*HEADER   DNA-BINDING PROTEIN                     08-MAY-95   1PRV    
*TITLE    PURINE REPRESSOR DNA-BINDING DOMAIN DNA BINDING             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: PURINE REPRESSOR;                                
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: DNA-BINDING;                                     
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  4 EXPRESSION_SYSTEM_STRAIN: BL21;                            
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: PAR2156NCOI;                    
*SOURCE  6 EXPRESSION_SYSTEM_GENE: PURR                               
*KEYWDS   PURINE REPRESSOR                                            
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   A.NAGADOI,S.MORIKAWA,H.NAKAMURA,M.ENARI,K.KOBAYASHI,        
*AUTHOR  2 H.YAMAMOTO,G.SAMPEI,K.MIZOBUCHI,M.A.SCHUMACHER,R.G.BRENNAN,
*AUTHOR  3 Y.NISHIMURA                                                
*REVDAT  1   08-MAR-96 1PRV    0  


RDDSTC> LIST
; 28 AUG.'94
; HA(I)-HN(I+1)
    1     3   THR   HA     1     4    ILE  HN  1.0  1.0 -2.0  5.0 
    1     4   ILE   HA     1     5    LYS+ HN  1.0  1.0 -2.0  5.0
    1     5   LYS+  HA     1     6    ASP- HN  1.0  1.0 -2.0  4.0
    1     6   ASP-  HA     1     7    VAL  HN  1.0  1.0 -2.0  5.0
    1     7   VAL   HA     1     8    ALA  HN  1.0  1.0 -2.0  4.0
    1     8   ALA   HA     1     9    LYS+ HN  1.0  1.0 -2.0  4.0
    1     9   LYS+  HA     1    10    ARG+ HN  1.0  1.0 -2.0  4.0
    1    10   ARG+  HA     1    11    ALA  HN  1.0  1.0 -2.0  4.0
    1    11   ALA   HA     1    12    ASN  HN  1.0  1.0 -2.0  4.0
    1    12   ASN   HA     1    13    VAL  HN  1.0  1.0 -2.0  4.0 ;O.L
    1    14   SER   HA     1    15    THR  HN  1.0  1.0 -2.0  5.0
    1    15   THR   HA     1    16    THR  HN  1.0  1.0 -2.0  5.0
    1    16   THR   HA     1    17    THR  HN  1.0  1.0 -2.0  4.0
    1    17   THR   HA     1    18    VAL  HN  1.0  1.0 -2.0  4.0
    1    18   VAL   HA     1    19    SER  HN  1.0  1.0 -2.0  4.0
    1    19   SER   HA     1    20    HIS  HN  1.0  1.0 -2.0  4.0  
    1    21   VAL   HA     1    22    ILE  HN  1.0  1.0 -2.0  4.0
    1    22   ILE   HA     1    23    ASN  HN  1.0  1.0 -2.0  4.0
    1    24   LYS+  HA     1    25    THR  HN  1.0  1.0 -2.0  4.0      
    1    25   THR   HA     1    26    ARG+ HN  1.0  1.0 -2.0  4.0
    1    26   ARG+  HA     1    27    PHE  HN  1.0  1.0 -2.0  3.0
    1    27   PHE   HA     1    28    VAL  HN  1.0  1.0 -2.0  3.0
    1    28   VAL   HA     1    29    ALA  HN  1.0  1.0 -2.0  3.0
    1    29   ALA   HA     1    30    GLU- HN  1.0  1.0 -2.0  3.0
    1    30   GLU-  HA     1    31    GLU- HN  1.0  1.0 -2.0  4.0
    1    31   GLU-  HA     1    32    THR  HN  1.0  1.0 -2.0  4.0
    1    32   THR   HA     1    33    ARG+ HN  1.0  1.0 -2.0  4.0
    1    33   ARG+  HA     1    34    ASN  HN  1.0  1.0 -2.0  4.0
    1    34   ASN   HA     1    35    ALA  HN  1.0  1.0 -2.0  5.0
    1    35   ALA   HA     1    36    VAL  HN  1.0  1.0 -2.0  4.0
    1    36   VAL   HA     1    37    TRP  HN  1.0  1.0 -2.0  5.0 ;O.L 
    1    37   TRP   HA     1    38    ALA  HN  1.0  1.0 -2.0  4.0
    1    38   ALA   HA     1    39    ALA  HN  1.0  1.0 -2.0  4.0
    1    39   ALA   HA     1    40    ILE  HN  1.0  1.0 -2.0  4.0
    1    40   ILE   HA     1    41    LYS+ HN  1.0  1.0 -2.0  4.0
    1    41   LYS+  HA     1    42    GLU- HN  1.0  1.0 -2.0  4.0
    1    42   GLU-  HA     1    43    LEU  HN  1.0  1.0 -2.0  5.0
    1    43   LEU   HA     1    44    HIS  HN  1.0  1.0 -2.0  5.0 ;O.L
    1    44   HIS   HA     1    45    TYR  HN  1.0  1.0 -2.0  3.0
    1    45   TYR   HA     1    46    SER  HN  1.0  1.0 -2.0  3.0   
; HN(I)-HN(I+1)
    1     4   ILE   HN     1    5     LYS+ HN  1.0  1.0 -2.0  3.0
    1     6   ASP-  HN     1    7     VAL  HN  1.0  1.0 -2.0  4.0   
    1     7   VAL   HN     1    8     ALA  HN  1.0  1.0 -2.0  3.0
    1     8   ALA   HN     1    9     LYS+ HN  1.0  1.0 -2.0  4.0
    1     9   LYS+  HN     1   10     ARG+ HN  1.0  1.0 -2.0  4.0
    1    10   ARG+  HN     1   11     ALA  HN  1.0  1.0 -2.0  3.0
    1    11   ALA   HN     1   12     ASN  HN  1.0  1.0 -2.0  5.0
    1    12   ASN   HN     1   13     VAL  HN  1.0  1.0 -2.0  4.0
    1    16   THR   HN     1   17     THR  HN  1.0  1.0 -2.0  3.0
    1    17   THR   HN     1   18     VAL  HN  1.0  1.0 -2.0  4.0  
    1    18   VAL   HN     1   19     SER  HN  1.0  1.0 -2.0  4.0
    1    19   SER   HN     1   20     HIS  HN  1.0  1.0 -2.0  3.0
    1    20   HIS   HN     1   21     VAL  HN  1.0  1.0 -2.0  5.0  
    1    22   ILE   HN     1   23     ASN  HN  1.0  1.0 -2.0  3.0
    1    23   ASN   HN     1   24     LYS+ HN  1.0  1.0 -2.0  3.0
    1    25   THR   HN     1   26     ARG+ HN  1.0  1.0 -2.0  3.0
    1    26   ARG+  HN     1   27     PHE  HN  1.0  1.0 -2.0  5.0
    1    27   PHE   HN     1   28     VAL  HN  1.0  1.0 -2.0  5.0
    1    28   VAL   HN     1   29     ALA  HN  1.0  1.0 -2.0  5.0
    1    29   ALA   HN     1   30     GLU- HN  1.0  1.0 -2.0  5.0 ;mod
    1    30   GLU-  HN     1   31     GLU- HN  1.0  1.0 -2.0  4.0
    1    31   GLU-  HN     1   32     THR  HN  1.0  1.0 -2.0  3.0
    1    32   THR   HN     1   33     ARG+ HN  1.0  1.0 -2.0  3.0
    1    33   ARG+  HN     1   34     ASN  HN  1.0  1.0 -2.0  5.0
    1    34   ASN   HN     1   35     ALA  HN  1.0  1.0 -2.0  3.0
    1    35   ALA   HN     1   36     VAL  HN  1.0  1.0 -2.0  3.0
    1    36   VAL   HN     1   37     TRP  HN  1.0  1.0 -2.0  3.0
    1    37   TRP   HN     1   38     ALA  HN  1.0  1.0 -2.0  3.0
    1    38   ALA   HN     1   39     ALA  HN  1.0  1.0 -2.0  3.0
    1    39   ALA   HN     1   40     ILE  HN  1.0  1.0 -2.0  3.0
    1    40   ILE   HN     1   41     LYS+ HN  1.0  1.0 -2.0  3.0
    1    41   LYS+  HN     1   42     GLU- HN  1.0  1.0 -2.0  3.0   
    1    42   GLU-  HN     1   43     LEU  HN  1.0  1.0 -2.0  3.0
    1    43   LEU   HN     1   44     HIS  HN  1.0  1.0 -2.0  4.0
    1    44   HIS   HN     1   45     TYR  HN  1.0  1.0 -2.0  4.0
    1    45   TYR   HN     1   46     SER  HN  1.0  1.0 -2.0  5.0
    1    50   VAL   HN     1   51     ALA  HN  1.0  1.0 -2.0  5.0
    1    51   ALA   HN     1   52     ARG+ HN  1.0  1.0 -2.0  4.0
    1    52   ARG+  HN     1   53     SER  HN  1.0  1.0 -2.0  4.0
; HB(I)-HN(I+1)
    1     3   THR   HB     1    4     ILE  HN  1.0  1.0 -2.0  4.0 ;mod
    1     4   ILE   HB     1    5     LYS+ HN  1.0  1.0 -2.0  4.0
    1     5   LYS+  HB1    1    6     ASP- HN  1.0  1.0 -2.0  5.0
    1     5   LYS+  HB2    1    6     ASP- HN  1.0  1.0 -2.0  3.0
    1     6   ASP-  HB1    1    7     VAL  HN  1.0  1.0 -2.0  3.0
    1     6   ASP-  HB2    1    7     VAL  HN  1.0  1.0 -2.0  5.0 ;mod
    1     7   VAL   HB     1    8     ALA  HN  1.0  1.0 -2.0  3.0
    1     8   ALA   HB*    1    9     LYS+ HN  1.0  1.0 -2.0  6.5 ;+1.5
    1     9   LYS+  HB1    1   10     ARG+ HN  1.0  1.0 -2.0  4.0
    1    10   ARG+  HB2    1   11     ALA  HN  1.0  1.0 -2.0  3.0
    1    11   ALA   HB*    1   12     ASN  HN  1.0  1.0 -2.0  6.5 ;+1.5
    1    12   ASN   HB1    1   13     VAL  HN  1.0  1.0 -2.0  5.0
    1    12   ASN   HB2    1   13     VAL  HN  1.0  1.0 -2.0  5.0
    1    13   VAL   HB     1   14     SER  HN  1.0  1.0 -2.0  4.0 ;mod
    1    14   SER   HB1    1   15     THR  HN  1.0  1.0 -2.0  5.0
    1    14   SER   HB2    1   15     THR  HN  1.0  1.0 -2.0  4.0
    1    15   THR   HB     1   16     THR  HN  1.0  1.0 -2.0  4.0
    1    16   THR   HB     1   17     THR  HN  1.0  1.0 -2.0  4.0
    1    17   THR   HB     1   18     VAL  HN  1.0  1.0 -2.0  5.0
    1    18   VAL   HB     1   19     SER  HN  1.0  1.0 -2.0  3.0
    1    19   SER   HB*    1   20     HIS  HN  1.0  1.0 -2.0  4.0 ;+1.0
    1    20   HIS   HB2    1   21     VAL  HN  1.0  1.0 -2.0  5.0
    1    20   HIS   HB1    1   21     VAL  HN  1.0  1.0 -2.0  3.0
    1    21   VAL   HB     1   22     ILE  HN  1.0  1.0 -2.0  3.0
    1    22   ILE   HB     1   23     ASN  HN  1.0  1.0 -2.0  3.0
    1    23   ASN   HB*    1   24     LYS+ HN  1.0  1.0 -2.0  5.0 ;+1.0
    1    25   THR   HB     1   26     ARG+ HN  1.0  1.0 -2.0  4.0   
    1    26   ARG+  HB*    1   27     PHE  HN  1.0  1.0 -2.0  5.0 ;+1.0
    1    27   PHE   HB1    1   28     VAL  HN  1.0  1.0 -2.0  5.0 
    1    27   PHE   HB2    1   28     VAL  HN  1.0  1.0 -2.0  5.0 ;mod
    1    28   VAL   HB     1   29     ALA  HN  1.0  1.0 -2.0  5.0 ;mod
    1    29   ALA   HB*    1   30     GLU- HN  1.0  1.0 -2.0  4.5 ;+1.5
    1    30   GLU-  HB*    1   31     GLU- HN  1.0  1.0 -2.0  6.0 ;+1.0
    1    30   GLU-  HB1    1   31     GLU- HN  1.0  1.0 -2.0  3.0
    1    30   GLU-  HB2    1   31     GLU- HN  1.0  1.0 -2.0  5.0 ;mod
    1    31   GLU-  HB*    1   32     THR  HN  1.0  1.0 -2.0  4.0 ;+1.0
    1    32   THR   HB     1   33     ARG+ HN  1.0  1.0 -2.0  4.0
    1    33   ARG+  HB1    1   34     ASN  HN  1.0  1.0 -2.0  4.0 ;mod
    1    33   ARG+  HB2    1   34     ASN  HN  1.0  1.0 -2.0  4.0 ;mod
    1    34   ASN   HB*    1   35     ALA  HN  1.0  1.0 -2.0  4.0 ;+1.0
    1    35   ALA   HB*    1   36     VAL  HN  1.0  1.0 -2.0  4.5 ;+1.5
    1    36   VAL   HB     1   37     TRP  HN  1.0  1.0 -2.0  3.0
    1    37   TRP   HB2    1   38     ALA  HN  1.0  1.0 -2.0  5.0 ;mod
    1    37   TRP   HB1    1   38     ALA  HN  1.0  1.0 -2.0  3.0
    1    38   ALA   HB*    1   39     ALA  HN  1.0  1.0 -2.0  5.5 ;+1.5
    1    39   ALA   HB*    1   40     ILE  HN  1.0  1.0 -2.0  4.5 ;+1.5
    1    40   ILE   HB     1   41     LYS+ HN  1.0  1.0 -2.0  3.0
    1    41   LYS+  HB*    1   42     GLU- HN  1.0  1.0 -2.0  5.0 ;+1.0 mod
    1    42   GLU-  HB1    1   43     LEU  HN  1.0  1.0 -2.0  5.0
    1    42   GLU-  HB2    1   43     LEU  HN  1.0  1.0 -2.0  4.0
    1    43   LEU   HB2    1   44     HIS  HN  1.0  1.0 -2.0  5.0
    1    43   LEU   HB1    1   44     HIS  HN  1.0  1.0 -2.0  4.0
    1    44   HIS   HB2    1   45     TYR  HN  1.0  1.0 -2.0  5.0
    1    44   HIS   HB1    1   45     TYR  HN  1.0  1.0 -2.0  4.0 ;mod
    1    45   TYR   HB1    1   46     SER  HN  1.0  1.0 -2.0  5.0    
    1    45   TYR   HB2    1   46     SER  HN  1.0  1.0 -2.0  5.0    
; HA(I)-HN(I+2)
    1     4   ILE   HA     1    6     ASP- HN  1.0  1.0 -2.0  5.0
    1     5   LYS+  HA     1    7     VAL  HN  1.0  1.0 -2.0  5.0
    1     7   VAL   HA     1    9     LYS+ HN  1.0  1.0 -2.0  5.0
    1     6   ASP-  HA     1    8     ALA  HN  1.0  1.0 -2.0  5.0
    1     9   LYS+  HA     1   11     ALA  HN  1.0  1.0 -2.0  5.0
    1    15   THR   HA     1   17     THR  HN  1.0  1.0 -2.0  5.0
    1    16   THR   HA     1   18     VAL  HN  1.0  1.0 -2.0  5.0   
    1    19   SER   HA     1   21     VAL  HN  1.0  1.0 -2.0  5.0
    1    22   ILE   HA     1   24     LYS+ HN  1.0  1.0 -2.0  5.0
    1    29   ALA   HA     1   31     GLU- HN  1.0  1.0 -2.0  5.0
    1    30   GLU-  HA     1   32     THR  HN  1.0  1.0 -2.0  5.0
    1    32   THR   HA     1   34     ASN  HN  1.0  1.0 -2.0  5.0
    1    33   ARG+  HA     1   35     ALA  HN  1.0  1.0 -2.0  5.0
    1    35   ALA   HA     1   37     TRP  HN  1.0  1.0 -2.0  5.0
    1    38   ALA   HA     1   40     ILE  HN  1.0  1.0 -2.0  5.0
    1    39   ALA   HA     1   41     LYS+ HN  1.0  1.0 -2.0  5.0
    1    40   ILE   HA     1   42     GLU- HN  1.0  1.0 -2.0  5.0
; HN(I)-HN(I+2)
    1     4   ILE   HN     1    6     ASP- HN  1.0  1.0 -2.0  5.0   
    1     7   VAL   HN     1    9     LYS+ HN  1.0  1.0 -2.0  5.0
    1    10   ARG+  HN     1   12     ASN  HN  1.0  1.0 -2.0  5.0
    1    18   VAL   HN     1   20     HIS  HN  1.0  1.0 -2.0  5.0
    1    19   SER   HN     1   21     VAL  HN  1.0  1.0 -2.0  5.0   
    1    21   VAL   HN     1   23     ASN  HN  1.0  1.0 -2.0  5.0
    1    23   ASN   HN     1   25     THR  HN  1.0  1.0 -2.0  5.0
    1    30   GLU-  HN     1   32     THR  HN  1.0  1.0 -2.0  5.0 
    1    31   GLU-  HN     1   33     ARG+ HN  1.0  1.0 -2.0  5.0   
    1    32   THR   HN     1   34     ASN  HN  1.0  1.0 -2.0  5.0
    1    33   ARG+  HN     1   35     ALA  HN  1.0  1.0 -2.0  5.0
    1    42   GLU-  HN     1   44     HIS  HN  1.0  1.0 -2.0  5.0
; HA(I)-HN(I+3)
    1     4   ILE   HA     1    7     VAL  HN  1.0  1.0 -2.0  5.0
    1     6   ASP-  HA     1    9     LYS+ HN  1.0  1.0 -2.0  4.0
    1     7   VAL   HA     1   10     ARG+ HN  1.0  1.0 -2.0  5.0
    1     8   ALA   HA     1   11     ALA  HN  1.0  1.0 -2.0  4.0
    1     9   LYS+  HA     1   12     ASN  HN  1.0  1.0 -2.0  5.0
    1    15   THR   HA     1   18     VAL  HN  1.0  1.0 -2.0  4.0
    1    16   THR   HA     1   19     SER  HN  1.0  1.0 -2.0  4.0
    1    17   THR   HA     1   20     HIS  HN  1.0  1.0 -2.0  4.0
    1    18   VAL   HA     1   21     VAL  HN  1.0  1.0 -2.0  4.0 ;mod
    1    19   SER   HA     1   22     ILE  HN  1.0  1.0 -2.0  4.0   
    1    21   VAL   HA     1   24     LYS+ HN  1.0  1.0 -2.0  4.0
    1    30   GLU-  HA     1   33     ARG+ HN  1.0  1.0 -2.0  4.0
    1    31   GLU-  HA     1   34     ASN  HN  1.0  1.0 -2.0  4.0
    1    32   THR   HA     1   35     ALA  HN  1.0  1.0 -2.0  4.0
    1    33   ARG+  HA     1   36     VAL  HN  1.0  1.0 -2.0  4.0
    1    36   VAL   HA     1   39     ALA  HN  1.0  1.0 -2.0  4.0
    1    37   TRP   HA     1   40     ILE  HN  1.0  1.0 -2.0  4.0
    1    38   ALA   HA     1   41     LYS+ HN  1.0  1.0 -2.0  4.0
    1    39   ALA   HA     1   42     GLU- HN  1.0  1.0 -2.0  4.0
    1    40   ILE   HA     1   43     LEU  HN  1.0  1.0 -2.0  5.0
    1    41   LYS+  HA     1   44     HIS  HN  1.0  1.0 -2.0  5.0
; HN(I)-HN(I+3)
    1     3   THR   HN     1    6     ASP- HN  1.0  1.0 -2.0  4.0   
    1    14   SER   HN     1   17     THR  HN  1.0  1.0 -2.0  4.0
    1    31   GLU-  HN     1   34     ASN  HN  1.0  1.0 -2.0  5.0
; HA(I)-HB(I+3)
    1     4   ILE   HA     1    7     VAL  HB  1.0  1.0 -2.0  5.0 ;S3 mod
    1     5   LYS+  HA     1    8     ALA  HB* 1.0  1.0 -2.0  5.5 ;+1.5
    1     6   ASP-  HA     1    9     LYS+ HB* 1.0  1.0 -2.0  5.0 ;1.0
    1     7   VAL   HA     1   10     ARG+ HB* 1.0  1.0 -2.0  5.0 ;1.0
    1     8   ALA   HA     1   11     ALA  HB* 1.0  1.0 -2.0  5.5 ;1.5   
    1     9   LYS+  HA     1   12     ASN  HB* 1.0  1.0 -2.0  6.0 ;1.0
    1    15   THR   HA     1   18     VAL  HB  1.0  1.0 -2.0  5.0   
    1    16   THR   HA     1   19     SER  HB* 1.0  1.0 -2.0  6.0 ;+1.0
    1    17   THR   HA     1   20     HIS  HB* 1.0  1.0 -2.0  6.0 ;1.0
    1    18   VAL   HA     1   21     VAL  HB  1.0  1.0 -2.0  4.0 
    1    19   SER   HA     1   22     ILE  HB  1.0  1.0 -2.0  4.0
    1    30   GLU-  HA     1   33     ARG+ HB* 1.0  1.0 -2.0  5.0 ;1.0
    1    31   GLU-  HA     1   34     ASN  HB* 1.0  1.0 -2.0  5.0 ;1.0
    1    32   THR   HA     1   35     ALA  HB* 1.0  1.0 -2.0  5.5 ;1.5
    1    33   ARG+  HA     1   36     VAL  HB  1.0  1.0 -2.0  4.0
    1    34   ASN   HA     1   37     TRP  HB* 1.0  1.0 -2.0  6.0 ;1.0
    1    35   ALA   HA     1   38     ALA  HB* 1.0  1.0 -2.0  5.5 ;1.5
    1    36   VAL   HA     1   39     ALA  HB* 1.0  1.0 -2.0  5.5 ;1.5
    1    37   TRP   HA     1   40     ILE  HB  1.0  1.0 -2.0  4.0 ;m
    1    38   ALA   HA     1   41     LYS+ HB* 1.0  1.0 -2.0  6.0 ;1.0 mod
    1    39   ALA   HA     1   42     GLU- HB* 1.0  1.0 -2.0  5.0 ;1.0
    1    40   ILE   HA     1   43     LEU  HB* 1.0  1.0 -2.0  6.0 ;1.0
; HA(I)-HN(I+4)
    1     4   ILE   HA     1    8     ALA  HN  1.0  1.0 -2.0  5.0 ; mod
    1     5   LYS+  HA     1    9     LYS+ HN  1.0  1.0 -2.0  5.0
    1     6   ASP-  HA     1   10     ARG+ HN  1.0  1.0 -2.0  5.0
    1     7   VAL   HA     1   11     ALA  HN  1.0  1.0 -2.0  5.0
    1     8   ALA   HA     1   12     ASN  HN  1.0  1.0 -2.0  5.0 
    1     9   LYS+  HA     1   13     VAL  HN  1.0  1.0 -2.0  5.0
    1    15   THR   HA     1   19     SER  HN  1.0  1.0 -2.0  5.0   
    1    16   THR   HA     1   20     HIS  HN  1.0  1.0 -2.0  5.0
    1    17   THR   HA     1   21     VAL  HN  1.0  1.0 -2.0  5.0
    1    18   VAL   HA     1   22     ILE  HN  1.0  1.0 -2.0  5.0
    1    19   SER   HA     1   23     ASN  HN  1.0  1.0 -2.0  5.0 ; mod
    1    21   VAL   HA     1   25     THR  HN  1.0  1.0 -2.0  5.0
    1    30   GLU-  HA     1   34     ASN  HN  1.0  1.0 -2.0  5.0 ; mod
    1    31   GLU-  HA     1   35     ALA  HN  1.0  1.0 -2.0  5.0
    1    32   THR   HA     1   36     VAL  HN  1.0  1.0 -2.0  5.0
    1    33   ARG+  HA     1   37     TRP  HN  1.0  1.0 -2.0  5.0
    1    34   ASN   HA     1   38     ALA  HN  1.0  1.0 -2.0  5.0
    1    35   ALA   HA     1   39     ALA  HN  1.0  1.0 -2.0  5.0
    1    36   VAL   HA     1   40     ILE  HN  1.0  1.0 -2.0  5.0
    1    37   TRP   HA     1   41     LYS+ HN  1.0  1.0 -2.0  5.0
    1    38   ALA   HA     1   42     GLU- HN  1.0  1.0 -2.0  5.0
    1    39   ALA   HA     1   43     LEU  HN  1.0  1.0 -2.0  5.0 ; mod
    1    41   LYS+  HA     1   45     TYR  HN  1.0  1.0 -2.0  5.0
;OTHERS
    1    3   THR   HN     1   45     TYR  HA   1.0  1.0 -2.0  5.0 ; mod
    1    3   THR   HB     1   45     TYR  HD*  1.0  1.0 -2.0  7.0 ;+2.0 ;S1
    1    3   THR   HB     1   45     TYR  HE*  1.0  1.0 -2.0  7.0 ;+2.0 ;S1
    1   29   ALA   HN     1   27     PHE  HE*  1.0  1.0 -2.0  7.0 ;+2.0
    1   29   ALA   HN     1   27     PHE  HD*  1.0  1.0 -2.0  7.0 ;+2.0
    1   28   VAL   HA     1   27     PHE  HD*  1.0  1.0 -2.0  6.0 ;2.0
    1   14   SER   HN     1   12     ASN  HD2* 1.0  1.0 -2.0  7.0 ;+2.0
    1   36   VAL   HN     1   37     TRP  HD1  1.0  1.0 -2.0  6.0 ;mod
    1   24   LYS+  HN     1   23     ASN  HD2* 1.0  1.0 -2.0  7.0 ;+2.0
    1   19   SER   HN     1   20     HIS  HD2  1.0  1.0 -2.0  5.0
    1   21   VAL   HN     1   20     HIS  HD2  1.0  1.0 -2.0  5.0
    1   46   SER   HN     1   45     TYR  HE*  1.0  1.0 -2.0  7.0 ;+2.0
    1   46   SER   HN     1   45     TYR  HD*  1.0  1.0 -2.0  6.0 ;+2.0
    1   47   PRO   HB*    1   48     SER  HA   1.0  1.0 -2.0  6.0 ;+1.0
    1    3   THR   HB     1    4     ILE  HB   1.0  1.0 -2.0  5.0
    1    3   THR   HG2*   1    4     ILE  HN   1.0  1.0 -2.0  5.5 ;+1.5
    1   19   SER   HA     1   23     ASN  HD2* 1.0  1.0 -2.0  7.0 ;+2.0
    1   19   SER   HB*    1   23     ASN  HD2* 1.0  1.0 -2.0  6.0 ;+2.0
    1   21   VAL   HA     1   23     ASN  HN   1.0  1.0 -2.0  5.0
    1   15   THR   HA     1    8     ALA  HN   1.0  1.0 -2.0  6.0 ;mod
    1   16   THR   HA     1   20     HIS  HD2  1.0  1.0 -2.0  5.0
    1   14   SER   HB*    1   16     THR  HN   1.0  1.0 -2.0  5.0 ;+1.0
    1   24   LYS+  HA     1   23     ASN  HN   1.0  1.0 -2.0  5.0
    1   29   ALA   HA     1   27     PHE  HD*  1.0  1.0 -2.0  7.0 ;2.0
    1   29   ALA   HA     1   27     PHE  HE*  1.0  1.0 -2.0  6.0 ;2.0
    1    5   LYS+  HB*    1    4     ILE  HN   1.0  1.0 -2.0  6.0 ;+1.0
    1   29   ALA   HB*    1   31     GLU- HN   1.0  1.0 -2.0  4.5 ;+1.5
    1   37   TRP   HH2    1   22     ILE  HG2* 1.0  1.0 -2.0  6.5 ;1.5
    1   37   TRP   HH2    1   40     ILE  HG2* 1.0  1.0 -2.0  7.5 ;1.5 mod
    1   37   TRP   HZ2    1   22     ILE  HA   1.0  1.0 -2.0  4.0
    1   37   TRP   HZ2    1   21     VAL  HG1* 1.0  1.0 -2.0  5.5 ;1.5
    1   37   TRP   HZ2    1   22     ILE  HG2* 1.0  1.0 -2.0  5.5 ;1.5
    1   37   TRP   HE3    1   40     ILE  HD1* 1.0  1.0 -2.0  5.5 ;1.5
    1   37   TRP   HE3    1   40     ILE  HG1* 1.0  1.0 -2.0  6.0 ;1.0
    1   37   TRP   HE3    1   40     ILE  HG2* 1.0  1.0 -2.0  5.5 ;1.5
    1   37   TRP   HE3    1   40     ILE  HB   1.0  1.0 -2.0  4.0
    1   37   TRP   HD1    1   21     VAL  HG1* 1.0  1.0 -2.0  5.5 ;1.5
    1   37   TRP   HD1    1   33     ARG+ HB*  1.0  1.0 -2.0  6.0 ;1.0
    1   37   TRP   HD1    1   33     ARG+ HG*  1.0  1.0 -2.0  6.0 ;1.0
    1   37   TRP   HD1    1   36     VAL  HB   1.0  1.0 -2.0  6.0 ;mod
    1   37   TRP   HD1    1   34     ASN  HB*  1.0  1.0 -2.0  7.0 ;1.0 mod
    1   37   TRP   HD1    1   33     ARG+ HA   1.0  1.0 -2.0  5.0
    1   37   TRP   HD1    1   34     ASN  HA   1.0  1.0 -2.0  5.0
    1   37   TRP   HZ3    1   40     ILE  HD1* 1.0  1.0 -2.0  5.5 ;1.5
    1   37   TRP   HZ3    1   40     ILE  HG1* 1.0  1.0 -2.0  6.0 ;1.0,mod
    1   45   TYR   HE*    1   40     ILE  HD1* 1.0  1.0 -2.0  8.5 ;2.0,1.5
    1   45   TYR   HE*    1    7     VAL  HG1* 1.0  1.0 -2.0  8.5 ;2.0,1.5
    1   45   TYR   HE*    1    4     ILE  HD1* 1.0  1.0 -2.0  7.5 ;2.0,1.5
    1   45   TYR   HE*    1    4     ILE  HG2* 1.0  1.0 -2.0  8.5 ;2.0,1.5
    1   45   TYR   HE*    1    4     ILE  HG1* 1.0  1.0 -2.0  8.0 ;2.0,1.0
    1   45   TYR   HE*    1    3     THR  HG2* 1.0  1.0 -2.0  8.5 ;2.0,1.5
    1   45   TYR   HE*    1    5     LYS+ HG*  1.0  1.0 -2.0  8.0 ;2.0,1.0
    1   45   TYR   HE*    1   40     ILE  HG1* 1.0  1.0 -2.0  8.0 ;2.0,1.0
    1   45   TYR   HE*    1    4     ILE  HA   1.0  1.0 -2.0  7.0 ;2.0
    1   45   TYR   HE*    1   47     PRO  HA   1.0  1.0 -2.0  8.0 ;2.0 ;key
    1   45   TYR   HD*    1   40     ILE  HD1* 1.0  1.0 -2.0  7.5 ;2.0,1.5
    1   45   TYR   HD*    1    7     VAL  HG2* 1.0  1.0 -2.0  7.5 ;2.0,1.5
    1   45   TYR   HD*    1    7     VAL  HG1* 1.0  1.0 -2.0  8.5 ;2.0,1.5
    1   45   TYR   HD*    1    4     ILE  HD1* 1.0  1.0 -2.0  8.5 ;2.0,1.5
    1   45   TYR   HD*    1    4     ILE  HG2* 1.0  1.0 -2.0  8.5 ;2.0,1.5
    1   45   TYR   HD*    1    4     ILE  HG1* 1.0  1.0 -2.0  8.0 ;2.0,1.0
    1   45   TYR   HD*    1    4     ILE  HG1* 1.0  1.0 -2.0  7.0 ;2.0,1.0
    1   45   TYR   HD*    1    5     LYS+ HG*  1.0  1.0 -2.0  8.0 ;2.0,1.0
    1   45   TYR   HD*    1   40     ILE  HG1* 1.0  1.0 -2.0  7.0 ;2.0,1.0
    1   45   TYR   HD*    1    4     ILE  HA   1.0  1.0 -2.0  7.0 ;2.0
    1   45   TYR   HD*    1   40     ILE  HA   1.0  1.0 -2.0  7.0 ;2.0
    1   45   TYR   HD*    1   47     PRO  HA   1.0  1.0 -2.0  7.0 ;2.0 ;key
    1   20   HIS   HD2    1   28     VAL  HG*  1.0  1.0 -2.0  8.9 ;3.9
    1   20   HIS   HD2    1   16     THR  HG2* 1.0  1.0 -2.0  6.5 ;1.5 mod
    1   20   HIS   HD2    1   26     ARG+ HB*  1.0  1.0 -2.0  7.0 ;2.0 mod
    1   20   HIS   HD2    1   17     THR  HA   1.0  1.0 -2.0  5.0 ; mod
    1   20   HIS   HD2    1   16     THR  HB   1.0  1.0 -2.0  6.0 ; mod
    1   20   HIS   HD2    1   16     THR  HA   1.0  1.0 -2.0  5.0
    1   20   HIS   HD2    1   25     THR  HB   1.0  1.0 -2.0  6.0 ;mod
    1   23   ASN   HD2*   1   22     ILE  HG2* 1.0  1.0 -2.0  8.5 ;2.0,1.5
    1   23   ASN   HD2*   1   25     THR  HG2* 1.0  1.0 -2.0  8.5 ;2.0,1.5
    1   23   ASN   HD2*   1   22     ILE  HB   1.0  1.0 -2.0  7.0 ;2.0
    1   31   GLU-  HG*    1   32     THR  HN   1.0  1.0 -2.0  5.0 ;1.0
    1   28   VAL   HG*    1   32     THR  HN   1.0  1.0 -2.0  7.9 ;3.9
    1   28   VAL   HB     1   32     THR  HN   1.0  1.0 -2.0  4.0 ;mod
    1   33   ARG+  HB*    1   32     THR  HN   1.0  1.0 -2.0  6.0 ;1.0
    1   30   GLU-  HG*    1   34     ASN  HD2* 1.0  1.0 -2.0  8.0 ;1.0,2.0 mod
    1   27   PHE   HD*    1   28     VAL  HA   1.0  1.0 -2.0  7.0 ;2.0 mod
    1   27   PHE   HD*    1   28     VAL  HB   1.0  1.0 -2.0  7.0 ;2.0
    1   37   TRP   HE1    1   21     VAL  HG1* 1.0  1.0 -2.0  4.5 ;1.5
    1   37   TRP   HE1    1   21     VAL  HG2* 1.0  1.0 -2.0  6.5 ;1.5
    1   37   TRP   HE1    1   33     ARG+ HB*  1.0  1.0 -2.0  6.0 ;1.0 mod
    1   37   TRP   HE1    1   21     VAL  HB   1.0  1.0 -2.0  6.0 ;mod
    1   37   TRP   HE1    1   33     ARG+ HD*  1.0  1.0 -2.0  6.0 ;1.0
    1   37   TRP   HE1    1   21     VAL  HA   1.0  1.0 -2.0  6.0 ; mod
    1   37   TRP   HE1    1   22     ILE  HA   1.0  1.0 -2.0  6.0 ; mod
    1   31   GLU-  HN     1   28     VAL  HG*  1.0  1.0 -2.0  8.9 ;3.9
    1   31   GLU-  HN     1   34     ASN  HB*  1.0  1.0 -2.0  6.0 ;1.0
    1   15   THR   HN     1    9     LYS+ HG*  1.0  1.0 -2.0  6.0 ;1.0 mod
    1   30   GLU-  HN     1   28     VAL  HG*  1.0  1.0 -2.0  8.9 ;3.9
    1    4   ILE   HN     1    7     VAL  HG2* 1.0  1.0 -2.0  7.5 ;1.5 mod
    1   37   TRP   HN     1   38     ALA  HB*  1.0  1.0 -2.0  6.5 ;1.5
    1   37   TRP   HN     1   21     VAL  HG2* 1.0  1.0 -2.0  7.5 ;1.5 mod
    1   37   TRP   HN     1   21     VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5 mod
    1   37   TRP   HN     1   36     VAL  HG2* 1.0  1.0 -2.0  6.5 ;1.5 mod
    1   37   TRP   HN     1   36     VAL  HG1* 1.0  1.0 -2.0  5.5 ;1.5 mod
    1   37   TRP   HN     1   40     ILE  HD1* 1.0  1.0 -2.0  7.5 ;1.5 mod
    1   34   ASN   HN     1   30     GLU- HG*  1.0  1.0 -2.0  7.0 ;1.0 mod
    1   34   ASN   HN     1   33     ARG+ HB*  1.0  1.0 -2.0  6.0 ;1.0
    1   23   ASN   HN     1   21     VAL  HB   1.0  1.0 -2.0  6.0 ; mod
    1   23   ASN   HN     1   22     ILE  HG1* 1.0  1.0 -2.0  6.0 ;1.0 mod
    1   23   ASN   HN     1   25     THR  HG2* 1.0  1.0 -2.0  6.5 ;1.5
    1   23   ASN   HN     1   22     ILE  HG2* 1.0  1.0 -2.0  5.5 ;1.5
    1   23   ASN   HN     1   22     ILE  HD1* 1.0  1.0 -2.0  6.5 ;1.5
    1   23   ASN   HN     1   21     VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5
    1   27   PHE   HN     1   28     VAL  HG*  1.0  1.0 -2.0  8.9 ;3.9
    1   40   ILE   HN     1    7     VAL  HG2* 1.0  1.0 -2.0  7.5 ;1.5 mod
    1   40   ILE   HN     1    7     VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5 mod
    1   40   ILE   HN     1   36     VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5 mod
    1   33   ARG+  HN     1   34     ASN  HB*  1.0  1.0 -2.0  6.0 ;1.0
    1   33   ARG+  HN     1   31     GLU- HB*  1.0  1.0 -2.0  6.0 ;1.0
    1   33   ARG+  HN     1   21     VAL  HG1* 1.0  1.0 -2.0  7.5 ;1.5 mod
    1   33   ARG+  HN     1   21     VAL  HG2* 1.0  1.0 -2.0  6.5 ;1.5
    1   33   ARG+  HN     1   32     THR  HG2* 1.0  1.0 -2.0  5.5 ;1.5
    1   29   ALA   HN     1   28     VAL  HG*  1.0  1.0 -2.0  6.9 ;3.9
    1   42   GLU-  HN     1   40     ILE  HG2* 1.0  1.0 -2.0  6.5 ;1.5
    1   42   GLU-  HN     1   43     LEU  HD*  1.0  1.0 -2.0  8.9 ;3.9
    1   38   ALA   HN     1   34     ASN  HB*  1.0  1.0 -2.0  7.0 ;1.0 mod
    1   38   ALA   HN     1   36     VAL  HB   1.0  1.0 -2.0  6.0 ; mod
    1   38   ALA   HN     1   36     VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5
    1   38   ALA   HN     1   36     VAL  HG2* 1.0  1.0 -2.0  6.5 ;1.5
    1   14   SER   HN     1   13     VAL  HG1* 1.0  1.0 -2.0  5.5 ;1.5
    1   14   SER   HN     1   13     VAL  HG2* 1.0  1.0 -2.0  5.5 ;1.5
    1   14   SER   HN     1    9     LYS+ HG*  1.0  1.0 -2.0  7.0 ;1.0 mod
    1   14   SER   HN     1   13     VAL  HB   1.0  1.0 -2.0  3.0
    1   14   SER   HN     1   17     THR  HB   1.0  1.0 -2.0  4.0 ; mod
    1   36   VAL   HN     1   21     VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5
    1   36   VAL   HN     1   21     VAL  HG2* 1.0  1.0 -2.0  6.5 ;1.5
    1   36   VAL   HN     1   32     THR  HG2* 1.0  1.0 -2.0  6.5 ;1.5
    1   36   VAL   HN     1   11     ALA  HB*  1.0  1.0 -2.0  6.5 ;1.5 mod
    1   21   VAL   HN     1   36     VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5 mod
    1   21   VAL   HN     1   36     VAL  HG2* 1.0  1.0 -2.0  6.5 ;1.5 mod
    1   43   LEU   HA     1   44     HIS  HD2  1.0  1.0 -2.0  6.0 ;1.0
;
; ADDITION 941020
; 940919
; HA(I)-HN(I+1)
    1    45   TYR   HE*    1    47    PRO  HB*  1.0  1.0 -2.0  8.0 ;1.0,2.0
    1    45   TYR   HE*    1    47    PRO  HG*  1.0  1.0 -2.0  7.0 ;1.0,2.0
    1    45   TYR   HD*    1    47    PRO  HG*  1.0  1.0 -2.0  7.0 ;1.0,2.0
    1    45   TYR   HE*    1    47    PRO  HD*  1.0  1.0 -2.0  8.0 ;1.0,2.0
    1    45   TYR   HD*    1    47    PRO  HD*  1.0  1.0 -2.0  8.0 ;1.0,2.0
    1    40   ILE   HG12   1    41    LYS+  HN  1.0  1.0 -2.0  6.0 ;mod
    1    40   ILE   HG11   1    41    LYS+  HN  1.0  1.0 -2.0  6.0 ;mod
    1    40   ILE   HG1*   1    39    ALA   HN  1.0  1.0 -2.0  7.0 ;1.0 mod
    1     7   VAL   HG2*   1     6    ASP-  HN  1.0  1.0 -2.0  6.5 ;1.5 mod
    1     7   VAL   HG2*   1     5    LYS+  HN  1.0  1.0 -2.0  7.5 ;1.5 mod
    1     7   VAL   HG*    1    43    LEU   HN  1.0  1.0 -2.0  8.9 ;3.9
    1     7   VAL   HG1*   1    10    ARG+  HN  1.0  1.0 -2.0  6.5 ;1.5
    1    40   ILE   HD1*   1    41    LYS+  HN  1.0  1.0 -2.0  5.5 ;1.5
    1    13   VAL   HG*    1    12    ASN   HN  1.0  1.0 -2.0  8.9 ;3.9
    1    27   PHE    HD*   1    29    ALA   HA  1.0  1.0 -2.0  6.0 ;2.0
    1    27   PHE    HE*   1    29    ALA   HA  1.0  1.0 -2.0  7.0 ;2.0
    1    37   TRP    HH2   1    40    ILE  HD1* 1.0  1.0 -2.0  6.5 ;1.5
    1    37   TRP    HH2   1    22    ILE   HA  1.0  1.0 -2.0  5.0 ; mod
    1    37   TRP    HH2   1    21    VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5
    1    37   TRP    HH2   1    21    VAL  HG2* 1.0  1.0 -2.0  7.5 ;1.5 mod
    1     4   ILE    HA    1     7    VAL  HG2* 1.0  1.0 -2.0  5.5 ;1.5
    1     4   ILE    HA    1     7    VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5 mod
    1    15   THR    HA    1    18    VAL  HG1* 1.0  1.0 -2.0  6.5 ;1.5
    1    15   THR    HA    1    18    VAL  HG2* 1.0  1.0 -2.0  4.5 ;1.5 mod
    1    43   LEU    HB*   1    44    HIS   HN  1.0  1.0 -2.0  6.0 ;1.0
    1    41   LYS+   HG*   1    42    GLU-  HN  1.0  1.0 -2.0  6.0 ;1.0
    1    41   LYS+   HD*   1    42    GLU-  HN  1.0  1.0 -2.0  6.0 ;1.0
    1    42   GLU-   HB*   1    43    LEU   HN  1.0  1.0 -2.0  4.0 ;1.0
    1    42   GLU-   HG*   1    43    LEU   HN  1.0  1.0 -2.0  6.0 ;1.0
    1    45   TYR    HB*   1    44    HIS   HN  1.0  1.0 -2.0  6.0 ;1.0
    1    13   VAL    HB    1    17    THR   HN  1.0  1.0 -2.0  5.0
    1    40   ILE    HB    1    39    ALA   HN  1.0  1.0 -2.0  5.0
    1    10   ARG+   HB*   1    12    ASN   HN  1.0  1.0 -2.0  6.0 ;1.0 mod
    1    40   ILE    HG1*  1    41    LYS+  HN  1.0  1.0 -2.0  6.0 ;1.0 mod
    1    41   LYS+   HN    1    42    GLU-  HA  1.0  1.0 -2.0  5.0
    1    7    VAL    HG1*  1    8     ALA   HN  1.0  1.0 -2.0  5.5 ;1.5
    1    7    VAL    HG2*  1    8     ALA   HN  1.0  1.0 -2.0  6.5 ;1.5
    1    43   LEU    HD*   1    7     VAL   HN  1.0  1.0 -2.0  8.9 ;3.9 mod
;
; 941021 
    1   15    THR    HB    1    4     ILE  HD1* 1.0  1.0 -2.00 5.50 
    1   15    THR    HB    1    4     ILE  HG2* 1.0  1.0 -2.00 6.50 
    1   15    THR    HB    1    4     ILE  HG1* 1.0  1.0 -2.00 6.00 
END
RDDSTC> STOP

                                    
  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  466 H/Q atoms
  Start of MODEL    1
    1   1H    MET   1          3H        MET   1  -3.635  18.529  -3.050
    2   2H    MET   1          2H        MET   1  -4.473  18.229  -1.659
    3   3H    MET   1          1H        MET   1  -3.970  19.762  -2.008
    4    HA   MET   1           HA       MET   1  -2.572  18.868  -0.341
    5   1HB   MET   1          2HB       MET   1  -3.004  16.485  -0.937
    6   2HB   MET   1          1HB       MET   1  -1.998  16.687  -2.390
    7   1HG   MET   1          2HG       MET   1  -0.036  17.138  -1.063
    8   2HG   MET   1          1HG       MET   1  -0.996  17.274   0.419
    9   1HE   MET   1          1HE       MET   1   0.467  14.962  -2.328
   10   2HE   MET   1          3HE       MET   1  -0.078  13.340  -1.842
   11   3HE   MET   1          2HE       MET   1  -1.253  14.523  -2.458
   12    H    ALA   2           H        ALA   2  -0.483  19.701  -0.235
   13    HA   ALA   2           HA       ALA   2   1.065  20.148  -2.669
   14   1HB   ALA   2          1HB       ALA   2  -0.557  22.026  -2.738
   15   2HB   ALA   2          3HB       ALA   2  -0.070  22.499  -1.093
   16   3HB   ALA   2          2HB       ALA   2   1.095  22.603  -2.432
   17    H    THR   3           H        THR   3   3.200  21.234  -2.093
   18    HA   THR   3           HA       THR   3   3.930  21.226   0.745
   19    HB   THR   3           HB       THR   3   5.204  19.150  -1.095
   20    HG1  THR   3           HG1      THR   3   3.093  19.023   0.754
   21   1HG2  THR   3          1HG2      THR   3   5.411  19.695   1.900
   22   2HG2  THR   3          2HG2      THR   3   6.183  18.340   1.044
   23   3HG2  THR   3          3HG2      THR   3   6.677  20.011   0.690
   24    H    ILE   4           H        ILE   4   5.579  20.727  -2.457
   25    HA   ILE   4           HA       ILE   4   6.879  23.347  -2.209
   26    HB   ILE   4           HB       ILE   4   8.135  21.338  -0.928
   27   1HG1  ILE   4          1HG1      ILE   4   8.913  23.607  -0.827
   28   2HG1  ILE   4          2HG1      ILE   4  10.285  22.596  -1.325
   29   1HG2  ILE   4          3HG2      ILE   4   8.364  19.907  -2.914
   30   2HG2  ILE   4          2HG2      ILE   4   9.252  21.192  -3.763
   31   3HG2  ILE   4          1HG2      ILE   4   9.955  20.430  -2.322
   32   1HD1  ILE   4          3HD1      ILE   4   9.749  23.232  -3.735
   33   2HD1  ILE   4          2HD1      ILE   4   8.581  24.405  -3.088
   34   3HD1  ILE   4          1HD1      ILE   4  10.306  24.569  -2.710
   35    H    LYS   5           H        LYS   5   6.538  20.246  -3.948
   36    HA   LYS   5           HA       LYS   5   7.689  20.934  -6.402
   37   1HB   LYS   5          1HB       LYS   5   7.100  18.666  -5.922
   38   2HB   LYS   5          2HB       LYS   5   5.403  19.092  -5.613
   39   1HG   LYS   5          1HG       LYS   5   5.081  19.687  -7.971
   40   2HG   LYS   5          2HG       LYS   5   6.796  19.363  -8.315
   41   1HD   LYS   5          2HD       LYS   5   4.942  17.251  -7.140
   42   2HD   LYS   5          1HD       LYS   5   5.102  17.497  -8.895
   43   1HE   LYS   5          2HE       LYS   5   7.570  17.142  -8.692
   44   2HE   LYS   5          1HE       LYS   5   7.362  16.811  -6.959
   45   1HZ   LYS   5          3HZ       LYS   5   5.951  14.975  -7.543
   46   2HZ   LYS   5          1HZ       LYS   5   6.152  15.278  -9.152
   47   3HZ   LYS   5          2HZ       LYS   5   7.439  14.805  -8.235
   48    H    ASP   6           H        ASP   6   4.411  21.575  -5.147
   49    HA   ASP   6           HA       ASP   6   3.091  22.286  -7.486
   50   1HB   ASP   6          1HB       ASP   6   2.733  23.781  -4.872
   51   2HB   ASP   6          2HB       ASP   6   1.507  23.347  -6.078
   52    H    VAL   7           H        VAL   7   4.572  24.683  -5.212
   53    HA   VAL   7           HA       VAL   7   4.296  26.823  -7.108
   54    HB   VAL   7           HB       VAL   7   5.942  26.590  -4.561
   55   1HG1  VAL   7          1HG1      VAL   7   5.266  28.932  -6.369
   56   2HG1  VAL   7          2HG1      VAL   7   5.734  29.143  -4.667
   57   3HG1  VAL   7          3HG1      VAL   7   6.871  28.400  -5.813
   58   1HG2  VAL   7          3HG2      VAL   7   3.449  26.309  -4.328
   59   2HG2  VAL   7          2HG2      VAL   7   4.061  27.775  -3.535
   60   3HG2  VAL   7          1HG2      VAL   7   3.240  27.893  -5.108
   61    H    ALA   8           H        ALA   8   6.901  24.509  -6.358
   62    HA   ALA   8           HA       ALA   8   9.015  25.936  -7.603
   63   1HB   ALA   8          3HB       ALA   8   8.527  22.943  -7.320
   64   2HB   ALA   8          1HB       ALA   8  10.072  23.685  -7.781
   65   3HB   ALA   8          2HB       ALA   8   9.391  23.989  -6.169
   66    H    LYS   9           H        LYS   9   6.563  23.667  -8.917
   67    HA   LYS   9           HA       LYS   9   7.699  23.783 -11.609
   68   1HB   LYS   9          1HB       LYS   9   5.172  22.584 -10.406
   69   2HB   LYS   9          2HB       LYS   9   5.573  22.473 -12.134
   70   1HG   LYS   9          2HG       LYS   9   7.638  21.647 -10.091
   71   2HG   LYS   9          1HG       LYS   9   6.297  20.542 -10.467
   72   1HD   LYS   9          2HD       LYS   9   6.867  20.564 -12.841
   73   2HD   LYS   9          1HD       LYS   9   8.126  21.789 -12.570
   74   1HE   LYS   9          1HE       LYS   9   8.124  19.031 -11.268
   75   2HE   LYS   9          2HE       LYS   9   8.992  19.418 -12.768
   76   1HZ   LYS   9          3HZ       LYS   9  10.173  21.126 -11.526
   77   2HZ   LYS   9          1HZ       LYS   9   9.435  20.635 -10.134
   78   3HZ   LYS   9          2HZ       LYS   9  10.447  19.609 -10.932
   79    H    ARG  10           H        ARG  10   5.118  25.415  -9.773
   80    HA   ARG  10           HA       ARG  10   3.813  26.486 -12.128
   81   1HB   ARG  10          1HB       ARG  10   2.764  26.047  -9.845
   82   2HB   ARG  10          2HB       ARG  10   3.635  27.480  -9.259
   83   1HG   ARG  10          1HG       ARG  10   1.846  28.681  -9.966
   84   2HG   ARG  10          2HG       ARG  10   2.433  28.387 -11.618
   85   1HD   ARG  10          2HD       ARG  10   0.522  26.572 -10.082
   86   2HD   ARG  10          1HD       ARG  10   0.034  27.751 -11.320
   87    HE   ARG  10           HE       ARG  10   1.942  26.179 -12.576
   88   1HH1  ARG  10          1HH2      ARG  10  -1.161  25.644 -10.958
   89   2HH1  ARG  10          2HH2      ARG  10  -1.548  24.208 -11.876
   90   1HH2  ARG  10          2HH1      ARG  10   1.433  24.279 -13.780
   91   2HH2  ARG  10          1HH1      ARG  10  -0.079  23.445 -13.505
   92    H    ALA  11           H        ALA  11   6.069  27.828  -9.652
   93    HA   ALA  11           HA       ALA  11   6.098  30.434 -10.956
   94   1HB   ALA  11          3HB       ALA  11   6.272  30.168  -8.498
   95   2HB   ALA  11          2HB       ALA  11   7.808  29.295  -8.706
   96   3HB   ALA  11          1HB       ALA  11   7.689  31.007  -9.173
   97    H    ASN  12           H        ASN  12   8.460  27.728 -10.494
   98    HA   ASN  12           HA       ASN  12  10.038  28.887 -12.752
   99   1HB   ASN  12          1HB       ASN  12  11.147  27.352 -10.369
  100   2HB   ASN  12          2HB       ASN  12  12.056  28.228 -11.620
  101   1HD2  ASN  12          1HD2      ASN  12  10.660  30.158  -8.311
  102   2HD2  ASN  12          2HD2      ASN  12  10.432  28.443  -8.566
  103    H    VAL  13           H        VAL  13  11.840  26.484 -12.375
  104    HA   VAL  13           HA       VAL  13  10.180  24.571 -13.925
  105    HB   VAL  13           HB       VAL  13  13.208  24.868 -13.663
  106   1HG1  VAL  13          3HG1      VAL  13  11.456  23.087 -15.417
  107   2HG1  VAL  13          1HG1      VAL  13  13.209  23.300 -15.630
  108   3HG1  VAL  13          2HG1      VAL  13  12.580  22.552 -14.146
  109   1HG2  VAL  13          2HG2      VAL  13  11.255  25.635 -15.882
  110   2HG2  VAL  13          3HG2      VAL  13  12.219  26.752 -14.885
  111   3HG2  VAL  13          1HG2      VAL  13  13.027  25.663 -16.035
  112    H    SER  14           H        SER  14  12.464  24.856 -11.162
  113    HA   SER  14           HA       SER  14  11.186  22.556  -9.886
  114   1HB   SER  14          2HB       SER  14  12.994  21.637 -11.460
  115   2HB   SER  14          1HB       SER  14  14.180  22.455 -10.415
  116    HG   SER  14           HG       SER  14  13.855  20.334  -9.717
  117    H    THR  15           H        THR  15  12.511  22.100  -7.744
  118    HA   THR  15           HA       THR  15  12.327  24.450  -6.169
  119    HB   THR  15           HB       THR  15  13.865  21.906  -5.505
  120    HG1  THR  15           HG1      THR  15  11.083  22.460  -5.335
  121   1HG2  THR  15          3HG2      THR  15  12.354  23.988  -3.864
  122   2HG2  THR  15          2HG2      THR  15  12.931  22.436  -3.210
  123   3HG2  THR  15          1HG2      THR  15  14.097  23.636  -3.812
  124    H    THR  16           H        THR  16  14.940  23.180  -8.126
  125    HA   THR  16           HA       THR  16  17.213  24.150  -6.840
  126    HB   THR  16           HB       THR  16  16.760  24.373  -9.837
  127    HG1  THR  16           HG1      THR  16  17.332  22.100  -9.798
  128   1HG2  THR  16          1HG2      THR  16  19.124  23.506  -8.109
  129   2HG2  THR  16          3HG2      THR  16  19.114  23.602  -9.886
  130   3HG2  THR  16          2HG2      THR  16  18.948  25.082  -8.915
  131    H    THR  17           H        THR  17  15.019  25.905  -9.117
  132    HA   THR  17           HA       THR  17  16.460  28.368  -9.012
  133    HB   THR  17           HB       THR  17  13.490  28.020  -9.556
  134    HG1  THR  17           HG1      THR  17  14.333  27.694 -11.760
  135   1HG2  THR  17          1HG2      THR  17  15.650  29.906 -10.604
  136   2HG2  THR  17          3HG2      THR  17  13.975  29.852 -11.200
  137   3HG2  THR  17          2HG2      THR  17  14.305  30.334  -9.520
  138    H    VAL  18           H        VAL  18  13.902  26.959  -6.964
  139    HA   VAL  18           HA       VAL  18  13.234  29.404  -5.609
  140    HB   VAL  18           HB       VAL  18  12.942  26.495  -4.730
  141   1HG1  VAL  18          2HG1      VAL  18  11.651  29.073  -3.740
  142   2HG1  VAL  18          1HG1      VAL  18  11.130  27.437  -3.272
  143   3HG1  VAL  18          3HG1      VAL  18  12.750  28.017  -2.823
  144   1HG2  VAL  18          1HG2      VAL  18  11.038  28.407  -6.156
  145   2HG2  VAL  18          2HG2      VAL  18  11.784  26.949  -6.855
  146   3HG2  VAL  18          3HG2      VAL  18  10.597  26.797  -5.539
  147    H    SER  19           H        SER  19  15.496  26.688  -4.887
  148    HA   SER  19           HA       SER  19  16.312  27.624  -2.342
  149   1HB   SER  19          1HB       SER  19  18.120  26.059  -2.536
  150   2HB   SER  19          2HB       SER  19  16.713  25.333  -3.348
  151    HG   SER  19           HG       SER  19  17.601  26.141  -5.330
  152    H    HIS  20           H        HIS  20  17.425  28.473  -5.642
  153    HA   HIS  20           HA       HIS  20  19.825  29.773  -5.040
  154   1HB   HIS  20          2HB       HIS  20  17.683  30.440  -7.083
  155   2HB   HIS  20          1HB       HIS  20  19.274  31.214  -7.044
  156    HD1  HIS  20           HD1      HIS  20  18.874  29.836  -9.605
  157    HD2  HIS  20           HD2      HIS  20  20.114  27.738  -6.210
  158    HE1  HIS  20           HE1      HIS  20  20.000  27.694 -10.394
  159    H    VAL  21           H        VAL  21  16.487  30.911  -4.687
  160    HA   VAL  21           HA       VAL  21  17.216  33.642  -4.088
  161    HB   VAL  21           HB       VAL  21  14.661  32.060  -3.525
  162   1HG1  VAL  21          2HG1      VAL  21  14.839  34.117  -2.153
  163   2HG1  VAL  21          3HG1      VAL  21  15.171  35.061  -3.623
  164   3HG1  VAL  21          1HG1      VAL  21  13.588  34.284  -3.403
  165   1HG2  VAL  21          2HG2      VAL  21  15.498  33.856  -5.845
  166   2HG2  VAL  21          3HG2      VAL  21  15.181  32.107  -5.916
  167   3HG2  VAL  21          1HG2      VAL  21  13.850  33.238  -5.587
  168    H    ILE  22           H        ILE  22  16.513  30.721  -2.142
  169    HA   ILE  22           HA       ILE  22  16.457  32.084   0.384
  170    HB   ILE  22           HB       ILE  22  16.980  29.156  -0.305
  171   1HG1  ILE  22          2HG1      ILE  22  14.414  30.602   0.515
  172   2HG1  ILE  22          1HG1      ILE  22  14.801  30.087  -1.140
  173   1HG2  ILE  22          1HG2      ILE  22  17.718  29.808   1.995
  174   2HG2  ILE  22          3HG2      ILE  22  16.095  30.465   2.311
  175   3HG2  ILE  22          2HG2      ILE  22  16.316  28.722   2.030
  176   1HD1  ILE  22          1HD1      ILE  22  15.075  27.717  -0.193
  177   2HD1  ILE  22          3HD1      ILE  22  14.315  28.333   1.294
  178   3HD1  ILE  22          2HD1      ILE  22  13.418  28.362  -0.240
  179    H    ASN  23           H        ASN  23  18.985  29.988  -1.157
  180    HA   ASN  23           HA       ASN  23  20.905  30.663   0.919
  181   1HB   ASN  23          2HB       ASN  23  22.467  29.314  -0.470
  182   2HB   ASN  23          1HB       ASN  23  20.955  28.466  -0.092
  183   1HD2  ASN  23          1HD2      ASN  23  20.845  27.586  -3.514
  184   2HD2  ASN  23          2HD2      ASN  23  21.103  27.044  -1.871
  185    H    LYS  24           H        LYS  24  19.820  32.299  -1.889
  186    HA   LYS  24           HA       LYS  24  20.587  34.126  -3.034
  187   1HB   LYS  24          2HB       LYS  24  22.301  34.488  -0.537
  188   2HB   LYS  24          1HB       LYS  24  21.984  35.730  -1.762
  189   1HG   LYS  24          1HG       LYS  24  19.651  35.806  -1.238
  190   2HG   LYS  24          2HG       LYS  24  19.737  34.324  -0.262
  191   1HD   LYS  24          2HD       LYS  24  21.407  36.744   0.474
  192   2HD   LYS  24          1HD       LYS  24  19.698  36.643   0.963
  193   1HE   LYS  24          1HE       LYS  24  20.122  34.489   2.087
  194   2HE   LYS  24          2HE       LYS  24  21.820  34.531   1.567
  195   1HZ   LYS  24          3HZ       LYS  24  22.097  36.528   2.849
  196   2HZ   LYS  24          2HZ       LYS  24  20.522  36.482   3.338
  197   3HZ   LYS  24          1HZ       LYS  24  21.566  35.293   3.805
  198    H    THR  25           H        THR  25  21.824  31.613  -3.667
  199    HA   THR  25           HA       THR  25  24.708  32.123  -3.925
  200    HB   THR  25           HB       THR  25  23.681  29.836  -3.527
  201    HG1  THR  25           HG1      THR  25  25.785  30.157  -4.386
  202   1HG2  THR  25          2HG2      THR  25  21.851  30.281  -5.328
  203   2HG2  THR  25          1HG2      THR  25  23.102  29.835  -6.504
  204   3HG2  THR  25          3HG2      THR  25  22.588  28.667  -5.268
  205    H    ARG  26           H        ARG  26  21.763  32.299  -5.888
  206    HA   ARG  26           HA       ARG  26  23.303  33.753  -7.979
  207   1HB   ARG  26          2HB       ARG  26  21.334  31.462  -8.333
  208   2HB   ARG  26          1HB       ARG  26  21.658  32.637  -9.629
  209   1HG   ARG  26          2HG       ARG  26  24.027  32.072  -9.631
  210   2HG   ARG  26          1HG       ARG  26  23.821  31.017  -8.217
  211   1HD   ARG  26          1HD       ARG  26  22.227  29.613  -9.551
  212   2HD   ARG  26          2HD       ARG  26  22.587  30.609 -10.974
  213    HE   ARG  26           HE       ARG  26  24.246  28.519  -9.802
  214   1HH1  ARG  26          2HH1      ARG  26  24.270  31.508 -11.713
  215   2HH1  ARG  26          1HH1      ARG  26  25.769  31.132 -12.528
  216   1HH2  ARG  26          2HH2      ARG  26  26.233  28.045 -10.870
  217   2HH2  ARG  26          1HH2      ARG  26  26.895  29.165 -12.037
  218    H    PHE  27           H        PHE  27  22.445  35.445  -6.424
  219    HA   PHE  27           HA       PHE  27  19.684  35.942  -6.087
  220   1HB   PHE  27          1HB       PHE  27  21.466  37.010  -4.773
  221   2HB   PHE  27          2HB       PHE  27  22.040  37.863  -6.215
  222    HD1  PHE  27           HD1      PHE  27  19.180  37.555  -3.831
  223    HD2  PHE  27           HD2      PHE  27  21.018  39.900  -6.943
  224    HE1  PHE  27           HE1      PHE  27  17.619  39.428  -3.350
  225    HE2  PHE  27           HE2      PHE  27  19.454  41.767  -6.460
  226    HZ   PHE  27           HZ       PHE  27  17.754  41.531  -4.663
  227    H    VAL  28           H        VAL  28  18.241  36.129  -7.695
  228    HA   VAL  28           HA       VAL  28  18.984  37.085 -10.334
  229    HB   VAL  28           HB       VAL  28  16.195  36.604  -9.193
  230   1HG1  VAL  28          1HG1      VAL  28  17.416  36.846 -11.952
  231   2HG1  VAL  28          3HG1      VAL  28  15.977  35.834 -11.713
  232   3HG1  VAL  28          2HG1      VAL  28  15.915  37.563 -11.319
  233   1HG2  VAL  28          2HG2      VAL  28  18.236  34.646 -10.343
  234   2HG2  VAL  28          3HG2      VAL  28  17.478  34.592  -8.734
  235   3HG2  VAL  28          1HG2      VAL  28  16.503  34.277 -10.185
  236    H    ALA  29           H        ALA  29  17.400  38.867 -11.318
  237    HA   ALA  29           HA       ALA  29  17.972  41.289  -9.830
  238   1HB   ALA  29          1HB       ALA  29  18.187  41.116 -12.289
  239   2HB   ALA  29          3HB       ALA  29  16.434  40.835 -12.420
  240   3HB   ALA  29          2HB       ALA  29  17.044  42.397 -11.820
  241    H    GLU  30           H        GLU  30  16.361  39.938  -8.123
  242    HA   GLU  30           HA       GLU  30  14.595  40.279  -6.742
  243   1HB   GLU  30          1HB       GLU  30  13.949  42.694  -8.477
  244   2HB   GLU  30          2HB       GLU  30  13.310  42.354  -6.856
  245   1HG   GLU  30          1HG       GLU  30  15.644  42.364  -5.961
  246   2HG   GLU  30          2HG       GLU  30  16.241  42.803  -7.577
  247    H    GLU  31           H        GLU  31  13.834  40.272 -10.235
  248    HA   GLU  31           HA       GLU  31  11.072  39.994 -10.183
  249   1HB   GLU  31          1HB       GLU  31  13.168  38.679 -11.961
  250   2HB   GLU  31          2HB       GLU  31  11.420  38.627 -12.292
  251   1HG   GLU  31          2HG       GLU  31  11.324  41.072 -12.392
  252   2HG   GLU  31          1HG       GLU  31  13.038  41.189 -11.942
  253    H    THR  32           H        THR  32  13.411  37.236 -10.267
  254    HA   THR  32           HA       THR  32  11.442  35.251  -9.801
  255    HB   THR  32           HB       THR  32  14.412  35.178  -9.133
  256    HG1  THR  32           HG1      THR  32  14.453  34.238 -11.277
  257   1HG2  THR  32          2HG2      THR  32  12.353  33.003  -9.722
  258   2HG2  THR  32          1HG2      THR  32  14.107  32.731  -9.584
  259   3HG2  THR  32          3HG2      THR  32  13.181  33.287  -8.172
  260    H    ARG  33           H        ARG  33  13.527  37.106  -7.523
  261    HA   ARG  33           HA       ARG  33  12.958  35.635  -5.194
  262   1HB   ARG  33          1HB       ARG  33  14.702  37.302  -5.212
  263   2HB   ARG  33          2HB       ARG  33  13.546  38.591  -5.612
  264   1HG   ARG  33          1HG       ARG  33  12.536  38.526  -3.471
  265   2HG   ARG  33          2HG       ARG  33  13.217  36.925  -3.105
  266   1HD   ARG  33          1HD       ARG  33  15.051  39.277  -3.609
  267   2HD   ARG  33          2HD       ARG  33  14.284  39.059  -2.021
  268    HE   ARG  33           HE       ARG  33  15.802  36.798  -3.228
  269   1HH1  ARG  33          1HH2      ARG  33  15.908  39.523  -0.993
  270   2HH1  ARG  33          2HH2      ARG  33  16.876  38.694   0.200
  271   1HH2  ARG  33          1HH1      ARG  33  16.973  35.630  -1.571
  272   2HH2  ARG  33          2HH1      ARG  33  17.560  36.510  -0.178
  273    H    ASN  34           H        ASN  34  11.286  38.607  -6.419
  274    HA   ASN  34           HA       ASN  34   9.271  38.613  -4.412
  275   1HB   ASN  34          1HB       ASN  34   9.455  39.765  -7.216
  276   2HB   ASN  34          2HB       ASN  34   8.024  40.002  -6.189
  277   1HD2  ASN  34          1HD2      ASN  34   9.694  42.114  -3.792
  278   2HD2  ASN  34          2HD2      ASN  34   8.436  40.908  -3.953
  279    H    ALA  35           H        ALA  35   9.327  37.217  -7.738
  280    HA   ALA  35           HA       ALA  35   6.652  36.338  -7.821
  281   1HB   ALA  35          3HB       ALA  35   8.174  36.382  -9.761
  282   2HB   ALA  35          1HB       ALA  35   9.137  35.069  -9.044
  283   3HB   ALA  35          2HB       ALA  35   7.458  34.767  -9.549
  284    H    VAL  36           H        VAL  36   9.578  34.703  -6.507
  285    HA   VAL  36           HA       VAL  36   8.311  32.212  -5.956
  286    HB   VAL  36           HB       VAL  36  10.797  33.630  -4.953
  287   1HG1  VAL  36          1HG1      VAL  36   9.645  30.969  -4.014
  288   2HG1  VAL  36          2HG1      VAL  36  11.360  31.411  -3.838
  289   3HG1  VAL  36          3HG1      VAL  36  10.111  32.366  -3.012
  290   1HG2  VAL  36          3HG2      VAL  36  10.640  32.565  -7.252
  291   2HG2  VAL  36          2HG2      VAL  36  11.913  31.884  -6.214
  292   3HG2  VAL  36          1HG2      VAL  36  10.384  31.003  -6.443
  293    H    TRP  37           H        TRP  37   9.106  34.952  -3.700
  294    HA   TRP  37           HA       TRP  37   7.800  33.815  -1.464
  295   1HB   TRP  37          1HB       TRP  37   8.258  36.726  -2.180
  296   2HB   TRP  37          2HB       TRP  37   7.797  36.132  -0.578
  297    HD1  TRP  37           HD1      TRP  37  10.649  37.463  -2.018
  298    HE1  TRP  37           HE1      TRP  37  12.882  36.550  -1.118
  299    HE3  TRP  37           HE3      TRP  37   8.943  33.176   0.221
  300    HZ2  TRP  37           HZ2      TRP  37  13.795  34.281   0.342
  301    HZ3  TRP  37           HZ3      TRP  37  10.542  31.662   1.355
  302    HH2  TRP  37           HH2      TRP  37  12.961  32.203   1.413
  303    H    ALA  38           H        ALA  38   6.538  35.854  -4.114
  304    HA   ALA  38           HA       ALA  38   3.979  36.334  -2.921
  305   1HB   ALA  38          1HB       ALA  38   4.849  36.252  -5.842
  306   2HB   ALA  38          2HB       ALA  38   3.313  36.923  -5.242
  307   3HB   ALA  38          3HB       ALA  38   4.856  37.680  -4.779
  308    H    ALA  39           H        ALA  39   5.073  33.940  -5.397
  309    HA   ALA  39           HA       ALA  39   2.597  32.621  -5.698
  310   1HB   ALA  39          1HB       ALA  39   4.515  32.393  -7.233
  311   2HB   ALA  39          2HB       ALA  39   5.420  31.517  -5.976
  312   3HB   ALA  39          3HB       ALA  39   3.943  30.806  -6.670
  313    H    ILE  40           H        ILE  40   5.300  32.026  -3.396
  314    HA   ILE  40           HA       ILE  40   4.440  29.585  -2.321
  315    HB   ILE  40           HB       ILE  40   5.994  31.941  -1.233
  316   1HG1  ILE  40          1HG1      ILE  40   6.795  29.024  -1.520
  317   2HG1  ILE  40          2HG1      ILE  40   6.851  30.139  -2.900
  318   1HG2  ILE  40          2HG2      ILE  40   5.117  29.445   0.289
  319   2HG2  ILE  40          1HG2      ILE  40   6.484  30.464   0.788
  320   3HG2  ILE  40          3HG2      ILE  40   4.845  31.142   0.748
  321   1HD1  ILE  40          1HD1      ILE  40   8.303  30.530  -0.248
  322   2HD1  ILE  40          2HD1      ILE  40   9.047  30.015  -1.777
  323   3HD1  ILE  40          3HD1      ILE  40   8.350  31.642  -1.631
  324    H    LYS  41           H        LYS  41   3.470  32.925  -1.381
  325    HA   LYS  41           HA       LYS  41   1.710  31.927   0.719
  326   1HB   LYS  41          2HB       LYS  41   2.139  34.679  -0.527
  327   2HB   LYS  41          1HB       LYS  41   1.086  34.358   0.868
  328   1HG   LYS  41          2HG       LYS  41   3.018  33.480   2.144
  329   2HG   LYS  41          1HG       LYS  41   4.072  33.733   0.736
  330   1HD   LYS  41          2HD       LYS  41   4.515  35.734   1.747
  331   2HD   LYS  41          1HD       LYS  41   2.997  36.234   0.969
  332   1HE   LYS  41          1HE       LYS  41   3.239  35.102   3.797
  333   2HE   LYS  41          2HE       LYS  41   3.082  36.826   3.398
  334   1HZ   LYS  41          3HZ       LYS  41   0.973  36.295   2.355
  335   2HZ   LYS  41          1HZ       LYS  41   1.112  34.724   2.834
  336   3HZ   LYS  41          2HZ       LYS  41   0.981  35.921   3.961
  337    H    GLU  42           H        GLU  42   1.411  33.118  -2.638
  338    HA   GLU  42           HA       GLU  42  -1.383  33.460  -2.690
  339   1HB   GLU  42          1HB       GLU  42   0.241  34.242  -4.424
  340   2HB   GLU  42          2HB       GLU  42   0.447  32.556  -4.950
  341   1HG   GLU  42          1HG       GLU  42  -1.992  32.428  -5.437
  342   2HG   GLU  42          2HG       GLU  42  -2.167  34.126  -4.944
  343    H    LEU  43           H        LEU  43   0.562  30.625  -3.803
  344    HA   LEU  43           HA       LEU  43  -1.767  28.966  -4.178
  345   1HB   LEU  43          1HB       LEU  43   1.229  28.571  -4.171
  346   2HB   LEU  43          2HB       LEU  43   0.171  27.151  -4.116
  347    HG   LEU  43           HG       LEU  43   0.884  27.820  -6.442
  348   1HD1  LEU  43          3HD1      LEU  43  -1.256  26.553  -5.885
  349   2HD1  LEU  43          1HD1      LEU  43  -2.122  28.097  -6.050
  350   3HD1  LEU  43          2HD1      LEU  43  -1.256  27.413  -7.441
  351   1HD2  LEU  43          1HD2      LEU  43   0.785  30.306  -6.009
  352   2HD2  LEU  43          3HD2      LEU  43  -0.050  29.789  -7.491
  353   3HD2  LEU  43          2HD2      LEU  43  -0.990  30.188  -6.037
  354    H    HIS  44           H        HIS  44   0.713  29.328  -1.617
  355    HA   HIS  44           HA       HIS  44   0.773  28.682   0.559
  356   1HB   HIS  44          1HB       HIS  44  -1.175  29.680   1.199
  357   2HB   HIS  44          2HB       HIS  44  -2.174  28.783   0.051
  358    HD1  HIS  44           HD1      HIS  44  -0.518  28.442   3.471
  359    HD2  HIS  44           HD2      HIS  44  -3.277  26.419   1.057
  360    HE1  HIS  44           HE1      HIS  44  -1.583  26.614   4.883
  361    H    TYR  45           H        TYR  45   1.790  26.913   1.126
  362    HA   TYR  45           HA       TYR  45   0.512  24.291   0.920
  363   1HB   TYR  45          1HB       TYR  45   2.224  23.272  -0.453
  364   2HB   TYR  45          2HB       TYR  45   1.368  24.535  -1.336
  365    HD1  TYR  45           HD2      TYR  45   3.629  26.268   0.794
  366    HD2  TYR  45           HD1      TYR  45   3.523  23.813  -2.756
  367    HE1  TYR  45           HE2      TYR  45   5.805  27.193   0.083
  368    HE2  TYR  45           HE1      TYR  45   5.689  24.768  -3.457
  369    HH   TYR  45           HH       TYR  45   7.505  27.094  -1.456
  370    H    SER  46           H        SER  46   1.078  25.598   3.198
  371    HA   SER  46           HA       SER  46   3.612  25.471   4.316
  372   1HB   SER  46          2HB       SER  46   1.489  26.429   5.317
  373   2HB   SER  46          1HB       SER  46   1.041  24.767   5.772
  374    HG   SER  46           HG       SER  46   2.137  25.550   7.495
  375    HA   PRO  47           HA       PRO  47   4.312  21.044   4.073
  376   1HB   PRO  47          1HB       PRO  47   6.718  21.203   5.607
  377   2HB   PRO  47          2HB       PRO  47   6.566  21.143   3.828
  378   1HG   PRO  47          2HG       PRO  47   7.257  23.421   5.538
  379   2HG   PRO  47          1HG       PRO  47   7.326  23.291   3.758
  380   1HD   PRO  47          1HD       PRO  47   5.398  24.714   5.333
  381   2HD   PRO  47          2HD       PRO  47   5.392  24.471   3.560
  382    H    SER  48           H        SER  48   4.294  23.040   6.999
  383    HA   SER  48           HA       SER  48   3.054  20.819   8.487
  384   1HB   SER  48          1HB       SER  48   5.537  22.294   9.476
  385   2HB   SER  48          2HB       SER  48   4.579  21.116  10.407
  386    HG   SER  48           HG       SER  48   5.109  19.923   8.159
  387    H    ALA  49           H        ALA  49   1.538  21.563   9.935
  388    HA   ALA  49           HA       ALA  49   0.103  23.013  10.955
  389   1HB   ALA  49          1HB       ALA  49   2.183  23.798  12.110
  390   2HB   ALA  49          3HB       ALA  49   2.377  25.038  10.852
  391   3HB   ALA  49          2HB       ALA  49   0.956  25.071  11.916
  392    H    VAL  50           H        VAL  50  -1.338  23.068   9.229
  393    HA   VAL  50           HA       VAL  50  -1.006  24.699   6.913
  394    HB   VAL  50           HB       VAL  50  -2.489  22.670   7.155
  395   1HG1  VAL  50          3HG1      VAL  50  -3.467  23.371   9.384
  396   2HG1  VAL  50          2HG1      VAL  50  -4.404  24.613   8.520
  397   3HG1  VAL  50          1HG1      VAL  50  -4.678  22.891   8.174
  398   1HG2  VAL  50          2HG2      VAL  50  -2.709  24.267   5.266
  399   2HG2  VAL  50          3HG2      VAL  50  -4.276  23.561   5.719
  400   3HG2  VAL  50          1HG2      VAL  50  -3.873  25.220   6.215
  401    H    ALA  51           H        ALA  51  -2.311  25.338  10.155
  402    HA   ALA  51           HA       ALA  51  -3.837  27.648   9.567
  403   1HB   ALA  51          2HB       ALA  51  -2.284  26.866  12.070
  404   2HB   ALA  51          3HB       ALA  51  -3.499  28.165  11.987
  405   3HB   ALA  51          1HB       ALA  51  -3.981  26.475  11.705
  406    H    ARG  52           H        ARG  52  -0.542  27.590  11.077
  407    HA   ARG  52           HA       ARG  52   0.459  29.609   9.273
  408   1HB   ARG  52          1HB       ARG  52  -1.116  30.746  11.113
  409   2HB   ARG  52          2HB       ARG  52   0.316  30.543  12.142
  410   1HG   ARG  52          2HG       ARG  52   1.655  31.673  10.251
  411   2HG   ARG  52          1HG       ARG  52   0.087  32.072   9.514
  412   1HD   ARG  52          2HD       ARG  52  -0.589  33.278  11.551
  413   2HD   ARG  52          1HD       ARG  52   0.941  32.832  12.341
  414    HE   ARG  52           HE       ARG  52   1.551  34.152   9.902
  415   1HH1  ARG  52          1HH2      ARG  52   0.093  34.822  13.059
  416   2HH1  ARG  52          2HH2      ARG  52   0.599  36.494  13.092
  417   1HH2  ARG  52          2HH1      ARG  52   2.217  36.365   9.950
  418   2HH2  ARG  52          1HH1      ARG  52   1.794  37.379  11.308
  419    H    SER  53           H        SER  53   2.263  30.508  11.610
  420    HA   SER  53           HA       SER  53   3.624  28.172  12.578
  421   1HB   SER  53          1HB       SER  53   5.724  28.550  11.216
  422   2HB   SER  53          2HB       SER  53   4.359  27.898  10.280
  423    HG   SER  53           HG       SER  53   5.005  30.659  10.478
  424    H    LEU  54           H        LEU  54   4.144  28.982  14.543
  425    HA   LEU  54           HA       LEU  54   5.895  31.300  14.720
  426   1HB   LEU  54          2HB       LEU  54   4.384  32.560  16.263
  427   2HB   LEU  54          1HB       LEU  54   3.762  32.483  14.602
  428    HG   LEU  54           HG       LEU  54   2.842  30.203  16.229
  429   1HD1  LEU  54          3HD1      LEU  54   2.076  33.025  17.095
  430   2HD1  LEU  54          2HD1      LEU  54   1.299  31.524  17.652
  431   3HD1  LEU  54          1HD1      LEU  54   2.999  31.849  18.063
  432   1HD2  LEU  54          2HD2      LEU  54   1.897  30.902  14.037
  433   2HD2  LEU  54          3HD2      LEU  54   0.665  30.914  15.320
  434   3HD2  LEU  54          1HD2      LEU  54   1.383  32.444  14.762
  435    H    LYS  55           H        LYS  55   6.692  31.607  16.938
  436    HA   LYS  55           HA       LYS  55   7.625  30.765  18.844
  437   1HB   LYS  55          2HB       LYS  55   4.975  30.770  19.260
  438   2HB   LYS  55          1HB       LYS  55   5.225  29.014  19.344
  439   1HG   LYS  55          1HG       LYS  55   5.544  29.667  21.578
  440   2HG   LYS  55          2HG       LYS  55   7.212  29.647  20.965
  441   1HD   LYS  55          2HD       LYS  55   7.135  32.082  20.589
  442   2HD   LYS  55          1HD       LYS  55   5.428  32.123  21.085
  443   1HE   LYS  55          2HE       LYS  55   6.829  32.838  22.955
  444   2HE   LYS  55          1HE       LYS  55   6.086  31.271  23.338
  445   1HZ   LYS  55          1HZ       LYS  55   8.818  31.642  22.321
  446   2HZ   LYS  55          3HZ       LYS  55   8.419  31.363  23.896
  447   3HZ   LYS  55          2HZ       LYS  55   8.126  30.210  22.756
  448    H    VAL  56           H        VAL  56   6.970  28.016  19.958
  449    HA   VAL  56           HA       VAL  56   8.022  26.214  17.874
  450    HB   VAL  56           HB       VAL  56   9.790  25.398  19.480
  451   1HG1  VAL  56          3HG1      VAL  56  10.259  26.993  17.578
  452   2HG1  VAL  56          2HG1      VAL  56  10.109  28.337  18.736
  453   3HG1  VAL  56          1HG1      VAL  56  11.398  27.129  18.938
  454   1HG2  VAL  56          2HG2      VAL  56   8.793  26.357  21.553
  455   2HG2  VAL  56          1HG2      VAL  56  10.479  26.873  21.327
  456   3HG2  VAL  56          3HG2      VAL  56   9.150  27.994  20.956
   
  No H/Q in entry =         456
  Start of MODEL           2
 Raw file had  466 H/Q atoms
  Start of MODEL    2
    1   1H    MET   1          3H        MET   1  -1.650  22.076   1.145
    2   2H    MET   1          1H        MET   1  -1.786  22.658   2.682
    3   3H    MET   1          2H        MET   1  -1.208  23.627   1.477
    4    HA   MET   1           HA       MET   1   0.603  22.956   2.790
    5   1HB   MET   1          2HB       MET   1   1.120  20.640   3.200
    6   2HB   MET   1          1HB       MET   1  -0.573  20.903   3.668
    7   1HG   MET   1          2HG       MET   1  -1.193  20.107   1.303
    8   2HG   MET   1          1HG       MET   1   0.488  19.577   1.147
    9   1HE   MET   1          2HE       MET   1   1.636  17.860   2.740
   10   2HE   MET   1          1HE       MET   1   1.017  18.585   4.243
   11   3HE   MET   1          3HE       MET   1   0.786  16.850   3.933
   12    H    ALA   2           H        ALA   2   2.687  22.290   1.891
   13    HA   ALA   2           HA       ALA   2   4.218  22.046   0.214
   14   1HB   ALA   2          3HB       ALA   2   2.669  20.096  -0.455
   15   2HB   ALA   2          2HB       ALA   2   2.027  21.193  -1.701
   16   3HB   ALA   2          1HB       ALA   2   3.749  20.752  -1.707
   17    H    THR   3           H        THR   3   5.119  23.322  -1.426
   18    HA   THR   3           HA       THR   3   3.549  25.212  -2.959
   19    HB   THR   3           HB       THR   3   5.318  26.291  -0.712
   20    HG1  THR   3           HG1      THR   3   2.559  25.939  -1.007
   21   1HG2  THR   3          1HG2      THR   3   3.703  27.605  -2.927
   22   2HG2  THR   3          3HG2      THR   3   4.293  28.484  -1.498
   23   3HG2  THR   3          2HG2      THR   3   5.450  27.740  -2.623
   24    H    ILE   4           H        ILE   4   6.775  24.597  -1.460
   25    HA   ILE   4           HA       ILE   4   8.453  25.710  -3.351
   26    HB   ILE   4           HB       ILE   4   9.106  24.662  -1.169
   27   1HG1  ILE   4          1HG1      ILE   4  10.634  23.636  -3.604
   28   2HG1  ILE   4          2HG1      ILE   4  10.773  25.266  -2.916
   29   1HG2  ILE   4          3HG2      ILE   4   7.754  22.516  -1.650
   30   2HG2  ILE   4          2HG2      ILE   4   9.112  22.023  -2.687
   31   3HG2  ILE   4          1HG2      ILE   4   9.368  22.290  -0.950
   32   1HD1  ILE   4          2HD1      ILE   4  11.492  24.245  -0.743
   33   2HD1  ILE   4          3HD1      ILE   4  11.465  22.646  -1.524
   34   3HD1  ILE   4          1HD1      ILE   4  12.606  23.890  -2.084
   35    H    LYS   5           H        LYS   5   6.653  22.657  -3.588
   36    HA   LYS   5           HA       LYS   5   8.052  21.656  -5.887
   37   1HB   LYS   5          1HB       LYS   5   5.349  21.104  -4.605
   38   2HB   LYS   5          2HB       LYS   5   5.903  20.245  -6.055
   39   1HG   LYS   5          1HG       LYS   5   7.714  20.393  -3.638
   40   2HG   LYS   5          2HG       LYS   5   6.366  19.241  -3.638
   41   1HD   LYS   5          1HD       LYS   5   8.248  19.383  -6.010
   42   2HD   LYS   5          2HD       LYS   5   8.713  18.475  -4.557
   43   1HE   LYS   5          2HE       LYS   5   6.056  18.043  -5.987
   44   2HE   LYS   5          1HE       LYS   5   7.527  17.135  -6.394
   45   1HZ   LYS   5          3HZ       LYS   5   7.612  16.387  -4.121
   46   2HZ   LYS   5          2HZ       LYS   5   6.226  17.207  -3.759
   47   3HZ   LYS   5          1HZ       LYS   5   6.187  15.956  -4.831
   48    H    ASP   6           H        ASP   6   4.794  23.110  -5.508
   49    HA   ASP   6           HA       ASP   6   4.233  23.222  -8.275
   50   1HB   ASP   6          1HB       ASP   6   3.204  24.727  -5.857
   51   2HB   ASP   6          2HB       ASP   6   2.580  25.048  -7.489
   52    H    VAL   7           H        VAL   7   5.359  25.909  -6.119
   53    HA   VAL   7           HA       VAL   7   5.279  28.000  -7.892
   54    HB   VAL   7           HB       VAL   7   7.241  28.955  -6.643
   55   1HG1  VAL   7          2HG1      VAL   7   5.030  27.660  -4.999
   56   2HG1  VAL   7          1HG1      VAL   7   6.035  29.029  -4.477
   57   3HG1  VAL   7          3HG1      VAL   7   4.924  29.215  -5.853
   58   1HG2  VAL   7          1HG2      VAL   7   7.381  26.145  -5.636
   59   2HG2  VAL   7          2HG2      VAL   7   8.678  27.298  -5.975
   60   3HG2  VAL   7          3HG2      VAL   7   7.714  27.459  -4.496
   61    H    ALA   8           H        ALA   8   8.152  25.912  -7.465
   62    HA   ALA   8           HA       ALA   8   9.836  27.073  -9.321
   63   1HB   ALA   8          1HB       ALA   8   9.466  24.110  -8.719
   64   2HB   ALA   8          2HB       ALA   8  10.891  24.827  -9.503
   65   3HB   ALA   8          3HB       ALA   8  10.496  25.245  -7.821
   66    H    LYS   9           H        LYS   9   7.404  24.477 -10.021
   67    HA   LYS   9           HA       LYS   9   8.064  24.515 -12.852
   68   1HB   LYS   9          1HB       LYS   9   5.836  23.242 -11.226
   69   2HB   LYS   9          2HB       LYS   9   5.961  23.082 -12.992
   70   1HG   LYS   9          1HG       LYS   9   7.255  21.262 -12.498
   71   2HG   LYS   9          2HG       LYS   9   8.541  22.471 -12.258
   72   1HD   LYS   9          2HD       LYS   9   8.094  22.543  -9.870
   73   2HD   LYS   9          1HD       LYS   9   6.674  21.485 -10.054
   74   1HE   LYS   9          2HE       LYS   9   8.132  19.662 -10.862
   75   2HE   LYS   9          1HE       LYS   9   9.552  20.722 -10.720
   76   1HZ   LYS   9          2HZ       LYS   9   9.124  20.872  -8.375
   77   2HZ   LYS   9          3HZ       LYS   9   7.811  19.883  -8.510
   78   3HZ   LYS   9          1HZ       LYS   9   9.320  19.297  -8.826
   79    H    ARG  10           H        ARG  10   5.607  26.104 -10.791
   80    HA   ARG  10           HA       ARG  10   3.866  27.015 -12.836
   81   1HB   ARG  10          1HB       ARG  10   4.676  28.199 -10.154
   82   2HB   ARG  10          2HB       ARG  10   3.412  28.897 -11.172
   83   1HG   ARG  10          1HG       ARG  10   3.411  26.008 -10.220
   84   2HG   ARG  10          2HG       ARG  10   2.590  27.319  -9.355
   85   1HD   ARG  10          1HD       ARG  10   1.418  27.794 -11.634
   86   2HD   ARG  10          2HD       ARG  10   1.966  26.167 -12.092
   87    HE   ARG  10           HE       ARG  10  -0.302  26.736 -10.532
   88   1HH1  ARG  10          1HH1      ARG  10   2.333  24.402 -10.772
   89   2HH1  ARG  10          2HH1      ARG  10   1.771  23.411  -9.437
   90   1HH2  ARG  10          1HH2      ARG  10  -1.113  25.336  -8.841
   91   2HH2  ARG  10          2HH2      ARG  10  -0.180  23.929  -8.359
   92    H    ALA  11           H        ALA  11   6.611  28.708 -11.236
   93    HA   ALA  11           HA       ALA  11   6.608  30.914 -13.085
   94   1HB   ALA  11          1HB       ALA  11   8.676  29.864 -11.113
   95   2HB   ALA  11          3HB       ALA  11   8.825  31.403 -11.997
   96   3HB   ALA  11          2HB       ALA  11   7.492  31.163 -10.842
   97    H    ASN  12           H        ASN  12   7.545  27.668 -13.485
   98    HA   ASN  12           HA       ASN  12   8.685  26.552 -15.101
   99   1HB   ASN  12          1HB       ASN  12   7.264  28.234 -16.477
  100   2HB   ASN  12          2HB       ASN  12   8.790  29.103 -16.735
  101   1HD2  ASN  12          1HD2      ASN  12  10.296  26.276 -18.562
  102   2HD2  ASN  12          2HD2      ASN  12  10.705  27.394 -17.276
  103    H    VAL  13           H        VAL  13  10.337  26.888 -13.204
  104    HA   VAL  13           HA       VAL  13  12.858  27.730 -14.528
  105    HB   VAL  13           HB       VAL  13  13.560  28.551 -12.138
  106   1HG1  VAL  13          2HG1      VAL  13  13.330  29.977 -14.158
  107   2HG1  VAL  13          3HG1      VAL  13  11.594  30.168 -13.814
  108   3HG1  VAL  13          1HG1      VAL  13  12.802  30.819 -12.683
  109   1HG2  VAL  13          1HG2      VAL  13  11.390  27.736 -11.071
  110   2HG2  VAL  13          2HG2      VAL  13  11.775  29.443 -10.760
  111   3HG2  VAL  13          3HG2      VAL  13  10.550  29.013 -11.972
  112    H    SER  14           H        SER  14  13.100  26.924 -11.199
  113    HA   SER  14           HA       SER  14  13.004  24.066 -11.407
  114   1HB   SER  14          2HB       SER  14  15.546  23.801 -11.090
  115   2HB   SER  14          1HB       SER  14  14.987  24.192 -12.733
  116    HG   SER  14           HG       SER  14  16.216  25.867 -10.818
  117    H    THR  15           H        THR  15  13.271  23.093  -9.375
  118    HA   THR  15           HA       THR  15  12.651  24.591  -7.102
  119    HB   THR  15           HB       THR  15  12.399  22.140  -7.307
  120    HG1  THR  15           HG1      THR  15  12.592  23.236  -5.242
  121   1HG2  THR  15          3HG2      THR  15  14.635  21.739  -8.421
  122   2HG2  THR  15          2HG2      THR  15  15.410  22.007  -6.838
  123   3HG2  THR  15          1HG2      THR  15  14.295  20.642  -7.064
  124    H    THR  16           H        THR  16  15.842  23.878  -8.502
  125    HA   THR  16           HA       THR  16  17.549  24.496  -6.394
  126    HB   THR  16           HB       THR  16  19.074  25.366  -8.257
  127    HG1  THR  16           HG1      THR  16  18.265  25.138 -10.340
  128   1HG2  THR  16          3HG2      THR  16  19.002  22.983  -7.552
  129   2HG2  THR  16          2HG2      THR  16  17.670  22.692  -8.698
  130   3HG2  THR  16          1HG2      THR  16  19.282  23.139  -9.302
  131    H    THR  17           H        THR  17  16.174  26.805  -8.807
  132    HA   THR  17           HA       THR  17  17.206  29.174  -7.741
  133    HB   THR  17           HB       THR  17  14.434  28.846  -8.947
  134    HG1  THR  17           HG1      THR  17  15.557  28.995 -10.938
  135   1HG2  THR  17          3HG2      THR  17  16.539  31.055  -9.088
  136   2HG2  THR  17          1HG2      THR  17  14.960  31.074  -9.907
  137   3HG2  THR  17          2HG2      THR  17  15.038  31.110  -8.130
  138    H    VAL  18           H        VAL  18  14.178  27.442  -6.913
  139    HA   VAL  18           HA       VAL  18  13.233  29.380  -5.046
  140    HB   VAL  18           HB       VAL  18  12.655  26.387  -5.118
  141   1HG1  VAL  18          2HG1      VAL  18  11.091  28.811  -4.128
  142   2HG1  VAL  18          3HG1      VAL  18  10.432  27.165  -4.246
  143   3HG1  VAL  18          1HG1      VAL  18  11.772  27.507  -3.128
  144   1HG2  VAL  18          3HG2      VAL  18  11.499  28.702  -6.731
  145   2HG2  VAL  18          1HG2      VAL  18  12.313  27.253  -7.361
  146   3HG2  VAL  18          2HG2      VAL  18  10.723  27.112  -6.590
  147    H    SER  19           H        SER  19  15.630  26.776  -4.782
  148    HA   SER  19           HA       SER  19  15.531  26.722  -1.857
  149   1HB   SER  19          1HB       SER  19  17.658  25.707  -3.793
  150   2HB   SER  19          2HB       SER  19  17.522  25.300  -2.068
  151    HG   SER  19           HG       SER  19  16.566  23.718  -3.446
  152    H    HIS  20           H        HIS  20  17.707  28.041  -4.380
  153    HA   HIS  20           HA       HIS  20  19.571  29.201  -2.649
  154   1HB   HIS  20          2HB       HIS  20  18.624  30.423  -5.240
  155   2HB   HIS  20          1HB       HIS  20  20.218  30.569  -4.476
  156    HD1  HIS  20           HD1      HIS  20  20.806  27.546  -3.901
  157    HD2  HIS  20           HD2      HIS  20  19.288  29.064  -7.483
  158    HE1  HIS  20           HE1      HIS  20  21.372  25.878  -5.740
  159    H    VAL  21           H        VAL  21  16.398  30.450  -3.797
  160    HA   VAL  21           HA       VAL  21  16.653  33.083  -2.896
  161    HB   VAL  21           HB       VAL  21  14.302  31.186  -3.125
  162   1HG1  VAL  21          3HG1      VAL  21  14.306  34.068  -2.142
  163   2HG1  VAL  21          2HG1      VAL  21  12.866  33.274  -2.818
  164   3HG1  VAL  21          1HG1      VAL  21  13.610  32.643  -1.333
  165   1HG2  VAL  21          3HG2      VAL  21  15.494  32.191  -5.141
  166   2HG2  VAL  21          2HG2      VAL  21  13.759  32.562  -5.033
  167   3HG2  VAL  21          1HG2      VAL  21  14.965  33.787  -4.565
  168    H    ILE  22           H        ILE  22  16.119  30.126  -0.988
  169    HA   ILE  22           HA       ILE  22  15.342  31.577   1.393
  170    HB   ILE  22           HB       ILE  22  16.382  28.728   1.165
  171   1HG1  ILE  22          1HG1      ILE  22  14.530  28.982  -0.408
  172   2HG1  ILE  22          2HG1      ILE  22  13.970  28.078   1.008
  173   1HG2  ILE  22          2HG2      ILE  22  14.778  30.274   3.233
  174   2HG2  ILE  22          3HG2      ILE  22  14.771  28.495   3.169
  175   3HG2  ILE  22          1HG2      ILE  22  16.292  29.369   3.453
  176   1HD1  ILE  22          3HD1      ILE  22  13.033  30.226   1.939
  177   2HD1  ILE  22          2HD1      ILE  22  13.483  31.031   0.418
  178   3HD1  ILE  22          1HD1      ILE  22  12.281  29.727   0.410
  179    H    ASN  23           H        ASN  23  18.469  30.379   0.095
  180    HA   ASN  23           HA       ASN  23  19.748  31.150   2.697
  181   1HB   ASN  23          2HB       ASN  23  21.784  30.002   1.618
  182   2HB   ASN  23          1HB       ASN  23  20.424  28.988   2.134
  183   1HD2  ASN  23          1HD2      ASN  23  21.402  29.313  -1.857
  184   2HD2  ASN  23          2HD2      ASN  23  22.089  30.407  -0.675
  185    H    LYS  24           H        LYS  24  19.895  31.815  -0.783
  186    HA   LYS  24           HA       LYS  24  20.958  34.476  -0.267
  187   1HB   LYS  24          1HB       LYS  24  23.018  33.102  -0.359
  188   2HB   LYS  24          2HB       LYS  24  22.536  32.472  -1.949
  189   1HG   LYS  24          1HG       LYS  24  22.801  34.599  -2.993
  190   2HG   LYS  24          2HG       LYS  24  22.739  35.462  -1.439
  191   1HD   LYS  24          1HD       LYS  24  25.044  35.442  -2.209
  192   2HD   LYS  24          2HD       LYS  24  24.916  34.365  -0.799
  193   1HE   LYS  24          1HE       LYS  24  24.800  32.401  -2.277
  194   2HE   LYS  24          2HE       LYS  24  24.817  33.450  -3.711
  195   1HZ   LYS  24          3HZ       LYS  24  26.991  34.205  -3.043
  196   2HZ   LYS  24          1HZ       LYS  24  26.973  33.208  -1.729
  197   3HZ   LYS  24          2HZ       LYS  24  26.975  32.567  -3.247
  198    H    THR  25           H        THR  25  21.299  32.675  -3.338
  199    HA   THR  25           HA       THR  25  18.761  32.951  -4.459
  200    HB   THR  25           HB       THR  25  19.494  34.962  -6.052
  201    HG1  THR  25           HG1      THR  25  20.407  36.605  -4.643
  202   1HG2  THR  25          1HG2      THR  25  17.677  34.633  -3.866
  203   2HG2  THR  25          3HG2      THR  25  18.398  36.252  -3.711
  204   3HG2  THR  25          2HG2      THR  25  17.575  35.784  -5.214
  205    H    ARG  26           H        ARG  26  22.263  33.425  -5.074
  206    HA   ARG  26           HA       ARG  26  23.631  32.617  -6.725
  207   1HB   ARG  26          1HB       ARG  26  22.551  30.454  -5.747
  208   2HB   ARG  26          2HB       ARG  26  21.588  30.435  -7.240
  209   1HG   ARG  26          2HG       ARG  26  23.809  30.636  -8.515
  210   2HG   ARG  26          1HG       ARG  26  24.616  30.303  -6.966
  211   1HD   ARG  26          1HD       ARG  26  23.376  28.172  -6.768
  212   2HD   ARG  26          2HD       ARG  26  22.517  28.523  -8.283
  213    HE   ARG  26           HE       ARG  26  24.386  27.897  -9.502
  214   1HH1  ARG  26          1HH2      ARG  26  25.259  28.301  -6.090
  215   2HH1  ARG  26          2HH2      ARG  26  26.830  27.560  -6.266
  216   1HH2  ARG  26          2HH1      ARG  26  26.465  26.929  -9.725
  217   2HH2  ARG  26          1HH1      ARG  26  27.527  26.797  -8.344
  218    H    PHE  27           H        PHE  27  22.040  34.727  -7.465
  219    HA   PHE  27           HA       PHE  27  21.502  35.911  -9.339
  220   1HB   PHE  27          1HB       PHE  27  23.252  34.376 -10.433
  221   2HB   PHE  27          2HB       PHE  27  21.878  33.434 -11.039
  222    HD1  PHE  27           HD2      PHE  27  20.272  34.423 -12.649
  223    HD2  PHE  27           HD1      PHE  27  23.779  36.560 -11.345
  224    HE1  PHE  27           HE2      PHE  27  20.013  36.007 -14.544
  225    HE2  PHE  27           HE1      PHE  27  23.519  38.141 -13.243
  226    HZ   PHE  27           HZ       PHE  27  21.635  37.866 -14.842
  227    H    VAL  28           H        VAL  28  19.498  36.544  -9.790
  228    HA   VAL  28           HA       VAL  28  17.433  34.549 -10.525
  229    HB   VAL  28           HB       VAL  28  15.824  35.835  -8.981
  230   1HG1  VAL  28          1HG1      VAL  28  16.655  33.532  -8.517
  231   2HG1  VAL  28          2HG1      VAL  28  18.057  34.220  -7.667
  232   3HG1  VAL  28          3HG1      VAL  28  16.420  34.468  -7.024
  233   1HG2  VAL  28          3HG2      VAL  28  17.440  37.742  -8.584
  234   2HG2  VAL  28          1HG2      VAL  28  16.777  37.034  -7.097
  235   3HG2  VAL  28          2HG2      VAL  28  18.431  36.634  -7.606
  236    H    ALA  29           H        ALA  29  15.422  35.744 -11.322
  237    HA   ALA  29           HA       ALA  29  16.314  38.071 -12.946
  238   1HB   ALA  29          2HB       ALA  29  15.415  36.067 -14.116
  239   2HB   ALA  29          3HB       ALA  29  13.886  36.249 -13.224
  240   3HB   ALA  29          1HB       ALA  29  14.401  37.506 -14.377
  241    H    GLU  30           H        GLU  30  15.533  38.130 -10.026
  242    HA   GLU  30           HA       GLU  30  14.443  39.535  -8.610
  243   1HB   GLU  30          1HB       GLU  30  13.473  40.971 -11.119
  244   2HB   GLU  30          2HB       GLU  30  13.385  41.584  -9.457
  245   1HG   GLU  30          1HG       GLU  30  15.882  41.387  -9.299
  246   2HG   GLU  30          2HG       GLU  30  15.921  40.912 -11.011
  247    H    GLU  31           H        GLU  31  12.159  39.254 -11.400
  248    HA   GLU  31           HA       GLU  31   9.806  39.094  -9.906
  249   1HB   GLU  31          2HB       GLU  31  10.510  37.785 -12.569
  250   2HB   GLU  31          1HB       GLU  31   8.861  38.005 -11.940
  251   1HG   GLU  31          2HG       GLU  31   9.324  40.489 -11.808
  252   2HG   GLU  31          1HG       GLU  31  10.866  40.193 -12.642
  253    H    THR  32           H        THR  32  12.194  36.526 -10.660
  254    HA   THR  32           HA       THR  32  10.512  34.331  -9.902
  255    HB   THR  32           HB       THR  32  12.817  33.196  -9.610
  256    HG1  THR  32           HG1      THR  32  14.550  34.373 -10.276
  257   1HG2  THR  32          1HG2      THR  32  12.104  34.603 -12.222
  258   2HG2  THR  32          2HG2      THR  32  13.199  33.207 -12.069
  259   3HG2  THR  32          3HG2      THR  32  11.473  33.033 -11.669
  260    H    ARG  33           H        ARG  33  13.154  36.053  -8.152
  261    HA   ARG  33           HA       ARG  33  12.902  34.721  -5.691
  262   1HB   ARG  33          1HB       ARG  33  14.790  36.144  -6.226
  263   2HB   ARG  33          2HB       ARG  33  13.741  37.569  -6.382
  264   1HG   ARG  33          2HG       ARG  33  13.547  36.139  -3.771
  265   2HG   ARG  33          1HG       ARG  33  15.121  36.896  -4.103
  266   1HD   ARG  33          1HD       ARG  33  13.880  39.025  -4.700
  267   2HD   ARG  33          2HD       ARG  33  12.394  38.252  -4.115
  268    HE   ARG  33           HE       ARG  33  14.503  38.123  -2.147
  269   1HH1  ARG  33          2HH2      ARG  33  12.080  40.264  -3.609
  270   2HH1  ARG  33          1HH2      ARG  33  11.929  41.276  -2.188
  271   1HH2  ARG  33          1HH1      ARG  33  14.302  39.474  -0.282
  272   2HH2  ARG  33          2HH1      ARG  33  13.191  40.824  -0.294
  273    H    ASN  34           H        ASN  34  11.230  37.674  -6.895
  274    HA   ASN  34           HA       ASN  34   9.804  38.199  -4.475
  275   1HB   ASN  34          1HB       ASN  34   9.196  38.907  -7.374
  276   2HB   ASN  34          2HB       ASN  34   8.365  39.600  -5.964
  277   1HD2  ASN  34          1HD2      ASN  34  11.300  41.762  -7.160
  278   2HD2  ASN  34          2HD2      ASN  34   9.989  40.983  -8.017
  279    H    ALA  35           H        ALA  35   8.850  36.449  -7.492
  280    HA   ALA  35           HA       ALA  35   6.201  35.848  -6.717
  281   1HB   ALA  35          3HB       ALA  35   8.140  34.287  -8.474
  282   2HB   ALA  35          2HB       ALA  35   6.381  34.025  -8.402
  283   3HB   ALA  35          1HB       ALA  35   7.025  35.569  -9.006
  284    H    VAL  36           H        VAL  36   9.269  34.051  -6.163
  285    HA   VAL  36           HA       VAL  36   8.155  31.742  -4.992
  286    HB   VAL  36           HB       VAL  36  10.806  33.189  -4.700
  287   1HG1  VAL  36          3HG1      VAL  36   9.859  30.661  -3.293
  288   2HG1  VAL  36          2HG1      VAL  36  11.577  31.058  -3.529
  289   3HG1  VAL  36          1HG1      VAL  36  10.545  32.125  -2.552
  290   1HG2  VAL  36          2HG2      VAL  36  10.171  31.942  -6.807
  291   2HG2  VAL  36          1HG2      VAL  36  11.616  31.298  -5.995
  292   3HG2  VAL  36          3HG2      VAL  36  10.052  30.462  -5.832
  293    H    TRP  37           H        TRP  37   9.372  34.746  -3.359
  294    HA   TRP  37           HA       TRP  37   8.602  33.941  -0.751
  295   1HB   TRP  37          1HB       TRP  37   9.024  36.643  -2.045
  296   2HB   TRP  37          2HB       TRP  37   8.615  36.467  -0.334
  297    HD1  TRP  37           HD1      TRP  37  11.465  37.161  -2.214
  298    HE1  TRP  37           HE1      TRP  37  13.679  36.368  -1.166
  299    HE3  TRP  37           HE3      TRP  37   9.600  33.810   1.185
  300    HZ2  TRP  37           HZ2      TRP  37  14.513  34.540   0.858
  301    HZ3  TRP  37           HZ3      TRP  37  11.155  32.552   2.650
  302    HH2  TRP  37           HH2      TRP  37  13.606  32.905   2.481
  303    H    ALA  38           H        ALA  38   6.810  35.680  -3.325
  304    HA   ALA  38           HA       ALA  38   4.585  36.463  -1.758
  305   1HB   ALA  38          1HB       ALA  38   5.054  37.277  -4.051
  306   2HB   ALA  38          2HB       ALA  38   4.670  35.666  -4.698
  307   3HB   ALA  38          3HB       ALA  38   3.402  36.629  -3.908
  308    H    ALA  39           H        ALA  39   5.054  33.508  -3.786
  309    HA   ALA  39           HA       ALA  39   2.567  32.304  -3.103
  310   1HB   ALA  39          2HB       ALA  39   5.217  31.089  -3.976
  311   2HB   ALA  39          1HB       ALA  39   3.657  30.232  -3.954
  312   3HB   ALA  39          3HB       ALA  39   3.894  31.624  -5.038
  313    H    ILE  40           H        ILE  40   5.862  31.990  -1.668
  314    HA   ILE  40           HA       ILE  40   5.261  29.950   0.192
  315    HB   ILE  40           HB       ILE  40   7.299  32.186   0.066
  316   1HG1  ILE  40          1HG1      ILE  40   7.586  29.146   0.107
  317   2HG1  ILE  40          2HG1      ILE  40   7.414  30.099  -1.384
  318   1HG2  ILE  40          3HG2      ILE  40   6.935  30.153   2.315
  319   2HG2  ILE  40          1HG2      ILE  40   8.401  31.126   2.068
  320   3HG2  ILE  40          2HG2      ILE  40   6.867  31.925   2.461
  321   1HD1  ILE  40          1HD1      ILE  40   9.434  31.467  -0.575
  322   2HD1  ILE  40          3HD1      ILE  40   9.676  30.199   0.650
  323   3HD1  ILE  40          2HD1      ILE  40   9.766  29.793  -1.078
  324    H    LYS  41           H        LYS  41   4.805  33.506   0.385
  325    HA   LYS  41           HA       LYS  41   3.999  33.397   3.178
  326   1HB   LYS  41          2HB       LYS  41   3.888  35.548   1.023
  327   2HB   LYS  41          1HB       LYS  41   3.355  35.809   2.700
  328   1HG   LYS  41          2HG       LYS  41   6.117  34.690   2.135
  329   2HG   LYS  41          1HG       LYS  41   5.816  36.438   2.028
  330   1HD   LYS  41          1HD       LYS  41   4.950  36.443   4.347
  331   2HD   LYS  41          2HD       LYS  41   5.229  34.689   4.463
  332   1HE   LYS  41          2HE       LYS  41   7.649  35.046   4.062
  333   2HE   LYS  41          1HE       LYS  41   7.373  36.797   3.945
  334   1HZ   LYS  41          1HZ       LYS  41   6.843  35.136   6.311
  335   2HZ   LYS  41          2HZ       LYS  41   8.127  36.155   6.115
  336   3HZ   LYS  41          3HZ       LYS  41   6.596  36.765   6.201
  337    H    GLU  42           H        GLU  42   2.426  33.371  -0.013
  338    HA   GLU  42           HA       GLU  42  -0.206  33.944   0.878
  339   1HB   GLU  42          1HB       GLU  42   0.581  34.056  -1.483
  340   2HB   GLU  42          2HB       GLU  42   0.703  32.282  -1.508
  341   1HG   GLU  42          2HG       GLU  42  -1.714  32.098  -1.031
  342   2HG   GLU  42          1HG       GLU  42  -1.843  33.870  -0.953
  343    H    LEU  43           H        LEU  43   1.299  30.758   0.033
  344    HA   LEU  43           HA       LEU  43  -0.943  29.342   1.308
  345   1HB   LEU  43          1HB       LEU  43   1.612  28.311   0.004
  346   2HB   LEU  43          2HB       LEU  43   0.201  27.332   0.460
  347    HG   LEU  43           HG       LEU  43   0.212  29.600  -1.594
  348   1HD1  LEU  43          3HD1      LEU  43   1.382  27.549  -2.344
  349   2HD1  LEU  43          1HD1      LEU  43  -0.045  26.576  -1.912
  350   3HD1  LEU  43          2HD1      LEU  43  -0.147  27.778  -3.223
  351   1HD2  LEU  43          2HD2      LEU  43  -1.970  27.741  -0.559
  352   2HD2  LEU  43          3HD2      LEU  43  -1.972  29.522  -0.582
  353   3HD2  LEU  43          1HD2      LEU  43  -2.098  28.613  -2.104
  354    H    HIS  44           H        HIS  44   1.810  30.833   2.481
  355    HA   HIS  44           HA       HIS  44   2.953  30.713   4.447
  356   1HB   HIS  44          1HB       HIS  44   1.025  28.586   5.409
  357   2HB   HIS  44          2HB       HIS  44   1.918  29.780   6.365
  358    HD1  HIS  44           HD1      HIS  44   1.056  32.265   4.416
  359    HD2  HIS  44           HD2      HIS  44  -1.481  29.514   6.295
  360    HE1  HIS  44           HE1      HIS  44  -1.235  33.346   4.631
  361    H    TYR  45           H        TYR  45   3.151  28.570   2.160
  362    HA   TYR  45           HA       TYR  45   4.115  26.492   1.790
  363   1HB   TYR  45          1HB       TYR  45   5.876  28.167   1.575
  364   2HB   TYR  45          2HB       TYR  45   6.226  28.062   3.306
  365    HD1  TYR  45           HD1      TYR  45   5.545  25.081   1.136
  366    HD2  TYR  45           HD2      TYR  45   8.540  27.474   3.103
  367    HE1  TYR  45           HE1      TYR  45   7.231  23.322   0.710
  368    HE2  TYR  45           HE2      TYR  45  10.225  25.705   2.677
  369    HH   TYR  45           HH       TYR  45   9.389  22.624   1.074
  370    H    SER  46           H        SER  46   2.414  25.761   3.625
  371    HA   SER  46           HA       SER  46   3.644  24.823   6.078
  372   1HB   SER  46          2HB       SER  46   0.985  24.023   4.841
  373   2HB   SER  46          1HB       SER  46   1.466  23.898   6.548
  374    HG   SER  46           HG       SER  46   1.797  26.280   6.339
  375    HA   PRO  47           HA       PRO  47   5.251  21.177   4.001
  376   1HB   PRO  47          1HB       PRO  47   6.215  19.981   6.376
  377   2HB   PRO  47          2HB       PRO  47   7.133  21.060   5.290
  378   1HG   PRO  47          1HG       PRO  47   6.001  21.625   7.957
  379   2HG   PRO  47          2HG       PRO  47   7.221  22.544   7.028
  380   1HD   PRO  47          2HD       PRO  47   4.463  23.212   7.403
  381   2HD   PRO  47          1HD       PRO  47   5.636  24.021   6.322
  382    H    SER  48           H        SER  48   3.925  20.643   7.320
  383    HA   SER  48           HA       SER  48   2.562  18.196   6.410
  384   1HB   SER  48          2HB       SER  48   2.626  19.492   9.167
  385   2HB   SER  48          1HB       SER  48   2.183  17.813   8.769
  386    HG   SER  48           HG       SER  48   4.346  17.572   7.965
  387    H    ALA  49           H        ALA  49   0.295  18.059   7.828
  388    HA   ALA  49           HA       ALA  49  -1.285  20.524   7.465
  389   1HB   ALA  49          3HB       ALA  49  -1.879  17.914   6.005
  390   2HB   ALA  49          2HB       ALA  49  -2.980  19.310   6.101
  391   3HB   ALA  49          1HB       ALA  49  -1.420  19.464   5.262
  392    H    VAL  50           H        VAL  50  -1.307  17.003   8.233
  393    HA   VAL  50           HA       VAL  50  -3.593  17.219   9.996
  394    HB   VAL  50           HB       VAL  50  -2.811  14.849  10.650
  395   1HG1  VAL  50          2HG1      VAL  50  -3.347  15.523   7.723
  396   2HG1  VAL  50          3HG1      VAL  50  -3.564  13.922   8.470
  397   3HG1  VAL  50          1HG1      VAL  50  -4.577  15.291   8.989
  398   1HG2  VAL  50          1HG2      VAL  50  -0.387  15.366   9.855
  399   2HG2  VAL  50          2HG2      VAL  50  -1.087  13.799   9.389
  400   3HG2  VAL  50          3HG2      VAL  50  -1.015  15.126   8.208
  401    H    ALA  51           H        ALA  51  -2.615  19.134  11.156
  402    HA   ALA  51           HA       ALA  51  -1.569  18.241  13.720
  403   1HB   ALA  51          2HB       ALA  51   0.142  20.007  11.913
  404   2HB   ALA  51          3HB       ALA  51   0.458  19.683  13.634
  405   3HB   ALA  51          1HB       ALA  51   0.537  18.357  12.452
  406    H    ARG  52           H        ARG  52  -2.209  20.958  11.459
  407    HA   ARG  52           HA       ARG  52  -3.823  22.270  13.544
  408   1HB   ARG  52          2HB       ARG  52  -1.258  23.034  13.443
  409   2HB   ARG  52          1HB       ARG  52  -1.829  23.971  12.046
  410   1HG   ARG  52          2HG       ARG  52  -3.636  24.948  13.518
  411   2HG   ARG  52          1HG       ARG  52  -2.938  24.068  14.894
  412   1HD   ARG  52          2HD       ARG  52  -0.982  25.371  14.906
  413   2HD   ARG  52          1HD       ARG  52  -1.167  25.836  13.202
  414    HE   ARG  52           HE       ARG  52  -2.524  27.608  13.815
  415   1HH1  ARG  52          2HH1      ARG  52  -2.291  25.327  16.521
  416   2HH1  ARG  52          1HH1      ARG  52  -2.957  26.440  17.692
  417   1HH2  ARG  52          1HH2      ARG  52  -3.290  29.107  15.385
  418   2HH2  ARG  52          2HH2      ARG  52  -3.574  28.580  17.033
  419    H    SER  53           H        SER  53  -3.715  24.720  11.702
  420    HA   SER  53           HA       SER  53  -4.629  23.968   9.106
  421   1HB   SER  53          2HB       SER  53  -6.581  23.095  10.393
  422   2HB   SER  53          1HB       SER  53  -6.811  24.702  11.119
  423    HG   SER  53           HG       SER  53  -7.068  25.500   8.962
  424    H    LEU  54           H        LEU  54  -5.557  26.341  11.667
  425    HA   LEU  54           HA       LEU  54  -5.056  28.574   9.819
  426   1HB   LEU  54          1HB       LEU  54  -6.292  28.189  12.541
  427   2HB   LEU  54          2HB       LEU  54  -5.644  29.793  12.132
  428    HG   LEU  54           HG       LEU  54  -7.026  29.818  10.058
  429   1HD1  LEU  54          1HD1      LEU  54  -7.983  27.141  11.156
  430   2HD1  LEU  54          2HD1      LEU  54  -8.893  28.078   9.948
  431   3HD1  LEU  54          3HD1      LEU  54  -7.269  27.474   9.560
  432   1HD2  LEU  54          3HD2      LEU  54  -7.883  30.800  12.170
  433   2HD2  LEU  54          1HD2      LEU  54  -9.203  30.119  11.188
  434   3HD2  LEU  54          2HD2      LEU  54  -8.600  29.228  12.606
  435    H    LYS  55           H        LYS  55  -3.753  30.472  10.748
  436    HA   LYS  55           HA       LYS  55  -1.080  29.546  11.311
  437   1HB   LYS  55          2HB       LYS  55  -2.284  32.347  11.431
  438   2HB   LYS  55          1HB       LYS  55  -0.548  31.953  11.381
  439   1HG   LYS  55          2HG       LYS  55  -1.075  30.693   9.186
  440   2HG   LYS  55          1HG       LYS  55  -2.630  31.554   9.205
  441   1HD   LYS  55          1HD       LYS  55   0.143  32.840   9.246
  442   2HD   LYS  55          2HD       LYS  55  -0.967  32.787   7.861
  443   1HE   LYS  55          2HE       LYS  55  -1.504  34.880   8.673
  444   2HE   LYS  55          1HE       LYS  55  -2.655  33.907   9.614
  445   1HZ   LYS  55          1HZ       LYS  55  -0.003  34.787  10.543
  446   2HZ   LYS  55          3HZ       LYS  55  -1.442  35.467  10.972
  447   3HZ   LYS  55          2HZ       LYS  55  -1.096  33.921  11.425
  448    H    VAL  56           H        VAL  56   0.039  31.144  13.129
  449    HA   VAL  56           HA       VAL  56  -1.383  30.545  15.684
  450    HB   VAL  56           HB       VAL  56   0.950  30.574  16.666
  451   1HG1  VAL  56          1HG1      VAL  56   0.391  28.528  14.471
  452   2HG1  VAL  56          2HG1      VAL  56   1.535  28.313  15.818
  453   3HG1  VAL  56          3HG1      VAL  56  -0.208  28.461  16.146
  454   1HG2  VAL  56          3HG2      VAL  56   1.990  31.869  14.766
  455   2HG2  VAL  56          1HG2      VAL  56   2.868  30.378  15.180
  456   3HG2  VAL  56          2HG2      VAL  56   1.822  30.423  13.743
   
  No H/Q in entry =         456
  Start of MODEL           3
 Raw file had  466 H/Q atoms
  Start of MODEL    3
    1   1H    MET   1          2H        MET   1   1.477  20.465   2.013
    2   2H    MET   1          3H        MET   1   0.287  19.328   1.923
    3   3H    MET   1          1H        MET   1   1.410  19.253   3.129
    4    HA   MET   1           HA       MET   1   3.157  18.837   1.569
    5   1HB   MET   1          1HB       MET   1   0.723  17.016   1.440
    6   2HB   MET   1          2HB       MET   1   2.292  16.590   0.718
    7   1HG   MET   1          1HG       MET   1   3.399  16.735   2.869
    8   2HG   MET   1          2HG       MET   1   1.942  17.390   3.631
    9   1HE   MET   1          3HE       MET   1   3.689  14.318   2.037
   10   2HE   MET   1          2HE       MET   1   2.480  13.022   2.198
   11   3HE   MET   1          1HE       MET   1   2.206  14.354   1.052
   12    H    ALA   2           H        ALA   2   3.792  18.409  -0.633
   13    HA   ALA   2           HA       ALA   2   3.882  18.974  -2.847
   14   1HB   ALA   2          2HB       ALA   2   2.151  17.183  -2.924
   15   2HB   ALA   2          3HB       ALA   2   0.885  18.421  -2.748
   16   3HB   ALA   2          1HB       ALA   2   1.919  18.407  -4.195
   17    H    THR   3           H        THR   3   4.193  21.208  -1.596
   18    HA   THR   3           HA       THR   3   2.287  23.141  -2.810
   19    HB   THR   3           HB       THR   3   2.990  24.597  -0.836
   20    HG1  THR   3           HG1      THR   3   3.759  23.393   0.958
   21   1HG2  THR   3          3HG2      THR   3   1.417  22.024  -0.401
   22   2HG2  THR   3          2HG2      THR   3   1.420  23.384   0.739
   23   3HG2  THR   3          1HG2      THR   3   0.774  23.602  -0.904
   24    H    ILE   4           H        ILE   4   5.612  22.937  -1.358
   25    HA   ILE   4           HA       ILE   4   6.683  25.114  -2.797
   26    HB   ILE   4           HB       ILE   4   7.592  23.670  -0.792
   27   1HG1  ILE   4          1HG1      ILE   4   8.769  25.650  -1.372
   28   2HG1  ILE   4          2HG1      ILE   4   9.984  24.357  -1.376
   29   1HG2  ILE   4          2HG2      ILE   4   7.763  21.549  -2.061
   30   2HG2  ILE   4          1HG2      ILE   4   9.007  22.283  -3.101
   31   3HG2  ILE   4          3HG2      ILE   4   9.319  22.054  -1.368
   32   1HD1  ILE   4          1HD1      ILE   4   9.587  24.182  -3.908
   33   2HD1  ILE   4          2HD1      ILE   4   8.697  25.717  -3.763
   34   3HD1  ILE   4          3HD1      ILE   4  10.415  25.641  -3.328
   35    H    LYS   5           H        LYS   5   6.552  21.625  -3.623
   36    HA   LYS   5           HA       LYS   5   8.084  21.728  -5.990
   37   1HB   LYS   5          1HB       LYS   5   5.808  19.942  -5.046
   38   2HB   LYS   5          2HB       LYS   5   6.716  19.633  -6.538
   39   1HG   LYS   5          1HG       LYS   5   8.162  20.060  -3.901
   40   2HG   LYS   5          2HG       LYS   5   7.491  18.467  -4.322
   41   1HD   LYS   5          1HD       LYS   5   8.828  18.392  -6.375
   42   2HD   LYS   5          2HD       LYS   5   9.412  20.047  -6.097
   43   1HE   LYS   5          1HE       LYS   5  11.143  18.510  -5.380
   44   2HE   LYS   5          2HE       LYS   5  10.441  19.274  -3.938
   45   1HZ   LYS   5          1HZ       LYS   5   9.730  16.612  -4.970
   46   2HZ   LYS   5          3HZ       LYS   5  10.725  16.907  -3.687
   47   3HZ   LYS   5          2HZ       LYS   5   9.131  17.317  -3.604
   48    H    ASP   6           H        ASP   6   4.512  21.678  -5.628
   49    HA   ASP   6           HA       ASP   6   3.894  22.125  -8.343
   50   1HB   ASP   6          1HB       ASP   6   2.361  22.932  -5.836
   51   2HB   ASP   6          2HB       ASP   6   1.678  22.797  -7.471
   52    H    VAL   7           H        VAL   7   4.165  24.505  -5.651
   53    HA   VAL   7           HA       VAL   7   3.538  26.844  -7.054
   54    HB   VAL   7           HB       VAL   7   5.404  26.260  -4.724
   55   1HG1  VAL   7          3HG1      VAL   7   4.712  28.920  -6.022
   56   2HG1  VAL   7          1HG1      VAL   7   5.285  28.781  -4.352
   57   3HG1  VAL   7          2HG1      VAL   7   6.328  28.258  -5.682
   58   1HG2  VAL   7          2HG2      VAL   7   2.780  26.104  -4.663
   59   2HG2  VAL   7          3HG2      VAL   7   3.623  26.988  -3.371
   60   3HG2  VAL   7          1HG2      VAL   7   2.853  27.879  -4.699
   61    H    ALA   8           H        ALA   8   6.796  25.416  -6.472
   62    HA   ALA   8           HA       ALA   8   8.278  27.345  -7.853
   63   1HB   ALA   8          1HB       ALA   8   9.225  25.615  -6.361
   64   2HB   ALA   8          2HB       ALA   8   8.815  24.359  -7.550
   65   3HB   ALA   8          3HB       ALA   8  10.026  25.598  -7.945
   66    H    LYS   9           H        LYS   9   7.193  24.130  -9.129
   67    HA   LYS   9           HA       LYS   9   8.140  24.622 -11.754
   68   1HB   LYS   9          1HB       LYS   9   5.923  22.820 -10.727
   69   2HB   LYS   9          2HB       LYS   9   6.598  22.756 -12.375
   70   1HG   LYS   9          2HG       LYS   9   8.916  22.505 -11.267
   71   2HG   LYS   9          1HG       LYS   9   8.054  22.226  -9.739
   72   1HD   LYS   9          1HD       LYS   9   7.858  20.577 -12.302
   73   2HD   LYS   9          2HD       LYS   9   8.537  20.061 -10.743
   74   1HE   LYS   9          2HE       LYS   9   5.616  20.711 -11.349
   75   2HE   LYS   9          1HE       LYS   9   6.302  19.117 -10.987
   76   1HZ   LYS   9          3HZ       LYS   9   6.243  21.400  -9.132
   77   2HZ   LYS   9          2HZ       LYS   9   5.232  20.094  -9.088
   78   3HZ   LYS   9          1HZ       LYS   9   6.844  19.898  -8.808
   79    H    ARG  10           H        ARG  10   5.041  25.479 -10.174
   80    HA   ARG  10           HA       ARG  10   3.712  26.321 -12.569
   81   1HB   ARG  10          1HB       ARG  10   2.421  25.925 -10.570
   82   2HB   ARG  10          2HB       ARG  10   3.403  27.069  -9.635
   83   1HG   ARG  10          2HG       ARG  10   1.253  28.091 -10.228
   84   2HG   ARG  10          1HG       ARG  10   2.576  28.941 -11.051
   85   1HD   ARG  10          2HD       ARG  10   2.114  27.636 -13.121
   86   2HD   ARG  10          1HD       ARG  10   0.809  26.776 -12.282
   87    HE   ARG  10           HE       ARG  10  -0.569  28.620 -12.548
   88   1HH1  ARG  10          1HH1      ARG  10   2.805  29.536 -13.200
   89   2HH1  ARG  10          2HH1      ARG  10   2.385  31.119 -13.819
   90   1HH2  ARG  10          2HH2      ARG  10  -1.094  30.717 -13.343
   91   2HH2  ARG  10          1HH2      ARG  10   0.170  31.791 -13.897
   92    H    ALA  11           H        ALA  11   6.022  27.860 -10.326
   93    HA   ALA  11           HA       ALA  11   5.845  30.460 -11.683
   94   1HB   ALA  11          1HB       ALA  11   6.213  30.316  -9.246
   95   2HB   ALA  11          3HB       ALA  11   7.721  29.415  -9.523
   96   3HB   ALA  11          2HB       ALA  11   7.586  31.106 -10.058
   97    H    ASN  12           H        ASN  12   6.997  27.616 -12.724
   98    HA   ASN  12           HA       ASN  12   8.388  27.017 -14.404
   99   1HB   ASN  12          1HB       ASN  12   7.689  29.186 -15.430
  100   2HB   ASN  12          2HB       ASN  12   9.090  29.967 -14.672
  101   1HD2  ASN  12          1HD2      ASN  12  10.040  27.020 -17.443
  102   2HD2  ASN  12          2HD2      ASN  12   8.797  26.726 -16.250
  103    H    VAL  13           H        VAL  13   9.277  26.773 -11.765
  104    HA   VAL  13           HA       VAL  13  12.176  26.673 -12.302
  105    HB   VAL  13           HB       VAL  13  12.555  27.419  -9.861
  106   1HG1  VAL  13          3HG1      VAL  13  13.176  28.735 -11.913
  107   2HG1  VAL  13          1HG1      VAL  13  11.586  29.531 -11.831
  108   3HG1  VAL  13          2HG1      VAL  13  12.759  29.756 -10.516
  109   1HG2  VAL  13          3HG2      VAL  13  10.176  27.409  -9.175
  110   2HG2  VAL  13          1HG2      VAL  13  10.919  29.001  -8.946
  111   3HG2  VAL  13          2HG2      VAL  13   9.840  28.718 -10.328
  112    H    SER  14           H        SER  14  13.150  24.865 -11.306
  113    HA   SER  14           HA       SER  14  11.294  22.736 -10.671
  114   1HB   SER  14          1HB       SER  14  14.331  22.929 -10.508
  115   2HB   SER  14          2HB       SER  14  13.400  21.431 -10.267
  116    HG   SER  14           HG       SER  14  13.299  23.069 -12.588
  117    H    THR  15           H        THR  15  14.000  24.081  -8.776
  118    HA   THR  15           HA       THR  15  12.616  24.678  -6.400
  119    HB   THR  15           HB       THR  15  12.144  22.295  -6.158
  120    HG1  THR  15           HG1      THR  15  14.279  23.149  -4.503
  121   1HG2  THR  15          3HG2      THR  15  14.011  21.464  -7.625
  122   2HG2  THR  15          2HG2      THR  15  15.156  21.844  -6.316
  123   3HG2  THR  15          1HG2      THR  15  13.905  20.605  -6.072
  124    H    THR  16           H        THR  16  15.553  23.533  -8.018
  125    HA   THR  16           HA       THR  16  17.495  24.377  -6.148
  126    HB   THR  16           HB       THR  16  18.915  24.638  -8.291
  127    HG1  THR  16           HG1      THR  16  17.895  23.863 -10.156
  128   1HG2  THR  16          3HG2      THR  16  18.814  22.555  -6.945
  129   2HG2  THR  16          1HG2      THR  16  17.362  22.048  -7.841
  130   3HG2  THR  16          2HG2      THR  16  18.921  22.195  -8.684
  131    H    THR  17           H        THR  17  15.979  26.141  -8.905
  132    HA   THR  17           HA       THR  17  17.329  28.584  -8.568
  133    HB   THR  17           HB       THR  17  14.444  28.236  -9.460
  134    HG1  THR  17           HG1      THR  17  15.465  27.898 -11.527
  135   1HG2  THR  17          1HG2      THR  17  16.679  30.180 -10.188
  136   2HG2  THR  17          2HG2      THR  17  15.098  30.111 -10.997
  137   3HG2  THR  17          3HG2      THR  17  15.198  30.565  -9.280
  138    H    VAL  18           H        VAL  18  14.457  27.258  -6.873
  139    HA   VAL  18           HA       VAL  18  13.841  29.711  -5.479
  140    HB   VAL  18           HB       VAL  18  13.144  26.794  -4.924
  141   1HG1  VAL  18          3HG1      VAL  18  12.281  29.377  -3.577
  142   2HG1  VAL  18          1HG1      VAL  18  11.318  27.885  -3.489
  143   3HG1  VAL  18          2HG1      VAL  18  12.964  27.923  -2.817
  144   1HG2  VAL  18          2HG2      VAL  18  11.580  29.115  -6.134
  145   2HG2  VAL  18          1HG2      VAL  18  12.202  27.700  -7.014
  146   3HG2  VAL  18          3HG2      VAL  18  10.923  27.495  -5.798
  147    H    SER  19           H        SER  19  15.884  26.845  -4.819
  148    HA   SER  19           HA       SER  19  16.508  27.476  -2.117
  149   1HB   SER  19          2HB       SER  19  18.276  26.078  -4.166
  150   2HB   SER  19          1HB       SER  19  18.363  25.935  -2.397
  151    HG   SER  19           HG       SER  19  16.144  25.202  -4.026
  152    H    HIS  20           H        HIS  20  17.797  28.662  -5.235
  153    HA   HIS  20           HA       HIS  20  20.157  29.906  -4.242
  154   1HB   HIS  20          1HB       HIS  20  18.362  30.736  -6.549
  155   2HB   HIS  20          2HB       HIS  20  20.011  31.302  -6.268
  156    HD1  HIS  20           HD1      HIS  20  19.697  30.045  -8.926
  157    HD2  HIS  20           HD2      HIS  20  20.424  27.745  -5.508
  158    HE1  HIS  20           HE1      HIS  20  20.671  27.818  -9.684
  159    H    VAL  21           H        VAL  21  16.738  30.883  -4.161
  160    HA   VAL  21           HA       VAL  21  17.175  33.655  -3.607
  161    HB   VAL  21           HB       VAL  21  14.871  31.814  -2.821
  162   1HG1  VAL  21          3HG1      VAL  21  15.251  34.819  -2.728
  163   2HG1  VAL  21          2HG1      VAL  21  13.637  34.082  -2.835
  164   3HG1  VAL  21          1HG1      VAL  21  14.684  33.734  -1.439
  165   1HG2  VAL  21          1HG2      VAL  21  15.298  33.692  -5.188
  166   2HG2  VAL  21          3HG2      VAL  21  15.232  31.916  -5.253
  167   3HG2  VAL  21          2HG2      VAL  21  13.779  32.843  -4.819
  168    H    ILE  22           H        ILE  22  16.565  30.840  -1.419
  169    HA   ILE  22           HA       ILE  22  16.908  32.326   1.002
  170    HB   ILE  22           HB       ILE  22  17.012  29.390   0.242
  171   1HG1  ILE  22          1HG1      ILE  22  14.849  30.817   0.480
  172   2HG1  ILE  22          2HG1      ILE  22  14.914  29.265   1.341
  173   1HG2  ILE  22          3HG2      ILE  22  17.642  30.648   2.940
  174   2HG2  ILE  22          2HG2      ILE  22  17.078  28.969   2.769
  175   3HG2  ILE  22          1HG2      ILE  22  18.610  29.471   2.022
  176   1HD1  ILE  22          3HD1      ILE  22  15.647  31.928   2.642
  177   2HD1  ILE  22          2HD1      ILE  22  14.031  31.203   2.729
  178   3HD1  ILE  22          1HD1      ILE  22  15.417  30.359   3.447
  179    H    ASN  23           H        ASN  23  19.146  30.218  -0.870
  180    HA   ASN  23           HA       ASN  23  21.386  30.502   0.834
  181   1HB   ASN  23          1HB       ASN  23  20.937  28.885  -1.131
  182   2HB   ASN  23          2HB       ASN  23  21.505  30.196  -2.185
  183   1HD2  ASN  23          1HD2      ASN  23  24.440  28.038  -1.510
  184   2HD2  ASN  23          2HD2      ASN  23  22.894  27.896  -2.318
  185    H    LYS  24           H        LYS  24  20.057  32.591  -1.706
  186    HA   LYS  24           HA       LYS  24  20.549  34.716  -2.355
  187   1HB   LYS  24          2HB       LYS  24  20.638  34.944   0.239
  188   2HB   LYS  24          1HB       LYS  24  22.403  35.001   0.028
  189   1HG   LYS  24          1HG       LYS  24  22.219  36.947  -1.437
  190   2HG   LYS  24          2HG       LYS  24  20.446  36.821  -1.448
  191   1HD   LYS  24          2HD       LYS  24  21.127  38.581   0.111
  192   2HD   LYS  24          1HD       LYS  24  20.430  37.221   1.024
  193   1HE   LYS  24          2HE       LYS  24  22.633  36.423   1.651
  194   2HE   LYS  24          1HE       LYS  24  23.423  37.571   0.547
  195   1HZ   LYS  24          3HZ       LYS  24  21.836  38.283   2.916
  196   2HZ   LYS  24          1HZ       LYS  24  23.481  38.315   2.812
  197   3HZ   LYS  24          2HZ       LYS  24  22.578  39.348   1.896
  198    H    THR  25           H        THR  25  21.918  32.685  -3.605
  199    HA   THR  25           HA       THR  25  24.680  33.785  -3.933
  200    HB   THR  25           HB       THR  25  25.120  31.440  -4.895
  201    HG1  THR  25           HG1      THR  25  23.615  29.882  -3.995
  202   1HG2  THR  25          2HG2      THR  25  24.354  31.741  -1.957
  203   2HG2  THR  25          3HG2      THR  25  25.396  30.463  -2.625
  204   3HG2  THR  25          1HG2      THR  25  25.924  32.161  -2.677
  205    H    ARG  26           H        ARG  26  22.926  31.513  -6.039
  206    HA   ARG  26           HA       ARG  26  23.292  33.413  -8.286
  207   1HB   ARG  26          2HB       ARG  26  22.462  30.480  -8.242
  208   2HB   ARG  26          1HB       ARG  26  22.831  31.437  -9.692
  209   1HG   ARG  26          2HG       ARG  26  24.767  30.739  -7.431
  210   2HG   ARG  26          1HG       ARG  26  24.772  30.061  -9.071
  211   1HD   ARG  26          1HD       ARG  26  25.396  32.919  -8.225
  212   2HD   ARG  26          2HD       ARG  26  26.474  31.762  -9.023
  213    HE   ARG  26           HE       ARG  26  24.506  33.493 -10.282
  214   1HH1  ARG  26          1HH1      ARG  26  26.272  30.432 -10.572
  215   2HH1  ARG  26          2HH1      ARG  26  26.144  30.369 -12.312
  216   1HH2  ARG  26          1HH2      ARG  26  24.325  33.389 -12.575
  217   2HH2  ARG  26          2HH2      ARG  26  25.022  32.049 -13.454
  218    H    PHE  27           H        PHE  27  21.433  34.488  -6.717
  219    HA   PHE  27           HA       PHE  27  18.760  33.506  -7.217
  220   1HB   PHE  27          1HB       PHE  27  18.113  35.763  -6.303
  221   2HB   PHE  27          2HB       PHE  27  19.146  34.794  -5.240
  222    HD1  PHE  27           HD2      PHE  27  19.115  37.694  -7.592
  223    HD2  PHE  27           HD1      PHE  27  21.308  35.564  -4.562
  224    HE1  PHE  27           HE2      PHE  27  20.736  39.572  -7.444
  225    HE2  PHE  27           HE1      PHE  27  22.927  37.439  -4.414
  226    HZ   PHE  27           HZ       PHE  27  22.641  39.445  -5.855
  227    H    VAL  28           H        VAL  28  17.226  34.254  -8.693
  228    HA   VAL  28           HA       VAL  28  18.365  35.455 -11.122
  229    HB   VAL  28           HB       VAL  28  15.533  34.463 -10.589
  230   1HG1  VAL  28          2HG1      VAL  28  17.144  34.897 -13.145
  231   2HG1  VAL  28          3HG1      VAL  28  15.500  34.224 -13.061
  232   3HG1  VAL  28          1HG1      VAL  28  15.793  35.909 -12.581
  233   1HG2  VAL  28          1HG2      VAL  28  18.008  33.001 -11.613
  234   2HG2  VAL  28          2HG2      VAL  28  17.071  32.622 -10.147
  235   3HG2  VAL  28          3HG2      VAL  28  16.349  32.375 -11.753
  236    H    ALA  29           H        ALA  29  18.791  37.551 -10.134
  237    HA   ALA  29           HA       ALA  29  18.302  39.743  -9.686
  238   1HB   ALA  29          2HB       ALA  29  17.401  39.442 -12.039
  239   2HB   ALA  29          3HB       ALA  29  15.784  39.249 -11.323
  240   3HB   ALA  29          1HB       ALA  29  16.673  40.779 -11.121
  241    H    GLU  30           H        GLU  30  15.397  40.725  -9.640
  242    HA   GLU  30           HA       GLU  30  14.735  39.768  -6.888
  243   1HB   GLU  30          1HB       GLU  30  14.465  42.483  -8.222
  244   2HB   GLU  30          2HB       GLU  30  13.642  42.062  -6.698
  245   1HG   GLU  30          1HG       GLU  30  15.859  41.444  -5.718
  246   2HG   GLU  30          2HG       GLU  30  16.649  41.997  -7.207
  247    H    GLU  31           H        GLU  31  13.616  40.314 -10.181
  248    HA   GLU  31           HA       GLU  31  10.835  40.389  -9.808
  249   1HB   GLU  31          2HB       GLU  31  12.476  39.096 -12.032
  250   2HB   GLU  31          1HB       GLU  31  10.737  39.452 -12.125
  251   1HG   GLU  31          1HG       GLU  31  12.955  41.507 -11.690
  252   2HG   GLU  31          2HG       GLU  31  12.082  41.227 -13.210
  253    H    THR  32           H        THR  32  12.810  37.452 -10.613
  254    HA   THR  32           HA       THR  32  10.699  35.621 -10.098
  255    HB   THR  32           HB       THR  32  13.677  35.091  -9.830
  256    HG1  THR  32           HG1      THR  32  12.069  35.236 -12.168
  257   1HG2  THR  32          2HG2      THR  32  11.302  33.410 -10.750
  258   2HG2  THR  32          3HG2      THR  32  13.001  32.882 -10.793
  259   3HG2  THR  32          1HG2      THR  32  12.213  33.213  -9.234
  260    H    ARG  33           H        ARG  33  13.304  36.974  -8.060
  261    HA   ARG  33           HA       ARG  33  13.103  35.349  -5.804
  262   1HB   ARG  33          1HB       ARG  33  14.613  37.438  -6.466
  263   2HB   ARG  33          2HB       ARG  33  13.419  38.331  -5.497
  264   1HG   ARG  33          2HG       ARG  33  13.805  36.607  -3.653
  265   2HG   ARG  33          1HG       ARG  33  15.177  36.010  -4.618
  266   1HD   ARG  33          1HD       ARG  33  14.807  38.829  -3.514
  267   2HD   ARG  33          2HD       ARG  33  15.989  37.619  -2.966
  268    HE   ARG  33           HE       ARG  33  16.386  38.038  -5.749
  269   1HH1  ARG  33          2HH2      ARG  33  16.734  39.731  -2.654
  270   2HH1  ARG  33          1HH2      ARG  33  17.983  40.807  -3.231
  271   1HH2  ARG  33          1HH1      ARG  33  18.033  39.448  -6.496
  272   2HH2  ARG  33          2HH1      ARG  33  18.765  40.608  -5.408
  273    H    ASN  34           H        ASN  34  11.228  38.324  -6.591
  274    HA   ASN  34           HA       ASN  34   9.634  38.213  -4.195
  275   1HB   ASN  34          1HB       ASN  34  10.134  40.266  -5.558
  276   2HB   ASN  34          2HB       ASN  34   9.080  39.625  -6.836
  277   1HD2  ASN  34          1HD2      ASN  34   7.513  41.301  -3.416
  278   2HD2  ASN  34          2HD2      ASN  34   9.232  41.028  -3.605
  279    H    ALA  35           H        ALA  35   9.064  37.308  -7.640
  280    HA   ALA  35           HA       ALA  35   6.373  36.553  -7.431
  281   1HB   ALA  35          1HB       ALA  35   7.639  36.777  -9.547
  282   2HB   ALA  35          3HB       ALA  35   8.561  35.308  -9.145
  283   3HB   ALA  35          2HB       ALA  35   6.809  35.205  -9.443
  284    H    VAL  36           H        VAL  36   9.335  34.672  -6.676
  285    HA   VAL  36           HA       VAL  36   8.084  32.154  -6.319
  286    HB   VAL  36           HB       VAL  36  10.625  33.444  -5.277
  287   1HG1  VAL  36          3HG1      VAL  36   9.513  30.684  -4.626
  288   2HG1  VAL  36          2HG1      VAL  36  11.233  31.109  -4.475
  289   3HG1  VAL  36          1HG1      VAL  36  10.026  31.946  -3.479
  290   1HG2  VAL  36          3HG2      VAL  36  10.342  32.656  -7.687
  291   2HG2  VAL  36          1HG2      VAL  36  11.687  31.900  -6.800
  292   3HG2  VAL  36          2HG2      VAL  36  10.167  31.006  -7.046
  293    H    TRP  37           H        TRP  37   9.095  34.537  -3.771
  294    HA   TRP  37           HA       TRP  37   7.842  33.165  -1.649
  295   1HB   TRP  37          1HB       TRP  37   8.582  36.070  -2.056
  296   2HB   TRP  37          2HB       TRP  37   7.920  35.456  -0.532
  297    HD1  TRP  37           HD1      TRP  37  11.068  36.361  -1.795
  298    HE1  TRP  37           HE1      TRP  37  13.054  35.078  -0.770
  299    HE3  TRP  37           HE3      TRP  37   8.509  32.441   0.284
  300    HZ2  TRP  37           HZ2      TRP  37  13.467  32.667   0.718
  301    HZ3  TRP  37           HZ3      TRP  37   9.741  30.661   1.486
  302    HH2  TRP  37           HH2      TRP  37  12.207  30.757   1.693
  303    H    ALA  38           H        ALA  38   6.542  35.603  -3.920
  304    HA   ALA  38           HA       ALA  38   4.094  36.067  -2.552
  305   1HB   ALA  38          3HB       ALA  38   4.725  36.121  -5.534
  306   2HB   ALA  38          2HB       ALA  38   3.294  36.846  -4.766
  307   3HB   ALA  38          1HB       ALA  38   4.917  37.476  -4.398
  308    H    ALA  39           H        ALA  39   4.832  33.830  -5.302
  309    HA   ALA  39           HA       ALA  39   2.293  32.606  -5.416
  310   1HB   ALA  39          2HB       ALA  39   4.026  32.444  -7.167
  311   2HB   ALA  39          3HB       ALA  39   5.027  31.445  -6.085
  312   3HB   ALA  39          1HB       ALA  39   3.458  30.834  -6.665
  313    H    ILE  40           H        ILE  40   5.213  31.748  -3.506
  314    HA   ILE  40           HA       ILE  40   4.407  29.254  -2.525
  315    HB   ILE  40           HB       ILE  40   6.171  31.473  -1.456
  316   1HG1  ILE  40          1HG1      ILE  40   6.722  28.600  -2.342
  317   2HG1  ILE  40          2HG1      ILE  40   6.865  30.020  -3.398
  318   1HG2  ILE  40          2HG2      ILE  40   5.139  30.279   0.517
  319   2HG2  ILE  40          3HG2      ILE  40   5.777  28.758  -0.143
  320   3HG2  ILE  40          1HG2      ILE  40   6.889  30.037   0.380
  321   1HD1  ILE  40          1HD1      ILE  40   8.524  30.983  -1.744
  322   2HD1  ILE  40          2HD1      ILE  40   8.487  29.422  -0.891
  323   3HD1  ILE  40          3HD1      ILE  40   9.072  29.506  -2.565
  324    H    LYS  41           H        LYS  41   3.880  32.464  -0.907
  325    HA   LYS  41           HA       LYS  41   2.146  31.144   1.048
  326   1HB   LYS  41          1HB       LYS  41   2.106  33.284   2.151
  327   2HB   LYS  41          2HB       LYS  41   3.771  33.000   1.595
  328   1HG   LYS  41          2HG       LYS  41   3.097  34.333  -0.526
  329   2HG   LYS  41          1HG       LYS  41   1.668  34.847   0.396
  330   1HD   LYS  41          1HD       LYS  41   4.569  35.223   1.286
  331   2HD   LYS  41          2HD       LYS  41   3.555  36.481   0.545
  332   1HE   LYS  41          2HE       LYS  41   3.154  36.979   2.760
  333   2HE   LYS  41          1HE       LYS  41   1.876  35.770   2.521
  334   1HZ   LYS  41          1HZ       LYS  41   3.390  34.124   3.405
  335   2HZ   LYS  41          3HZ       LYS  41   4.542  35.274   3.657
  336   3HZ   LYS  41          2HZ       LYS  41   3.121  35.331   4.493
  337    H    GLU  42           H        GLU  42   1.607  32.071  -2.107
  338    HA   GLU  42           HA       GLU  42  -1.038  33.271  -1.632
  339   1HB   GLU  42          1HB       GLU  42   0.287  34.176  -3.452
  340   2HB   GLU  42          2HB       GLU  42   0.507  32.563  -4.157
  341   1HG   GLU  42          1HG       GLU  42  -2.315  33.462  -3.701
  342   2HG   GLU  42          2HG       GLU  42  -1.409  34.292  -4.982
  343    H    LEU  43           H        LEU  43   0.429  30.284  -3.010
  344    HA   LEU  43           HA       LEU  43  -2.138  29.084  -3.542
  345   1HB   LEU  43          1HB       LEU  43   0.739  28.262  -3.698
  346   2HB   LEU  43          2HB       LEU  43  -0.486  26.974  -3.647
  347    HG   LEU  43           HG       LEU  43  -0.877  29.326  -5.515
  348   1HD1  LEU  43          1HD1      LEU  43   0.908  26.902  -5.981
  349   2HD1  LEU  43          2HD1      LEU  43   0.265  27.920  -7.289
  350   3HD1  LEU  43          3HD1      LEU  43   1.361  28.621  -6.081
  351   1HD2  LEU  43          2HD2      LEU  43  -2.697  27.660  -5.141
  352   2HD2  LEU  43          3HD2      LEU  43  -2.100  27.625  -6.815
  353   3HD2  LEU  43          1HD2      LEU  43  -1.600  26.361  -5.666
  354    H    HIS  44           H        HIS  44   0.256  27.265  -1.564
  355    HA   HIS  44           HA       HIS  44  -1.489  27.338   0.786
  356   1HB   HIS  44          1HB       HIS  44  -1.356  24.896  -1.027
  357   2HB   HIS  44          2HB       HIS  44  -1.894  24.818   0.658
  358    HD1  HIS  44           HD1      HIS  44  -3.095  25.528  -2.766
  359    HD2  HIS  44           HD2      HIS  44  -4.345  26.370   1.140
  360    HE1  HIS  44           HE1      HIS  44  -5.536  26.235  -2.872
  361    H    TYR  45           H        TYR  45   1.532  27.492  -0.147
  362    HA   TYR  45           HA       TYR  45   2.810  25.265   1.188
  363   1HB   TYR  45          1HB       TYR  45   3.986  26.655  -0.463
  364   2HB   TYR  45          2HB       TYR  45   3.804  28.072   0.579
  365    HD1  TYR  45           HD1      TYR  45   5.610  24.868   0.111
  366    HD2  TYR  45           HD2      TYR  45   5.164  28.373   2.582
  367    HE1  TYR  45           HE1      TYR  45   7.746  24.341   1.262
  368    HE2  TYR  45           HE2      TYR  45   7.302  27.840   3.720
  369    HH   TYR  45           HH       TYR  45   9.264  24.980   2.848
  370    H    SER  46           H        SER  46   2.444  24.862   3.322
  371    HA   SER  46           HA       SER  46   3.035  26.947   5.279
  372   1HB   SER  46          1HB       SER  46   0.655  27.407   4.697
  373   2HB   SER  46          2HB       SER  46   0.241  25.737   5.151
  374    HG   SER  46           HG       SER  46   1.345  27.759   6.815
  375    HA   PRO  47           HA       PRO  47   4.095  22.668   6.562
  376   1HB   PRO  47          2HB       PRO  47   6.571  23.461   7.663
  377   2HB   PRO  47          1HB       PRO  47   6.317  22.758   6.043
  378   1HG   PRO  47          1HG       PRO  47   6.953  25.543   6.782
  379   2HG   PRO  47          2HG       PRO  47   7.037  24.750   5.184
  380   1HD   PRO  47          2HD       PRO  47   5.021  26.564   6.148
  381   2HD   PRO  47          1HD       PRO  47   5.053  25.697   4.582
  382    H    SER  48           H        SER  48   2.224  23.283   8.008
  383    HA   SER  48           HA       SER  48   2.977  24.532  10.579
  384   1HB   SER  48          2HB       SER  48   0.875  25.138   9.292
  385   2HB   SER  48          1HB       SER  48   0.270  23.500   9.645
  386    HG   SER  48           HG       SER  48   0.972  25.544  11.487
  387    H    ALA  49           H        ALA  49   2.397  23.506  12.606
  388    HA   ALA  49           HA       ALA  49   2.433  21.804  14.116
  389   1HB   ALA  49          1HB       ALA  49   0.352  21.160  12.808
  390   2HB   ALA  49          2HB       ALA  49   1.365  20.002  11.913
  391   3HB   ALA  49          3HB       ALA  49   1.158  19.829  13.671
  392    H    VAL  50           H        VAL  50   4.718  22.236  12.063
  393    HA   VAL  50           HA       VAL  50   6.226  19.840  12.911
  394    HB   VAL  50           HB       VAL  50   7.199  19.574  10.629
  395   1HG1  VAL  50          3HG1      VAL  50   5.242  18.198  11.437
  396   2HG1  VAL  50          2HG1      VAL  50   4.162  19.330  10.590
  397   3HG1  VAL  50          1HG1      VAL  50   5.335  18.363   9.669
  398   1HG2  VAL  50          1HG2      VAL  50   5.012  21.545   9.829
  399   2HG2  VAL  50          3HG2      VAL  50   6.766  21.822   9.737
  400   3HG2  VAL  50          2HG2      VAL  50   6.002  20.600   8.696
  401    H    ALA  51           H        ALA  51   8.442  20.225  13.148
  402    HA   ALA  51           HA       ALA  51   9.688  22.682  12.268
  403   1HB   ALA  51          1HB       ALA  51   8.931  22.390  15.212
  404   2HB   ALA  51          2HB       ALA  51  10.090  23.587  14.577
  405   3HB   ALA  51          3HB       ALA  51   8.381  23.658  14.093
  406    H    ARG  52           H        ARG  52  10.846  21.790  15.355
  407    HA   ARG  52           HA       ARG  52  13.185  20.525  14.279
  408   1HB   ARG  52          1HB       ARG  52  13.768  20.139  16.643
  409   2HB   ARG  52          2HB       ARG  52  13.208  21.805  16.387
  410   1HG   ARG  52          2HG       ARG  52  10.963  21.198  17.238
  411   2HG   ARG  52          1HG       ARG  52  11.491  19.516  17.464
  412   1HD   ARG  52          2HD       ARG  52  12.804  21.914  18.806
  413   2HD   ARG  52          1HD       ARG  52  11.549  20.909  19.565
  414    HE   ARG  52           HE       ARG  52  13.594  19.181  18.644
  415   1HH1  ARG  52          1HH1      ARG  52  13.092  21.745  21.037
  416   2HH1  ARG  52          2HH1      ARG  52  14.290  21.129  22.150
  417   1HH2  ARG  52          2HH2      ARG  52  15.180  18.375  20.116
  418   2HH2  ARG  52          1HH2      ARG  52  15.480  19.204  21.627
  419    H    SER  53           H        SER  53  10.025  19.404  15.272
  420    HA   SER  53           HA       SER  53  10.797  16.628  14.571
  421   1HB   SER  53          2HB       SER  53   9.170  17.411  17.033
  422   2HB   SER  53          1HB       SER  53   9.565  15.757  16.505
  423    HG   SER  53           HG       SER  53  11.013  16.458  18.095
  424    H    LEU  54           H        LEU  54   8.619  15.299  14.474
  425    HA   LEU  54           HA       LEU  54   6.872  16.738  12.632
  426   1HB   LEU  54          2HB       LEU  54   7.203  13.897  13.607
  427   2HB   LEU  54          1HB       LEU  54   5.677  14.361  12.832
  428    HG   LEU  54           HG       LEU  54   7.380  13.383  11.251
  429   1HD1  LEU  54          2HD1      LEU  54   5.533  15.029  10.593
  430   2HD1  LEU  54          1HD1      LEU  54   6.787  16.291  10.584
  431   3HD1  LEU  54          3HD1      LEU  54   6.912  14.911   9.474
  432   1HD2  LEU  54          3HD2      LEU  54   9.371  14.464  12.382
  433   2HD2  LEU  54          2HD2      LEU  54   9.335  14.647  10.613
  434   3HD2  LEU  54          1HD2      LEU  54   8.870  16.010  11.655
  435    H    LYS  55           H        LYS  55   4.381  16.171  12.959
  436    HA   LYS  55           HA       LYS  55   3.502  17.645  15.229
  437   1HB   LYS  55          2HB       LYS  55   1.266  17.091  14.469
  438   2HB   LYS  55          1HB       LYS  55   2.283  17.410  13.047
  439   1HG   LYS  55          1HG       LYS  55   2.654  14.906  12.853
  440   2HG   LYS  55          2HG       LYS  55   1.447  14.689  14.142
  441   1HD   LYS  55          1HD       LYS  55  -0.229  15.903  12.763
  442   2HD   LYS  55          2HD       LYS  55   0.979  16.077  11.465
  443   1HE   LYS  55          1HE       LYS  55   1.162  13.610  11.306
  444   2HE   LYS  55          2HE       LYS  55  -0.035  13.433  12.608
  445   1HZ   LYS  55          1HZ       LYS  55  -0.513  14.703  10.001
  446   2HZ   LYS  55          2HZ       LYS  55  -1.024  13.202  10.454
  447   3HZ   LYS  55          3HZ       LYS  55  -1.625  14.537  11.210
  448    H    VAL  56           H        VAL  56   4.213  14.232  14.752
  449    HA   VAL  56           HA       VAL  56   3.794  13.731  17.596
  450    HB   VAL  56           HB       VAL  56   1.521  13.370  16.536
  451   1HG1  VAL  56          3HG1      VAL  56   2.446  12.521  14.335
  452   2HG1  VAL  56          1HG1      VAL  56   2.890  11.011  15.165
  453   3HG1  VAL  56          2HG1      VAL  56   1.182  11.488  15.041
  454   1HG2  VAL  56          1HG2      VAL  56   2.255  12.179  18.598
  455   2HG2  VAL  56          3HG2      VAL  56   1.149  11.195  17.611
  456   3HG2  VAL  56          2HG2      VAL  56   2.896  10.859  17.590
   
  No H/Q in entry =         456
  Start of MODEL           4
 Raw file had  466 H/Q atoms
  Start of MODEL    4
    1   1H    MET   1          2H        MET   1   1.409  21.662  -4.015
    2   2H    MET   1          1H        MET   1   0.007  20.838  -3.722
    3   3H    MET   1          3H        MET   1   0.367  22.180  -2.841
    4    HA   MET   1           HA       MET   1   0.739  20.277  -1.507
    5   1HB   MET   1          1HB       MET   1   1.126  18.795  -3.543
    6   2HB   MET   1          2HB       MET   1   2.785  19.435  -3.594
    7   1HG   MET   1          1HG       MET   1   3.003  18.733  -1.156
    8   2HG   MET   1          2HG       MET   1   1.455  17.897  -1.329
    9   1HE   MET   1          2HE       MET   1   1.018  15.813  -2.728
   10   2HE   MET   1          1HE       MET   1   1.541  16.636  -4.218
   11   3HE   MET   1          3HE       MET   1   2.194  15.032  -3.810
   12    H    ALA   2           H        ALA   2   1.763  21.236   0.157
   13    HA   ALA   2           HA       ALA   2   3.735  23.269  -0.181
   14   1HB   ALA   2          1HB       ALA   2   2.873  21.647   2.245
   15   2HB   ALA   2          3HB       ALA   2   3.915  23.087   2.308
   16   3HB   ALA   2          2HB       ALA   2   2.237  23.229   1.735
   17    H    THR   3           H        THR   3   5.324  22.182  -1.567
   18    HA   THR   3           HA       THR   3   7.464  20.969   0.059
   19    HB   THR   3           HB       THR   3   6.671  19.409  -2.389
   20    HG1  THR   3           HG1      THR   3   5.384  18.081  -1.007
   21   1HG2  THR   3          2HG2      THR   3   8.798  18.958  -1.163
   22   2HG2  THR   3          1HG2      THR   3   7.861  18.628   0.312
   23   3HG2  THR   3          3HG2      THR   3   7.693  17.566  -1.105
   24    H    ILE   4           H        ILE   4   6.961  23.415  -1.564
   25    HA   ILE   4           HA       ILE   4   7.983  24.721  -3.155
   26    HB   ILE   4           HB       ILE   4  10.301  22.772  -3.194
   27   1HG1  ILE   4          1HG1      ILE   4   9.547  24.718  -0.956
   28   2HG1  ILE   4          2HG1      ILE   4   9.723  22.954  -0.819
   29   1HG2  ILE   4          2HG2      ILE   4  10.214  24.903  -4.613
   30   2HG2  ILE   4          1HG2      ILE   4  10.220  25.820  -3.092
   31   3HG2  ILE   4          3HG2      ILE   4  11.606  24.789  -3.519
   32   1HD1  ILE   4          1HD1      ILE   4  12.147  23.254  -1.575
   33   2HD1  ILE   4          3HD1      ILE   4  11.909  25.003  -1.326
   34   3HD1  ILE   4          2HD1      ILE   4  11.750  23.880   0.042
   35    H    LYS   5           H        LYS   5   6.309  22.336  -3.842
   36    HA   LYS   5           HA       LYS   5   7.394  21.248  -6.312
   37   1HB   LYS   5          1HB       LYS   5   6.140  19.627  -5.276
   38   2HB   LYS   5          2HB       LYS   5   5.082  20.801  -4.476
   39   1HG   LYS   5          2HG       LYS   5   3.780  19.513  -6.069
   40   2HG   LYS   5          1HG       LYS   5   3.900  21.178  -6.642
   41   1HD   LYS   5          2HD       LYS   5   6.091  20.130  -7.876
   42   2HD   LYS   5          1HD       LYS   5   5.086  18.669  -7.766
   43   1HE   LYS   5          1HE       LYS   5   4.395  21.319  -9.105
   44   2HE   LYS   5          2HE       LYS   5   4.567  19.726  -9.869
   45   1HZ   LYS   5          1HZ       LYS   5   2.660  19.054  -8.436
   46   2HZ   LYS   5          3HZ       LYS   5   2.432  20.657  -8.085
   47   3HZ   LYS   5          2HZ       LYS   5   2.308  20.120  -9.643
   48    H    ASP   6           H        ASP   6   4.459  23.220  -5.458
   49    HA   ASP   6           HA       ASP   6   4.053  23.811  -8.306
   50   1HB   ASP   6          1HB       ASP   6   2.572  24.963  -5.914
   51   2HB   ASP   6          2HB       ASP   6   2.046  24.948  -7.605
   52    H    VAL   7           H        VAL   7   5.328  25.466  -5.418
   53    HA   VAL   7           HA       VAL   7   5.325  28.120  -6.330
   54    HB   VAL   7           HB       VAL   7   7.202  26.538  -4.538
   55   1HG1  VAL   7          3HG1      VAL   7   7.273  29.514  -5.211
   56   2HG1  VAL   7          1HG1      VAL   7   8.102  28.781  -3.818
   57   3HG1  VAL   7          2HG1      VAL   7   8.575  28.327  -5.470
   58   1HG2  VAL   7          1HG2      VAL   7   4.826  27.058  -3.834
   59   2HG2  VAL   7          3HG2      VAL   7   6.068  27.755  -2.768
   60   3HG2  VAL   7          2HG2      VAL   7   5.228  28.784  -3.950
   61    H    ALA   8           H        ALA   8   7.902  25.619  -6.742
   62    HA   ALA   8           HA       ALA   8   9.620  27.276  -8.296
   63   1HB   ALA   8          2HB       ALA   8  10.248  25.160  -7.087
   64   2HB   ALA   8          1HB       ALA   8   9.373  24.240  -8.333
   65   3HB   ALA   8          3HB       ALA   8  10.796  25.209  -8.777
   66    H    LYS   9           H        LYS   9   7.110  24.871  -9.229
   67    HA   LYS   9           HA       LYS   9   7.626  25.091 -12.033
   68   1HB   LYS   9          1HB       LYS   9   5.316  24.047 -10.373
   69   2HB   LYS   9          2HB       LYS   9   5.289  24.018 -12.152
   70   1HG   LYS   9          2HG       LYS   9   7.725  22.958 -10.702
   71   2HG   LYS   9          1HG       LYS   9   6.261  21.948 -10.792
   72   1HD   LYS   9          1HD       LYS   9   6.306  21.885 -13.173
   73   2HD   LYS   9          2HD       LYS   9   7.420  23.267 -13.272
   74   1HE   LYS   9          2HE       LYS   9   8.614  21.166 -13.740
   75   2HE   LYS   9          1HE       LYS   9   9.215  21.908 -12.243
   76   1HZ   LYS   9          1HZ       LYS   9   7.256  19.723 -12.388
   77   2HZ   LYS   9          2HZ       LYS   9   8.853  19.553 -12.019
   78   3HZ   LYS   9          3HZ       LYS   9   7.859  20.395 -11.008
   79    H    ARG  10           H        ARG  10   5.758  27.097  -9.784
   80    HA   ARG  10           HA       ARG  10   4.019  28.330 -11.669
   81   1HB   ARG  10          1HB       ARG  10   3.886  28.558  -9.167
   82   2HB   ARG  10          2HB       ARG  10   5.321  29.604  -9.218
   83   1HG   ARG  10          1HG       ARG  10   3.072  30.307 -11.074
   84   2HG   ARG  10          2HG       ARG  10   2.783  30.567  -9.341
   85   1HD   ARG  10          2HD       ARG  10   5.407  31.523 -10.440
   86   2HD   ARG  10          1HD       ARG  10   3.962  32.426 -10.920
   87    HE   ARG  10           HE       ARG  10   5.185  32.308  -8.262
   88   1HH1  ARG  10          2HH2      ARG  10   2.158  32.833 -10.023
   89   2HH1  ARG  10          1HH2      ARG  10   1.530  33.989  -8.871
   90   1HH2  ARG  10          2HH1      ARG  10   4.388  33.897  -6.788
   91   2HH2  ARG  10          1HH1      ARG  10   2.778  34.555  -7.000
   92    H    ALA  11           H        ALA  11   7.380  29.064 -10.637
   93    HA   ALA  11           HA       ALA  11   7.603  31.249 -12.589
   94   1HB   ALA  11          3HB       ALA  11   9.560  29.963 -10.644
   95   2HB   ALA  11          1HB       ALA  11   9.954  31.342 -11.697
   96   3HB   ALA  11          2HB       ALA  11   8.702  31.508 -10.443
   97    H    ASN  12           H        ASN  12   7.569  27.931 -12.830
   98    HA   ASN  12           HA       ASN  12   8.155  26.482 -14.478
   99   1HB   ASN  12          1HB       ASN  12   7.621  28.649 -15.864
  100   2HB   ASN  12          2HB       ASN  12   9.378  28.717 -16.109
  101   1HD2  ASN  12          1HD2      ASN  12   9.518  25.710 -18.105
  102   2HD2  ASN  12          2HD2      ASN  12  10.418  26.627 -16.912
  103    H    VAL  13           H        VAL  13   9.822  26.583 -12.325
  104    HA   VAL  13           HA       VAL  13  12.411  25.884 -13.583
  105    HB   VAL  13           HB       VAL  13  13.642  27.062 -11.759
  106   1HG1  VAL  13          3HG1      VAL  13  13.283  28.091 -14.025
  107   2HG1  VAL  13          1HG1      VAL  13  11.869  28.945 -13.362
  108   3HG1  VAL  13          2HG1      VAL  13  13.490  29.284 -12.722
  109   1HG2  VAL  13          1HG2      VAL  13  11.756  27.174 -10.130
  110   2HG2  VAL  13          2HG2      VAL  13  12.492  28.768 -10.417
  111   3HG2  VAL  13          3HG2      VAL  13  10.946  28.353 -11.186
  112    H    SER  14           H        SER  14  13.843  24.830 -11.775
  113    HA   SER  14           HA       SER  14  12.181  22.746 -10.529
  114   1HB   SER  14          1HB       SER  14  15.209  23.067 -10.683
  115   2HB   SER  14          2HB       SER  14  14.319  21.600 -10.206
  116    HG   SER  14           HG       SER  14  13.361  21.652 -12.318
  117    H    THR  15           H        THR  15  12.665  22.046  -8.280
  118    HA   THR  15           HA       THR  15  12.302  24.120  -6.413
  119    HB   THR  15           HB       THR  15  11.695  21.721  -6.087
  120    HG1  THR  15           HG1      THR  15  13.407  22.924  -4.171
  121   1HG2  THR  15          1HG2      THR  15  13.870  20.793  -6.994
  122   2HG2  THR  15          3HG2      THR  15  14.658  21.317  -5.488
  123   3HG2  THR  15          2HG2      THR  15  13.370  20.092  -5.440
  124    H    THR  16           H        THR  16  15.289  22.635  -7.653
  125    HA   THR  16           HA       THR  16  17.096  23.580  -5.689
  126    HB   THR  16           HB       THR  16  18.739  23.491  -7.672
  127    HG1  THR  16           HG1      THR  16  17.865  22.562  -9.543
  128   1HG2  THR  16          3HG2      THR  16  16.952  21.076  -7.119
  129   2HG2  THR  16          1HG2      THR  16  18.595  21.020  -7.799
  130   3HG2  THR  16          2HG2      THR  16  18.342  21.587  -6.131
  131    H    THR  17           H        THR  17  15.865  25.084  -8.708
  132    HA   THR  17           HA       THR  17  17.370  27.451  -8.643
  133    HB   THR  17           HB       THR  17  14.502  27.581  -9.504
  134    HG1  THR  17           HG1      THR  17  14.874  25.548 -10.157
  135   1HG2  THR  17          1HG2      THR  17  16.142  29.384  -9.998
  136   2HG2  THR  17          3HG2      THR  17  17.166  28.207 -10.855
  137   3HG2  THR  17          2HG2      THR  17  15.552  28.611 -11.488
  138    H    VAL  18           H        VAL  18  14.258  26.633  -7.024
  139    HA   VAL  18           HA       VAL  18  13.822  29.241  -5.932
  140    HB   VAL  18           HB       VAL  18  12.894  26.476  -5.040
  141   1HG1  VAL  18          1HG1      VAL  18  12.140  29.273  -4.112
  142   2HG1  VAL  18          3HG1      VAL  18  11.091  27.859  -3.860
  143   3HG1  VAL  18          2HG1      VAL  18  12.707  27.910  -3.119
  144   1HG2  VAL  18          2HG2      VAL  18  11.587  28.711  -6.652
  145   2HG2  VAL  18          3HG2      VAL  18  12.105  27.126  -7.273
  146   3HG2  VAL  18          1HG2      VAL  18  10.763  27.232  -6.109
  147    H    SER  19           H        SER  19  15.488  26.295  -4.696
  148    HA   SER  19           HA       SER  19  16.060  27.253  -2.102
  149   1HB   SER  19          1HB       SER  19  16.374  24.902  -2.981
  150   2HB   SER  19          2HB       SER  19  17.845  25.472  -3.806
  151    HG   SER  19           HG       SER  19  18.534  26.219  -1.688
  152    H    HIS  20           H        HIS  20  17.726  27.801  -5.234
  153    HA   HIS  20           HA       HIS  20  20.085  28.988  -4.220
  154   1HB   HIS  20          1HB       HIS  20  18.588  29.593  -6.792
  155   2HB   HIS  20          2HB       HIS  20  20.264  30.038  -6.446
  156    HD1  HIS  20           HD1      HIS  20  19.880  28.303  -8.888
  157    HD2  HIS  20           HD2      HIS  20  20.338  26.696  -5.051
  158    HE1  HIS  20           HE1      HIS  20  20.698  25.907  -9.148
  159    H    VAL  21           H        VAL  21  16.798  30.242  -4.534
  160    HA   VAL  21           HA       VAL  21  17.586  33.032  -4.180
  161    HB   VAL  21           HB       VAL  21  14.855  31.714  -3.824
  162   1HG1  VAL  21          2HG1      VAL  21  15.722  34.591  -4.353
  163   2HG1  VAL  21          3HG1      VAL  21  14.038  34.013  -4.312
  164   3HG1  VAL  21          1HG1      VAL  21  15.032  33.963  -2.837
  165   1HG2  VAL  21          3HG2      VAL  21  16.260  32.866  -6.267
  166   2HG2  VAL  21          2HG2      VAL  21  15.609  31.226  -6.062
  167   3HG2  VAL  21          1HG2      VAL  21  14.502  32.610  -6.183
  168    H    ILE  22           H        ILE  22  16.262  30.384  -2.138
  169    HA   ILE  22           HA       ILE  22  15.891  31.886   0.226
  170    HB   ILE  22           HB       ILE  22  16.645  28.949  -0.129
  171   1HG1  ILE  22          1HG1      ILE  22  13.933  30.320   0.225
  172   2HG1  ILE  22          2HG1      ILE  22  14.557  29.674  -1.308
  173   1HG2  ILE  22          1HG2      ILE  22  17.045  29.810   2.184
  174   2HG2  ILE  22          3HG2      ILE  22  15.372  30.409   2.236
  175   3HG2  ILE  22          2HG2      ILE  22  15.695  28.662   2.132
  176   1HD1  ILE  22          3HD1      ILE  22  14.804  27.421  -0.083
  177   2HD1  ILE  22          1HD1      ILE  22  13.800  28.139   1.201
  178   3HD1  ILE  22          2HD1      ILE  22  13.149  27.960  -0.445
  179    H    ASN  23           H        ASN  23  18.713  29.784  -0.677
  180    HA   ASN  23           HA       ASN  23  20.298  30.844   1.513
  181   1HB   ASN  23          1HB       ASN  23  22.139  29.529   0.460
  182   2HB   ASN  23          2HB       ASN  23  20.678  28.579   0.789
  183   1HD2  ASN  23          1HD2      ASN  23  20.804  27.327  -2.488
  184   2HD2  ASN  23          2HD2      ASN  23  20.764  27.007  -0.768
  185    H    LYS  24           H        LYS  24  19.503  31.980  -1.640
  186    HA   LYS  24           HA       LYS  24  20.142  33.817  -2.813
  187   1HB   LYS  24          2HB       LYS  24  20.558  34.439  -0.027
  188   2HB   LYS  24          1HB       LYS  24  21.803  35.259  -0.982
  189   1HG   LYS  24          2HG       LYS  24  20.193  36.382  -2.329
  190   2HG   LYS  24          1HG       LYS  24  18.875  35.319  -1.797
  191   1HD   LYS  24          1HD       LYS  24  20.373  37.322  -0.037
  192   2HD   LYS  24          2HD       LYS  24  18.745  37.553  -0.712
  193   1HE   LYS  24          2HE       LYS  24  19.643  35.598   1.433
  194   2HE   LYS  24          1HE       LYS  24  18.365  36.822   1.513
  195   1HZ   LYS  24          3HZ       LYS  24  17.099  35.521  -0.040
  196   2HZ   LYS  24          1HZ       LYS  24  18.288  34.378  -0.128
  197   3HZ   LYS  24          2HZ       LYS  24  17.478  34.620   1.289
  198    H    THR  25           H        THR  25  21.817  31.390  -2.921
  199    HA   THR  25           HA       THR  25  24.585  32.214  -3.068
  200    HB   THR  25           HB       THR  25  23.783  29.842  -2.782
  201    HG1  THR  25           HG1      THR  25  25.506  30.612  -4.881
  202   1HG2  THR  25          3HG2      THR  25  21.954  30.119  -4.584
  203   2HG2  THR  25          2HG2      THR  25  23.252  29.903  -5.774
  204   3HG2  THR  25          1HG2      THR  25  22.886  28.607  -4.616
  205    H    ARG  26           H        ARG  26  21.789  32.311  -5.216
  206    HA   ARG  26           HA       ARG  26  23.356  33.915  -7.156
  207   1HB   ARG  26          2HB       ARG  26  21.726  31.420  -7.780
  208   2HB   ARG  26          1HB       ARG  26  22.067  32.667  -9.000
  209   1HG   ARG  26          2HG       ARG  26  24.510  32.386  -8.581
  210   2HG   ARG  26          1HG       ARG  26  24.146  31.095  -7.416
  211   1HD   ARG  26          1HD       ARG  26  22.915  29.882  -9.274
  212   2HD   ARG  26          2HD       ARG  26  23.526  31.114 -10.396
  213    HE   ARG  26           HE       ARG  26  25.634  30.146 -10.321
  214   1HH1  ARG  26          1HH2      ARG  26  23.622  28.860  -7.697
  215   2HH1  ARG  26          2HH2      ARG  26  24.743  27.587  -7.280
  216   1HH2  ARG  26          1HH1      ARG  26  27.115  28.476  -9.744
  217   2HH2  ARG  26          2HH1      ARG  26  26.743  27.379  -8.434
  218    H    PHE  27           H        PHE  27  22.311  35.801  -6.585
  219    HA   PHE  27           HA       PHE  27  19.535  35.945  -5.923
  220   1HB   PHE  27          1HB       PHE  27  21.217  37.600  -5.210
  221   2HB   PHE  27          2HB       PHE  27  21.458  38.093  -6.896
  222    HD1  PHE  27           HD1      PHE  27  18.915  37.936  -4.150
  223    HD2  PHE  27           HD2      PHE  27  20.035  39.710  -7.915
  224    HE1  PHE  27           HE1      PHE  27  17.059  39.574  -3.934
  225    HE2  PHE  27           HE2      PHE  27  18.178  41.346  -7.694
  226    HZ   PHE  27           HZ       PHE  27  16.689  41.278  -5.706
  227    H    VAL  28           H        VAL  28  17.984  35.371  -7.325
  228    HA   VAL  28           HA       VAL  28  18.231  35.671 -10.191
  229    HB   VAL  28           HB       VAL  28  15.807  34.992 -10.169
  230   1HG1  VAL  28          2HG1      VAL  28  17.646  33.306 -10.148
  231   2HG1  VAL  28          1HG1      VAL  28  17.633  33.322  -8.369
  232   3HG1  VAL  28          3HG1      VAL  28  16.214  32.729  -9.263
  233   1HG2  VAL  28          3HG2      VAL  28  15.166  36.096  -8.052
  234   2HG2  VAL  28          1HG2      VAL  28  14.784  34.363  -8.003
  235   3HG2  VAL  28          2HG2      VAL  28  16.203  34.984  -7.137
  236    H    ALA  29           H        ALA  29  16.330  36.827 -11.385
  237    HA   ALA  29           HA       ALA  29  16.539  39.623 -10.844
  238   1HB   ALA  29          1HB       ALA  29  16.145  38.668 -13.096
  239   2HB   ALA  29          2HB       ALA  29  14.550  38.079 -12.566
  240   3HB   ALA  29          3HB       ALA  29  14.867  39.827 -12.655
  241    H    GLU  30           H        GLU  30  14.736  41.094 -10.359
  242    HA   GLU  30           HA       GLU  30  13.444  40.572  -7.949
  243   1HB   GLU  30          1HB       GLU  30  13.017  42.517 -10.219
  244   2HB   GLU  30          2HB       GLU  30  11.804  42.436  -8.917
  245   1HG   GLU  30          1HG       GLU  30  14.791  42.766  -8.410
  246   2HG   GLU  30          2HG       GLU  30  13.661  44.130  -8.546
  247    H    GLU  31           H        GLU  31  12.229  40.109 -11.291
  248    HA   GLU  31           HA       GLU  31   9.571  39.487 -10.728
  249   1HB   GLU  31          1HB       GLU  31  10.417  39.779 -12.991
  250   2HB   GLU  31          2HB       GLU  31  11.478  38.364 -12.830
  251   1HG   GLU  31          1HG       GLU  31   8.477  38.106 -12.456
  252   2HG   GLU  31          2HG       GLU  31   9.187  38.105 -14.082
  253    H    THR  32           H        THR  32  12.377  37.189 -10.884
  254    HA   THR  32           HA       THR  32  10.777  34.916 -10.314
  255    HB   THR  32           HB       THR  32  13.738  35.275  -9.797
  256    HG1  THR  32           HG1      THR  32  12.238  35.245 -12.140
  257   1HG2  THR  32          3HG2      THR  32  12.029  32.895 -10.641
  258   2HG2  THR  32          1HG2      THR  32  13.797  32.878 -10.445
  259   3HG2  THR  32          2HG2      THR  32  12.748  33.141  -9.032
  260    H    ARG  33           H        ARG  33  12.978  36.850  -8.132
  261    HA   ARG  33           HA       ARG  33  12.433  35.186  -5.888
  262   1HB   ARG  33          1HB       ARG  33  13.563  36.808  -4.553
  263   2HB   ARG  33          2HB       ARG  33  14.386  36.748  -6.120
  264   1HG   ARG  33          2HG       ARG  33  14.229  39.015  -6.002
  265   2HG   ARG  33          1HG       ARG  33  12.586  38.743  -6.600
  266   1HD   ARG  33          1HD       ARG  33  11.701  38.769  -4.319
  267   2HD   ARG  33          2HD       ARG  33  13.343  38.860  -3.652
  268    HE   ARG  33           HE       ARG  33  13.131  41.062  -5.342
  269   1HH1  ARG  33          1HH2      ARG  33  11.603  39.827  -2.394
  270   2HH1  ARG  33          2HH2      ARG  33  11.011  41.387  -1.882
  271   1HH2  ARG  33          1HH1      ARG  33  12.254  43.106  -4.718
  272   2HH2  ARG  33          2HH1      ARG  33  11.484  43.277  -3.151
  273    H    ASN  34           H        ASN  34  10.753  38.153  -7.085
  274    HA   ASN  34           HA       ASN  34   9.079  38.391  -4.753
  275   1HB   ASN  34          2HB       ASN  34   8.912  39.416  -7.598
  276   2HB   ASN  34          1HB       ASN  34   7.587  39.672  -6.447
  277   1HD2  ASN  34          1HD2      ASN  34  10.744  42.164  -6.379
  278   2HD2  ASN  34          2HD2      ASN  34  10.397  41.026  -7.671
  279    H    ALA  35           H        ALA  35   8.633  36.814  -7.968
  280    HA   ALA  35           HA       ALA  35   5.983  35.922  -7.546
  281   1HB   ALA  35          2HB       ALA  35   8.248  34.659  -9.147
  282   2HB   ALA  35          3HB       ALA  35   6.522  34.263  -9.314
  283   3HB   ALA  35          1HB       ALA  35   7.105  35.889  -9.733
  284    H    VAL  36           H        VAL  36   9.138  34.433  -6.696
  285    HA   VAL  36           HA       VAL  36   8.085  31.942  -5.786
  286    HB   VAL  36           HB       VAL  36  10.647  33.495  -5.322
  287   1HG1  VAL  36          2HG1      VAL  36   9.826  30.829  -4.093
  288   2HG1  VAL  36          1HG1      VAL  36  11.507  31.397  -4.203
  289   3HG1  VAL  36          3HG1      VAL  36  10.331  32.303  -3.230
  290   1HG2  VAL  36          1HG2      VAL  36  10.170  32.323  -7.510
  291   2HG2  VAL  36          2HG2      VAL  36  11.605  31.701  -6.662
  292   3HG2  VAL  36          3HG2      VAL  36  10.077  30.791  -6.612
  293    H    TRP  37           H        TRP  37   9.194  34.828  -3.868
  294    HA   TRP  37           HA       TRP  37   8.357  33.811  -1.368
  295   1HB   TRP  37          1HB       TRP  37   8.621  36.665  -2.359
  296   2HB   TRP  37          2HB       TRP  37   8.372  36.220  -0.666
  297    HD1  TRP  37           HD1      TRP  37  11.001  37.410  -2.587
  298    HE1  TRP  37           HE1      TRP  37  13.345  36.607  -1.890
  299    HE3  TRP  37           HE3      TRP  37   9.657  33.386   0.292
  300    HZ2  TRP  37           HZ2      TRP  37  14.469  34.516  -0.309
  301    HZ3  TRP  37           HZ3      TRP  37  11.409  32.015   1.382
  302    HH2  TRP  37           HH2      TRP  37  13.810  32.573   1.087
  303    H    ALA  38           H        ALA  38   6.554  35.641  -3.858
  304    HA   ALA  38           HA       ALA  38   4.234  36.125  -2.265
  305   1HB   ALA  38          1HB       ALA  38   4.574  35.810  -5.275
  306   2HB   ALA  38          2HB       ALA  38   3.123  36.453  -4.472
  307   3HB   ALA  38          3HB       ALA  38   4.667  37.328  -4.351
  308    H    ALA  39           H        ALA  39   4.997  33.534  -4.669
  309    HA   ALA  39           HA       ALA  39   2.587  32.108  -4.452
  310   1HB   ALA  39          1HB       ALA  39   5.405  31.073  -4.968
  311   2HB   ALA  39          3HB       ALA  39   3.898  30.198  -5.328
  312   3HB   ALA  39          2HB       ALA  39   4.278  31.705  -6.189
  313    H    ILE  40           H        ILE  40   5.619  31.769  -2.529
  314    HA   ILE  40           HA       ILE  40   4.906  29.473  -1.081
  315    HB   ILE  40           HB       ILE  40   6.649  31.873  -0.426
  316   1HG1  ILE  40          1HG1      ILE  40   7.446  28.977  -0.885
  317   2HG1  ILE  40          2HG1      ILE  40   7.154  30.073  -2.252
  318   1HG2  ILE  40          1HG2      ILE  40   6.176  29.334   1.207
  319   2HG2  ILE  40          3HG2      ILE  40   7.565  30.417   1.442
  320   3HG2  ILE  40          2HG2      ILE  40   5.920  31.013   1.734
  321   1HD1  ILE  40          1HD1      ILE  40   9.121  30.607   0.014
  322   2HD1  ILE  40          3HD1      ILE  40   9.557  30.010  -1.602
  323   3HD1  ILE  40          2HD1      ILE  40   8.854  31.631  -1.412
  324    H    LYS  41           H        LYS  41   4.133  32.925  -0.372
  325    HA   LYS  41           HA       LYS  41   2.864  32.239   2.154
  326   1HB   LYS  41          2HB       LYS  41   2.991  34.775   0.476
  327   2HB   LYS  41          1HB       LYS  41   2.176  34.674   2.056
  328   1HG   LYS  41          1HG       LYS  41   4.383  33.769   2.992
  329   2HG   LYS  41          2HG       LYS  41   5.134  34.246   1.454
  330   1HD   LYS  41          2HD       LYS  41   3.623  36.102   3.357
  331   2HD   LYS  41          1HD       LYS  41   5.391  36.007   3.202
  332   1HE   LYS  41          1HE       LYS  41   3.438  36.825   1.000
  333   2HE   LYS  41          2HE       LYS  41   4.498  37.913   1.916
  334   1HZ   LYS  41          1HZ       LYS  41   6.375  36.707   1.020
  335   2HZ   LYS  41          2HZ       LYS  41   5.369  35.759   0.116
  336   3HZ   LYS  41          3HZ       LYS  41   5.458  37.381  -0.173
  337    H    GLU  42           H        GLU  42   1.812  33.132  -1.153
  338    HA   GLU  42           HA       GLU  42  -0.931  33.339  -0.640
  339   1HB   GLU  42          1HB       GLU  42   0.662  32.546  -3.094
  340   2HB   GLU  42          2HB       GLU  42  -1.109  32.693  -3.129
  341   1HG   GLU  42          1HG       GLU  42   0.653  34.931  -2.073
  342   2HG   GLU  42          2HG       GLU  42   0.274  34.777  -3.801
  343    H    LEU  43           H        LEU  43   1.004  30.455  -1.615
  344    HA   LEU  43           HA       LEU  43  -1.373  28.741  -1.416
  345   1HB   LEU  43          1HB       LEU  43   1.515  28.372  -2.242
  346   2HB   LEU  43          2HB       LEU  43   0.508  26.961  -1.872
  347    HG   LEU  43           HG       LEU  43   0.570  27.591  -4.318
  348   1HD1  LEU  43          2HD1      LEU  43  -1.304  26.294  -3.196
  349   2HD1  LEU  43          3HD1      LEU  43  -2.215  27.820  -3.104
  350   3HD1  LEU  43          1HD1      LEU  43  -1.765  27.148  -4.687
  351   1HD2  LEU  43          3HD2      LEU  43   0.531  30.089  -3.895
  352   2HD2  LEU  43          2HD2      LEU  43  -0.631  29.520  -5.113
  353   3HD2  LEU  43          1HD2      LEU  43  -1.192  29.928  -3.478
  354    H    HIS  44           H        HIS  44   0.651  30.111   0.861
  355    HA   HIS  44           HA       HIS  44   1.130  29.636   3.052
  356   1HB   HIS  44          1HB       HIS  44  -1.016  27.525   2.844
  357   2HB   HIS  44          2HB       HIS  44  -0.520  28.425   4.284
  358    HD1  HIS  44           HD1      HIS  44  -3.013  28.431   1.594
  359    HD2  HIS  44           HD2      HIS  44  -1.195  31.334   4.000
  360    HE1  HIS  44           HE1      HIS  44  -4.441  30.534   1.481
  361    H    TYR  45           H        TYR  45   2.675  28.295   1.083
  362    HA   TYR  45           HA       TYR  45   3.043  25.518   1.500
  363   1HB   TYR  45          1HB       TYR  45   4.564  27.782   0.338
  364   2HB   TYR  45          2HB       TYR  45   5.556  26.434   0.912
  365    HD1  TYR  45           HD1      TYR  45   2.102  26.176  -0.496
  366    HD2  TYR  45           HD2      TYR  45   6.304  25.528  -1.151
  367    HE1  TYR  45           HE1      TYR  45   1.585  24.864  -2.532
  368    HE2  TYR  45           HE2      TYR  45   5.771  24.231  -3.183
  369    HH   TYR  45           HH       TYR  45   2.442  23.681  -4.292
  370    H    SER  46           H        SER  46   3.261  24.634   3.450
  371    HA   SER  46           HA       SER  46   5.451  25.637   5.200
  372   1HB   SER  46          1HB       SER  46   3.185  26.292   6.071
  373   2HB   SER  46          2HB       SER  46   2.754  24.565   6.131
  374    HG   SER  46           HG       SER  46   4.933  25.805   7.475
  375    HA   PRO  47           HA       PRO  47   5.978  21.238   3.843
  376   1HB   PRO  47          1HB       PRO  47   8.837  21.619   4.164
  377   2HB   PRO  47          2HB       PRO  47   7.911  21.335   2.662
  378   1HG   PRO  47          1HG       PRO  47   9.127  23.797   3.556
  379   2HG   PRO  47          2HG       PRO  47   8.169  23.520   2.075
  380   1HD   PRO  47          2HD       PRO  47   7.392  24.930   4.492
  381   2HD   PRO  47          1HD       PRO  47   6.455  24.703   2.988
  382    H    SER  48           H        SER  48   6.733  19.412   5.089
  383    HA   SER  48           HA       SER  48   7.218  18.236   6.990
  384   1HB   SER  48          1HB       SER  48   9.130  19.987   7.188
  385   2HB   SER  48          2HB       SER  48   8.098  20.767   8.411
  386    HG   SER  48           HG       SER  48   8.100  18.851   9.577
  387    H    ALA  49           H        ALA  49   5.273  17.558   7.681
  388    HA   ALA  49           HA       ALA  49   3.366  17.427   8.932
  389   1HB   ALA  49          1HB       ALA  49   4.900  18.529  10.703
  390   2HB   ALA  49          2HB       ALA  49   4.056  20.045  10.301
  391   3HB   ALA  49          3HB       ALA  49   3.141  18.660  10.933
  392    H    VAL  50           H        VAL  50   1.384  19.111   9.637
  393    HA   VAL  50           HA       VAL  50  -0.422  20.173   8.709
  394    HB   VAL  50           HB       VAL  50   1.607  21.989   7.341
  395   1HG1  VAL  50          2HG1      VAL  50  -0.810  22.385   6.882
  396   2HG1  VAL  50          3HG1      VAL  50  -1.122  22.473   8.631
  397   3HG1  VAL  50          1HG1      VAL  50  -0.108  23.706   7.843
  398   1HG2  VAL  50          2HG2      VAL  50   0.786  21.848  10.274
  399   2HG2  VAL  50          1HG2      VAL  50   2.431  21.739   9.603
  400   3HG2  VAL  50          3HG2      VAL  50   1.544  23.277   9.536
  401    H    ALA  51           H        ALA  51  -0.099  17.907   7.413
  402    HA   ALA  51           HA       ALA  51   0.402  18.231   4.568
  403   1HB   ALA  51          3HB       ALA  51  -0.802  15.946   6.189
  404   2HB   ALA  51          2HB       ALA  51  -0.312  15.855   4.479
  405   3HB   ALA  51          1HB       ALA  51   0.911  16.131   5.742
  406    H    ARG  52           H        ARG  52  -1.165  20.083   4.388
  407    HA   ARG  52           HA       ARG  52  -3.061  20.838   3.349
  408   1HB   ARG  52          1HB       ARG  52  -3.023  18.417   2.325
  409   2HB   ARG  52          2HB       ARG  52  -4.377  18.117   3.443
  410   1HG   ARG  52          1HG       ARG  52  -5.626  20.000   2.489
  411   2HG   ARG  52          2HG       ARG  52  -4.253  20.407   1.429
  412   1HD   ARG  52          1HD       ARG  52  -4.435  18.171   0.358
  413   2HD   ARG  52          2HD       ARG  52  -5.835  17.799   1.391
  414    HE   ARG  52           HE       ARG  52  -6.356  20.244   0.048
  415   1HH1  ARG  52          2HH1      ARG  52  -5.931  16.797  -0.652
  416   2HH1  ARG  52          1HH1      ARG  52  -6.950  16.821  -2.072
  417   1HH2  ARG  52          2HH2      ARG  52  -7.706  20.268  -1.826
  418   2HH2  ARG  52          1HH2      ARG  52  -7.968  18.798  -2.738
  419    H    SER  53           H        SER  53  -3.951  18.277   5.749
  420    HA   SER  53           HA       SER  53  -5.349  18.321   7.557
  421   1HB   SER  53          1HB       SER  53  -4.667  21.292   7.642
  422   2HB   SER  53          2HB       SER  53  -5.234  20.280   8.992
  423    HG   SER  53           HG       SER  53  -2.819  19.945   7.528
  424    H    LEU  54           H        LEU  54  -6.933  18.013   5.595
  425    HA   LEU  54           HA       LEU  54  -8.673  20.101   4.800
  426   1HB   LEU  54          2HB       LEU  54  -9.010  17.084   5.013
  427   2HB   LEU  54          1HB       LEU  54 -10.261  18.142   4.324
  428    HG   LEU  54           HG       LEU  54  -7.390  18.235   3.324
  429   1HD1  LEU  54          2HD1      LEU  54  -9.659  16.441   2.350
  430   2HD1  LEU  54          1HD1      LEU  54  -8.100  16.670   1.522
  431   3HD1  LEU  54          3HD1      LEU  54  -8.151  15.897   3.125
  432   1HD2  LEU  54          3HD2      LEU  54 -10.114  18.970   2.154
  433   2HD2  LEU  54          1HD2      LEU  54  -8.825  20.096   2.645
  434   3HD2  LEU  54          2HD2      LEU  54  -8.584  19.027   1.248
  435    H    LYS  55           H        LYS  55 -10.717  20.756   5.528
  436    HA   LYS  55           HA       LYS  55 -11.877  19.624   7.946
  437   1HB   LYS  55          2HB       LYS  55 -11.704  21.800   9.219
  438   2HB   LYS  55          1HB       LYS  55 -10.159  20.947   9.012
  439   1HG   LYS  55          2HG       LYS  55  -9.488  22.429   7.211
  440   2HG   LYS  55          1HG       LYS  55 -11.102  23.170   7.150
  441   1HD   LYS  55          1HD       LYS  55  -9.606  24.672   8.338
  442   2HD   LYS  55          2HD       LYS  55 -10.768  23.998   9.502
  443   1HE   LYS  55          1HE       LYS  55  -8.191  22.502   9.105
  444   2HE   LYS  55          2HE       LYS  55  -8.101  24.056   9.959
  445   1HZ   LYS  55          3HZ       LYS  55  -9.860  21.822  10.696
  446   2HZ   LYS  55          1HZ       LYS  55  -8.449  22.220  11.448
  447   3HZ   LYS  55          2HZ       LYS  55  -9.730  23.258  11.494
  448    H    VAL  56           H        VAL  56 -12.790  19.857   5.295
  449    HA   VAL  56           HA       VAL  56 -15.081  21.709   5.677
  450    HB   VAL  56           HB       VAL  56 -13.419  21.444   3.124
  451   1HG1  VAL  56          3HG1      VAL  56 -15.919  23.065   3.791
  452   2HG1  VAL  56          2HG1      VAL  56 -14.959  23.247   2.304
  453   3HG1  VAL  56          1HG1      VAL  56 -15.806  21.719   2.634
  454   1HG2  VAL  56          1HG2      VAL  56 -13.770  23.726   5.121
  455   2HG2  VAL  56          3HG2      VAL  56 -12.264  22.856   4.745
  456   3HG2  VAL  56          2HG2      VAL  56 -13.014  23.906   3.521
   
  No H/Q in entry =         456
  Start of MODEL           5
 Raw file had  466 H/Q atoms
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -2.551  20.494  -7.947
    2   2H    MET   1          2H        MET   1  -3.521  19.294  -7.361
    3   3H    MET   1          3H        MET   1  -3.841  20.869  -6.994
    4    HA   MET   1           HA       MET   1  -2.882  19.817  -5.120
    5   1HB   MET   1          1HB       MET   1  -1.668  18.099  -6.552
    6   2HB   MET   1          2HB       MET   1  -0.463  19.351  -6.915
    7   1HG   MET   1          2HG       MET   1   0.282  17.918  -5.060
    8   2HG   MET   1          1HG       MET   1   0.051  19.584  -4.530
    9   1HE   MET   1          2HE       MET   1  -1.206  15.935  -4.490
   10   2HE   MET   1          3HE       MET   1  -2.676  15.995  -3.490
   11   3HE   MET   1          1HE       MET   1  -2.679  16.714  -5.115
   12    H    ALA   2           H        ALA   2  -1.582  21.071  -3.678
   13    HA   ALA   2           HA       ALA   2  -0.266  23.466  -4.855
   14   1HB   ALA   2          2HB       ALA   2  -2.349  23.469  -2.629
   15   2HB   ALA   2          1HB       ALA   2  -1.378  24.874  -3.132
   16   3HB   ALA   2          3HB       ALA   2  -2.547  24.150  -4.261
   17    H    THR   3           H        THR   3   1.658  22.216  -4.360
   18    HA   THR   3           HA       THR   3   2.372  22.360  -1.460
   19    HB   THR   3           HB       THR   3   3.812  20.350  -1.880
   20    HG1  THR   3           HG1      THR   3   2.405  20.387  -4.358
   21   1HG2  THR   3          3HG2      THR   3   0.842  19.980  -2.467
   22   2HG2  THR   3          2HG2      THR   3   1.952  18.714  -1.895
   23   3HG2  THR   3          1HG2      THR   3   1.577  20.108  -0.853
   24    H    ILE   4           H        ILE   4   4.930  22.226  -1.309
   25    HA   ILE   4           HA       ILE   4   6.000  24.542  -2.488
   26    HB   ILE   4           HB       ILE   4   6.889  23.385  -0.460
   27   1HG1  ILE   4          1HG1      ILE   4   9.026  23.653  -2.616
   28   2HG1  ILE   4          2HG1      ILE   4   8.212  25.050  -1.874
   29   1HG2  ILE   4          3HG2      ILE   4   6.747  21.054  -1.501
   30   2HG2  ILE   4          1HG2      ILE   4   8.222  21.460  -2.410
   31   3HG2  ILE   4          2HG2      ILE   4   8.256  21.409  -0.635
   32   1HD1  ILE   4          3HD1      ILE   4   8.942  24.204   0.384
   33   2HD1  ILE   4          1HD1      ILE   4   9.874  22.932  -0.440
   34   3HD1  ILE   4          2HD1      ILE   4  10.298  24.642  -0.682
   35    H    LYS   5           H        LYS   5   5.869  21.199  -3.631
   36    HA   LYS   5           HA       LYS   5   7.770  21.346  -5.725
   37   1HB   LYS   5          1HB       LYS   5   5.192  19.757  -5.381
   38   2HB   LYS   5          2HB       LYS   5   6.374  19.466  -6.672
   39   1HG   LYS   5          1HG       LYS   5   8.136  19.084  -4.944
   40   2HG   LYS   5          2HG       LYS   5   6.918  19.332  -3.668
   41   1HD   LYS   5          2HD       LYS   5   5.585  17.433  -4.644
   42   2HD   LYS   5          1HD       LYS   5   6.907  17.140  -5.800
   43   1HE   LYS   5          1HE       LYS   5   7.216  17.107  -2.764
   44   2HE   LYS   5          2HE       LYS   5   6.997  15.659  -3.767
   45   1HZ   LYS   5          3HZ       LYS   5   9.013  16.254  -4.927
   46   2HZ   LYS   5          2HZ       LYS   5   9.227  17.563  -3.949
   47   3HZ   LYS   5          1HZ       LYS   5   9.290  16.042  -3.316
   48    H    ASP   6           H        ASP   6   4.189  21.618  -5.889
   49    HA   ASP   6           HA       ASP   6   3.993  22.476  -8.553
   50   1HB   ASP   6          1HB       ASP   6   2.215  23.336  -6.243
   51   2HB   ASP   6          2HB       ASP   6   1.771  23.227  -7.961
   52    H    VAL   7           H        VAL   7   4.417  24.411  -5.551
   53    HA   VAL   7           HA       VAL   7   4.280  26.976  -6.753
   54    HB   VAL   7           HB       VAL   7   5.696  25.891  -4.293
   55   1HG1  VAL   7          2HG1      VAL   7   5.507  28.748  -5.323
   56   2HG1  VAL   7          3HG1      VAL   7   5.870  28.339  -3.632
   57   3HG1  VAL   7          1HG1      VAL   7   6.981  27.835  -4.924
   58   1HG2  VAL   7          2HG2      VAL   7   3.223  27.627  -4.714
   59   2HG2  VAL   7          3HG2      VAL   7   3.221  25.906  -4.272
   60   3HG2  VAL   7          1HG2      VAL   7   3.869  27.112  -3.139
   61    H    ALA   8           H        ALA   8   6.945  24.612  -6.449
   62    HA   ALA   8           HA       ALA   8   9.003  26.380  -7.366
   63   1HB   ALA   8          3HB       ALA   8   9.228  24.162  -6.094
   64   2HB   ALA   8          1HB       ALA   8   8.984  23.367  -7.667
   65   3HB   ALA   8          2HB       ALA   8  10.358  24.456  -7.422
   66    H    LYS   9           H        LYS   9   6.788  24.070  -9.019
   67    HA   LYS   9           HA       LYS   9   7.957  24.324 -11.633
   68   1HB   LYS   9          1HB       LYS   9   5.040  23.827 -10.849
   69   2HB   LYS   9          2HB       LYS   9   5.764  23.490 -12.434
   70   1HG   LYS   9          2HG       LYS   9   7.166  21.752 -11.522
   71   2HG   LYS   9          1HG       LYS   9   6.777  22.222  -9.855
   72   1HD   LYS   9          2HD       LYS   9   4.271  21.774 -10.655
   73   2HD   LYS   9          1HD       LYS   9   5.072  20.759 -11.873
   74   1HE   LYS   9          1HE       LYS   9   6.049  19.352 -10.218
   75   2HE   LYS   9          2HE       LYS   9   5.743  20.524  -8.920
   76   1HZ   LYS   9          3HZ       LYS   9   3.640  19.105 -10.396
   77   2HZ   LYS   9          1HZ       LYS   9   4.212  18.658  -8.918
   78   3HZ   LYS   9          2HZ       LYS   9   3.428  20.101  -9.093
   79    H    ARG  10           H        ARG  10   5.452  26.165  -9.845
   80    HA   ARG  10           HA       ARG  10   4.751  27.981 -11.922
   81   1HB   ARG  10          1HB       ARG  10   4.559  27.826  -8.953
   82   2HB   ARG  10          2HB       ARG  10   4.518  29.463  -9.635
   83   1HG   ARG  10          1HG       ARG  10   2.562  29.032 -10.876
   84   2HG   ARG  10          2HG       ARG  10   2.821  27.270 -10.852
   85   1HD   ARG  10          2HD       ARG  10   2.333  27.201  -8.450
   86   2HD   ARG  10          1HD       ARG  10   2.126  28.967  -8.416
   87    HE   ARG  10           HE       ARG  10   0.313  28.295 -10.295
   88   1HH1  ARG  10          2HH1      ARG  10   0.972  26.930  -7.087
   89   2HH1  ARG  10          1HH1      ARG  10  -0.646  26.314  -6.871
   90   1HH2  ARG  10          1HH2      ARG  10  -1.840  27.546  -9.963
   91   2HH2  ARG  10          2HH2      ARG  10  -2.263  26.711  -8.488
   92    H    ALA  11           H        ALA  11   7.299  28.019  -9.407
   93    HA   ALA  11           HA       ALA  11   8.469  30.515 -10.296
   94   1HB   ALA  11          3HB       ALA  11   8.671  29.635  -7.979
   95   2HB   ALA  11          1HB       ALA  11   9.639  28.276  -8.596
   96   3HB   ALA  11          2HB       ALA  11  10.259  29.936  -8.726
   97    H    ASN  12           H        ASN  12   8.170  27.798 -12.045
   98    HA   ASN  12           HA       ASN  12   9.118  27.130 -13.968
   99   1HB   ASN  12          1HB       ASN  12  11.458  28.986 -13.535
  100   2HB   ASN  12          2HB       ASN  12  10.823  28.326 -15.049
  101   1HD2  ASN  12          1HD2      ASN  12   9.351  31.794 -13.483
  102   2HD2  ASN  12          2HD2      ASN  12  10.549  30.824 -12.640
  103    H    VAL  13           H        VAL  13  10.541  25.644 -14.670
  104    HA   VAL  13           HA       VAL  13  12.024  23.934 -14.587
  105    HB   VAL  13           HB       VAL  13  13.519  25.659 -12.559
  106   1HG1  VAL  13          3HG1      VAL  13  14.391  23.360 -14.365
  107   2HG1  VAL  13          1HG1      VAL  13  15.488  24.370 -13.395
  108   3HG1  VAL  13          2HG1      VAL  13  14.298  23.323 -12.589
  109   1HG2  VAL  13          2HG2      VAL  13  13.644  25.501 -15.602
  110   2HG2  VAL  13          1HG2      VAL  13  13.136  26.903 -14.630
  111   3HG2  VAL  13          3HG2      VAL  13  14.828  26.355 -14.584
  112    H    SER  14           H        SER  14  12.576  24.798 -11.152
  113    HA   SER  14           HA       SER  14  10.724  22.925 -10.047
  114   1HB   SER  14          1HB       SER  14  12.322  21.340 -11.288
  115   2HB   SER  14          2HB       SER  14  13.587  21.876 -10.161
  116    HG   SER  14           HG       SER  14  12.431  19.966  -9.501
  117    H    THR  15           H        THR  15  12.239  22.032  -7.854
  118    HA   THR  15           HA       THR  15  12.147  24.261  -6.128
  119    HB   THR  15           HB       THR  15  13.462  22.695  -4.586
  120    HG1  THR  15           HG1      THR  15  14.557  21.540  -6.188
  121   1HG2  THR  15          1HG2      THR  15  10.985  22.758  -4.673
  122   2HG2  THR  15          3HG2      THR  15  11.002  21.596  -6.020
  123   3HG2  THR  15          2HG2      THR  15  11.577  21.100  -4.411
  124    H    THR  16           H        THR  16  14.671  23.268  -8.340
  125    HA   THR  16           HA       THR  16  16.982  24.193  -7.073
  126    HB   THR  16           HB       THR  16  16.362  24.632 -10.015
  127    HG1  THR  16           HG1      THR  16  16.994  22.413 -10.216
  128   1HG2  THR  16          1HG2      THR  16  18.857  23.789  -8.472
  129   2HG2  THR  16          2HG2      THR  16  18.750  23.978 -10.238
  130   3HG2  THR  16          3HG2      THR  16  18.558  25.393  -9.179
  131    H    THR  17           H        THR  17  14.635  26.053  -9.106
  132    HA   THR  17           HA       THR  17  15.988  28.544  -8.910
  133    HB   THR  17           HB       THR  17  13.002  28.037  -9.263
  134    HG1  THR  17           HG1      THR  17  15.076  28.160 -11.201
  135   1HG2  THR  17          2HG2      THR  17  14.878  30.294 -10.107
  136   2HG2  THR  17          3HG2      THR  17  13.189  30.130 -10.648
  137   3HG2  THR  17          1HG2      THR  17  13.550  30.398  -8.928
  138    H    VAL  18           H        VAL  18  13.369  27.074  -6.925
  139    HA   VAL  18           HA       VAL  18  12.921  29.326  -5.251
  140    HB   VAL  18           HB       VAL  18  12.599  26.339  -4.707
  141   1HG1  VAL  18          1HG1      VAL  18  11.528  28.805  -3.270
  142   2HG1  VAL  18          2HG1      VAL  18  10.905  27.158  -3.019
  143   3HG1  VAL  18          3HG1      VAL  18  12.589  27.543  -2.600
  144   1HG2  VAL  18          3HG2      VAL  18  10.673  28.480  -5.719
  145   2HG2  VAL  18          1HG2      VAL  18  11.306  27.103  -6.653
  146   3HG2  VAL  18          2HG2      VAL  18  10.211  26.819  -5.279
  147    H    SER  19           H        SER  19  15.199  26.562  -5.010
  148    HA   SER  19           HA       SER  19  16.194  27.140  -2.420
  149   1HB   SER  19          1HB       SER  19  17.585  25.829  -4.795
  150   2HB   SER  19          2HB       SER  19  18.101  25.724  -3.094
  151    HG   SER  19           HG       SER  19  15.645  24.811  -4.201
  152    H    HIS  20           H        HIS  20  17.177  28.300  -5.685
  153    HA   HIS  20           HA       HIS  20  19.541  29.637  -4.880
  154   1HB   HIS  20          1HB       HIS  20  17.554  30.231  -7.102
  155   2HB   HIS  20          2HB       HIS  20  19.117  31.045  -6.928
  156    HD1  HIS  20           HD1      HIS  20  19.103  29.742  -9.498
  157    HD2  HIS  20           HD2      HIS  20  19.846  27.498  -6.048
  158    HE1  HIS  20           HE1      HIS  20  20.303  27.613 -10.208
  159    H    VAL  21           H        VAL  21  16.120  30.693  -4.909
  160    HA   VAL  21           HA       VAL  21  16.711  33.420  -4.178
  161    HB   VAL  21           HB       VAL  21  14.188  31.715  -4.115
  162   1HG1  VAL  21          1HG1      VAL  21  14.584  34.658  -3.407
  163   2HG1  VAL  21          2HG1      VAL  21  13.004  33.931  -3.789
  164   3HG1  VAL  21          3HG1      VAL  21  13.912  33.380  -2.365
  165   1HG2  VAL  21          2HG2      VAL  21  15.192  34.000  -5.869
  166   2HG2  VAL  21          3HG2      VAL  21  15.025  32.292  -6.344
  167   3HG2  VAL  21          1HG2      VAL  21  13.580  33.266  -5.992
  168    H    ILE  22           H        ILE  22  15.462  30.592  -2.275
  169    HA   ILE  22           HA       ILE  22  15.357  32.018   0.191
  170    HB   ILE  22           HB       ILE  22  15.626  29.037  -0.388
  171   1HG1  ILE  22          1HG1      ILE  22  13.189  30.737   0.322
  172   2HG1  ILE  22          2HG1      ILE  22  13.601  30.225  -1.327
  173   1HG2  ILE  22          2HG2      ILE  22  16.320  29.598   1.932
  174   2HG2  ILE  22          1HG2      ILE  22  14.810  30.509   2.163
  175   3HG2  ILE  22          3HG2      ILE  22  14.764  28.746   1.926
  176   1HD1  ILE  22          3HD1      ILE  22  13.589  27.819  -0.439
  177   2HD1  ILE  22          1HD1      ILE  22  12.838  28.472   1.038
  178   3HD1  ILE  22          2HD1      ILE  22  12.008  28.631  -0.525
  179    H    ASN  23           H        ASN  23  17.845  29.752  -1.111
  180    HA   ASN  23           HA       ASN  23  19.601  30.068   1.136
  181   1HB   ASN  23          1HB       ASN  23  19.503  28.155  -0.556
  182   2HB   ASN  23          2HB       ASN  23  20.366  29.227  -1.679
  183   1HD2  ASN  23          1HD2      ASN  23  22.324  27.348   1.391
  184   2HD2  ASN  23          2HD2      ASN  23  20.606  27.162   1.121
  185    H    LYS  24           H        LYS  24  19.235  31.748  -1.990
  186    HA   LYS  24           HA       LYS  24  20.072  33.734  -2.748
  187   1HB   LYS  24          1HB       LYS  24  21.285  34.116   0.019
  188   2HB   LYS  24          2HB       LYS  24  21.071  35.357  -1.224
  189   1HG   LYS  24          2HG       LYS  24  18.662  35.176  -1.110
  190   2HG   LYS  24          1HG       LYS  24  18.757  33.769  -0.040
  191   1HD   LYS  24          1HD       LYS  24  19.720  36.586   0.632
  192   2HD   LYS  24          2HD       LYS  24  18.225  35.831   1.226
  193   1HE   LYS  24          2HE       LYS  24  21.100  35.159   1.920
  194   2HE   LYS  24          1HE       LYS  24  19.745  35.522   3.003
  195   1HZ   LYS  24          3HZ       LYS  24  18.761  33.402   2.126
  196   2HZ   LYS  24          1HZ       LYS  24  20.255  33.059   1.505
  197   3HZ   LYS  24          2HZ       LYS  24  20.061  33.257   3.132
  198    H    THR  25           H        THR  25  21.303  31.739  -3.776
  199    HA   THR  25           HA       THR  25  24.189  31.775  -3.184
  200    HB   THR  25           HB       THR  25  24.205  30.100  -5.119
  201    HG1  THR  25           HG1      THR  25  21.407  30.093  -4.721
  202   1HG2  THR  25          1HG2      THR  25  24.141  29.438  -2.719
  203   2HG2  THR  25          3HG2      THR  25  22.365  29.504  -2.765
  204   3HG2  THR  25          2HG2      THR  25  23.234  28.303  -3.746
  205    H    ARG  26           H        ARG  26  22.573  31.778  -6.378
  206    HA   ARG  26           HA       ARG  26  24.515  33.769  -7.335
  207   1HB   ARG  26          1HB       ARG  26  23.458  33.291  -9.542
  208   2HB   ARG  26          2HB       ARG  26  24.053  31.824  -8.738
  209   1HG   ARG  26          1HG       ARG  26  21.921  31.009  -8.318
  210   2HG   ARG  26          2HG       ARG  26  21.195  32.629  -8.232
  211   1HD   ARG  26          2HD       ARG  26  22.258  31.399 -10.804
  212   2HD   ARG  26          1HD       ARG  26  20.560  31.288 -10.288
  213    HE   ARG  26           HE       ARG  26  21.246  34.015 -10.180
  214   1HH1  ARG  26          2HH2      ARG  26  21.007  31.443 -12.608
  215   2HH1  ARG  26          1HH2      ARG  26  20.629  32.535 -13.919
  216   1HH2  ARG  26          2HH1      ARG  26  20.743  35.442 -11.896
  217   2HH2  ARG  26          1HH1      ARG  26  20.469  34.821 -13.513
  218    H    PHE  27           H        PHE  27  23.721  35.632  -8.662
  219    HA   PHE  27           HA       PHE  27  21.670  37.069  -7.164
  220   1HB   PHE  27          1HB       PHE  27  23.697  38.219  -7.872
  221   2HB   PHE  27          2HB       PHE  27  23.382  37.803  -9.566
  222    HD1  PHE  27           HD2      PHE  27  21.955  39.690  -6.652
  223    HD2  PHE  27           HD1      PHE  27  22.083  39.230 -10.935
  224    HE1  PHE  27           HE2      PHE  27  20.618  41.765  -6.916
  225    HE2  PHE  27           HE1      PHE  27  20.747  41.308 -11.195
  226    HZ   PHE  27           HZ       PHE  27  20.013  42.574  -9.185
  227    H    VAL  28           H        VAL  28  19.663  37.697  -7.883
  228    HA   VAL  28           HA       VAL  28  18.808  36.925 -10.613
  229    HB   VAL  28           HB       VAL  28  16.641  36.053  -9.567
  230   1HG1  VAL  28          1HG1      VAL  28  18.414  34.583 -10.551
  231   2HG1  VAL  28          3HG1      VAL  28  19.180  34.471  -8.948
  232   3HG1  VAL  28          2HG1      VAL  28  17.550  33.807  -9.204
  233   1HG2  VAL  28          3HG2      VAL  28  17.097  37.013  -7.281
  234   2HG2  VAL  28          2HG2      VAL  28  16.717  35.277  -7.256
  235   3HG2  VAL  28          1HG2      VAL  28  18.401  35.821  -7.079
  236    H    ALA  29           H        ALA  29  16.823  38.052 -11.246
  237    HA   ALA  29           HA       ALA  29  16.819  40.779 -10.286
  238   1HB   ALA  29          3HB       ALA  29  16.399  40.179 -12.650
  239   2HB   ALA  29          2HB       ALA  29  14.928  39.299 -12.167
  240   3HB   ALA  29          1HB       ALA  29  15.019  41.064 -11.957
  241    H    GLU  30           H        GLU  30  14.862  41.892  -9.491
  242    HA   GLU  30           HA       GLU  30  13.765  40.663  -7.193
  243   1HB   GLU  30          1HB       GLU  30  12.744  43.018  -8.839
  244   2HB   GLU  30          2HB       GLU  30  12.209  42.609  -7.193
  245   1HG   GLU  30          1HG       GLU  30  15.048  43.348  -8.034
  246   2HG   GLU  30          2HG       GLU  30  13.924  44.365  -7.112
  247    H    GLU  31           H        GLU  31  12.817  40.539 -10.564
  248    HA   GLU  31           HA       GLU  31  10.100  39.846 -10.336
  249   1HB   GLU  31          1HB       GLU  31  11.133  40.320 -12.478
  250   2HB   GLU  31          2HB       GLU  31  12.281  38.979 -12.291
  251   1HG   GLU  31          1HG       GLU  31   9.288  38.471 -12.252
  252   2HG   GLU  31          2HG       GLU  31  10.150  38.646 -13.791
  253    H    THR  32           H        THR  32  13.019  37.703 -10.377
  254    HA   THR  32           HA       THR  32  11.555  35.293 -10.026
  255    HB   THR  32           HB       THR  32  14.410  35.777  -9.121
  256    HG1  THR  32           HG1      THR  32  13.255  35.893 -11.672
  257   1HG2  THR  32          3HG2      THR  32  13.419  33.531  -8.757
  258   2HG2  THR  32          1HG2      THR  32  12.990  33.443 -10.481
  259   3HG2  THR  32          2HG2      THR  32  14.699  33.477  -9.990
  260    H    ARG  33           H        ARG  33  13.299  37.399  -7.661
  261    HA   ARG  33           HA       ARG  33  12.831  35.797  -5.383
  262   1HB   ARG  33          1HB       ARG  33  13.032  38.838  -5.556
  263   2HB   ARG  33          2HB       ARG  33  13.283  37.845  -4.102
  264   1HG   ARG  33          2HG       ARG  33  15.033  36.595  -5.708
  265   2HG   ARG  33          1HG       ARG  33  15.038  38.172  -6.528
  266   1HD   ARG  33          2HD       ARG  33  15.523  37.735  -3.550
  267   2HD   ARG  33          1HD       ARG  33  16.798  37.989  -4.762
  268    HE   ARG  33           HE       ARG  33  15.244  40.193  -5.150
  269   1HH1  ARG  33          1HH1      ARG  33  16.852  38.741  -2.346
  270   2HH1  ARG  33          2HH1      ARG  33  16.832  40.210  -1.401
  271   1HH2  ARG  33          2HH2      ARG  33  15.151  42.118  -3.864
  272   2HH2  ARG  33          1HH2      ARG  33  15.903  42.142  -2.281
  273    H    ASN  34           H        ASN  34  10.963  38.628  -6.598
  274    HA   ASN  34           HA       ASN  34   8.930  38.573  -4.653
  275   1HB   ASN  34          2HB       ASN  34   9.413  40.422  -6.260
  276   2HB   ASN  34          1HB       ASN  34   8.755  39.425  -7.574
  277   1HD2  ASN  34          1HD2      ASN  34   5.875  41.460  -6.799
  278   2HD2  ASN  34          2HD2      ASN  34   7.365  41.465  -7.720
  279    H    ALA  35           H        ALA  35   9.043  37.021  -7.921
  280    HA   ALA  35           HA       ALA  35   6.455  35.921  -7.895
  281   1HB   ALA  35          1HB       ALA  35   9.025  34.835  -9.122
  282   2HB   ALA  35          2HB       ALA  35   7.380  34.299  -9.540
  283   3HB   ALA  35          3HB       ALA  35   7.884  35.970  -9.883
  284    H    VAL  36           H        VAL  36   9.549  34.501  -6.682
  285    HA   VAL  36           HA       VAL  36   8.411  32.002  -5.918
  286    HB   VAL  36           HB       VAL  36  10.903  33.532  -5.098
  287   1HG1  VAL  36          2HG1      VAL  36   9.921  30.801  -4.164
  288   2HG1  VAL  36          1HG1      VAL  36  11.617  31.323  -4.057
  289   3HG1  VAL  36          3HG1      VAL  36  10.364  32.197  -3.150
  290   1HG2  VAL  36          2HG2      VAL  36  10.735  32.557  -7.395
  291   2HG2  VAL  36          3HG2      VAL  36  11.994  31.765  -6.421
  292   3HG2  VAL  36          1HG2      VAL  36  10.429  30.964  -6.672
  293    H    TRP  37           H        TRP  37   9.248  34.888  -3.874
  294    HA   TRP  37           HA       TRP  37   8.205  33.835  -1.473
  295   1HB   TRP  37          2HB       TRP  37   8.398  36.706  -2.437
  296   2HB   TRP  37          1HB       TRP  37   8.059  36.227  -0.769
  297    HD1  TRP  37           HD1      TRP  37  10.740  37.601  -2.484
  298    HE1  TRP  37           HE1      TRP  37  13.071  36.926  -1.624
  299    HE3  TRP  37           HE3      TRP  37   9.436  33.450   0.230
  300    HZ2  TRP  37           HZ2      TRP  37  14.202  34.872   0.006
  301    HZ3  TRP  37           HZ3      TRP  37  11.182  32.165   1.422
  302    HH2  TRP  37           HH2      TRP  37  13.559  32.869   1.314
  303    H    ALA  38           H        ALA  38   6.592  35.652  -4.099
  304    HA   ALA  38           HA       ALA  38   4.107  36.014  -2.745
  305   1HB   ALA  38          2HB       ALA  38   4.742  35.805  -5.718
  306   2HB   ALA  38          1HB       ALA  38   3.219  36.414  -5.029
  307   3HB   ALA  38          3HB       ALA  38   4.740  37.295  -4.744
  308    H    ALA  39           H        ALA  39   5.243  33.494  -5.071
  309    HA   ALA  39           HA       ALA  39   2.774  32.024  -4.952
  310   1HB   ALA  39          2HB       ALA  39   4.364  31.953  -6.857
  311   2HB   ALA  39          3HB       ALA  39   5.558  31.139  -5.818
  312   3HB   ALA  39          1HB       ALA  39   4.022  30.329  -6.215
  313    H    ILE  40           H        ILE  40   5.006  32.478  -2.500
  314    HA   ILE  40           HA       ILE  40   4.704  29.703  -1.460
  315    HB   ILE  40           HB       ILE  40   6.626  31.979  -0.928
  316   1HG1  ILE  40          2HG1      ILE  40   7.039  28.978  -1.291
  317   2HG1  ILE  40          1HG1      ILE  40   7.043  30.140  -2.633
  318   1HG2  ILE  40          1HG2      ILE  40   6.041  29.613   0.908
  319   2HG2  ILE  40          2HG2      ILE  40   7.473  30.656   1.039
  320   3HG2  ILE  40          3HG2      ILE  40   5.858  31.335   1.310
  321   1HD1  ILE  40          1HD1      ILE  40   8.858  31.414  -1.338
  322   2HD1  ILE  40          2HD1      ILE  40   8.983  29.976  -0.301
  323   3HD1  ILE  40          3HD1      ILE  40   9.335  29.851  -2.037
  324    H    LYS  41           H        LYS  41   4.207  33.182  -0.572
  325    HA   LYS  41           HA       LYS  41   2.779  32.300   1.856
  326   1HB   LYS  41          2HB       LYS  41   4.536  34.242   1.637
  327   2HB   LYS  41          1HB       LYS  41   3.159  35.170   1.002
  328   1HG   LYS  41          1HG       LYS  41   2.053  33.941   3.238
  329   2HG   LYS  41          2HG       LYS  41   3.722  34.225   3.768
  330   1HD   LYS  41          2HD       LYS  41   3.183  36.377   4.182
  331   2HD   LYS  41          1HD       LYS  41   2.894  36.621   2.448
  332   1HE   LYS  41          2HE       LYS  41   0.833  35.555   4.438
  333   2HE   LYS  41          1HE       LYS  41   0.919  37.234   3.863
  334   1HZ   LYS  41          1HZ       LYS  41   0.606  36.383   1.624
  335   2HZ   LYS  41          2HZ       LYS  41   0.416  34.851   2.213
  336   3HZ   LYS  41          3HZ       LYS  41  -0.670  36.029   2.609
  337    H    GLU  42           H        GLU  42   2.063  33.728  -1.349
  338    HA   GLU  42           HA       GLU  42  -0.651  34.461  -0.473
  339   1HB   GLU  42          2HB       GLU  42   0.533  34.519  -3.275
  340   2HB   GLU  42          1HB       GLU  42  -0.922  35.358  -2.699
  341   1HG   GLU  42          1HG       GLU  42   1.962  35.892  -1.867
  342   2HG   GLU  42          2HG       GLU  42   0.889  36.969  -2.780
  343    H    LEU  43           H        LEU  43   0.994  31.856  -2.203
  344    HA   LEU  43           HA       LEU  43  -1.415  30.736  -3.327
  345   1HB   LEU  43          2HB       LEU  43   1.282  30.443  -3.763
  346   2HB   LEU  43          1HB       LEU  43   0.926  28.959  -2.863
  347    HG   LEU  43           HG       LEU  43   0.689  28.487  -5.223
  348   1HD1  LEU  43          1HD1      LEU  43  -1.056  27.555  -3.645
  349   2HD1  LEU  43          3HD1      LEU  43  -2.138  28.871  -4.160
  350   3HD1  LEU  43          2HD1      LEU  43  -1.576  27.671  -5.340
  351   1HD2  LEU  43          1HD2      LEU  43   0.361  30.905  -5.896
  352   2HD2  LEU  43          2HD2      LEU  43  -0.701  29.753  -6.737
  353   3HD2  LEU  43          3HD2      LEU  43  -1.345  30.749  -5.415
  354    H    HIS  44           H        HIS  44   0.296  30.449  -0.239
  355    HA   HIS  44           HA       HIS  44  -0.207  29.300   1.690
  356   1HB   HIS  44          2HB       HIS  44  -2.934  28.863   0.503
  357   2HB   HIS  44          1HB       HIS  44  -2.508  28.917   2.214
  358    HD1  HIS  44           HD1      HIS  44  -4.280  30.905  -0.080
  359    HD2  HIS  44           HD2      HIS  44  -1.186  31.760   2.601
  360    HE1  HIS  44           HE1      HIS  44  -4.324  33.408   0.376
  361    H    TYR  45           H        TYR  45   1.216  27.832   0.155
  362    HA   TYR  45           HA       TYR  45   0.043  25.393  -0.820
  363   1HB   TYR  45          2HB       TYR  45   2.201  24.812  -1.466
  364   2HB   TYR  45          1HB       TYR  45   2.239  26.580  -1.510
  365    HD1  TYR  45           HD1      TYR  45   3.318  27.836   0.443
  366    HD2  TYR  45           HD2      TYR  45   3.673  23.577  -0.064
  367    HE1  TYR  45           HE1      TYR  45   5.274  27.808   1.973
  368    HE2  TYR  45           HE2      TYR  45   5.634  23.551   1.446
  369    HH   TYR  45           HH       TYR  45   7.056  24.802   2.734
  370    H    SER  46           H        SER  46  -0.224  26.209   2.193
  371    HA   SER  46           HA       SER  46  -0.303  25.170   4.225
  372   1HB   SER  46          1HB       SER  46  -1.739  23.632   2.918
  373   2HB   SER  46          2HB       SER  46  -0.313  22.654   2.503
  374    HG   SER  46           HG       SER  46  -0.013  22.262   4.714
  375    HA   PRO  47           HA       PRO  47   4.317  24.436   4.006
  376   1HB   PRO  47          1HB       PRO  47   4.511  26.158   6.343
  377   2HB   PRO  47          2HB       PRO  47   5.191  26.414   4.713
  378   1HG   PRO  47          1HG       PRO  47   2.933  27.746   5.918
  379   2HG   PRO  47          2HG       PRO  47   3.585  27.968   4.271
  380   1HD   PRO  47          2HD       PRO  47   1.139  26.637   5.069
  381   2HD   PRO  47          1HD       PRO  47   1.779  26.880   3.417
  382    H    SER  48           H        SER  48   5.049  22.645   5.040
  383    HA   SER  48           HA       SER  48   3.503  21.530   7.245
  384   1HB   SER  48          2HB       SER  48   6.089  20.551   5.962
  385   2HB   SER  48          1HB       SER  48   4.958  19.602   6.957
  386    HG   SER  48           HG       SER  48   3.353  20.136   5.318
  387    H    ALA  49           H        ALA  49   4.347  23.875   8.258
  388    HA   ALA  49           HA       ALA  49   6.938  23.790   9.511
  389   1HB   ALA  49          3HB       ALA  49   4.414  25.354  10.206
  390   2HB   ALA  49          2HB       ALA  49   6.046  25.685  10.838
  391   3HB   ALA  49          1HB       ALA  49   5.706  25.888   9.103
  392    H    VAL  50           H        VAL  50   3.598  23.001  10.574
  393    HA   VAL  50           HA       VAL  50   4.369  22.234  13.242
  394    HB   VAL  50           HB       VAL  50   1.900  21.516  11.593
  395   1HG1  VAL  50          1HG1      VAL  50   2.480  21.441  14.590
  396   2HG1  VAL  50          2HG1      VAL  50   0.863  21.249  13.872
  397   3HG1  VAL  50          3HG1      VAL  50   2.130  20.052  13.535
  398   1HG2  VAL  50          2HG2      VAL  50   2.484  23.817  13.514
  399   2HG2  VAL  50          1HG2      VAL  50   2.159  23.947  11.769
  400   3HG2  VAL  50          3HG2      VAL  50   0.871  23.420  12.874
  401    H    ALA  51           H        ALA  51   4.199  20.616  10.097
  402    HA   ALA  51           HA       ALA  51   4.753  18.512   9.402
  403   1HB   ALA  51          1HB       ALA  51   6.933  19.233  10.392
  404   2HB   ALA  51          2HB       ALA  51   6.458  18.466  11.926
  405   3HB   ALA  51          3HB       ALA  51   6.682  17.472  10.469
  406    H    ARG  52           H        ARG  52   2.298  18.526  10.490
  407    HA   ARG  52           HA       ARG  52   2.090  15.828  11.579
  408   1HB   ARG  52          1HB       ARG  52   2.437  17.587  13.524
  409   2HB   ARG  52          2HB       ARG  52   0.748  18.018  13.188
  410   1HG   ARG  52          1HG       ARG  52   0.486  16.341  14.802
  411   2HG   ARG  52          2HG       ARG  52   0.374  15.388  13.305
  412   1HD   ARG  52          1HD       ARG  52   2.848  14.926  13.485
  413   2HD   ARG  52          2HD       ARG  52   2.849  15.776  15.042
  414    HE   ARG  52           HE       ARG  52   1.876  13.933  16.049
  415   1HH1  ARG  52          2HH1      ARG  52   1.590  13.658  12.525
  416   2HH1  ARG  52          1HH1      ARG  52   0.996  12.016  12.566
  417   1HH2  ARG  52          2HH2      ARG  52   1.087  11.768  16.091
  418   2HH2  ARG  52          1HH2      ARG  52   0.705  10.940  14.599
  419    H    SER  53           H        SER  53  -0.738  16.869  12.533
  420    HA   SER  53           HA       SER  53  -2.006  17.632  10.023
  421   1HB   SER  53          1HB       SER  53  -3.431  15.571   9.953
  422   2HB   SER  53          2HB       SER  53  -1.718  15.240   9.609
  423    HG   SER  53           HG       SER  53  -2.790  15.054  12.225
  424    H    LEU  54           H        LEU  54  -3.733  18.873  10.532
  425    HA   LEU  54           HA       LEU  54  -4.420  19.419  13.234
  426   1HB   LEU  54          2HB       LEU  54  -4.686  20.937  11.230
  427   2HB   LEU  54          1HB       LEU  54  -6.086  19.960  10.740
  428    HG   LEU  54           HG       LEU  54  -6.131  20.841  13.584
  429   1HD1  LEU  54          2HD1      LEU  54  -6.371  22.856  11.305
  430   2HD1  LEU  54          1HD1      LEU  54  -6.801  23.164  13.006
  431   3HD1  LEU  54          3HD1      LEU  54  -5.109  22.839  12.562
  432   1HD2  LEU  54          2HD2      LEU  54  -8.112  21.036  11.268
  433   2HD2  LEU  54          3HD2      LEU  54  -8.033  19.716  12.456
  434   3HD2  LEU  54          1HD2      LEU  54  -8.481  21.353  12.980
  435    H    LYS  55           H        LYS  55  -5.941  17.353  10.724
  436    HA   LYS  55           HA       LYS  55  -7.576  15.763  10.825
  437   1HB   LYS  55          2HB       LYS  55  -6.458  15.548  13.649
  438   2HB   LYS  55          1HB       LYS  55  -7.670  14.428  12.997
  439   1HG   LYS  55          1HG       LYS  55  -5.129  14.971  11.446
  440   2HG   LYS  55          2HG       LYS  55  -5.108  13.826  12.805
  441   1HD   LYS  55          2HD       LYS  55  -7.229  13.606  10.646
  442   2HD   LYS  55          1HD       LYS  55  -5.607  12.925  10.389
  443   1HE   LYS  55          1HE       LYS  55  -5.820  11.550  12.407
  444   2HE   LYS  55          2HE       LYS  55  -7.390  12.287  12.783
  445   1HZ   LYS  55          2HZ       LYS  55  -8.239  11.367  10.751
  446   2HZ   LYS  55          3HZ       LYS  55  -6.782  10.677  10.404
  447   3HZ   LYS  55          1HZ       LYS  55  -7.641  10.175  11.720
  448    H    VAL  56           H        VAL  56  -9.063  17.643  10.524
  449    HA   VAL  56           HA       VAL  56 -10.542  18.624  12.808
  450    HB   VAL  56           HB       VAL  56 -10.186  19.875  10.650
  451   1HG1  VAL  56          3HG1      VAL  56 -10.563  17.892   9.142
  452   2HG1  VAL  56          1HG1      VAL  56 -12.292  17.957   9.555
  453   3HG1  VAL  56          2HG1      VAL  56 -11.531  19.314   8.697
  454   1HG2  VAL  56          1HG2      VAL  56 -12.010  20.444  12.264
  455   2HG2  VAL  56          2HG2      VAL  56 -12.444  20.820  10.579
  456   3HG2  VAL  56          3HG2      VAL  56 -13.109  19.369  11.365
   
  No H/Q in entry =         456
  Start of MODEL           6
 Raw file had  466 H/Q atoms
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -1.021  19.844  -6.832
    2   2H    MET   1          2H        MET   1   0.551  19.475  -7.172
    3   3H    MET   1          3H        MET   1  -0.573  18.273  -7.037
    4    HA   MET   1           HA       MET   1  -0.870  18.639  -4.743
    5   1HB   MET   1          2HB       MET   1   2.089  18.560  -5.490
    6   2HB   MET   1          1HB       MET   1   1.403  18.107  -3.912
    7   1HG   MET   1          1HG       MET   1   1.521  16.032  -4.917
    8   2HG   MET   1          2HG       MET   1  -0.122  16.512  -5.363
    9   1HE   MET   1          3HE       MET   1   1.435  14.153  -6.742
   10   2HE   MET   1          2HE       MET   1  -0.205  14.666  -7.212
   11   3HE   MET   1          1HE       MET   1   1.049  14.441  -8.457
   12    H    ALA   2           H        ALA   2  -0.673  19.952  -2.924
   13    HA   ALA   2           HA       ALA   2  -0.031  22.761  -3.485
   14   1HB   ALA   2          1HB       ALA   2  -1.072  21.353  -0.987
   15   2HB   ALA   2          3HB       ALA   2  -0.953  23.116  -1.213
   16   3HB   ALA   2          2HB       ALA   2  -2.065  22.161  -2.226
   17    H    THR   3           H        THR   3   2.315  22.039  -3.903
   18    HA   THR   3           HA       THR   3   3.822  22.311  -1.350
   19    HB   THR   3           HB       THR   3   5.512  20.682  -2.326
   20    HG1  THR   3           HG1      THR   3   4.489  19.201  -3.852
   21   1HG2  THR   3          2HG2      THR   3   3.884  20.085  -0.505
   22   2HG2  THR   3          1HG2      THR   3   2.731  19.542  -1.745
   23   3HG2  THR   3          3HG2      THR   3   4.285  18.700  -1.547
   24    H    ILE   4           H        ILE   4   6.048  22.976  -1.695
   25    HA   ILE   4           HA       ILE   4   6.337  25.189  -3.425
   26    HB   ILE   4           HB       ILE   4   8.920  24.403  -2.982
   27   1HG1  ILE   4          2HG1      ILE   4   7.435  23.375  -0.540
   28   2HG1  ILE   4          1HG1      ILE   4   7.999  22.300  -1.839
   29   1HG2  ILE   4          1HG2      ILE   4   7.020  25.787  -1.051
   30   2HG2  ILE   4          3HG2      ILE   4   8.793  25.861  -0.949
   31   3HG2  ILE   4          2HG2      ILE   4   7.952  26.555  -2.353
   32   1HD1  ILE   4          2HD1      ILE   4  10.319  23.262  -1.520
   33   2HD1  ILE   4          1HD1      ILE   4   9.702  24.117  -0.085
   34   3HD1  ILE   4          3HD1      ILE   4   9.706  22.341  -0.129
   35    H    LYS   5           H        LYS   5   6.894  21.739  -3.892
   36    HA   LYS   5           HA       LYS   5   8.650  21.813  -6.091
   37   1HB   LYS   5          1HB       LYS   5   6.454  19.856  -5.313
   38   2HB   LYS   5          2HB       LYS   5   7.664  19.552  -6.576
   39   1HG   LYS   5          1HG       LYS   5   9.467  19.958  -4.844
   40   2HG   LYS   5          2HG       LYS   5   8.193  20.088  -3.613
   41   1HD   LYS   5          2HD       LYS   5   8.849  17.826  -3.455
   42   2HD   LYS   5          1HD       LYS   5   7.407  17.755  -4.493
   43   1HE   LYS   5          1HE       LYS   5   9.102  16.365  -5.512
   44   2HE   LYS   5          2HE       LYS   5   8.954  17.828  -6.505
   45   1HZ   LYS   5          3HZ       LYS   5  11.003  17.396  -4.444
   46   2HZ   LYS   5          2HZ       LYS   5  11.235  17.200  -6.064
   47   3HZ   LYS   5          1HZ       LYS   5  10.893  18.693  -5.455
   48    H    ASP   6           H        ASP   6   5.091  21.249  -6.226
   49    HA   ASP   6           HA       ASP   6   4.879  21.596  -9.025
   50   1HB   ASP   6          1HB       ASP   6   2.959  21.723  -6.704
   51   2HB   ASP   6          2HB       ASP   6   2.410  22.157  -8.337
   52    H    VAL   7           H        VAL   7   4.442  23.971  -6.341
   53    HA   VAL   7           HA       VAL   7   3.601  26.147  -7.935
   54    HB   VAL   7           HB       VAL   7   5.210  26.011  -5.351
   55   1HG1  VAL   7          3HG1      VAL   7   4.004  28.411  -6.798
   56   2HG1  VAL   7          1HG1      VAL   7   4.503  28.428  -5.088
   57   3HG1  VAL   7          2HG1      VAL   7   5.713  28.166  -6.364
   58   1HG2  VAL   7          2HG2      VAL   7   2.850  25.145  -5.352
   59   2HG2  VAL   7          1HG2      VAL   7   3.061  26.581  -4.325
   60   3HG2  VAL   7          3HG2      VAL   7   2.303  26.735  -5.928
   61    H    ALA   8           H        ALA   8   6.913  25.029  -7.071
   62    HA   ALA   8           HA       ALA   8   8.295  27.149  -8.377
   63   1HB   ALA   8          3HB       ALA   8   9.305  25.647  -6.693
   64   2HB   ALA   8          1HB       ALA   8   9.198  24.293  -7.842
   65   3HB   ALA   8          2HB       ALA   8  10.243  25.687  -8.197
   66    H    LYS   9           H        LYS   9   7.308  23.852  -9.516
   67    HA   LYS   9           HA       LYS   9   8.504  24.038 -12.092
   68   1HB   LYS   9          1HB       LYS   9   6.013  22.588 -11.089
   69   2HB   LYS   9          2HB       LYS   9   6.649  22.400 -12.737
   70   1HG   LYS   9          2HG       LYS   9   8.914  21.844 -11.578
   71   2HG   LYS   9          1HG       LYS   9   7.947  21.598 -10.115
   72   1HD   LYS   9          2HD       LYS   9   7.450  20.211 -12.791
   73   2HD   LYS   9          1HD       LYS   9   8.319  19.480 -11.427
   74   1HE   LYS   9          2HE       LYS   9   5.441  20.487 -11.291
   75   2HE   LYS   9          1HE       LYS   9   5.897  18.797 -11.571
   76   1HZ   LYS   9          2HZ       LYS   9   6.616  20.366  -9.195
   77   2HZ   LYS   9          1HZ       LYS   9   5.402  19.245  -9.269
   78   3HZ   LYS   9          3HZ       LYS   9   6.977  18.778  -9.460
   79    H    ARG  10           H        ARG  10   5.314  25.122 -10.854
   80    HA   ARG  10           HA       ARG  10   4.283  26.026 -13.343
   81   1HB   ARG  10          1HB       ARG  10   3.293  25.787 -10.825
   82   2HB   ARG  10          2HB       ARG  10   3.633  27.529 -10.822
   83   1HG   ARG  10          2HG       ARG  10   2.297  26.624 -13.306
   84   2HG   ARG  10          1HG       ARG  10   1.342  26.294 -11.845
   85   1HD   ARG  10          1HD       ARG  10   0.736  28.494 -12.613
   86   2HD   ARG  10          2HD       ARG  10   1.720  28.696 -11.146
   87    HE   ARG  10           HE       ARG  10   3.420  28.758 -13.442
   88   1HH1  ARG  10          1HH2      ARG  10   0.880  30.661 -11.866
   89   2HH1  ARG  10          2HH2      ARG  10   1.514  32.199 -12.405
   90   1HH2  ARG  10          2HH1      ARG  10   4.275  30.779 -14.110
   91   2HH2  ARG  10          1HH1      ARG  10   3.445  32.265 -13.705
   92    H    ALA  11           H        ALA  11   6.483  27.452 -10.932
   93    HA   ALA  11           HA       ALA  11   6.620  30.011 -12.386
   94   1HB   ALA  11          2HB       ALA  11   6.624  29.909  -9.892
   95   2HB   ALA  11          1HB       ALA  11   8.158  29.009  -9.955
   96   3HB   ALA  11          3HB       ALA  11   8.087  30.684 -10.549
   97    H    ASN  12           H        ASN  12   7.652  27.159 -13.343
   98    HA   ASN  12           HA       ASN  12   9.149  26.646 -14.986
   99   1HB   ASN  12          1HB       ASN  12   9.394  29.169 -15.343
  100   2HB   ASN  12          2HB       ASN  12  10.821  29.069 -14.290
  101   1HD2  ASN  12          1HD2      ASN  12  12.704  28.510 -17.218
  102   2HD2  ASN  12          2HD2      ASN  12  12.331  29.591 -15.894
  103    H    VAL  13           H        VAL  13  10.940  25.394 -15.054
  104    HA   VAL  13           HA       VAL  13  12.634  24.077 -14.315
  105    HB   VAL  13           HB       VAL  13  13.264  26.204 -12.232
  106   1HG1  VAL  13          2HG1      VAL  13  14.514  24.019 -12.149
  107   2HG1  VAL  13          1HG1      VAL  13  15.020  24.288 -13.831
  108   3HG1  VAL  13          3HG1      VAL  13  15.559  25.398 -12.551
  109   1HG2  VAL  13          2HG2      VAL  13  13.825  26.130 -15.218
  110   2HG2  VAL  13          1HG2      VAL  13  13.057  27.431 -14.278
  111   3HG2  VAL  13          3HG2      VAL  13  14.790  27.101 -14.081
  112    H    SER  14           H        SER  14  12.949  24.862 -11.001
  113    HA   SER  14           HA       SER  14  10.709  23.350  -9.989
  114   1HB   SER  14          2HB       SER  14  12.217  21.577 -11.093
  115   2HB   SER  14          1HB       SER  14  13.409  21.952  -9.829
  116    HG   SER  14           HG       SER  14  10.741  21.030  -9.490
  117    H    THR  15           H        THR  15  11.987  22.330  -7.664
  118    HA   THR  15           HA       THR  15  11.901  24.553  -5.966
  119    HB   THR  15           HB       THR  15  12.996  23.002  -4.301
  120    HG1  THR  15           HG1      THR  15  14.325  21.866  -5.722
  121   1HG2  THR  15          1HG2      THR  15  10.526  23.005  -4.841
  122   2HG2  THR  15          2HG2      THR  15  10.835  21.683  -5.992
  123   3HG2  THR  15          3HG2      THR  15  11.143  21.443  -4.258
  124    H    THR  16           H        THR  16  14.605  23.416  -7.927
  125    HA   THR  16           HA       THR  16  16.752  24.447  -6.430
  126    HB   THR  16           HB       THR  16  16.894  23.017  -8.498
  127    HG1  THR  16           HG1      THR  16  18.363  25.413  -8.210
  128   1HG2  THR  16          1HG2      THR  16  15.262  24.436  -9.840
  129   2HG2  THR  16          2HG2      THR  16  16.556  25.648  -9.999
  130   3HG2  THR  16          3HG2      THR  16  16.770  24.023 -10.686
  131    H    THR  17           H        THR  17  14.437  26.085  -8.631
  132    HA   THR  17           HA       THR  17  15.795  28.603  -8.671
  133    HB   THR  17           HB       THR  17  12.830  27.964  -9.001
  134    HG1  THR  17           HG1      THR  17  14.950  28.123 -10.884
  135   1HG2  THR  17          2HG2      THR  17  14.564  30.310  -9.902
  136   2HG2  THR  17          1HG2      THR  17  12.890  30.024 -10.438
  137   3HG2  THR  17          3HG2      THR  17  13.230  30.365  -8.726
  138    H    VAL  18           H        VAL  18  13.440  27.101  -6.446
  139    HA   VAL  18           HA       VAL  18  12.902  29.511  -4.967
  140    HB   VAL  18           HB       VAL  18  12.613  26.574  -4.184
  141   1HG1  VAL  18          2HG1      VAL  18  11.468  29.135  -2.988
  142   2HG1  VAL  18          3HG1      VAL  18  10.941  27.493  -2.554
  143   3HG1  VAL  18          1HG1      VAL  18  12.604  28.013  -2.205
  144   1HG2  VAL  18          2HG2      VAL  18  10.654  28.586  -5.380
  145   2HG2  VAL  18          1HG2      VAL  18  11.306  27.140  -6.190
  146   3HG2  VAL  18          3HG2      VAL  18  10.219  26.963  -4.792
  147    H    SER  19           H        SER  19  15.025  26.635  -4.337
  148    HA   SER  19           HA       SER  19  16.085  27.493  -1.893
  149   1HB   SER  19          2HB       SER  19  17.977  25.994  -2.397
  150   2HB   SER  19          1HB       SER  19  16.422  25.244  -2.829
  151    HG   SER  19           HG       SER  19  18.019  25.030  -4.472
  152    H    HIS  20           H        HIS  20  17.118  28.331  -5.238
  153    HA   HIS  20           HA       HIS  20  19.498  29.699  -4.651
  154   1HB   HIS  20          2HB       HIS  20  17.364  30.297  -6.732
  155   2HB   HIS  20          1HB       HIS  20  18.983  31.013  -6.722
  156    HD1  HIS  20           HD1      HIS  20  18.467  29.529  -9.221
  157    HD2  HIS  20           HD2      HIS  20  19.737  27.545  -5.765
  158    HE1  HIS  20           HE1      HIS  20  19.504  27.318  -9.940
  159    H    VAL  21           H        VAL  21  16.114  30.752  -4.340
  160    HA   VAL  21           HA       VAL  21  16.835  33.515  -3.751
  161    HB   VAL  21           HB       VAL  21  14.238  31.933  -3.600
  162   1HG1  VAL  21          3HG1      VAL  21  14.825  34.849  -2.962
  163   2HG1  VAL  21          1HG1      VAL  21  13.198  34.248  -3.360
  164   3HG1  VAL  21          2HG1      VAL  21  14.041  33.637  -1.921
  165   1HG2  VAL  21          2HG2      VAL  21  15.237  34.144  -5.441
  166   2HG2  VAL  21          3HG2      VAL  21  15.118  32.421  -5.862
  167   3HG2  VAL  21          1HG2      VAL  21  13.645  33.358  -5.530
  168    H    ILE  22           H        ILE  22  16.082  30.552  -1.872
  169    HA   ILE  22           HA       ILE  22  15.764  31.910   0.641
  170    HB   ILE  22           HB       ILE  22  16.694  29.046   0.157
  171   1HG1  ILE  22          1HG1      ILE  22  14.620  29.281  -1.040
  172   2HG1  ILE  22          2HG1      ILE  22  14.237  28.493   0.495
  173   1HG2  ILE  22          3HG2      ILE  22  15.470  30.523   2.519
  174   2HG2  ILE  22          1HG2      ILE  22  15.501  28.747   2.403
  175   3HG2  ILE  22          2HG2      ILE  22  17.025  29.663   2.447
  176   1HD1  ILE  22          1HD1      ILE  22  13.605  30.765   1.413
  177   2HD1  ILE  22          3HD1      ILE  22  13.810  31.421  -0.230
  178   3HD1  ILE  22          2HD1      ILE  22  12.567  30.194   0.090
  179    H    ASN  23           H        ASN  23  18.578  30.192  -0.853
  180    HA   ASN  23           HA       ASN  23  20.298  31.086   1.364
  181   1HB   ASN  23          2HB       ASN  23  22.030  29.740   0.186
  182   2HB   ASN  23          1HB       ASN  23  20.562  28.820   0.567
  183   1HD2  ASN  23          1HD2      ASN  23  20.816  27.634  -2.770
  184   2HD2  ASN  23          2HD2      ASN  23  21.076  27.269  -1.078
  185    H    LYS  24           H        LYS  24  19.256  32.436  -1.594
  186    HA   LYS  24           HA       LYS  24  20.003  34.171  -2.894
  187   1HB   LYS  24          1HB       LYS  24  21.568  34.901  -0.377
  188   2HB   LYS  24          2HB       LYS  24  21.197  35.985  -1.732
  189   1HG   LYS  24          2HG       LYS  24  19.296  36.535  -0.652
  190   2HG   LYS  24          1HG       LYS  24  18.704  34.900  -1.016
  191   1HD   LYS  24          2HD       LYS  24  19.835  34.099   1.102
  192   2HD   LYS  24          1HD       LYS  24  20.217  35.793   1.481
  193   1HE   LYS  24          2HE       LYS  24  17.405  34.704   1.007
  194   2HE   LYS  24          1HE       LYS  24  18.131  34.956   2.607
  195   1HZ   LYS  24          1HZ       LYS  24  18.363  37.281   2.039
  196   2HZ   LYS  24          2HZ       LYS  24  17.620  37.027   0.589
  197   3HZ   LYS  24          3HZ       LYS  24  16.787  36.800   1.992
  198    H    THR  25           H        THR  25  21.451  31.670  -3.156
  199    HA   THR  25           HA       THR  25  24.294  32.358  -3.299
  200    HB   THR  25           HB       THR  25  23.357  30.071  -2.689
  201    HG1  THR  25           HG1      THR  25  25.513  30.430  -3.385
  202   1HG2  THR  25          1HG2      THR  25  21.676  30.147  -4.665
  203   2HG2  THR  25          2HG2      THR  25  23.057  29.696  -5.687
  204   3HG2  THR  25          3HG2      THR  25  22.533  28.618  -4.378
  205    H    ARG  26           H        ARG  26  21.494  32.243  -5.469
  206    HA   ARG  26           HA       ARG  26  23.247  33.233  -7.678
  207   1HB   ARG  26          2HB       ARG  26  21.089  31.111  -7.693
  208   2HB   ARG  26          1HB       ARG  26  21.435  32.062  -9.157
  209   1HG   ARG  26          2HG       ARG  26  23.687  31.282  -9.266
  210   2HG   ARG  26          1HG       ARG  26  23.646  30.678  -7.596
  211   1HD   ARG  26          1HD       ARG  26  23.468  28.792  -9.155
  212   2HD   ARG  26          2HD       ARG  26  21.951  28.984  -8.259
  213    HE   ARG  26           HE       ARG  26  20.850  29.570 -10.223
  214   1HH1  ARG  26          1HH1      ARG  26  24.357  29.667 -10.732
  215   2HH1  ARG  26          2HH1      ARG  26  24.236  29.742 -12.474
  216   1HH2  ARG  26          1HH2      ARG  26  20.703  29.667 -12.524
  217   2HH2  ARG  26          2HH2      ARG  26  22.155  29.762 -13.494
  218    H    PHE  27           H        PHE  27  22.742  35.282  -8.091
  219    HA   PHE  27           HA       PHE  27  20.313  36.504  -7.134
  220   1HB   PHE  27          1HB       PHE  27  22.579  37.588  -7.393
  221   2HB   PHE  27          2HB       PHE  27  22.344  37.542  -9.147
  222    HD1  PHE  27           HD1      PHE  27  20.698  39.004 -10.241
  223    HD2  PHE  27           HD2      PHE  27  21.323  39.126  -5.978
  224    HE1  PHE  27           HE1      PHE  27  19.520  41.190 -10.126
  225    HE2  PHE  27           HE2      PHE  27  20.127  41.302  -5.865
  226    HZ   PHE  27           HZ       PHE  27  19.229  42.334  -7.939
  227    H    VAL  28           H        VAL  28  18.387  35.990  -8.046
  228    HA   VAL  28           HA       VAL  28  18.259  35.642 -11.005
  229    HB   VAL  28           HB       VAL  28  16.005  34.559 -10.388
  230   1HG1  VAL  28          1HG1      VAL  28  18.615  33.304  -9.426
  231   2HG1  VAL  28          3HG1      VAL  28  17.117  32.417  -9.798
  232   3HG1  VAL  28          2HG1      VAL  28  17.985  33.273 -11.091
  233   1HG2  VAL  28          2HG2      VAL  28  16.037  35.535  -8.020
  234   2HG2  VAL  28          3HG2      VAL  28  15.701  33.790  -8.124
  235   3HG2  VAL  28          1HG2      VAL  28  17.315  34.354  -7.640
  236    H    ALA  29           H        ALA  29  18.432  38.274  -9.873
  237    HA   ALA  29           HA       ALA  29  17.436  40.318 -10.062
  238   1HB   ALA  29          3HB       ALA  29  16.957  39.359 -12.365
  239   2HB   ALA  29          2HB       ALA  29  15.326  38.959 -11.772
  240   3HB   ALA  29          1HB       ALA  29  15.861  40.654 -11.831
  241    H    GLU  30           H        GLU  30  15.111  41.459  -9.929
  242    HA   GLU  30           HA       GLU  30  14.069  40.701  -7.324
  243   1HB   GLU  30          1HB       GLU  30  13.515  42.903  -9.335
  244   2HB   GLU  30          2HB       GLU  30  12.499  42.689  -7.890
  245   1HG   GLU  30          1HG       GLU  30  15.533  42.969  -7.791
  246   2HG   GLU  30          2HG       GLU  30  14.408  44.331  -7.597
  247    H    GLU  31           H        GLU  31  13.183  40.186 -10.694
  248    HA   GLU  31           HA       GLU  31  10.404  39.813 -10.420
  249   1HB   GLU  31          1HB       GLU  31  11.623  39.993 -12.573
  250   2HB   GLU  31          2HB       GLU  31  12.354  38.396 -12.289
  251   1HG   GLU  31          1HG       GLU  31  10.153  37.334 -12.310
  252   2HG   GLU  31          2HG       GLU  31   9.351  38.915 -12.414
  253    H    THR  32           H        THR  32  12.900  37.176 -10.613
  254    HA   THR  32           HA       THR  32  11.111  35.135  -9.794
  255    HB   THR  32           HB       THR  32  14.083  35.080  -9.251
  256    HG1  THR  32           HG1      THR  32  14.199  35.810 -11.242
  257   1HG2  THR  32          1HG2      THR  32  12.698  33.101  -8.688
  258   2HG2  THR  32          3HG2      THR  32  12.096  33.052 -10.362
  259   3HG2  THR  32          2HG2      THR  32  13.815  32.748 -10.026
  260    H    ARG  33           H        ARG  33  13.435  37.157  -7.958
  261    HA   ARG  33           HA       ARG  33  13.262  35.927  -5.455
  262   1HB   ARG  33          1HB       ARG  33  14.825  37.734  -6.180
  263   2HB   ARG  33          2HB       ARG  33  13.488  38.900  -6.085
  264   1HG   ARG  33          2HG       ARG  33  13.252  38.536  -3.701
  265   2HG   ARG  33          1HG       ARG  33  14.409  37.183  -3.742
  266   1HD   ARG  33          2HD       ARG  33  15.051  40.076  -4.455
  267   2HD   ARG  33          1HD       ARG  33  15.446  39.298  -2.913
  268    HE   ARG  33           HE       ARG  33  16.952  37.782  -4.108
  269   1HH1  ARG  33          1HH1      ARG  33  16.236  40.934  -5.579
  270   2HH1  ARG  33          2HH1      ARG  33  17.371  40.709  -6.892
  271   1HH2  ARG  33          1HH2      ARG  33  18.308  37.447  -5.961
  272   2HH2  ARG  33          2HH2      ARG  33  18.576  38.764  -7.082
  273    H    ASN  34           H        ASN  34  11.305  38.719  -6.660
  274    HA   ASN  34           HA       ASN  34   9.626  38.866  -4.370
  275   1HB   ASN  34          2HB       ASN  34   9.943  40.692  -6.016
  276   2HB   ASN  34          1HB       ASN  34   9.098  39.726  -7.244
  277   1HD2  ASN  34          1HD2      ASN  34   7.008  41.598  -4.206
  278   2HD2  ASN  34          2HD2      ASN  34   8.750  41.440  -4.138
  279    H    ALA  35           H        ALA  35   9.161  37.288  -7.585
  280    HA   ALA  35           HA       ALA  35   6.531  36.395  -7.223
  281   1HB   ALA  35          3HB       ALA  35   7.759  36.266  -9.351
  282   2HB   ALA  35          2HB       ALA  35   8.838  35.027  -8.669
  283   3HB   ALA  35          1HB       ALA  35   7.111  34.671  -8.905
  284    H    VAL  36           H        VAL  36   9.610  34.750  -6.309
  285    HA   VAL  36           HA       VAL  36   8.375  32.391  -5.298
  286    HB   VAL  36           HB       VAL  36  11.057  33.744  -4.831
  287   1HG1  VAL  36          3HG1      VAL  36   9.974  31.152  -3.644
  288   2HG1  VAL  36          2HG1      VAL  36  11.708  31.534  -3.749
  289   3HG1  VAL  36          1HG1      VAL  36  10.635  32.553  -2.766
  290   1HG2  VAL  36          3HG2      VAL  36  10.539  32.661  -7.045
  291   2HG2  VAL  36          1HG2      VAL  36  11.873  31.868  -6.178
  292   3HG2  VAL  36          2HG2      VAL  36  10.254  31.130  -6.188
  293    H    TRP  37           H        TRP  37   9.680  35.273  -3.497
  294    HA   TRP  37           HA       TRP  37   8.821  34.416  -0.956
  295   1HB   TRP  37          1HB       TRP  37   9.227  37.185  -2.111
  296   2HB   TRP  37          2HB       TRP  37   8.876  36.894  -0.403
  297    HD1  TRP  37           HD1      TRP  37  11.650  37.818  -2.237
  298    HE1  TRP  37           HE1      TRP  37  13.909  36.944  -1.366
  299    HE3  TRP  37           HE3      TRP  37   9.952  34.041   0.786
  300    HZ2  TRP  37           HZ2      TRP  37  14.839  34.887   0.386
  301    HZ3  TRP  37           HZ3      TRP  37  11.567  32.644   2.033
  302    HH2  TRP  37           HH2      TRP  37  14.002  33.049   1.819
  303    H    ALA  38           H        ALA  38   7.006  36.020  -3.555
  304    HA   ALA  38           HA       ALA  38   4.742  36.678  -1.893
  305   1HB   ALA  38          1HB       ALA  38   5.034  36.354  -4.909
  306   2HB   ALA  38          2HB       ALA  38   3.607  37.024  -4.090
  307   3HB   ALA  38          3HB       ALA  38   5.170  37.868  -3.986
  308    H    ALA  39           H        ALA  39   5.020  34.257  -4.571
  309    HA   ALA  39           HA       ALA  39   2.680  32.863  -4.085
  310   1HB   ALA  39          1HB       ALA  39   4.159  32.523  -6.027
  311   2HB   ALA  39          2HB       ALA  39   5.367  31.739  -4.981
  312   3HB   ALA  39          3HB       ALA  39   3.781  30.975  -5.237
  313    H    ILE  40           H        ILE  40   5.844  32.412  -2.454
  314    HA   ILE  40           HA       ILE  40   5.514  30.020  -1.147
  315    HB   ILE  40           HB       ILE  40   6.843  32.633  -0.470
  316   1HG1  ILE  40          1HG1      ILE  40   7.663  30.695  -2.049
  317   2HG1  ILE  40          2HG1      ILE  40   8.817  31.460  -0.933
  318   1HG2  ILE  40          2HG2      ILE  40   6.534  30.293   1.453
  319   2HG2  ILE  40          1HG2      ILE  40   7.856  31.478   1.571
  320   3HG2  ILE  40          3HG2      ILE  40   6.174  32.009   1.745
  321   1HD1  ILE  40          3HD1      ILE  40   7.272  28.905  -0.310
  322   2HD1  ILE  40          2HD1      ILE  40   8.932  28.944  -0.950
  323   3HD1  ILE  40          1HD1      ILE  40   8.582  29.633   0.651
  324    H    LYS  41           H        LYS  41   4.378  33.205   0.115
  325    HA   LYS  41           HA       LYS  41   2.831  31.723   2.186
  326   1HB   LYS  41          1HB       LYS  41   2.744  33.860   3.368
  327   2HB   LYS  41          2HB       LYS  41   4.421  33.479   2.919
  328   1HG   LYS  41          2HG       LYS  41   4.147  34.957   0.888
  329   2HG   LYS  41          1HG       LYS  41   2.543  35.417   1.497
  330   1HD   LYS  41          1HD       LYS  41   3.533  36.317   3.546
  331   2HD   LYS  41          2HD       LYS  41   5.150  35.778   3.037
  332   1HE   LYS  41          2HE       LYS  41   3.452  37.668   1.360
  333   2HE   LYS  41          1HE       LYS  41   4.569  38.252   2.615
  334   1HZ   LYS  41          1HZ       LYS  41   5.364  36.537   0.359
  335   2HZ   LYS  41          3HZ       LYS  41   5.528  38.181   0.393
  336   3HZ   LYS  41          2HZ       LYS  41   6.357  37.248   1.470
  337    H    GLU  42           H        GLU  42   2.379  33.889  -0.611
  338    HA   GLU  42           HA       GLU  42  -0.355  34.554   0.050
  339   1HB   GLU  42          1HB       GLU  42   1.187  34.726  -2.575
  340   2HB   GLU  42          2HB       GLU  42  -0.403  35.457  -2.270
  341   1HG   GLU  42          1HG       GLU  42   2.155  36.095  -0.730
  342   2HG   GLU  42          2HG       GLU  42   1.439  37.105  -1.996
  343    H    LEU  43           H        LEU  43   1.213  32.082  -2.044
  344    HA   LEU  43           HA       LEU  43  -1.336  31.173  -3.105
  345   1HB   LEU  43          1HB       LEU  43   1.050  31.063  -4.161
  346   2HB   LEU  43          2HB       LEU  43   1.264  29.610  -3.162
  347    HG   LEU  43           HG       LEU  43  -1.273  29.779  -4.763
  348   1HD1  LEU  43          3HD1      LEU  43   1.465  29.263  -6.008
  349   2HD1  LEU  43          2HD1      LEU  43  -0.100  28.978  -6.806
  350   3HD1  LEU  43          1HD1      LEU  43   0.387  30.632  -6.373
  351   1HD2  LEU  43          2HD2      LEU  43   0.786  27.609  -4.153
  352   2HD2  LEU  43          3HD2      LEU  43  -0.814  27.798  -3.404
  353   3HD2  LEU  43          1HD2      LEU  43  -0.687  27.354  -5.118
  354    H    HIS  44           H        HIS  44   0.886  30.232  -0.496
  355    HA   HIS  44           HA       HIS  44   0.538  28.960   1.378
  356   1HB   HIS  44          1HB       HIS  44  -2.218  28.166   0.394
  357   2HB   HIS  44          2HB       HIS  44  -1.596  28.179   2.047
  358    HD1  HIS  44           HD1      HIS  44  -3.681  30.119  -0.195
  359    HD2  HIS  44           HD2      HIS  44  -1.024  31.024   2.902
  360    HE1  HIS  44           HE1      HIS  44  -4.209  32.475   0.610
  361    H    TYR  45           H        TYR  45   1.318  26.948   1.765
  362    HA   TYR  45           HA       TYR  45   0.610  24.745  -0.053
  363   1HB   TYR  45          1HB       TYR  45   2.861  24.186  -0.627
  364   2HB   TYR  45          2HB       TYR  45   2.568  25.858  -1.103
  365    HD1  TYR  45           HD1      TYR  45   3.238  27.635   0.890
  366    HD2  TYR  45           HD2      TYR  45   4.934  23.731   0.255
  367    HE1  TYR  45           HE1      TYR  45   5.292  28.329   2.093
  368    HE2  TYR  45           HE2      TYR  45   6.992  24.426   1.444
  369    HH   TYR  45           HH       TYR  45   7.996  26.077   2.699
  370    H    SER  46           H        SER  46   1.114  22.655   0.839
  371    HA   SER  46           HA       SER  46   0.322  22.412   3.477
  372   1HB   SER  46          1HB       SER  46   1.552  20.598   1.459
  373   2HB   SER  46          2HB       SER  46   1.567  20.042   3.152
  374    HG   SER  46           HG       SER  46  -0.683  20.449   3.202
  375    HA   PRO  47           HA       PRO  47   4.675  21.701   5.245
  376   1HB   PRO  47          2HB       PRO  47   6.902  22.079   3.579
  377   2HB   PRO  47          1HB       PRO  47   6.160  20.508   3.980
  378   1HG   PRO  47          2HG       PRO  47   5.969  22.099   1.470
  379   2HG   PRO  47          1HG       PRO  47   5.768  20.344   1.721
  380   1HD   PRO  47          1HD       PRO  47   3.681  22.212   1.344
  381   2HD   PRO  47          2HD       PRO  47   3.517  20.553   1.981
  382    H    SER  48           H        SER  48   3.551  23.871   5.769
  383    HA   SER  48           HA       SER  48   5.546  26.055   5.434
  384   1HB   SER  48          1HB       SER  48   3.664  26.334   3.781
  385   2HB   SER  48          2HB       SER  48   2.533  26.407   5.152
  386    HG   SER  48           HG       SER  48   4.650  28.176   4.504
  387    H    ALA  49           H        ALA  49   5.686  27.447   7.209
  388    HA   ALA  49           HA       ALA  49   4.871  26.299   9.733
  389   1HB   ALA  49          3HB       ALA  49   7.010  27.490   9.435
  390   2HB   ALA  49          2HB       ALA  49   6.131  28.988   9.046
  391   3HB   ALA  49          1HB       ALA  49   6.011  28.284  10.676
  392    H    VAL  50           H        VAL  50   3.912  29.200   7.821
  393    HA   VAL  50           HA       VAL  50   1.931  29.974   9.821
  394    HB   VAL  50           HB       VAL  50   2.292  31.072   7.001
  395   1HG1  VAL  50          1HG1      VAL  50   1.234  32.267   9.608
  396   2HG1  VAL  50          2HG1      VAL  50   1.384  33.132   8.061
  397   3HG1  VAL  50          3HG1      VAL  50   0.243  31.778   8.214
  398   1HG2  VAL  50          1HG2      VAL  50   3.781  31.715   9.583
  399   2HG2  VAL  50          3HG2      VAL  50   4.480  31.180   8.035
  400   3HG2  VAL  50          2HG2      VAL  50   3.752  32.797   8.171
  401    H    ALA  51           H        ALA  51   1.090  27.581   9.523
  402    HA   ALA  51           HA       ALA  51  -0.700  27.243   7.218
  403   1HB   ALA  51          3HB       ALA  51   0.530  25.327   8.191
  404   2HB   ALA  51          2HB       ALA  51  -0.302  25.581   9.743
  405   3HB   ALA  51          1HB       ALA  51  -1.229  25.093   8.305
  406    H    ARG  52           H        ARG  52  -1.430  29.579   8.297
  407    HA   ARG  52           HA       ARG  52  -3.796  28.992  10.028
  408   1HB   ARG  52          2HB       ARG  52  -2.209  31.569   9.675
  409   2HB   ARG  52          1HB       ARG  52  -3.614  31.356  10.740
  410   1HG   ARG  52          1HG       ARG  52  -1.012  29.761  10.971
  411   2HG   ARG  52          2HG       ARG  52  -1.391  31.203  11.934
  412   1HD   ARG  52          2HD       ARG  52  -2.956  28.590  11.915
  413   2HD   ARG  52          1HD       ARG  52  -1.909  29.176  13.210
  414    HE   ARG  52           HE       ARG  52  -3.479  31.056  13.545
  415   1HH1  ARG  52          1HH2      ARG  52  -4.690  28.186  11.799
  416   2HH1  ARG  52          2HH2      ARG  52  -6.362  28.549  12.132
  417   1HH2  ARG  52          2HH1      ARG  52  -5.688  31.481  13.972
  418   2HH2  ARG  52          1HH1      ARG  52  -6.932  30.410  13.369
  419    H    SER  53           H        SER  53  -2.558  30.735   7.163
  420    HA   SER  53           HA       SER  53  -5.157  31.832   6.471
  421   1HB   SER  53          1HB       SER  53  -2.590  31.546   4.850
  422   2HB   SER  53          2HB       SER  53  -3.984  32.575   4.437
  423    HG   SER  53           HG       SER  53  -3.617  33.721   6.364
  424    H    LEU  54           H        LEU  54  -6.104  29.527   6.780
  425    HA   LEU  54           HA       LEU  54  -5.640  27.564   4.723
  426   1HB   LEU  54          2HB       LEU  54  -7.940  28.003   6.678
  427   2HB   LEU  54          1HB       LEU  54  -7.752  26.559   5.656
  428    HG   LEU  54           HG       LEU  54  -5.503  27.462   7.491
  429   1HD1  LEU  54          3HD1      LEU  54  -7.864  25.673   8.212
  430   2HD1  LEU  54          2HD1      LEU  54  -6.410  25.914   9.209
  431   3HD1  LEU  54          1HD1      LEU  54  -7.514  27.275   8.904
  432   1HD2  LEU  54          2HD2      LEU  54  -6.383  24.764   6.366
  433   2HD2  LEU  54          3HD2      LEU  54  -5.014  25.741   5.786
  434   3HD2  LEU  54          1HD2      LEU  54  -4.972  25.034   7.416
  435    H    LYS  55           H        LYS  55  -8.227  30.004   5.317
  436    HA   LYS  55           HA       LYS  55  -8.609  30.356   2.453
  437   1HB   LYS  55          2HB       LYS  55 -10.896  29.611   2.333
  438   2HB   LYS  55          1HB       LYS  55  -9.955  28.276   3.030
  439   1HG   LYS  55          2HG       LYS  55 -11.561  28.266   4.649
  440   2HG   LYS  55          1HG       LYS  55 -10.686  29.667   5.303
  441   1HD   LYS  55          2HD       LYS  55 -12.192  30.979   3.514
  442   2HD   LYS  55          1HD       LYS  55 -13.245  29.565   3.711
  443   1HE   LYS  55          2HE       LYS  55 -13.420  29.946   6.097
  444   2HE   LYS  55          1HE       LYS  55 -12.160  31.200   6.043
  445   1HZ   LYS  55          2HZ       LYS  55 -13.625  32.501   4.648
  446   2HZ   LYS  55          3HZ       LYS  55 -14.808  31.355   4.785
  447   3HZ   LYS  55          1HZ       LYS  55 -14.306  32.183   6.119
  448    H    VAL  56           H        VAL  56 -10.174  32.149   2.034
  449    HA   VAL  56           HA       VAL  56  -9.839  34.219   4.071
  450    HB   VAL  56           HB       VAL  56 -11.213  34.270   1.345
  451   1HG1  VAL  56          2HG1      VAL  56 -10.279  36.489   3.225
  452   2HG1  VAL  56          3HG1      VAL  56 -10.864  36.740   1.562
  453   3HG1  VAL  56          1HG1      VAL  56 -11.965  36.102   2.805
  454   1HG2  VAL  56          3HG2      VAL  56  -8.391  35.021   2.239
  455   2HG2  VAL  56          2HG2      VAL  56  -8.839  33.706   1.126
  456   3HG2  VAL  56          1HG2      VAL  56  -9.079  35.400   0.642
   
  No H/Q in entry =         456
  Start of MODEL           7
 Raw file had  466 H/Q atoms
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -3.625  21.486   1.078
    2   2H    MET   1          2H        MET   1  -3.506  21.643   2.715
    3   3H    MET   1          3H        MET   1  -2.760  22.739   1.728
    4    HA   MET   1           HA       MET   1  -1.107  21.332   2.560
    5   1HB   MET   1          2HB       MET   1  -2.711  19.486   3.148
    6   2HB   MET   1          1HB       MET   1  -2.762  19.034   1.429
    7   1HG   MET   1          2HG       MET   1  -0.113  19.293   2.872
    8   2HG   MET   1          1HG       MET   1  -1.087  17.827   3.061
    9   1HE   MET   1          2HE       MET   1   1.027  16.463   2.255
   10   2HE   MET   1          1HE       MET   1   1.865  16.746   0.710
   11   3HE   MET   1          3HE       MET   1   1.935  17.971   1.998
   12    H    ALA   2           H        ALA   2   0.634  21.495   1.254
   13    HA   ALA   2           HA       ALA   2   0.594  20.540  -1.485
   14   1HB   ALA   2          1HB       ALA   2   0.660  23.528  -0.902
   15   2HB   ALA   2          3HB       ALA   2   1.140  22.803  -2.453
   16   3HB   ALA   2          2HB       ALA   2  -0.538  22.654  -1.882
   17    H    THR   3           H        THR   3   2.728  20.643  -2.444
   18    HA   THR   3           HA       THR   3   4.863  20.865  -0.378
   19    HB   THR   3           HB       THR   3   6.057  19.398  -2.239
   20    HG1  THR   3           HG1      THR   3   4.164  19.642  -3.650
   21   1HG2  THR   3          1HG2      THR   3   3.858  18.353  -0.400
   22   2HG2  THR   3          2HG2      THR   3   5.161  17.369  -1.111
   23   3HG2  THR   3          3HG2      THR   3   5.554  18.656   0.055
   24    H    ILE   4           H        ILE   4   6.953  21.653  -1.068
   25    HA   ILE   4           HA       ILE   4   6.826  24.125  -2.426
   26    HB   ILE   4           HB       ILE   4   8.492  23.481  -0.712
   27   1HG1  ILE   4          1HG1      ILE   4   8.832  25.208  -2.766
   28   2HG1  ILE   4          2HG1      ILE   4  10.046  24.964  -1.493
   29   1HG2  ILE   4          2HG2      ILE   4   9.677  21.728  -2.910
   30   2HG2  ILE   4          1HG2      ILE   4  10.448  22.089  -1.349
   31   3HG2  ILE   4          3HG2      ILE   4   8.929  21.171  -1.398
   32   1HD1  ILE   4          2HD1      ILE   4  10.044  23.455  -4.143
   33   2HD1  ILE   4          1HD1      ILE   4  10.993  24.915  -3.824
   34   3HD1  ILE   4          3HD1      ILE   4  11.312  23.435  -2.899
   35    H    LYS   5           H        LYS   5   7.371  20.850  -3.577
   36    HA   LYS   5           HA       LYS   5   8.688  21.187  -5.991
   37   1HB   LYS   5          1HB       LYS   5   6.323  19.417  -5.254
   38   2HB   LYS   5          2HB       LYS   5   7.259  19.233  -6.751
   39   1HG   LYS   5          2HG       LYS   5   9.338  18.957  -5.372
   40   2HG   LYS   5          1HG       LYS   5   8.341  19.031  -3.899
   41   1HD   LYS   5          1HD       LYS   5   7.944  16.991  -6.139
   42   2HD   LYS   5          2HD       LYS   5   8.880  16.681  -4.659
   43   1HE   LYS   5          2HE       LYS   5   6.820  17.277  -3.315
   44   2HE   LYS   5          1HE       LYS   5   5.912  17.365  -4.839
   45   1HZ   LYS   5          2HZ       LYS   5   6.488  15.083  -5.241
   46   2HZ   LYS   5          3HZ       LYS   5   7.318  14.999  -3.818
   47   3HZ   LYS   5          1HZ       LYS   5   5.685  15.240  -3.808
   48    H    ASP   6           H        ASP   6   5.109  21.135  -5.625
   49    HA   ASP   6           HA       ASP   6   4.505  21.981  -8.245
   50   1HB   ASP   6          1HB       ASP   6   2.833  22.578  -5.781
   51   2HB   ASP   6          2HB       ASP   6   2.276  22.236  -7.432
   52    H    VAL   7           H        VAL   7   4.903  23.881  -5.217
   53    HA   VAL   7           HA       VAL   7   4.128  26.392  -6.231
   54    HB   VAL   7           HB       VAL   7   6.173  25.660  -4.092
   55   1HG1  VAL   7          3HG1      VAL   7   4.774  28.298  -4.703
   56   2HG1  VAL   7          2HG1      VAL   7   5.738  27.966  -3.250
   57   3HG1  VAL   7          1HG1      VAL   7   6.517  27.976  -4.844
   58   1HG2  VAL   7          3HG2      VAL   7   3.217  26.409  -3.970
   59   2HG2  VAL   7          1HG2      VAL   7   3.902  24.802  -3.648
   60   3HG2  VAL   7          2HG2      VAL   7   4.270  26.157  -2.559
   61    H    ALA   8           H        ALA   8   7.331  24.761  -6.263
   62    HA   ALA   8           HA       ALA   8   8.813  26.949  -7.293
   63   1HB   ALA   8          1HB       ALA   8   9.761  24.894  -6.249
   64   2HB   ALA   8          3HB       ALA   8   9.293  23.973  -7.696
   65   3HB   ALA   8          2HB       ALA   8  10.492  25.277  -7.822
   66    H    LYS   9           H        LYS   9   6.971  24.331  -8.926
   67    HA   LYS   9           HA       LYS   9   7.829  24.977 -11.580
   68   1HB   LYS   9          1HB       LYS   9   5.299  23.645 -10.524
   69   2HB   LYS   9          2HB       LYS   9   5.755  23.717 -12.242
   70   1HG   LYS   9          2HG       LYS   9   7.813  22.478 -11.802
   71   2HG   LYS   9          1HG       LYS   9   7.500  22.508 -10.051
   72   1HD   LYS   9          2HD       LYS   9   5.373  21.243 -10.447
   73   2HD   LYS   9          1HD       LYS   9   5.791  21.136 -12.173
   74   1HE   LYS   9          1HE       LYS   9   7.878  19.939 -11.600
   75   2HE   LYS   9          2HE       LYS   9   7.486  20.068  -9.871
   76   1HZ   LYS   9          3HZ       LYS   9   5.885  18.652 -11.886
   77   2HZ   LYS   9          2HZ       LYS   9   6.871  17.948 -10.768
   78   3HZ   LYS   9          1HZ       LYS   9   5.527  18.770 -10.279
   79    H    ARG  10           H        ARG  10   4.920  25.907  -9.669
   80    HA   ARG  10           HA       ARG  10   3.788  27.588 -11.681
   81   1HB   ARG  10          1HB       ARG  10   2.502  26.681  -9.802
   82   2HB   ARG  10          2HB       ARG  10   3.505  27.582  -8.643
   83   1HG   ARG  10          1HG       ARG  10   2.285  29.247 -10.791
   84   2HG   ARG  10          2HG       ARG  10   1.122  28.492  -9.682
   85   1HD   ARG  10          2HD       ARG  10   2.346  29.408  -7.742
   86   2HD   ARG  10          1HD       ARG  10   3.530  30.160  -8.827
   87    HE   ARG  10           HE       ARG  10   0.789  31.058  -8.264
   88   1HH1  ARG  10          1HH2      ARG  10   3.427  31.142 -10.643
   89   2HH1  ARG  10          2HH2      ARG  10   3.069  32.773 -11.170
   90   1HH2  ARG  10          1HH1      ARG  10   0.418  33.255  -8.865
   91   2HH2  ARG  10          2HH1      ARG  10   1.294  33.939 -10.225
   92    H    ALA  11           H        ALA  11   6.275  28.113  -9.192
   93    HA   ALA  11           HA       ALA  11   6.214  30.989  -9.312
   94   1HB   ALA  11          3HB       ALA  11   8.358  29.037  -8.383
   95   2HB   ALA  11          1HB       ALA  11   8.382  30.793  -8.109
   96   3HB   ALA  11          2HB       ALA  11   7.107  29.795  -7.373
   97    H    ASN  12           H        ASN  12   8.470  28.512 -10.714
   98    HA   ASN  12           HA       ASN  12   8.999  30.373 -12.942
   99   1HB   ASN  12          1HB       ASN  12  10.633  31.028 -11.246
  100   2HB   ASN  12          2HB       ASN  12  11.156  29.342 -11.060
  101   1HD2  ASN  12          1HD2      ASN  12  13.618  29.721 -13.528
  102   2HD2  ASN  12          2HD2      ASN  12  13.132  29.078 -11.971
  103    H    VAL  13           H        VAL  13  10.929  27.545 -11.802
  104    HA   VAL  13           HA       VAL  13   9.827  25.949 -14.053
  105    HB   VAL  13           HB       VAL  13  12.777  26.616 -13.615
  106   1HG1  VAL  13          1HG1      VAL  13  11.400  24.629 -15.480
  107   2HG1  VAL  13          2HG1      VAL  13  13.085  25.164 -15.671
  108   3HG1  VAL  13          3HG1      VAL  13  12.599  24.266 -14.218
  109   1HG2  VAL  13          2HG2      VAL  13  10.828  27.148 -15.908
  110   2HG2  VAL  13          3HG2      VAL  13  11.565  28.364 -14.840
  111   3HG2  VAL  13          1HG2      VAL  13  12.579  27.451 -15.975
  112    H    SER  14           H        SER  14  12.546  25.744 -11.651
  113    HA   SER  14           HA       SER  14  11.312  23.216 -10.655
  114   1HB   SER  14          2HB       SER  14  14.211  23.692 -11.465
  115   2HB   SER  14          1HB       SER  14  13.635  22.262 -10.575
  116    HG   SER  14           HG       SER  14  13.708  21.936 -12.850
  117    H    THR  15           H        THR  15  12.535  22.463  -8.634
  118    HA   THR  15           HA       THR  15  12.091  24.277  -6.560
  119    HB   THR  15           HB       THR  15  13.417  22.634  -5.195
  120    HG1  THR  15           HG1      THR  15  14.229  20.834  -6.336
  121   1HG2  THR  15          1HG2      THR  15  10.994  22.297  -5.824
  122   2HG2  THR  15          3HG2      THR  15  11.536  21.319  -7.207
  123   3HG2  THR  15          2HG2      THR  15  11.880  20.780  -5.548
  124    H    THR  16           H        THR  16  15.031  23.764  -8.501
  125    HA   THR  16           HA       THR  16  16.973  24.855  -6.844
  126    HB   THR  16           HB       THR  16  17.300  23.811  -9.107
  127    HG1  THR  16           HG1      THR  16  18.479  26.376  -8.757
  128   1HG2  THR  16          1HG2      THR  16  15.520  25.270 -10.234
  129   2HG2  THR  16          3HG2      THR  16  16.716  26.591 -10.204
  130   3HG2  THR  16          2HG2      THR  16  17.057  25.100 -11.111
  131    H    THR  17           H        THR  17  14.641  26.646  -8.947
  132    HA   THR  17           HA       THR  17  15.715  29.219  -8.537
  133    HB   THR  17           HB       THR  17  12.758  28.579  -8.825
  134    HG1  THR  17           HG1      THR  17  14.885  28.435 -10.693
  135   1HG2  THR  17          3HG2      THR  17  14.545  30.813  -9.891
  136   2HG2  THR  17          1HG2      THR  17  12.801  30.657 -10.177
  137   3HG2  THR  17          2HG2      THR  17  13.403  30.961  -8.536
  138    H    VAL  18           H        VAL  18  13.743  27.205  -6.414
  139    HA   VAL  18           HA       VAL  18  13.200  29.444  -4.578
  140    HB   VAL  18           HB       VAL  18  12.619  26.460  -4.321
  141   1HG1  VAL  18          2HG1      VAL  18  11.578  28.920  -2.852
  142   2HG1  VAL  18          1HG1      VAL  18  10.890  27.287  -2.692
  143   3HG1  VAL  18          3HG1      VAL  18  12.559  27.604  -2.167
  144   1HG2  VAL  18          1HG2      VAL  18  10.926  28.754  -5.395
  145   2HG2  VAL  18          2HG2      VAL  18  11.482  27.326  -6.298
  146   3HG2  VAL  18          3HG2      VAL  18  10.289  27.143  -4.991
  147    H    SER  19           H        SER  19  15.290  26.567  -4.885
  148    HA   SER  19           HA       SER  19  16.211  26.407  -2.229
  149   1HB   SER  19          1HB       SER  19  17.741  25.811  -4.797
  150   2HB   SER  19          2HB       SER  19  18.094  25.162  -3.178
  151    HG   SER  19           HG       SER  19  16.843  23.721  -4.452
  152    H    HIS  20           H        HIS  20  17.488  28.309  -5.021
  153    HA   HIS  20           HA       HIS  20  19.777  29.319  -3.731
  154   1HB   HIS  20          2HB       HIS  20  18.025  30.864  -5.663
  155   2HB   HIS  20          1HB       HIS  20  19.759  31.059  -5.376
  156    HD1  HIS  20           HD1      HIS  20  20.999  28.388  -5.765
  157    HD2  HIS  20           HD2      HIS  20  17.745  29.672  -8.038
  158    HE1  HIS  20           HE1      HIS  20  20.987  27.028  -7.917
  159    H    VAL  21           H        VAL  21  16.390  30.522  -3.699
  160    HA   VAL  21           HA       VAL  21  16.951  32.980  -2.438
  161    HB   VAL  21           HB       VAL  21  14.414  31.372  -1.968
  162   1HG1  VAL  21          3HG1      VAL  21  15.059  34.337  -2.281
  163   2HG1  VAL  21          1HG1      VAL  21  13.410  33.673  -2.203
  164   3HG1  VAL  21          2HG1      VAL  21  14.502  33.511  -0.806
  165   1HG2  VAL  21          2HG2      VAL  21  15.415  32.764  -4.466
  166   2HG2  VAL  21          1HG2      VAL  21  14.734  31.132  -4.301
  167   3HG2  VAL  21          3HG2      VAL  21  13.676  32.546  -4.145
  168    H    ILE  22           H        ILE  22  16.759  29.747  -1.019
  169    HA   ILE  22           HA       ILE  22  16.359  30.818   1.658
  170    HB   ILE  22           HB       ILE  22  17.300  28.005   1.060
  171   1HG1  ILE  22          2HG1      ILE  22  14.525  29.197   0.597
  172   2HG1  ILE  22          1HG1      ILE  22  15.547  28.333  -0.571
  173   1HG2  ILE  22          3HG2      ILE  22  16.995  28.883   3.419
  174   2HG2  ILE  22          2HG2      ILE  22  15.274  29.139   3.046
  175   3HG2  ILE  22          1HG2      ILE  22  15.960  27.495   3.034
  176   1HD1  ILE  22          2HD1      ILE  22  15.411  26.307   0.980
  177   2HD1  ILE  22          3HD1      ILE  22  14.126  27.182   1.849
  178   3HD1  ILE  22          1HD1      ILE  22  13.908  26.753   0.138
  179    H    ASN  23           H        ASN  23  19.210  29.958  -0.316
  180    HA   ASN  23           HA       ASN  23  20.889  30.333   2.148
  181   1HB   ASN  23          2HB       ASN  23  22.466  28.790   1.260
  182   2HB   ASN  23          1HB       ASN  23  20.870  28.033   1.091
  183   1HD2  ASN  23          1HD2      ASN  23  20.861  28.061  -2.474
  184   2HD2  ASN  23          2HD2      ASN  23  19.841  28.031  -1.052
  185    H    LYS  24           H        LYS  24  20.466  31.179  -1.262
  186    HA   LYS  24           HA       LYS  24  21.702  33.682  -1.161
  187   1HB   LYS  24          2HB       LYS  24  23.668  31.539  -1.169
  188   2HB   LYS  24          1HB       LYS  24  23.751  32.420  -2.706
  189   1HG   LYS  24          1HG       LYS  24  24.022  34.542  -1.570
  190   2HG   LYS  24          2HG       LYS  24  23.734  33.795   0.017
  191   1HD   LYS  24          2HD       LYS  24  25.917  32.535  -1.571
  192   2HD   LYS  24          1HD       LYS  24  26.226  34.218  -1.088
  193   1HE   LYS  24          1HE       LYS  24  27.060  32.674   0.634
  194   2HE   LYS  24          2HE       LYS  24  25.716  33.641   1.271
  195   1HZ   LYS  24          1HZ       LYS  24  25.482  30.899   0.241
  196   2HZ   LYS  24          2HZ       LYS  24  25.550  31.312   1.834
  197   3HZ   LYS  24          3HZ       LYS  24  24.267  31.795   0.911
  198    H    THR  25           H        THR  25  20.217  34.351  -2.599
  199    HA   THR  25           HA       THR  25  18.990  32.976  -4.651
  200    HB   THR  25           HB       THR  25  18.531  35.193  -5.654
  201    HG1  THR  25           HG1      THR  25  20.204  36.171  -3.575
  202   1HG2  THR  25          3HG2      THR  25  18.332  34.943  -2.618
  203   2HG2  THR  25          1HG2      THR  25  17.504  36.204  -3.559
  204   3HG2  THR  25          2HG2      THR  25  17.112  34.494  -3.830
  205    H    ARG  26           H        ARG  26  22.189  34.553  -4.768
  206    HA   ARG  26           HA       ARG  26  23.858  34.411  -6.338
  207   1HB   ARG  26          1HB       ARG  26  22.369  32.055  -6.843
  208   2HB   ARG  26          2HB       ARG  26  22.545  32.830  -8.426
  209   1HG   ARG  26          1HG       ARG  26  24.449  31.355  -8.060
  210   2HG   ARG  26          2HG       ARG  26  25.021  33.038  -7.993
  211   1HD   ARG  26          1HD       ARG  26  25.887  31.447  -6.156
  212   2HD   ARG  26          2HD       ARG  26  25.215  32.990  -5.615
  213    HE   ARG  26           HE       ARG  26  23.316  31.888  -4.738
  214   1HH1  ARG  26          2HH2      ARG  26  25.394  29.602  -6.487
  215   2HH1  ARG  26          1HH2      ARG  26  24.789  28.203  -5.635
  216   1HH2  ARG  26          1HH1      ARG  26  22.468  30.043  -3.694
  217   2HH2  ARG  26          2HH1      ARG  26  23.134  28.456  -4.021
  218    H    PHE  27           H        PHE  27  23.674  34.478  -9.207
  219    HA   PHE  27           HA       PHE  27  22.729  37.219  -9.472
  220   1HB   PHE  27          1HB       PHE  27  24.806  36.591 -10.518
  221   2HB   PHE  27          2HB       PHE  27  24.032  35.254 -11.382
  222    HD1  PHE  27           HD1      PHE  27  22.481  38.650 -11.068
  223    HD2  PHE  27           HD2      PHE  27  24.703  35.941 -13.589
  224    HE1  PHE  27           HE1      PHE  27  22.072  40.123 -13.020
  225    HE2  PHE  27           HE2      PHE  27  24.286  37.425 -15.537
  226    HZ   PHE  27           HZ       PHE  27  22.972  39.512 -15.253
  227    H    VAL  28           H        VAL  28  20.502  37.274  -9.342
  228    HA   VAL  28           HA       VAL  28  19.093  36.413 -11.780
  229    HB   VAL  28           HB       VAL  28  17.130  35.656 -10.205
  230   1HG1  VAL  28          3HG1      VAL  28  18.486  34.214 -11.805
  231   2HG1  VAL  28          2HG1      VAL  28  19.578  33.835 -10.454
  232   3HG1  VAL  28          1HG1      VAL  28  17.874  33.345 -10.381
  233   1HG2  VAL  28          1HG2      VAL  28  18.260  36.323  -8.084
  234   2HG2  VAL  28          2HG2      VAL  28  17.906  34.583  -8.108
  235   3HG2  VAL  28          3HG2      VAL  28  19.557  35.150  -8.402
  236    H    ALA  29           H        ALA  29  17.197  37.669 -12.148
  237    HA   ALA  29           HA       ALA  29  17.344  40.323 -11.050
  238   1HB   ALA  29          3HB       ALA  29  16.573  39.843 -13.355
  239   2HB   ALA  29          2HB       ALA  29  15.173  38.953 -12.704
  240   3HB   ALA  29          1HB       ALA  29  15.323  40.706 -12.428
  241    H    GLU  30           H        GLU  30  15.706  41.403  -9.782
  242    HA   GLU  30           HA       GLU  30  14.889  40.029  -7.466
  243   1HB   GLU  30          1HB       GLU  30  13.873  42.584  -8.783
  244   2HB   GLU  30          2HB       GLU  30  13.331  42.027  -7.184
  245   1HG   GLU  30          2HG       GLU  30  15.111  43.555  -6.748
  246   2HG   GLU  30          1HG       GLU  30  15.798  41.939  -6.504
  247    H    GLU  31           H        GLU  31  13.267  40.507 -10.587
  248    HA   GLU  31           HA       GLU  31  10.641  39.822  -9.930
  249   1HB   GLU  31          1HB       GLU  31  11.495  40.677 -12.132
  250   2HB   GLU  31          2HB       GLU  31  12.165  39.061 -12.457
  251   1HG   GLU  31          2HG       GLU  31   9.936  38.065 -12.352
  252   2HG   GLU  31          1HG       GLU  31   9.228  39.616 -11.847
  253    H    THR  32           H        THR  32  13.464  37.635 -10.624
  254    HA   THR  32           HA       THR  32  11.880  35.255 -10.660
  255    HB   THR  32           HB       THR  32  14.781  35.343  -9.827
  256    HG1  THR  32           HG1      THR  32  15.203  35.508 -12.116
  257   1HG2  THR  32          3HG2      THR  32  13.549  33.172 -10.060
  258   2HG2  THR  32          2HG2      THR  32  13.201  33.586 -11.753
  259   3HG2  THR  32          1HG2      THR  32  14.881  33.329 -11.229
  260    H    ARG  33           H        ARG  33  13.061  37.296  -8.057
  261    HA   ARG  33           HA       ARG  33  12.823  35.187  -6.027
  262   1HB   ARG  33          1HB       ARG  33  13.168  38.182  -5.630
  263   2HB   ARG  33          2HB       ARG  33  13.526  36.888  -4.470
  264   1HG   ARG  33          2HG       ARG  33  14.962  37.388  -7.118
  265   2HG   ARG  33          1HG       ARG  33  15.597  37.709  -5.490
  266   1HD   ARG  33          2HD       ARG  33  16.463  35.639  -5.585
  267   2HD   ARG  33          1HD       ARG  33  14.823  35.052  -5.305
  268    HE   ARG  33           HE       ARG  33  15.743  35.548  -8.094
  269   1HH1  ARG  33          1HH2      ARG  33  13.829  33.511  -6.036
  270   2HH1  ARG  33          2HH2      ARG  33  14.312  31.995  -6.765
  271   1HH2  ARG  33          2HH1      ARG  33  16.429  33.512  -9.142
  272   2HH2  ARG  33          1HH1      ARG  33  15.652  32.029  -8.645
  273    H    ASN  34           H        ASN  34  11.125  38.207  -6.982
  274    HA   ASN  34           HA       ASN  34   9.116  38.176  -5.020
  275   1HB   ASN  34          2HB       ASN  34   9.106  39.089  -7.924
  276   2HB   ASN  34          1HB       ASN  34   7.753  39.378  -6.811
  277   1HD2  ASN  34          1HD2      ASN  34   9.609  41.690  -4.711
  278   2HD2  ASN  34          2HD2      ASN  34   8.446  40.385  -4.615
  279    H    ALA  35           H        ALA  35   9.287  36.507  -8.194
  280    HA   ALA  35           HA       ALA  35   6.681  35.435  -8.210
  281   1HB   ALA  35          1HB       ALA  35   8.213  35.443 -10.143
  282   2HB   ALA  35          2HB       ALA  35   9.266  34.266  -9.320
  283   3HB   ALA  35          3HB       ALA  35   7.617  33.801  -9.805
  284    H    VAL  36           H        VAL  36   9.702  34.156  -6.700
  285    HA   VAL  36           HA       VAL  36   8.581  31.613  -6.023
  286    HB   VAL  36           HB       VAL  36  10.957  33.218  -5.023
  287   1HG1  VAL  36          1HG1      VAL  36   9.960  30.481  -4.128
  288   2HG1  VAL  36          3HG1      VAL  36  11.634  31.038  -3.899
  289   3HG1  VAL  36          2HG1      VAL  36  10.299  31.900  -3.109
  290   1HG2  VAL  36          3HG2      VAL  36  10.656  30.649  -6.641
  291   2HG2  VAL  36          1HG2      VAL  36  11.066  32.246  -7.300
  292   3HG2  VAL  36          2HG2      VAL  36  12.196  31.423  -6.203
  293    H    TRP  37           H        TRP  37   9.195  34.529  -3.960
  294    HA   TRP  37           HA       TRP  37   7.901  33.376  -1.694
  295   1HB   TRP  37          1HB       TRP  37   8.707  36.183  -2.453
  296   2HB   TRP  37          2HB       TRP  37   7.868  35.835  -0.933
  297    HD1  TRP  37           HD1      TRP  37  11.194  36.399  -2.039
  298    HE1  TRP  37           HE1      TRP  37  13.002  35.276  -0.580
  299    HE3  TRP  37           HE3      TRP  37   8.242  33.067   0.509
  300    HZ2  TRP  37           HZ2      TRP  37  13.146  33.202   1.386
  301    HZ3  TRP  37           HZ3      TRP  37   9.262  31.531   2.164
  302    HH2  TRP  37           HH2      TRP  37  11.704  31.591   2.603
  303    H    ALA  38           H        ALA  38   6.680  35.249  -4.459
  304    HA   ALA  38           HA       ALA  38   4.116  35.850  -3.303
  305   1HB   ALA  38          2HB       ALA  38   4.999  35.525  -6.202
  306   2HB   ALA  38          3HB       ALA  38   3.435  36.193  -5.678
  307   3HB   ALA  38          1HB       ALA  38   4.944  37.042  -5.273
  308    H    ALA  39           H        ALA  39   5.279  33.232  -5.509
  309    HA   ALA  39           HA       ALA  39   2.844  31.812  -5.687
  310   1HB   ALA  39          2HB       ALA  39   4.798  31.426  -7.139
  311   2HB   ALA  39          1HB       ALA  39   5.711  30.782  -5.755
  312   3HB   ALA  39          3HB       ALA  39   4.281  29.913  -6.357
  313    H    ILE  40           H        ILE  40   5.518  31.618  -3.300
  314    HA   ILE  40           HA       ILE  40   4.697  29.353  -1.864
  315    HB   ILE  40           HB       ILE  40   6.213  31.881  -1.212
  316   1HG1  ILE  40          1HG1      ILE  40   7.130  29.832  -2.502
  317   2HG1  ILE  40          2HG1      ILE  40   8.100  30.457  -1.151
  318   1HG2  ILE  40          2HG2      ILE  40   5.299  29.771   0.778
  319   2HG2  ILE  40          1HG2      ILE  40   6.743  30.781   1.050
  320   3HG2  ILE  40          3HG2      ILE  40   5.144  31.539   0.893
  321   1HD1  ILE  40          2HD1      ILE  40   6.170  28.099  -0.982
  322   2HD1  ILE  40          3HD1      ILE  40   7.939  27.981  -1.092
  323   3HD1  ILE  40          1HD1      ILE  40   7.182  28.720   0.336
  324    H    LYS  41           H        LYS  41   3.796  32.794  -1.332
  325    HA   LYS  41           HA       LYS  41   2.026  32.153   0.855
  326   1HB   LYS  41          1HB       LYS  41   3.297  34.339   0.440
  327   2HB   LYS  41          2HB       LYS  41   2.108  34.684  -0.837
  328   1HG   LYS  41          1HG       LYS  41   1.207  35.778   1.046
  329   2HG   LYS  41          2HG       LYS  41   0.315  34.243   1.019
  330   1HD   LYS  41          1HD       LYS  41   1.915  33.297   2.683
  331   2HD   LYS  41          2HD       LYS  41   2.786  34.847   2.717
  332   1HE   LYS  41          2HE       LYS  41  -0.168  34.509   3.407
  333   2HE   LYS  41          1HE       LYS  41   1.141  34.549   4.607
  334   1HZ   LYS  41          2HZ       LYS  41   1.705  36.739   3.806
  335   2HZ   LYS  41          1HZ       LYS  41   0.451  36.705   2.734
  336   3HZ   LYS  41          3HZ       LYS  41   0.151  36.686   4.355
  337    H    GLU  42           H        GLU  42   1.716  32.578  -2.652
  338    HA   GLU  42           HA       GLU  42  -1.082  32.964  -2.746
  339   1HB   GLU  42          1HB       GLU  42   0.514  33.453  -4.594
  340   2HB   GLU  42          2HB       GLU  42   0.761  31.708  -4.817
  341   1HG   GLU  42          2HG       GLU  42  -1.759  31.513  -5.177
  342   2HG   GLU  42          1HG       GLU  42  -1.807  33.288  -5.216
  343    H    LEU  43           H        LEU  43   0.785  29.972  -3.552
  344    HA   LEU  43           HA       LEU  43  -1.674  28.385  -3.424
  345   1HB   LEU  43          1HB       LEU  43   1.227  27.584  -3.890
  346   2HB   LEU  43          2HB       LEU  43  -0.191  26.544  -4.137
  347    HG   LEU  43           HG       LEU  43   0.396  29.149  -5.631
  348   1HD1  LEU  43          2HD1      LEU  43   0.468  26.223  -6.489
  349   2HD1  LEU  43          3HD1      LEU  43   0.674  27.616  -7.575
  350   3HD1  LEU  43          1HD1      LEU  43   1.871  27.299  -6.299
  351   1HD2  LEU  43          2HD2      LEU  43  -1.908  27.157  -5.754
  352   2HD2  LEU  43          3HD2      LEU  43  -1.994  28.914  -5.481
  353   3HD2  LEU  43          1HD2      LEU  43  -1.539  28.286  -7.079
  354    H    HIS  44           H        HIS  44   0.931  29.234  -1.245
  355    HA   HIS  44           HA       HIS  44   1.274  28.703   0.943
  356   1HB   HIS  44          1HB       HIS  44  -0.586  28.358   2.113
  357   2HB   HIS  44          2HB       HIS  44  -1.469  28.054   0.612
  358    HD1  HIS  44           HD1      HIS  44   0.542  26.166   3.292
  359    HD2  HIS  44           HD2      HIS  44  -2.360  25.430   0.360
  360    HE1  HIS  44           HE1      HIS  44  -0.239  23.761   3.563
  361    H    TYR  45           H        TYR  45   2.673  27.308   1.887
  362    HA   TYR  45           HA       TYR  45   3.055  24.633   0.593
  363   1HB   TYR  45          1HB       TYR  45   4.865  25.929  -0.191
  364   2HB   TYR  45          2HB       TYR  45   5.022  26.810   1.336
  365    HD1  TYR  45           HD2      TYR  45   5.050  23.173   0.316
  366    HD2  TYR  45           HD1      TYR  45   6.996  26.356   2.465
  367    HE1  TYR  45           HE2      TYR  45   6.815  21.593   1.059
  368    HE2  TYR  45           HE1      TYR  45   8.765  24.775   3.200
  369    HH   TYR  45           HH       TYR  45   8.718  21.311   2.303
  370    H    SER  46           H        SER  46   3.453  22.923   1.994
  371    HA   SER  46           HA       SER  46   3.139  23.546   4.891
  372   1HB   SER  46          2HB       SER  46   1.546  21.986   3.485
  373   2HB   SER  46          1HB       SER  46   2.846  20.792   3.705
  374    HG   SER  46           HG       SER  46   1.564  22.271   5.771
  375    HA   PRO  47           HA       PRO  47   7.522  22.431   4.853
  376   1HB   PRO  47          1HB       PRO  47   7.836  23.013   7.618
  377   2HB   PRO  47          2HB       PRO  47   8.189  24.104   6.249
  378   1HG   PRO  47          2HG       PRO  47   5.959  24.194   8.160
  379   2HG   PRO  47          1HG       PRO  47   6.478  25.426   6.976
  380   1HD   PRO  47          2HD       PRO  47   4.215  23.663   6.802
  381   2HD   PRO  47          1HD       PRO  47   4.800  24.819   5.568
  382    H    SER  48           H        SER  48   8.864  21.177   6.821
  383    HA   SER  48           HA       SER  48   8.095  18.517   6.783
  384   1HB   SER  48          1HB       SER  48   9.550  19.906   9.073
  385   2HB   SER  48          2HB       SER  48   9.682  18.196   8.593
  386    HG   SER  48           HG       SER  48  10.502  18.938   6.573
  387    H    ALA  49           H        ALA  49   7.259  21.030   9.209
  388    HA   ALA  49           HA       ALA  49   5.634  19.214  10.795
  389   1HB   ALA  49          2HB       ALA  49   5.852  22.256  10.724
  390   2HB   ALA  49          3HB       ALA  49   4.965  21.319  11.949
  391   3HB   ALA  49          1HB       ALA  49   6.733  21.160  11.816
  392    H    VAL  50           H        VAL  50   4.277  18.293   9.156
  393    HA   VAL  50           HA       VAL  50   2.774  19.597   7.230
  394    HB   VAL  50           HB       VAL  50   1.997  17.206   8.959
  395   1HG1  VAL  50          2HG1      VAL  50   0.902  18.237   6.301
  396   2HG1  VAL  50          1HG1      VAL  50   0.553  16.626   6.973
  397   3HG1  VAL  50          3HG1      VAL  50   0.012  18.082   7.837
  398   1HG2  VAL  50          1HG2      VAL  50   3.396  17.464   6.257
  399   2HG2  VAL  50          2HG2      VAL  50   4.115  16.867   7.770
  400   3HG2  VAL  50          3HG2      VAL  50   2.838  15.929   6.964
  401    H    ALA  51           H        ALA  51   1.328  21.193   7.302
  402    HA   ALA  51           HA       ALA  51   0.145  22.036   9.825
  403   1HB   ALA  51          2HB       ALA  51   0.885  23.660   8.121
  404   2HB   ALA  51          3HB       ALA  51  -0.279  22.982   6.956
  405   3HB   ALA  51          1HB       ALA  51  -0.862  23.810   8.419
  406    H    ARG  52           H        ARG  52  -0.862  19.800  10.103
  407    HA   ARG  52           HA       ARG  52  -2.968  18.863   8.473
  408   1HB   ARG  52          2HB       ARG  52  -1.728  17.679  10.379
  409   2HB   ARG  52          1HB       ARG  52  -2.777  18.579  11.499
  410   1HG   ARG  52          1HG       ARG  52  -3.885  16.503  11.194
  411   2HG   ARG  52          2HG       ARG  52  -4.761  17.617  10.123
  412   1HD   ARG  52          1HD       ARG  52  -3.489  16.810   8.187
  413   2HD   ARG  52          2HD       ARG  52  -2.487  15.786   9.238
  414    HE   ARG  52           HE       ARG  52  -5.214  15.103   9.650
  415   1HH1  ARG  52          2HH1      ARG  52  -2.709  14.938   7.153
  416   2HH1  ARG  52          1HH1      ARG  52  -3.358  13.500   6.402
  417   1HH2  ARG  52          1HH2      ARG  52  -6.074  13.207   8.650
  418   2HH2  ARG  52          2HH2      ARG  52  -5.282  12.515   7.254
  419    H    SER  53           H        SER  53  -2.896  21.348  11.016
  420    HA   SER  53           HA       SER  53  -5.697  21.572  11.449
  421   1HB   SER  53          1HB       SER  53  -3.884  22.541  12.884
  422   2HB   SER  53          2HB       SER  53  -3.563  23.744  11.612
  423    HG   SER  53           HG       SER  53  -5.011  24.526  13.202
  424    H    LEU  54           H        LEU  54  -3.547  22.814   8.903
  425    HA   LEU  54           HA       LEU  54  -3.926  24.035   7.014
  426   1HB   LEU  54          2HB       LEU  54  -6.694  22.786   7.317
  427   2HB   LEU  54          1HB       LEU  54  -6.126  23.627   5.860
  428    HG   LEU  54           HG       LEU  54  -4.649  21.256   7.080
  429   1HD1  LEU  54          1HD1      LEU  54  -6.716  21.293   4.840
  430   2HD1  LEU  54          3HD1      LEU  54  -5.735  19.888   5.323
  431   3HD1  LEU  54          2HD1      LEU  54  -6.934  20.564   6.450
  432   1HD2  LEU  54          3HD2      LEU  54  -4.578  22.646   4.367
  433   2HD2  LEU  54          2HD2      LEU  54  -3.280  22.614   5.582
  434   3HD2  LEU  54          1HD2      LEU  54  -3.736  21.123   4.733
  435    H    LYS  55           H        LYS  55  -7.316  24.627   7.482
  436    HA   LYS  55           HA       LYS  55  -6.989  27.069   9.027
  437   1HB   LYS  55          2HB       LYS  55  -6.160  27.727   6.747
  438   2HB   LYS  55          1HB       LYS  55  -7.737  27.260   6.073
  439   1HG   LYS  55          1HG       LYS  55  -8.867  28.924   7.502
  440   2HG   LYS  55          2HG       LYS  55  -7.315  29.363   8.253
  441   1HD   LYS  55          1HD       LYS  55  -7.779  29.550   5.248
  442   2HD   LYS  55          2HD       LYS  55  -8.177  30.887   6.354
  443   1HE   LYS  55          1HE       LYS  55  -5.809  30.828   7.201
  444   2HE   LYS  55          2HE       LYS  55  -5.434  29.603   5.969
  445   1HZ   LYS  55          2HZ       LYS  55  -6.072  31.182   4.296
  446   2HZ   LYS  55          1HZ       LYS  55  -6.413  32.320   5.439
  447   3HZ   LYS  55          3HZ       LYS  55  -4.862  31.792   5.238
  448    H    VAL  56           H        VAL  56  -8.971  27.783   9.819
  449    HA   VAL  56           HA       VAL  56 -11.417  26.390   8.845
  450    HB   VAL  56           HB       VAL  56 -10.577  26.754  11.760
  451   1HG1  VAL  56          1HG1      VAL  56 -13.038  25.494  10.464
  452   2HG1  VAL  56          3HG1      VAL  56 -12.635  25.386  12.195
  453   3HG1  VAL  56          2HG1      VAL  56 -13.004  26.966  11.465
  454   1HG2  VAL  56          1HG2      VAL  56 -10.781  24.283   9.980
  455   2HG2  VAL  56          3HG2      VAL  56  -9.307  24.938  10.735
  456   3HG2  VAL  56          2HG2      VAL  56 -10.586  24.232  11.748
   
  No H/Q in entry =         456
  Start of MODEL           8
 Raw file had  466 H/Q atoms
  Start of MODEL    8
    1   1H    MET   1          2H        MET   1   3.397  18.881  -1.763
    2   2H    MET   1          1H        MET   1   2.299  17.770  -2.295
    3   3H    MET   1          3H        MET   1   2.384  19.256  -3.012
    4    HA   MET   1           HA       MET   1   0.485  19.171  -1.621
    5   1HB   MET   1          1HB       MET   1   1.539  17.389  -0.124
    6   2HB   MET   1          2HB       MET   1   2.408  18.704   0.694
    7   1HG   MET   1          1HG       MET   1  -0.600  18.783   0.317
    8   2HG   MET   1          2HG       MET   1   0.131  17.907   1.671
    9   1HE   MET   1          2HE       MET   1  -2.046  20.188   1.980
   10   2HE   MET   1          3HE       MET   1  -1.329  19.298   3.345
   11   3HE   MET   1          1HE       MET   1  -1.389  21.077   3.375
   12    H    ALA   2           H        ALA   2   3.534  20.334  -0.039
   13    HA   ALA   2           HA       ALA   2   3.008  23.077  -0.846
   14   1HB   ALA   2          2HB       ALA   2   2.706  22.274   2.082
   15   2HB   ALA   2          3HB       ALA   2   2.770  23.945   1.473
   16   3HB   ALA   2          1HB       ALA   2   1.413  22.888   1.024
   17    H    THR   3           H        THR   3   5.131  21.806  -1.629
   18    HA   THR   3           HA       THR   3   7.308  22.589   0.277
   19    HB   THR   3           HB       THR   3   8.654  20.762  -0.814
   20    HG1  THR   3           HG1      THR   3   6.116  20.279  -2.001
   21   1HG2  THR   3          3HG2      THR   3   7.508  20.433   1.382
   22   2HG2  THR   3          2HG2      THR   3   6.056  19.853   0.530
   23   3HG2  THR   3          1HG2      THR   3   7.571  18.926   0.439
   24    H    ILE   4           H        ILE   4   9.451  22.571  -1.099
   25    HA   ILE   4           HA       ILE   4   9.410  24.751  -2.872
   26    HB   ILE   4           HB       ILE   4  11.715  23.942  -3.431
   27   1HG1  ILE   4          2HG1      ILE   4  11.050  21.612  -1.587
   28   2HG1  ILE   4          1HG1      ILE   4  11.212  21.496  -3.352
   29   1HG2  ILE   4          2HG2      ILE   4  11.050  25.245  -1.303
   30   2HG2  ILE   4          1HG2      ILE   4  11.232  23.693  -0.451
   31   3HG2  ILE   4          3HG2      ILE   4  12.624  24.420  -1.286
   32   1HD1  ILE   4          1HD1      ILE   4  13.551  22.434  -3.122
   33   2HD1  ILE   4          2HD1      ILE   4  13.370  22.286  -1.358
   34   3HD1  ILE   4          3HD1      ILE   4  13.323  20.832  -2.382
   35    H    LYS   5           H        LYS   5   8.759  21.348  -3.338
   36    HA   LYS   5           HA       LYS   5   9.249  21.139  -6.139
   37   1HB   LYS   5          1HB       LYS   5   7.237  19.647  -4.397
   38   2HB   LYS   5          2HB       LYS   5   7.923  19.105  -5.931
   39   1HG   LYS   5          1HG       LYS   5  10.233  19.307  -4.796
   40   2HG   LYS   5          2HG       LYS   5   9.345  19.508  -3.267
   41   1HD   LYS   5          2HD       LYS   5   9.754  17.196  -3.322
   42   2HD   LYS   5          1HD       LYS   5   8.101  17.311  -3.969
   43   1HE   LYS   5          2HE       LYS   5   8.958  17.168  -6.267
   44   2HE   LYS   5          1HE       LYS   5  10.632  17.196  -5.673
   45   1HZ   LYS   5          3HZ       LYS   5   8.651  15.102  -5.102
   46   2HZ   LYS   5          2HZ       LYS   5   9.900  14.984  -6.176
   47   3HZ   LYS   5          1HZ       LYS   5  10.208  15.129  -4.562
   48    H    ASP   6           H        ASP   6   6.156  21.319  -4.359
   49    HA   ASP   6           HA       ASP   6   4.420  21.798  -6.472
   50   1HB   ASP   6          1HB       ASP   6   4.270  23.070  -3.707
   51   2HB   ASP   6          2HB       ASP   6   2.914  22.721  -4.799
   52    H    VAL   7           H        VAL   7   6.186  24.246  -4.486
   53    HA   VAL   7           HA       VAL   7   5.168  26.546  -5.781
   54    HB   VAL   7           HB       VAL   7   7.806  25.992  -4.361
   55   1HG1  VAL   7          3HG1      VAL   7   6.593  28.637  -5.288
   56   2HG1  VAL   7          1HG1      VAL   7   7.973  28.483  -4.176
   57   3HG1  VAL   7          2HG1      VAL   7   8.122  27.919  -5.850
   58   1HG2  VAL   7          3HG2      VAL   7   5.720  25.796  -3.009
   59   2HG2  VAL   7          1HG2      VAL   7   6.709  27.186  -2.505
   60   3HG2  VAL   7          2HG2      VAL   7   5.258  27.440  -3.505
   61    H    ALA   8           H        ALA   8   8.223  24.716  -6.406
   62    HA   ALA   8           HA       ALA   8   9.187  26.311  -8.508
   63   1HB   ALA   8          2HB       ALA   8   9.441  23.334  -7.942
   64   2HB   ALA   8          3HB       ALA   8  10.360  24.182  -9.201
   65   3HB   ALA   8          1HB       ALA   8  10.576  24.627  -7.496
   66    H    LYS   9           H        LYS   9   7.212  23.299  -8.722
   67    HA   LYS   9           HA       LYS   9   6.976  23.304 -11.538
   68   1HB   LYS   9          1HB       LYS   9   5.225  22.174  -9.327
   69   2HB   LYS   9          2HB       LYS   9   4.949  21.856 -11.058
   70   1HG   LYS   9          1HG       LYS   9   7.106  20.803 -11.304
   71   2HG   LYS   9          2HG       LYS   9   7.639  21.367  -9.704
   72   1HD   LYS   9          1HD       LYS   9   7.030  19.000  -9.564
   73   2HD   LYS   9          2HD       LYS   9   5.852  19.965  -8.643
   74   1HE   LYS   9          2HE       LYS   9   4.252  19.859 -10.492
   75   2HE   LYS   9          1HE       LYS   9   5.444  19.039 -11.523
   76   1HZ   LYS   9          1HZ       LYS   9   5.415  17.209  -9.988
   77   2HZ   LYS   9          2HZ       LYS   9   4.307  17.973  -9.034
   78   3HZ   LYS   9          3HZ       LYS   9   3.898  17.505 -10.561
   79    H    ARG  10           H        ARG  10   4.968  24.902  -9.005
   80    HA   ARG  10           HA       ARG  10   2.933  25.807 -10.793
   81   1HB   ARG  10          1HB       ARG  10   2.641  25.809  -8.356
   82   2HB   ARG  10          2HB       ARG  10   3.965  26.979  -8.174
   83   1HG   ARG  10          2HG       ARG  10   1.729  28.070  -8.053
   84   2HG   ARG  10          1HG       ARG  10   2.687  28.674  -9.422
   85   1HD   ARG  10          1HD       ARG  10   1.435  27.366 -10.997
   86   2HD   ARG  10          2HD       ARG  10   0.673  26.407  -9.713
   87    HE   ARG  10           HE       ARG  10  -0.056  29.117 -10.613
   88   1HH1  ARG  10          2HH1      ARG  10  -0.365  26.652  -8.076
   89   2HH1  ARG  10          1HH1      ARG  10  -1.904  27.245  -7.504
   90   1HH2  ARG  10          1HH2      ARG  10  -2.044  29.940  -9.787
   91   2HH2  ARG  10          2HH2      ARG  10  -2.827  29.157  -8.433
   92    H    ALA  11           H        ALA  11   6.139  27.075  -9.845
   93    HA   ALA  11           HA       ALA  11   5.816  29.512 -11.444
   94   1HB   ALA  11          3HB       ALA  11   7.132  29.469  -9.333
   95   2HB   ALA  11          2HB       ALA  11   8.265  28.316 -10.078
   96   3HB   ALA  11          1HB       ALA  11   8.120  29.966 -10.728
   97    H    ASN  12           H        ASN  12   6.010  26.406 -12.383
   98    HA   ASN  12           HA       ASN  12   6.423  25.455 -14.400
   99   1HB   ASN  12          1HB       ASN  12   6.320  26.809 -16.166
  100   2HB   ASN  12          2HB       ASN  12   6.428  28.184 -15.057
  101   1HD2  ASN  12          1HD2      ASN  12   9.741  26.980 -17.256
  102   2HD2  ASN  12          2HD2      ASN  12   8.440  25.855 -16.931
  103    H    VAL  13           H        VAL  13   9.141  27.244 -12.898
  104    HA   VAL  13           HA       VAL  13  11.124  25.598 -14.250
  105    HB   VAL  13           HB       VAL  13  12.071  26.976 -11.828
  106   1HG1  VAL  13          2HG1      VAL  13  12.631  27.210 -14.821
  107   2HG1  VAL  13          1HG1      VAL  13  13.594  27.990 -13.548
  108   3HG1  VAL  13          3HG1      VAL  13  13.532  26.216 -13.652
  109   1HG2  VAL  13          2HG2      VAL  13  10.563  28.575 -13.942
  110   2HG2  VAL  13          1HG2      VAL  13  10.263  28.550 -12.185
  111   3HG2  VAL  13          3HG2      VAL  13  11.750  29.279 -12.824
  112    H    SER  14           H        SER  14  12.943  24.882 -12.328
  113    HA   SER  14           HA       SER  14  11.520  22.671 -10.955
  114   1HB   SER  14          1HB       SER  14  13.310  22.199 -12.689
  115   2HB   SER  14          2HB       SER  14  14.485  22.940 -11.577
  116    HG   SER  14           HG       SER  14  12.859  20.652 -11.149
  117    H    THR  15           H        THR  15  13.039  21.879  -9.002
  118    HA   THR  15           HA       THR  15  12.567  23.690  -6.898
  119    HB   THR  15           HB       THR  15  14.098  22.084  -5.620
  120    HG1  THR  15           HG1      THR  15  14.688  20.239  -6.818
  121   1HG2  THR  15          3HG2      THR  15  11.637  21.793  -5.809
  122   2HG2  THR  15          1HG2      THR  15  11.863  20.902  -7.331
  123   3HG2  THR  15          2HG2      THR  15  12.482  20.227  -5.805
  124    H    THR  16           H        THR  16  15.420  23.322  -8.986
  125    HA   THR  16           HA       THR  16  17.380  24.482  -7.356
  126    HB   THR  16           HB       THR  16  17.787  23.422  -9.563
  127    HG1  THR  16           HG1      THR  16  19.348  24.955 -10.195
  128   1HG2  THR  16          3HG2      THR  16  15.813  24.604 -10.699
  129   2HG2  THR  16          1HG2      THR  16  16.845  26.049 -10.785
  130   3HG2  THR  16          2HG2      THR  16  17.327  24.559 -11.628
  131    H    THR  17           H        THR  17  14.814  26.075  -9.296
  132    HA   THR  17           HA       THR  17  15.850  28.724  -8.959
  133    HB   THR  17           HB       THR  17  13.011  27.737  -9.497
  134    HG1  THR  17           HG1      THR  17  13.714  28.287 -11.666
  135   1HG2  THR  17          1HG2      THR  17  14.355  30.453  -9.872
  136   2HG2  THR  17          3HG2      THR  17  12.764  30.015 -10.539
  137   3HG2  THR  17          2HG2      THR  17  13.002  30.078  -8.779
  138    H    VAL  18           H        VAL  18  13.651  26.657  -7.029
  139    HA   VAL  18           HA       VAL  18  12.893  28.810  -5.247
  140    HB   VAL  18           HB       VAL  18  12.684  25.784  -4.956
  141   1HG1  VAL  18          3HG1      VAL  18  11.508  28.116  -3.383
  142   2HG1  VAL  18          2HG1      VAL  18  10.867  26.461  -3.299
  143   3HG1  VAL  18          1HG1      VAL  18  12.527  26.794  -2.764
  144   1HG2  VAL  18          1HG2      VAL  18  10.701  27.920  -5.868
  145   2HG2  VAL  18          3HG2      VAL  18  11.440  26.670  -6.896
  146   3HG2  VAL  18          2HG2      VAL  18  10.311  26.206  -5.605
  147    H    SER  19           H        SER  19  15.354  26.166  -5.180
  148    HA   SER  19           HA       SER  19  16.223  26.632  -2.517
  149   1HB   SER  19          2HB       SER  19  18.240  25.435  -3.160
  150   2HB   SER  19          1HB       SER  19  16.832  24.649  -3.913
  151    HG   SER  19           HG       SER  19  18.583  24.975  -5.372
  152    H    HIS  20           H        HIS  20  17.154  28.114  -5.659
  153    HA   HIS  20           HA       HIS  20  19.265  29.757  -4.756
  154   1HB   HIS  20          1HB       HIS  20  17.138  30.232  -6.883
  155   2HB   HIS  20          2HB       HIS  20  18.564  31.250  -6.656
  156    HD1  HIS  20           HD1      HIS  20  18.539  30.143  -9.369
  157    HD2  HIS  20           HD2      HIS  20  19.946  27.891  -6.159
  158    HE1  HIS  20           HE1      HIS  20  20.054  28.332 -10.311
  159    H    VAL  21           H        VAL  21  15.737  30.126  -4.516
  160    HA   VAL  21           HA       VAL  21  15.823  32.896  -3.708
  161    HB   VAL  21           HB       VAL  21  13.657  30.759  -3.464
  162   1HG1  VAL  21          1HG1      VAL  21  13.603  33.759  -2.995
  163   2HG1  VAL  21          3HG1      VAL  21  12.140  32.784  -3.265
  164   3HG1  VAL  21          2HG1      VAL  21  13.167  32.471  -1.851
  165   1HG2  VAL  21          2HG2      VAL  21  14.687  31.938  -5.744
  166   2HG2  VAL  21          3HG2      VAL  21  13.049  31.271  -5.587
  167   3HG2  VAL  21          1HG2      VAL  21  13.326  33.006  -5.341
  168    H    ILE  22           H        ILE  22  15.076  29.852  -1.886
  169    HA   ILE  22           HA       ILE  22  14.871  31.089   0.639
  170    HB   ILE  22           HB       ILE  22  15.849  28.269   0.018
  171   1HG1  ILE  22          2HG1      ILE  22  13.720  28.589  -1.103
  172   2HG1  ILE  22          1HG1      ILE  22  13.423  27.654   0.373
  173   1HG2  ILE  22          3HG2      ILE  22  14.742  29.641   2.493
  174   2HG2  ILE  22          1HG2      ILE  22  14.689  27.873   2.293
  175   3HG2  ILE  22          2HG2      ILE  22  16.253  28.718   2.319
  176   1HD1  ILE  22          2HD1      ILE  22  12.812  29.851   1.518
  177   2HD1  ILE  22          3HD1      ILE  22  12.881  30.615  -0.087
  178   3HD1  ILE  22          1HD1      ILE  22  11.699  29.330   0.234
  179    H    ASN  23           H        ASN  23  17.748  29.563  -0.926
  180    HA   ASN  23           HA       ASN  23  19.475  30.210   1.311
  181   1HB   ASN  23          2HB       ASN  23  19.991  29.297  -1.544
  182   2HB   ASN  23          1HB       ASN  23  21.283  29.574  -0.357
  183   1HD2  ASN  23          1HD2      ASN  23  18.825  26.265  -0.068
  184   2HD2  ASN  23          2HD2      ASN  23  18.466  27.569  -1.182
  185    H    LYS  24           H        LYS  24  18.462  31.853  -1.665
  186    HA   LYS  24           HA       LYS  24  18.969  33.911  -2.527
  187   1HB   LYS  24          2HB       LYS  24  18.222  34.465  -0.121
  188   2HB   LYS  24          1HB       LYS  24  19.948  34.673   0.247
  189   1HG   LYS  24          1HG       LYS  24  20.156  36.426  -1.435
  190   2HG   LYS  24          2HG       LYS  24  18.507  36.114  -2.024
  191   1HD   LYS  24          2HD       LYS  24  18.495  38.092  -0.585
  192   2HD   LYS  24          1HD       LYS  24  17.610  36.773   0.218
  193   1HE   LYS  24          1HE       LYS  24  19.506  36.281   1.651
  194   2HE   LYS  24          2HE       LYS  24  20.555  37.386   0.733
  195   1HZ   LYS  24          2HZ       LYS  24  18.200  38.171   2.307
  196   2HZ   LYS  24          1HZ       LYS  24  19.774  38.366   2.762
  197   3HZ   LYS  24          3HZ       LYS  24  19.183  39.193   1.464
  198    H    THR  25           H        THR  25  20.782  32.134  -3.245
  199    HA   THR  25           HA       THR  25  23.463  33.279  -2.588
  200    HB   THR  25           HB       THR  25  23.098  30.885  -2.017
  201    HG1  THR  25           HG1      THR  25  24.895  31.430  -4.148
  202   1HG2  THR  25          3HG2      THR  25  21.504  30.430  -3.957
  203   2HG2  THR  25          1HG2      THR  25  22.929  30.400  -5.021
  204   3HG2  THR  25          2HG2      THR  25  22.771  29.211  -3.713
  205    H    ARG  26           H        ARG  26  21.382  32.164  -5.317
  206    HA   ARG  26           HA       ARG  26  23.348  33.144  -7.260
  207   1HB   ARG  26          2HB       ARG  26  22.131  31.079  -7.734
  208   2HB   ARG  26          1HB       ARG  26  20.578  31.913  -7.548
  209   1HG   ARG  26          1HG       ARG  26  21.117  31.666  -9.932
  210   2HG   ARG  26          2HG       ARG  26  21.152  33.386  -9.487
  211   1HD   ARG  26          1HD       ARG  26  23.570  33.387  -9.391
  212   2HD   ARG  26          2HD       ARG  26  23.631  31.616  -9.547
  213    HE   ARG  26           HE       ARG  26  22.260  32.691 -11.798
  214   1HH1  ARG  26          1HH2      ARG  26  25.490  32.560 -10.353
  215   2HH1  ARG  26          2HH2      ARG  26  26.330  32.706 -11.881
  216   1HH2  ARG  26          1HH1      ARG  26  23.372  32.900 -13.812
  217   2HH2  ARG  26          2HH1      ARG  26  25.121  32.891 -13.855
  218    H    PHE  27           H        PHE  27  23.501  35.298  -7.522
  219    HA   PHE  27           HA       PHE  27  21.446  37.154  -6.846
  220   1HB   PHE  27          1HB       PHE  27  23.875  37.657  -6.921
  221   2HB   PHE  27          2HB       PHE  27  23.850  37.480  -8.684
  222    HD1  PHE  27           HD2      PHE  27  22.796  39.585  -5.823
  223    HD2  PHE  27           HD1      PHE  27  22.870  39.199 -10.115
  224    HE1  PHE  27           HE2      PHE  27  22.159  41.976  -6.053
  225    HE2  PHE  27           HE1      PHE  27  22.235  41.590 -10.340
  226    HZ   PHE  27           HZ       PHE  27  21.879  42.979  -8.310
  227    H    VAL  28           H        VAL  28  20.013  38.325  -8.109
  228    HA   VAL  28           HA       VAL  28  19.778  37.739 -10.992
  229    HB   VAL  28           HB       VAL  28  17.269  37.288 -10.587
  230   1HG1  VAL  28          2HG1      VAL  28  18.971  35.546 -11.235
  231   2HG1  VAL  28          3HG1      VAL  28  19.203  35.194  -9.509
  232   3HG1  VAL  28          1HG1      VAL  28  17.623  34.909 -10.269
  233   1HG2  VAL  28          3HG2      VAL  28  17.524  38.065  -8.119
  234   2HG2  VAL  28          1HG2      VAL  28  16.543  36.625  -8.441
  235   3HG2  VAL  28          2HG2      VAL  28  18.197  36.444  -7.821
  236    H    ALA  29           H        ALA  29  17.390  38.999 -11.516
  237    HA   ALA  29           HA       ALA  29  18.074  41.783 -10.896
  238   1HB   ALA  29          1HB       ALA  29  17.490  41.042 -13.194
  239   2HB   ALA  29          3HB       ALA  29  15.865  40.594 -12.626
  240   3HB   ALA  29          2HB       ALA  29  16.380  42.297 -12.594
  241    H    GLU  30           H        GLU  30  16.994  40.004  -8.710
  242    HA   GLU  30           HA       GLU  30  15.705  40.347  -6.855
  243   1HB   GLU  30          1HB       GLU  30  16.011  42.884  -7.788
  244   2HB   GLU  30          2HB       GLU  30  14.251  42.737  -7.904
  245   1HG   GLU  30          1HG       GLU  30  15.924  42.180  -5.416
  246   2HG   GLU  30          2HG       GLU  30  14.914  43.615  -5.696
  247    H    GLU  31           H        GLU  31  13.673  41.566  -9.555
  248    HA   GLU  31           HA       GLU  31  11.200  40.775  -8.716
  249   1HB   GLU  31          1HB       GLU  31  12.272  41.761 -11.060
  250   2HB   GLU  31          2HB       GLU  31  11.647  40.178 -11.579
  251   1HG   GLU  31          1HG       GLU  31  10.098  42.361 -10.119
  252   2HG   GLU  31          2HG       GLU  31   9.901  41.882 -11.816
  253    H    THR  32           H        THR  32  13.512  38.671 -10.498
  254    HA   THR  32           HA       THR  32  11.929  36.415 -10.857
  255    HB   THR  32           HB       THR  32  14.847  36.319 -10.013
  256    HG1  THR  32           HG1      THR  32  15.186  36.696 -12.303
  257   1HG2  THR  32          2HG2      THR  32  13.169  34.716 -11.997
  258   2HG2  THR  32          1HG2      THR  32  14.903  34.475 -11.676
  259   3HG2  THR  32          3HG2      THR  32  13.709  34.153 -10.398
  260    H    ARG  33           H        ARG  33  13.680  37.439  -7.898
  261    HA   ARG  33           HA       ARG  33  12.949  34.997  -6.454
  262   1HB   ARG  33          1HB       ARG  33  14.683  37.377  -6.059
  263   2HB   ARG  33          2HB       ARG  33  13.893  36.792  -4.581
  264   1HG   ARG  33          2HG       ARG  33  16.199  35.781  -5.183
  265   2HG   ARG  33          1HG       ARG  33  14.901  34.655  -4.739
  266   1HD   ARG  33          1HD       ARG  33  14.689  33.828  -6.887
  267   2HD   ARG  33          2HD       ARG  33  15.168  35.351  -7.640
  268    HE   ARG  33           HE       ARG  33  17.452  34.420  -6.344
  269   1HH1  ARG  33          2HH1      ARG  33  15.185  32.950  -8.624
  270   2HH1  ARG  33          1HH1      ARG  33  16.427  32.180  -9.577
  271   1HH2  ARG  33          1HH2      ARG  33  19.107  33.577  -7.736
  272   2HH2  ARG  33          2HH2      ARG  33  18.661  32.472  -9.021
  273    H    ASN  34           H        ASN  34  11.998  38.456  -6.499
  274    HA   ASN  34           HA       ASN  34  10.229  38.451  -4.315
  275   1HB   ASN  34          1HB       ASN  34  10.841  40.500  -5.407
  276   2HB   ASN  34          2HB       ASN  34  10.205  39.935  -6.963
  277   1HD2  ASN  34          1HD2      ASN  34   7.064  41.349  -6.407
  278   2HD2  ASN  34          2HD2      ASN  34   8.318  40.841  -7.527
  279    H    ALA  35           H        ALA  35   9.665  37.509  -7.739
  280    HA   ALA  35           HA       ALA  35   6.887  37.068  -7.596
  281   1HB   ALA  35          1HB       ALA  35   9.016  35.619  -9.227
  282   2HB   ALA  35          2HB       ALA  35   7.266  35.599  -9.557
  283   3HB   ALA  35          3HB       ALA  35   8.180  37.120  -9.690
  284    H    VAL  36           H        VAL  36   9.618  34.765  -7.001
  285    HA   VAL  36           HA       VAL  36   7.951  32.537  -6.392
  286    HB   VAL  36           HB       VAL  36  10.805  33.215  -5.558
  287   1HG1  VAL  36          3HG1      VAL  36   9.140  30.679  -5.276
  288   2HG1  VAL  36          2HG1      VAL  36  10.917  30.673  -5.232
  289   3HG1  VAL  36          1HG1      VAL  36  10.004  31.566  -3.997
  290   1HG2  VAL  36          1HG2      VAL  36  10.403  32.997  -8.008
  291   2HG2  VAL  36          3HG2      VAL  36  11.391  31.657  -7.384
  292   3HG2  VAL  36          2HG2      VAL  36   9.665  31.402  -7.735
  293    H    TRP  37           H        TRP  37   9.568  34.974  -4.245
  294    HA   TRP  37           HA       TRP  37   8.698  33.937  -1.786
  295   1HB   TRP  37          2HB       TRP  37   9.302  36.729  -2.769
  296   2HB   TRP  37          1HB       TRP  37   8.742  36.453  -1.113
  297    HD1  TRP  37           HD1      TRP  37  11.789  37.060  -2.754
  298    HE1  TRP  37           HE1      TRP  37  13.856  36.064  -1.583
  299    HE3  TRP  37           HE3      TRP  37   9.434  33.708   0.328
  300    HZ2  TRP  37           HZ2      TRP  37  14.402  34.081   0.409
  301    HZ3  TRP  37           HZ3      TRP  37  10.776  32.282   1.849
  302    HH2  TRP  37           HH2      TRP  37  13.251  32.458   1.884
  303    H    ALA  38           H        ALA  38   6.983  36.076  -4.107
  304    HA   ALA  38           HA       ALA  38   4.695  36.499  -2.430
  305   1HB   ALA  38          3HB       ALA  38   5.258  37.920  -4.380
  306   2HB   ALA  38          2HB       ALA  38   4.948  36.547  -5.467
  307   3HB   ALA  38          1HB       ALA  38   3.617  37.245  -4.516
  308    H    ALA  39           H        ALA  39   5.434  34.140  -5.062
  309    HA   ALA  39           HA       ALA  39   2.967  32.815  -5.154
  310   1HB   ALA  39          3HB       ALA  39   4.878  32.495  -6.728
  311   2HB   ALA  39          1HB       ALA  39   5.732  31.578  -5.463
  312   3HB   ALA  39          2HB       ALA  39   4.206  30.958  -6.133
  313    H    ILE  40           H        ILE  40   5.719  32.331  -2.892
  314    HA   ILE  40           HA       ILE  40   4.877  29.958  -1.649
  315    HB   ILE  40           HB       ILE  40   6.625  32.276  -0.973
  316   1HG1  ILE  40          2HG1      ILE  40   8.008  30.242  -0.099
  317   2HG1  ILE  40          1HG1      ILE  40   6.767  29.249  -0.889
  318   1HG2  ILE  40          3HG2      ILE  40   5.434  30.518   1.214
  319   2HG2  ILE  40          2HG2      ILE  40   6.901  31.501   1.408
  320   3HG2  ILE  40          1HG2      ILE  40   5.343  32.291   1.092
  321   1HD1  ILE  40          1HD1      ILE  40   8.427  31.419  -2.230
  322   2HD1  ILE  40          2HD1      ILE  40   8.694  29.669  -2.384
  323   3HD1  ILE  40          3HD1      ILE  40   7.206  30.400  -3.029
  324    H    LYS  41           H        LYS  41   3.799  33.334  -1.100
  325    HA   LYS  41           HA       LYS  41   2.117  32.519   1.163
  326   1HB   LYS  41          2HB       LYS  41   3.286  34.641   1.305
  327   2HB   LYS  41          1HB       LYS  41   2.640  35.163  -0.265
  328   1HG   LYS  41          2HG       LYS  41   1.411  36.243   1.575
  329   2HG   LYS  41          1HG       LYS  41   0.336  35.152   0.678
  330   1HD   LYS  41          2HD       LYS  41   0.559  33.433   2.400
  331   2HD   LYS  41          1HD       LYS  41   1.796  34.392   3.249
  332   1HE   LYS  41          1HE       LYS  41   0.152  36.165   3.691
  333   2HE   LYS  41          2HE       LYS  41  -1.082  35.283   2.762
  334   1HZ   LYS  41          3HZ       LYS  41  -0.925  33.513   4.360
  335   2HZ   LYS  41          2HZ       LYS  41   0.213  34.338   5.226
  336   3HZ   LYS  41          1HZ       LYS  41  -1.321  34.930   5.102
  337    H    GLU  42           H        GLU  42   1.741  33.563  -2.248
  338    HA   GLU  42           HA       GLU  42  -1.076  33.879  -2.200
  339   1HB   GLU  42          2HB       GLU  42   0.886  33.200  -4.420
  340   2HB   GLU  42          1HB       GLU  42  -0.842  33.498  -4.712
  341   1HG   GLU  42          2HG       GLU  42   0.984  35.467  -3.266
  342   2HG   GLU  42          1HG       GLU  42   0.660  35.529  -5.010
  343    H    LEU  43           H        LEU  43   0.949  31.072  -3.216
  344    HA   LEU  43           HA       LEU  43  -1.436  29.389  -3.418
  345   1HB   LEU  43          2HB       LEU  43   0.390  29.154  -5.045
  346   2HB   LEU  43          1HB       LEU  43   1.541  28.800  -3.740
  347    HG   LEU  43           HG       LEU  43   0.243  26.760  -3.154
  348   1HD1  LEU  43          2HD1      LEU  43  -1.505  27.723  -5.450
  349   2HD1  LEU  43          3HD1      LEU  43  -1.495  26.027  -4.912
  350   3HD1  LEU  43          1HD1      LEU  43  -1.998  27.311  -3.792
  351   1HD2  LEU  43          2HD2      LEU  43   2.096  26.635  -4.797
  352   2HD2  LEU  43          3HD2      LEU  43   0.819  25.450  -5.160
  353   3HD2  LEU  43          1HD2      LEU  43   0.941  26.947  -6.113
  354    H    HIS  44           H        HIS  44   1.663  28.543  -1.850
  355    HA   HIS  44           HA       HIS  44   1.203  28.642   0.809
  356   1HB   HIS  44          2HB       HIS  44   0.375  26.284   1.357
  357   2HB   HIS  44          1HB       HIS  44  -0.847  27.453   0.851
  358    HD1  HIS  44           HD1      HIS  44  -2.451  26.623  -0.886
  359    HD2  HIS  44           HD2      HIS  44   1.185  24.556  -1.005
  360    HE1  HIS  44           HE1      HIS  44  -2.665  24.781  -2.628
  361    H    TYR  45           H        TYR  45   2.848  27.619   1.936
  362    HA   TYR  45           HA       TYR  45   4.405  25.462   0.773
  363   1HB   TYR  45          2HB       TYR  45   5.384  27.175  -0.557
  364   2HB   TYR  45          1HB       TYR  45   5.417  28.314   0.795
  365    HD1  TYR  45           HD1      TYR  45   6.780  24.868  -0.025
  366    HD2  TYR  45           HD2      TYR  45   7.481  28.742   1.741
  367    HE1  TYR  45           HE1      TYR  45   9.118  24.218   0.503
  368    HE2  TYR  45           HE2      TYR  45   9.820  28.089   2.238
  369    HH   TYR  45           HH       TYR  45  11.106  24.848   1.450
  370    H    SER  46           H        SER  46   5.789  24.524   2.335
  371    HA   SER  46           HA       SER  46   5.465  25.635   5.096
  372   1HB   SER  46          1HB       SER  46   4.179  23.577   4.742
  373   2HB   SER  46          2HB       SER  46   5.634  22.750   4.140
  374    HG   SER  46           HG       SER  46   6.565  22.990   6.161
  375    HA   PRO  47           HA       PRO  47   9.978  25.690   4.178
  376   1HB   PRO  47          1HB       PRO  47  10.315  27.704   6.204
  377   2HB   PRO  47          2HB       PRO  47  10.418  27.906   4.434
  378   1HG   PRO  47          1HG       PRO  47   8.314  28.797   6.227
  379   2HG   PRO  47          2HG       PRO  47   8.446  29.049   4.464
  380   1HD   PRO  47          2HD       PRO  47   6.693  27.237   5.894
  381   2HD   PRO  47          1HD       PRO  47   6.804  27.514   4.134
  382    H    SER  48           H        SER  48   8.544  26.255   7.445
  383    HA   SER  48           HA       SER  48   9.634  23.767   8.465
  384   1HB   SER  48          2HB       SER  48  11.668  25.153   8.557
  385   2HB   SER  48          1HB       SER  48  10.776  26.432   9.419
  386    HG   SER  48           HG       SER  48  11.973  25.006  10.807
  387    H    ALA  49           H        ALA  49   8.735  23.238  10.508
  388    HA   ALA  49           HA       ALA  49   6.187  24.488  11.039
  389   1HB   ALA  49          2HB       ALA  49   7.794  22.420  12.599
  390   2HB   ALA  49          1HB       ALA  49   6.086  22.836  12.882
  391   3HB   ALA  49          3HB       ALA  49   6.574  22.076  11.349
  392    H    VAL  50           H        VAL  50   9.400  24.434  12.626
  393    HA   VAL  50           HA       VAL  50  10.391  25.827  14.129
  394    HB   VAL  50           HB       VAL  50   8.044  27.723  13.670
  395   1HG1  VAL  50          1HG1      VAL  50  10.856  28.082  14.783
  396   2HG1  VAL  50          3HG1      VAL  50   9.795  29.429  14.312
  397   3HG1  VAL  50          2HG1      VAL  50   9.317  28.346  15.638
  398   1HG2  VAL  50          1HG2      VAL  50  10.720  27.423  12.236
  399   2HG2  VAL  50          3HG2      VAL  50   9.104  27.188  11.530
  400   3HG2  VAL  50          2HG2      VAL  50   9.621  28.810  12.041
  401    H    ALA  51           H        ALA  51  10.398  26.262  16.375
  402    HA   ALA  51           HA       ALA  51   8.421  24.736  17.872
  403   1HB   ALA  51          2HB       ALA  51  10.795  26.437  18.754
  404   2HB   ALA  51          3HB       ALA  51   9.856  25.348  19.802
  405   3HB   ALA  51          1HB       ALA  51  10.812  24.682  18.458
  406    H    ARG  52           H        ARG  52   6.612  26.180  17.047
  407    HA   ARG  52           HA       ARG  52   6.441  28.881  18.135
  408   1HB   ARG  52          1HB       ARG  52   4.388  27.066  16.793
  409   2HB   ARG  52          2HB       ARG  52   4.143  28.789  17.169
  410   1HG   ARG  52          2HG       ARG  52   6.008  29.418  15.709
  411   2HG   ARG  52          1HG       ARG  52   6.387  27.707  15.410
  412   1HD   ARG  52          1HD       ARG  52   3.927  27.527  14.572
  413   2HD   ARG  52          2HD       ARG  52   3.984  29.299  14.470
  414    HE   ARG  52           HE       ARG  52   5.381  27.348  12.771
  415   1HH1  ARG  52          1HH2      ARG  52   5.260  30.715  13.901
  416   2HH1  ARG  52          2HH2      ARG  52   6.085  31.351  12.500
  417   1HH2  ARG  52          2HH1      ARG  52   6.514  28.193  10.961
  418   2HH2  ARG  52          1HH1      ARG  52   6.808  29.912  10.826
  419    H    SER  53           H        SER  53   7.008  27.793  20.357
  420    HA   SER  53           HA       SER  53   4.701  26.612  21.734
  421   1HB   SER  53          1HB       SER  53   6.281  26.566  23.661
  422   2HB   SER  53          2HB       SER  53   6.977  25.812  22.209
  423    HG   SER  53           HG       SER  53   8.149  27.677  21.834
  424    H    LEU  54           H        LEU  54   4.576  27.689  24.168
  425    HA   LEU  54           HA       LEU  54   3.645  29.397  25.362
  426   1HB   LEU  54          2HB       LEU  54   6.023  30.246  24.977
  427   2HB   LEU  54          1HB       LEU  54   5.371  31.237  23.655
  428    HG   LEU  54           HG       LEU  54   3.646  32.070  25.462
  429   1HD1  LEU  54          1HD1      LEU  54   5.929  31.021  27.198
  430   2HD1  LEU  54          3HD1      LEU  54   4.606  32.070  27.759
  431   3HD1  LEU  54          2HD1      LEU  54   4.254  30.419  27.199
  432   1HD2  LEU  54          2HD2      LEU  54   6.596  32.838  25.560
  433   2HD2  LEU  54          1HD2      LEU  54   5.383  33.482  24.427
  434   3HD2  LEU  54          3HD2      LEU  54   5.251  33.833  26.167
  435    H    LYS  55           H        LYS  55   1.647  28.760  24.118
  436    HA   LYS  55           HA       LYS  55   0.786  30.439  21.922
  437   1HB   LYS  55          2HB       LYS  55  -0.482  28.338  23.699
  438   2HB   LYS  55          1HB       LYS  55  -1.503  29.360  22.664
  439   1HG   LYS  55          2HG       LYS  55  -0.987  27.367  21.408
  440   2HG   LYS  55          1HG       LYS  55  -0.049  28.698  20.695
  441   1HD   LYS  55          1HD       LYS  55   1.985  27.945  21.712
  442   2HD   LYS  55          2HD       LYS  55   1.115  26.872  22.836
  443   1HE   LYS  55          2HE       LYS  55   2.106  25.518  21.071
  444   2HE   LYS  55          1HE       LYS  55   0.340  25.515  20.873
  445   1HZ   LYS  55          1HZ       LYS  55   0.623  27.248  19.216
  446   2HZ   LYS  55          2HZ       LYS  55   2.267  27.153  19.369
  447   3HZ   LYS  55          3HZ       LYS  55   1.410  25.862  18.795
  448    H    VAL  56           H        VAL  56  -0.143  32.409  22.009
  449    HA   VAL  56           HA       VAL  56  -1.439  33.292  24.535
  450    HB   VAL  56           HB       VAL  56   0.643  34.860  22.935
  451   1HG1  VAL  56          2HG1      VAL  56  -1.078  35.615  25.342
  452   2HG1  VAL  56          3HG1      VAL  56   0.295  36.576  24.741
  453   3HG1  VAL  56          1HG1      VAL  56  -1.141  36.343  23.719
  454   1HG2  VAL  56          2HG2      VAL  56   0.643  33.700  25.759
  455   2HG2  VAL  56          1HG2      VAL  56   1.692  33.214  24.408
  456   3HG2  VAL  56          3HG2      VAL  56   1.870  34.826  25.135
   
  No H/Q in entry =         456
  Start of MODEL           9
 Raw file had  466 H/Q atoms
  Start of MODEL    9
    1   1H    MET   1          2H        MET   1  -0.914  24.116   1.506
    2   2H    MET   1          3H        MET   1  -1.895  23.480   2.671
    3   3H    MET   1          1H        MET   1  -0.327  22.975   2.550
    4    HA   MET   1           HA       MET   1  -1.712  21.299   1.675
    5   1HB   MET   1          2HB       MET   1  -2.764  23.558  -0.077
    6   2HB   MET   1          1HB       MET   1  -3.082  21.834  -0.368
    7   1HG   MET   1          2HG       MET   1  -3.924  21.758   2.070
    8   2HG   MET   1          1HG       MET   1  -3.929  23.528   2.004
    9   1HE   MET   1          3HE       MET   1  -5.513  24.976   0.554
   10   2HE   MET   1          2HE       MET   1  -4.834  24.214  -0.903
   11   3HE   MET   1          1HE       MET   1  -6.597  24.333  -0.700
   12    H    ALA   2           H        ALA   2  -0.643  23.844  -0.666
   13    HA   ALA   2           HA       ALA   2   0.644  22.011  -2.417
   14   1HB   ALA   2          1HB       ALA   2  -0.077  24.347  -2.976
   15   2HB   ALA   2          3HB       ALA   2   1.257  24.960  -1.965
   16   3HB   ALA   2          2HB       ALA   2   1.611  24.007  -3.425
   17    H    THR   3           H        THR   3   2.909  21.659  -2.784
   18    HA   THR   3           HA       THR   3   4.543  21.889  -0.291
   19    HB   THR   3           HB       THR   3   5.645  19.874  -0.949
   20    HG1  THR   3           HG1      THR   3   4.243  20.189  -3.408
   21   1HG2  THR   3          2HG2      THR   3   3.222  19.713  -0.089
   22   2HG2  THR   3          1HG2      THR   3   2.756  19.393  -1.776
   23   3HG2  THR   3          3HG2      THR   3   3.860  18.283  -0.932
   24    H    ILE   4           H        ILE   4   7.018  21.785  -0.940
   25    HA   ILE   4           HA       ILE   4   7.658  24.192  -2.254
   26    HB   ILE   4           HB       ILE   4   9.109  22.963  -0.622
   27   1HG1  ILE   4          2HG1      ILE   4  10.480  23.455  -3.305
   28   2HG1  ILE   4          1HG1      ILE   4   9.968  24.746  -2.193
   29   1HG2  ILE   4          2HG2      ILE   4   8.717  20.684  -1.703
   30   2HG2  ILE   4          3HG2      ILE   4   9.849  21.182  -2.984
   31   3HG2  ILE   4          1HG2      ILE   4  10.407  21.047  -1.300
   32   1HD1  ILE   4          2HD1      ILE   4  11.377  23.634  -0.398
   33   2HD1  ILE   4          1HD1      ILE   4  12.013  22.551  -1.659
   34   3HD1  ILE   4          3HD1      ILE   4  12.304  24.302  -1.762
   35    H    LYS   5           H        LYS   5   7.212  20.905  -3.486
   36    HA   LYS   5           HA       LYS   5   8.480  21.162  -5.998
   37   1HB   LYS   5          1HB       LYS   5   5.997  19.578  -5.215
   38   2HB   LYS   5          2HB       LYS   5   6.998  19.294  -6.648
   39   1HG   LYS   5          2HG       LYS   5   8.977  18.978  -5.061
   40   2HG   LYS   5          1HG       LYS   5   7.808  18.992  -3.719
   41   1HD   LYS   5          2HD       LYS   5   7.259  17.146  -6.040
   42   2HD   LYS   5          1HD       LYS   5   8.578  16.710  -4.931
   43   1HE   LYS   5          1HE       LYS   5   6.521  15.668  -4.151
   44   2HE   LYS   5          2HE       LYS   5   6.997  16.935  -3.001
   45   1HZ   LYS   5          3HZ       LYS   5   5.044  17.362  -5.148
   46   2HZ   LYS   5          2HZ       LYS   5   4.624  16.883  -3.627
   47   3HZ   LYS   5          1HZ       LYS   5   5.358  18.342  -3.858
   48    H    ASP   6           H        ASP   6   4.963  21.293  -5.322
   49    HA   ASP   6           HA       ASP   6   4.148  22.283  -7.813
   50   1HB   ASP   6          1HB       ASP   6   2.765  23.036  -5.223
   51   2HB   ASP   6          2HB       ASP   6   2.046  22.639  -6.797
   52    H    VAL   7           H        VAL   7   4.818  24.098  -4.776
   53    HA   VAL   7           HA       VAL   7   4.208  26.671  -5.726
   54    HB   VAL   7           HB       VAL   7   6.178  25.671  -3.629
   55   1HG1  VAL   7          1HG1      VAL   7   5.257  28.507  -4.261
   56   2HG1  VAL   7          3HG1      VAL   7   6.055  28.030  -2.747
   57   3HG1  VAL   7          2HG1      VAL   7   6.926  27.894  -4.289
   58   1HG2  VAL   7          1HG2      VAL   7   3.721  25.234  -3.301
   59   2HG2  VAL   7          2HG2      VAL   7   4.407  26.317  -2.073
   60   3HG2  VAL   7          3HG2      VAL   7   3.435  26.983  -3.403
   61    H    ALA   8           H        ALA   8   7.391  24.958  -5.716
   62    HA   ALA   8           HA       ALA   8   8.860  27.113  -6.841
   63   1HB   ALA   8          3HB       ALA   8   9.853  25.172  -5.657
   64   2HB   ALA   8          2HB       ALA   8   9.381  24.117  -7.012
   65   3HB   ALA   8          1HB       ALA   8  10.570  25.413  -7.260
   66    H    LYS   9           H        LYS   9   7.408  24.195  -8.399
   67    HA   LYS   9           HA       LYS   9   8.305  24.824 -11.018
   68   1HB   LYS   9          1HB       LYS   9   7.271  22.639  -9.983
   69   2HB   LYS   9          2HB       LYS   9   5.721  23.351 -10.494
   70   1HG   LYS   9          2HG       LYS   9   6.713  23.650 -12.801
   71   2HG   LYS   9          1HG       LYS   9   8.148  22.755 -12.245
   72   1HD   LYS   9          1HD       LYS   9   6.679  20.821 -11.654
   73   2HD   LYS   9          2HD       LYS   9   5.277  21.710 -12.295
   74   1HE   LYS   9          1HE       LYS   9   7.774  20.978 -13.895
   75   2HE   LYS   9          2HE       LYS   9   6.235  20.089 -13.946
   76   1HZ   LYS   9          1HZ       LYS   9   5.188  22.107 -14.721
   77   2HZ   LYS   9          2HZ       LYS   9   6.637  22.897 -14.718
   78   3HZ   LYS   9          3HZ       LYS   9   6.393  21.628 -15.742
   79    H    ARG  10           H        ARG  10   5.395  25.805  -9.191
   80    HA   ARG  10           HA       ARG  10   4.077  27.004 -11.465
   81   1HB   ARG  10          1HB       ARG  10   2.963  26.196  -9.344
   82   2HB   ARG  10          2HB       ARG  10   3.712  27.561  -8.489
   83   1HG   ARG  10          1HG       ARG  10   1.556  28.368  -9.039
   84   2HG   ARG  10          2HG       ARG  10   2.591  29.060 -10.306
   85   1HD   ARG  10          1HD       ARG  10   0.567  28.144 -11.321
   86   2HD   ARG  10          2HD       ARG  10   1.959  27.157 -11.811
   87    HE   ARG  10           HE       ARG  10   0.838  26.013  -9.464
   88   1HH1  ARG  10          2HH1      ARG  10   0.007  26.590 -12.859
   89   2HH1  ARG  10          1HH1      ARG  10  -1.013  25.177 -12.991
   90   1HH2  ARG  10          2HH2      ARG  10  -0.493  24.136  -9.652
   91   2HH2  ARG  10          1HH2      ARG  10  -1.309  23.784 -11.156
   92    H    ALA  11           H        ALA  11   6.224  28.170  -8.843
   93    HA   ALA  11           HA       ALA  11   5.980  30.949  -9.425
   94   1HB   ALA  11          2HB       ALA  11   8.201  29.342  -8.099
   95   2HB   ALA  11          1HB       ALA  11   8.082  31.116  -8.083
   96   3HB   ALA  11          3HB       ALA  11   6.829  30.134  -7.292
   97    H    ASN  12           H        ASN  12   8.648  28.627 -10.250
   98    HA   ASN  12           HA       ASN  12   9.235  30.326 -12.630
   99   1HB   ASN  12          1HB       ASN  12  11.246  29.329 -10.571
  100   2HB   ASN  12          2HB       ASN  12  11.659  30.134 -12.103
  101   1HD2  ASN  12          1HD2      ASN  12  10.766  33.404 -11.028
  102   2HD2  ASN  12          2HD2      ASN  12  11.058  32.369 -12.407
  103    H    VAL  13           H        VAL  13  11.737  28.167 -12.207
  104    HA   VAL  13           HA       VAL  13  10.603  26.388 -14.251
  105    HB   VAL  13           HB       VAL  13  13.387  26.601 -13.018
  106   1HG1  VAL  13          3HG1      VAL  13  12.318  24.993 -15.384
  107   2HG1  VAL  13          1HG1      VAL  13  14.045  25.216 -15.012
  108   3HG1  VAL  13          2HG1      VAL  13  12.998  24.339 -13.873
  109   1HG2  VAL  13          2HG2      VAL  13  12.238  27.544 -15.685
  110   2HG2  VAL  13          3HG2      VAL  13  12.740  28.589 -14.334
  111   3HG2  VAL  13          1HG2      VAL  13  13.952  27.632 -15.216
  112    H    SER  14           H        SER  14  12.356  25.985 -11.102
  113    HA   SER  14           HA       SER  14  10.496  23.977 -10.187
  114   1HB   SER  14          1HB       SER  14  11.841  22.007 -10.382
  115   2HB   SER  14          2HB       SER  14  11.856  22.752 -11.993
  116    HG   SER  14           HG       SER  14  13.864  23.765 -11.331
  117    H    THR  15           H        THR  15  12.198  22.573  -8.459
  118    HA   THR  15           HA       THR  15  12.469  24.352  -6.299
  119    HB   THR  15           HB       THR  15  13.964  21.733  -6.739
  120    HG1  THR  15           HG1      THR  15  11.820  21.334  -7.045
  121   1HG2  THR  15          2HG2      THR  15  13.099  23.299  -4.269
  122   2HG2  THR  15          1HG2      THR  15  13.674  21.615  -4.222
  123   3HG2  THR  15          3HG2      THR  15  14.763  22.911  -4.772
  124    H    THR  16           H        THR  16  14.704  23.606  -8.951
  125    HA   THR  16           HA       THR  16  17.134  24.432  -7.744
  126    HB   THR  16           HB       THR  16  17.792  24.918 -10.159
  127    HG1  THR  16           HG1      THR  16  16.226  24.284 -11.700
  128   1HG2  THR  16          1HG2      THR  16  18.071  22.689  -9.110
  129   2HG2  THR  16          2HG2      THR  16  16.408  22.261  -9.575
  130   3HG2  THR  16          3HG2      THR  16  17.638  22.542 -10.828
  131    H    THR  17           H        THR  17  14.818  26.317  -9.785
  132    HA   THR  17           HA       THR  17  16.183  28.793  -9.485
  133    HB   THR  17           HB       THR  17  13.686  29.612 -10.028
  134    HG1  THR  17           HG1      THR  17  12.929  27.406  -9.573
  135   1HG2  THR  17          3HG2      THR  17  15.444  27.989 -11.921
  136   2HG2  THR  17          2HG2      THR  17  14.180  29.141 -12.416
  137   3HG2  THR  17          1HG2      THR  17  15.623  29.722 -11.553
  138    H    VAL  18           H        VAL  18  14.115  27.035  -7.260
  139    HA   VAL  18           HA       VAL  18  13.420  29.432  -5.730
  140    HB   VAL  18           HB       VAL  18  12.992  26.450  -5.340
  141   1HG1  VAL  18          2HG1      VAL  18  12.374  28.756  -3.446
  142   2HG1  VAL  18          3HG1      VAL  18  11.609  27.155  -3.336
  143   3HG1  VAL  18          1HG1      VAL  18  13.363  27.316  -3.104
  144   1HG2  VAL  18          1HG2      VAL  18  11.209  28.870  -5.824
  145   2HG2  VAL  18          3HG2      VAL  18  11.512  27.522  -6.941
  146   3HG2  VAL  18          2HG2      VAL  18  10.599  27.250  -5.442
  147    H    SER  19           H        SER  19  15.517  26.513  -5.188
  148    HA   SER  19           HA       SER  19  16.566  27.241  -2.709
  149   1HB   SER  19          2HB       SER  19  18.499  25.825  -3.308
  150   2HB   SER  19          1HB       SER  19  16.965  25.067  -3.799
  151    HG   SER  19           HG       SER  19  18.562  25.007  -5.449
  152    H    HIS  20           H        HIS  20  17.528  28.339  -5.975
  153    HA   HIS  20           HA       HIS  20  19.886  29.716  -5.423
  154   1HB   HIS  20          1HB       HIS  20  17.562  30.460  -7.238
  155   2HB   HIS  20          2HB       HIS  20  19.157  31.225  -7.297
  156    HD1  HIS  20           HD1      HIS  20  18.456  29.974  -9.880
  157    HD2  HIS  20           HD2      HIS  20  20.088  27.710  -6.763
  158    HE1  HIS  20           HE1      HIS  20  19.487  27.883 -10.903
  159    H    VAL  21           H        VAL  21  16.510  30.705  -4.838
  160    HA   VAL  21           HA       VAL  21  17.319  33.354  -3.864
  161    HB   VAL  21           HB       VAL  21  14.568  32.083  -3.643
  162   1HG1  VAL  21          2HG1      VAL  21  15.055  34.258  -2.482
  163   2HG1  VAL  21          1HG1      VAL  21  15.492  34.960  -4.057
  164   3HG1  VAL  21          3HG1      VAL  21  13.827  34.407  -3.759
  165   1HG2  VAL  21          1HG2      VAL  21  15.928  33.353  -6.041
  166   2HG2  VAL  21          3HG2      VAL  21  15.129  31.770  -5.941
  167   3HG2  VAL  21          2HG2      VAL  21  14.160  33.254  -5.874
  168    H    ILE  22           H        ILE  22  15.710  30.427  -2.440
  169    HA   ILE  22           HA       ILE  22  15.453  31.458   0.161
  170    HB   ILE  22           HB       ILE  22  16.010  28.538  -0.498
  171   1HG1  ILE  22          2HG1      ILE  22  14.221  29.338  -1.997
  172   2HG1  ILE  22          1HG1      ILE  22  13.559  28.273  -0.753
  173   1HG2  ILE  22          1HG2      ILE  22  14.654  30.047   1.764
  174   2HG2  ILE  22          3HG2      ILE  22  14.351  28.315   1.474
  175   3HG2  ILE  22          2HG2      ILE  22  15.994  28.879   1.855
  176   1HD1  ILE  22          2HD1      ILE  22  12.871  30.296   0.557
  177   2HD1  ILE  22          1HD1      ILE  22  13.455  31.319  -0.779
  178   3HD1  ILE  22          3HD1      ILE  22  12.097  30.205  -1.040
  179    H    ASN  23           H        ASN  23  18.174  29.476  -1.201
  180    HA   ASN  23           HA       ASN  23  19.668  29.752   1.301
  181   1HB   ASN  23          1HB       ASN  23  19.771  27.676   0.043
  182   2HB   ASN  23          2HB       ASN  23  20.281  28.535  -1.419
  183   1HD2  ASN  23          1HD2      ASN  23  23.686  28.416  -0.655
  184   2HD2  ASN  23          2HD2      ASN  23  22.414  28.723  -1.821
  185    H    LYS  24           H        LYS  24  19.030  31.850  -1.250
  186    HA   LYS  24           HA       LYS  24  20.062  33.699  -2.119
  187   1HB   LYS  24          2HB       LYS  24  21.641  33.584   0.488
  188   2HB   LYS  24          1HB       LYS  24  21.481  34.996  -0.578
  189   1HG   LYS  24          2HG       LYS  24  19.018  34.969  -0.235
  190   2HG   LYS  24          1HG       LYS  24  19.185  33.577   0.858
  191   1HD   LYS  24          2HD       LYS  24  20.626  36.223   1.315
  192   2HD   LYS  24          1HD       LYS  24  19.019  35.865   1.990
  193   1HE   LYS  24          2HE       LYS  24  19.997  33.795   3.056
  194   2HE   LYS  24          1HE       LYS  24  21.602  34.324   2.503
  195   1HZ   LYS  24          2HZ       LYS  24  21.313  36.322   3.777
  196   2HZ   LYS  24          1HZ       LYS  24  19.828  35.824   4.298
  197   3HZ   LYS  24          3HZ       LYS  24  21.181  34.991   4.744
  198    H    THR  25           H        THR  25  20.990  31.156  -2.930
  199    HA   THR  25           HA       THR  25  23.808  30.862  -2.880
  200    HB   THR  25           HB       THR  25  22.237  29.939  -5.259
  201    HG1  THR  25           HG1      THR  25  21.110  28.460  -3.981
  202   1HG2  THR  25          1HG2      THR  25  23.985  28.551  -3.185
  203   2HG2  THR  25          3HG2      THR  25  23.347  27.810  -4.670
  204   3HG2  THR  25          2HG2      THR  25  24.531  29.135  -4.775
  205    H    ARG  26           H        ARG  26  21.599  32.755  -4.915
  206    HA   ARG  26           HA       ARG  26  23.840  34.323  -5.926
  207   1HB   ARG  26          1HB       ARG  26  23.376  33.922  -8.296
  208   2HB   ARG  26          2HB       ARG  26  23.797  32.390  -7.500
  209   1HG   ARG  26          1HG       ARG  26  21.226  32.091  -7.177
  210   2HG   ARG  26          2HG       ARG  26  21.068  33.377  -8.395
  211   1HD   ARG  26          1HD       ARG  26  20.992  31.296  -9.584
  212   2HD   ARG  26          2HD       ARG  26  22.598  31.996  -9.889
  213    HE   ARG  26           HE       ARG  26  22.859  30.348  -7.625
  214   1HH1  ARG  26          2HH1      ARG  26  22.114  30.065 -11.072
  215   2HH1  ARG  26          1HH1      ARG  26  22.602  28.391 -11.181
  216   1HH2  ARG  26          2HH2      ARG  26  23.560  28.156  -7.785
  217   2HH2  ARG  26          1HH2      ARG  26  23.439  27.303  -9.307
  218    H    PHE  27           H        PHE  27  23.147  36.375  -6.627
  219    HA   PHE  27           HA       PHE  27  20.498  37.116  -5.663
  220   1HB   PHE  27          1HB       PHE  27  22.667  38.442  -5.399
  221   2HB   PHE  27          2HB       PHE  27  22.520  38.858  -7.114
  222    HD1  PHE  27           HD2      PHE  27  20.642  40.294  -7.906
  223    HD2  PHE  27           HD1      PHE  27  21.219  39.421  -3.724
  224    HE1  PHE  27           HE2      PHE  27  19.120  42.162  -7.304
  225    HE2  PHE  27           HE1      PHE  27  19.698  41.295  -3.127
  226    HZ   PHE  27           HZ       PHE  27  18.650  42.665  -4.916
  227    H    VAL  28           H        VAL  28  19.007  36.113  -7.044
  228    HA   VAL  28           HA       VAL  28  19.154  36.370  -9.922
  229    HB   VAL  28           HB       VAL  28  16.728  35.589  -9.761
  230   1HG1  VAL  28          3HG1      VAL  28  18.648  34.029 -10.023
  231   2HG1  VAL  28          2HG1      VAL  28  18.827  33.960  -8.254
  232   3HG1  VAL  28          1HG1      VAL  28  17.360  33.317  -9.025
  233   1HG2  VAL  28          2HG2      VAL  28  16.480  36.604  -7.397
  234   2HG2  VAL  28          3HG2      VAL  28  15.805  34.983  -7.655
  235   3HG2  VAL  28          1HG2      VAL  28  17.357  35.173  -6.812
  236    H    ALA  29           H        ALA  29  17.434  37.460 -11.213
  237    HA   ALA  29           HA       ALA  29  17.245  40.234 -10.545
  238   1HB   ALA  29          2HB       ALA  29  17.252  39.350 -12.866
  239   2HB   ALA  29          1HB       ALA  29  15.673  38.582 -12.570
  240   3HB   ALA  29          3HB       ALA  29  15.817  40.355 -12.551
  241    H    GLU  30           H        GLU  30  15.273  41.461 -10.177
  242    HA   GLU  30           HA       GLU  30  13.750  40.568  -8.007
  243   1HB   GLU  30          1HB       GLU  30  12.996  42.630 -10.126
  244   2HB   GLU  30          2HB       GLU  30  12.290  42.493  -8.498
  245   1HG   GLU  30          1HG       GLU  30  13.890  44.025  -7.950
  246   2HG   GLU  30          2HG       GLU  30  14.947  42.601  -7.861
  247    H    GLU  31           H        GLU  31  13.118  40.297 -11.510
  248    HA   GLU  31           HA       GLU  31  10.396  39.477 -11.264
  249   1HB   GLU  31          1HB       GLU  31  11.723  40.438 -13.289
  250   2HB   GLU  31          2HB       GLU  31  12.221  38.754 -13.571
  251   1HG   GLU  31          1HG       GLU  31  10.223  39.254 -14.897
  252   2HG   GLU  31          2HG       GLU  31   9.806  38.089 -13.627
  253    H    THR  32           H        THR  32  13.306  37.745 -10.518
  254    HA   THR  32           HA       THR  32  12.043  35.137 -11.120
  255    HB   THR  32           HB       THR  32  14.640  35.192  -9.704
  256    HG1  THR  32           HG1      THR  32  14.964  37.017 -10.942
  257   1HG2  THR  32          3HG2      THR  32  13.629  33.183 -10.766
  258   2HG2  THR  32          1HG2      THR  32  13.717  33.991 -12.350
  259   3HG2  THR  32          2HG2      THR  32  15.211  33.584 -11.472
  260    H    ARG  33           H        ARG  33  13.479  36.927  -8.337
  261    HA   ARG  33           HA       ARG  33  12.692  34.949  -6.417
  262   1HB   ARG  33          1HB       ARG  33  13.459  36.578  -4.768
  263   2HB   ARG  33          2HB       ARG  33  14.592  36.481  -6.128
  264   1HG   ARG  33          1HG       ARG  33  13.014  38.487  -7.036
  265   2HG   ARG  33          2HG       ARG  33  12.807  38.731  -5.290
  266   1HD   ARG  33          2HD       ARG  33  15.417  38.639  -6.858
  267   2HD   ARG  33          1HD       ARG  33  14.709  40.052  -6.044
  268    HE   ARG  33           HE       ARG  33  14.985  38.253  -3.997
  269   1HH1  ARG  33          2HH1      ARG  33  17.253  39.211  -6.560
  270   2HH1  ARG  33          1HH1      ARG  33  18.619  39.330  -5.473
  271   1HH2  ARG  33          1HH2      ARG  33  16.838  38.245  -2.625
  272   2HH2  ARG  33          2HH2      ARG  33  18.415  38.616  -3.281
  273    H    ASN  34           H        ASN  34  11.107  37.945  -7.612
  274    HA   ASN  34           HA       ASN  34   9.214  38.187  -5.518
  275   1HB   ASN  34          2HB       ASN  34   7.870  39.490  -7.084
  276   2HB   ASN  34          1HB       ASN  34   9.583  39.924  -7.231
  277   1HD2  ASN  34          1HD2      ASN  34   8.089  39.586 -10.679
  278   2HD2  ASN  34          2HD2      ASN  34   7.687  40.517  -9.242
  279    H    ALA  35           H        ALA  35   9.214  36.114  -8.436
  280    HA   ALA  35           HA       ALA  35   6.525  35.191  -8.176
  281   1HB   ALA  35          1HB       ALA  35   7.915  34.998 -10.229
  282   2HB   ALA  35          3HB       ALA  35   8.952  33.813  -9.398
  283   3HB   ALA  35          2HB       ALA  35   7.245  33.430  -9.721
  284    H    VAL  36           H        VAL  36   9.667  33.956  -6.930
  285    HA   VAL  36           HA       VAL  36   8.681  31.533  -5.833
  286    HB   VAL  36           HB       VAL  36  11.006  33.308  -4.956
  287   1HG1  VAL  36          1HG1      VAL  36  10.285  30.420  -4.296
  288   2HG1  VAL  36          3HG1      VAL  36  11.882  31.144  -3.991
  289   3HG1  VAL  36          2HG1      VAL  36  10.447  31.774  -3.154
  290   1HG2  VAL  36          3HG2      VAL  36  10.783  30.932  -6.849
  291   2HG2  VAL  36          1HG2      VAL  36  11.255  32.595  -7.261
  292   3HG2  VAL  36          2HG2      VAL  36  12.326  31.593  -6.259
  293    H    TRP  37           H        TRP  37   9.393  34.653  -4.145
  294    HA   TRP  37           HA       TRP  37   8.304  33.824  -1.665
  295   1HB   TRP  37          2HB       TRP  37   8.657  36.596  -2.851
  296   2HB   TRP  37          1HB       TRP  37   8.306  36.257  -1.148
  297    HD1  TRP  37           HD1      TRP  37  11.096  37.140  -3.154
  298    HE1  TRP  37           HE1      TRP  37  13.369  36.366  -2.220
  299    HE3  TRP  37           HE3      TRP  37   9.440  33.709   0.272
  300    HZ2  TRP  37           HZ2      TRP  37  14.327  34.488  -0.275
  301    HZ3  TRP  37           HZ3      TRP  37  11.075  32.448   1.643
  302    HH2  TRP  37           HH2      TRP  37  13.510  32.821   1.357
  303    H    ALA  38           H        ALA  38   6.758  35.397  -4.500
  304    HA   ALA  38           HA       ALA  38   4.285  35.988  -3.199
  305   1HB   ALA  38          3HB       ALA  38   4.928  35.382  -6.114
  306   2HB   ALA  38          2HB       ALA  38   3.383  36.038  -5.530
  307   3HB   ALA  38          1HB       ALA  38   4.877  36.986  -5.343
  308    H    ALA  39           H        ALA  39   5.170  33.231  -5.377
  309    HA   ALA  39           HA       ALA  39   2.794  31.785  -5.140
  310   1HB   ALA  39          2HB       ALA  39   4.628  31.291  -6.726
  311   2HB   ALA  39          3HB       ALA  39   5.631  30.704  -5.377
  312   3HB   ALA  39          1HB       ALA  39   4.135  29.843  -5.818
  313    H    ILE  40           H        ILE  40   5.713  31.653  -3.018
  314    HA   ILE  40           HA       ILE  40   4.914  29.522  -1.373
  315    HB   ILE  40           HB       ILE  40   6.636  31.978  -0.952
  316   1HG1  ILE  40          2HG1      ILE  40   7.292  28.995  -0.947
  317   2HG1  ILE  40          1HG1      ILE  40   7.336  30.006  -2.409
  318   1HG2  ILE  40          2HG2      ILE  40   6.022  29.775   1.070
  319   2HG2  ILE  40          1HG2      ILE  40   7.382  30.907   1.209
  320   3HG2  ILE  40          3HG2      ILE  40   5.718  31.517   1.266
  321   1HD1  ILE  40          1HD1      ILE  40   8.937  31.550  -1.127
  322   2HD1  ILE  40          2HD1      ILE  40   9.060  30.252   0.083
  323   3HD1  ILE  40          3HD1      ILE  40   9.579  29.959  -1.591
  324    H    LYS  41           H        LYS  41   3.761  32.882  -1.410
  325    HA   LYS  41           HA       LYS  41   2.467  32.620   1.206
  326   1HB   LYS  41          2HB       LYS  41   2.505  34.764  -0.949
  327   2HB   LYS  41          1HB       LYS  41   1.547  34.896   0.541
  328   1HG   LYS  41          1HG       LYS  41   3.485  34.932   1.916
  329   2HG   LYS  41          2HG       LYS  41   4.527  34.323   0.609
  330   1HD   LYS  41          2HD       LYS  41   4.814  36.781   1.028
  331   2HD   LYS  41          1HD       LYS  41   4.298  36.415  -0.632
  332   1HE   LYS  41          2HE       LYS  41   2.165  36.938   1.437
  333   2HE   LYS  41          1HE       LYS  41   3.106  38.321   0.838
  334   1HZ   LYS  41          1HZ       LYS  41   2.503  37.618  -1.407
  335   2HZ   LYS  41          2HZ       LYS  41   1.508  36.454  -0.789
  336   3HZ   LYS  41          3HZ       LYS  41   1.200  38.051  -0.497
  337    H    GLU  42           H        GLU  42   1.458  33.070  -2.231
  338    HA   GLU  42           HA       GLU  42  -1.314  32.928  -1.644
  339   1HB   GLU  42          2HB       GLU  42   0.032  32.263  -4.288
  340   2HB   GLU  42          1HB       GLU  42  -1.639  32.810  -4.037
  341   1HG   GLU  42          1HG       GLU  42   0.934  34.383  -3.794
  342   2HG   GLU  42          2HG       GLU  42  -0.529  34.778  -4.706
  343    H    LEU  43           H        LEU  43   0.853  30.431  -3.118
  344    HA   LEU  43           HA       LEU  43  -1.192  28.383  -2.904
  345   1HB   LEU  43          2HB       LEU  43   1.723  28.486  -3.686
  346   2HB   LEU  43          1HB       LEU  43   0.977  26.918  -3.341
  347    HG   LEU  43           HG       LEU  43   0.940  27.591  -5.778
  348   1HD1  LEU  43          3HD1      LEU  43  -0.699  25.981  -4.683
  349   2HD1  LEU  43          1HD1      LEU  43  -1.853  27.331  -4.598
  350   3HD1  LEU  43          2HD1      LEU  43  -1.274  26.756  -6.176
  351   1HD2  LEU  43          2HD2      LEU  43   0.490  30.036  -5.333
  352   2HD2  LEU  43          3HD2      LEU  43  -0.588  29.302  -6.543
  353   3HD2  LEU  43          1HD2      LEU  43  -1.179  29.595  -4.893
  354    H    HIS  44           H        HIS  44   0.637  29.953  -0.586
  355    HA   HIS  44           HA       HIS  44   1.455  29.445   1.487
  356   1HB   HIS  44          2HB       HIS  44  -0.241  28.338   2.931
  357   2HB   HIS  44          1HB       HIS  44  -0.839  29.716   1.994
  358    HD1  HIS  44           HD1      HIS  44  -2.377  29.135  -0.157
  359    HD2  HIS  44           HD2      HIS  44  -1.619  25.970   2.484
  360    HE1  HIS  44           HE1      HIS  44  -4.054  27.286  -0.658
  361    H    TYR  45           H        TYR  45   3.298  28.284   0.870
  362    HA   TYR  45           HA       TYR  45   3.459  25.505   0.394
  363   1HB   TYR  45          2HB       TYR  45   5.370  26.814  -0.069
  364   2HB   TYR  45          1HB       TYR  45   5.341  27.587   1.524
  365    HD1  TYR  45           HD1      TYR  45   5.541  24.056   0.174
  366    HD2  TYR  45           HD2      TYR  45   7.056  26.983   2.948
  367    HE1  TYR  45           HE1      TYR  45   7.178  22.399   1.038
  368    HE2  TYR  45           HE2      TYR  45   8.696  25.326   3.800
  369    HH   TYR  45           HH       TYR  45   8.899  22.002   2.494
  370    H    SER  46           H        SER  46   2.539  24.002   1.689
  371    HA   SER  46           HA       SER  46   3.468  23.674   4.413
  372   1HB   SER  46          2HB       SER  46   1.842  25.416   4.882
  373   2HB   SER  46          1HB       SER  46   0.606  24.590   3.907
  374    HG   SER  46           HG       SER  46   0.711  22.857   5.391
  375    HA   PRO  47           HA       PRO  47   2.253  19.917   2.044
  376   1HB   PRO  47          1HB       PRO  47   4.329  18.501   3.499
  377   2HB   PRO  47          2HB       PRO  47   4.265  18.891   1.760
  378   1HG   PRO  47          1HG       PRO  47   5.953  20.076   3.761
  379   2HG   PRO  47          2HG       PRO  47   5.801  20.554   2.046
  380   1HD   PRO  47          1HD       PRO  47   4.775  21.910   4.423
  381   2HD   PRO  47          2HD       PRO  47   4.784  22.474   2.726
  382    H    SER  48           H        SER  48   0.491  18.896   2.851
  383    HA   SER  48           HA       SER  48   0.026  18.683   5.706
  384   1HB   SER  48          1HB       SER  48  -1.982  17.324   4.864
  385   2HB   SER  48          2HB       SER  48  -1.881  19.011   4.304
  386    HG   SER  48           HG       SER  48  -1.254  16.636   2.898
  387    H    ALA  49           H        ALA  49   0.894  16.458   3.034
  388    HA   ALA  49           HA       ALA  49   1.187  14.198   4.900
  389   1HB   ALA  49          1HB       ALA  49   0.179  13.935   2.619
  390   2HB   ALA  49          3HB       ALA  49   1.743  14.402   1.910
  391   3HB   ALA  49          2HB       ALA  49   1.610  12.909   2.869
  392    H    VAL  50           H        VAL  50   3.355  12.855   3.954
  393    HA   VAL  50           HA       VAL  50   5.571  12.659   4.513
  394    HB   VAL  50           HB       VAL  50   5.531  13.351   2.131
  395   1HG1  VAL  50          2HG1      VAL  50   5.906  16.148   3.275
  396   2HG1  VAL  50          3HG1      VAL  50   6.305  15.716   1.601
  397   3HG1  VAL  50          1HG1      VAL  50   4.632  15.574   2.175
  398   1HG2  VAL  50          1HG2      VAL  50   7.674  12.885   3.532
  399   2HG2  VAL  50          3HG2      VAL  50   7.851  13.639   1.933
  400   3HG2  VAL  50          2HG2      VAL  50   7.962  14.635   3.398
  401    H    ALA  51           H        ALA  51   4.209  13.988   6.566
  402    HA   ALA  51           HA       ALA  51   5.964  16.233   7.388
  403   1HB   ALA  51          1HB       ALA  51   3.430  15.058   8.610
  404   2HB   ALA  51          2HB       ALA  51   4.303  16.485   9.215
  405   3HB   ALA  51          3HB       ALA  51   3.533  16.526   7.610
  406    H    ARG  52           H        ARG  52   4.676  13.131   8.734
  407    HA   ARG  52           HA       ARG  52   6.535  13.065  10.912
  408   1HB   ARG  52          2HB       ARG  52   5.728  10.755  11.214
  409   2HB   ARG  52          1HB       ARG  52   4.379  11.879  10.943
  410   1HG   ARG  52          2HG       ARG  52   3.700  10.388   9.363
  411   2HG   ARG  52          1HG       ARG  52   4.986  11.079   8.352
  412   1HD   ARG  52          2HD       ARG  52   6.573   9.368   9.282
  413   2HD   ARG  52          1HD       ARG  52   5.217   8.650  10.181
  414    HE   ARG  52           HE       ARG  52   4.541   8.861   7.406
  415   1HH1  ARG  52          2HH2      ARG  52   6.641   7.055   9.615
  416   2HH1  ARG  52          1HH2      ARG  52   6.638   5.601   8.644
  417   1HH2  ARG  52          2HH1      ARG  52   4.543   6.938   6.128
  418   2HH2  ARG  52          1HH1      ARG  52   5.446   5.536   6.651
  419    H    SER  53           H        SER  53   6.706  12.046   7.534
  420    HA   SER  53           HA       SER  53   9.035  10.341   7.920
  421   1HB   SER  53          1HB       SER  53   7.798  11.561   5.416
  422   2HB   SER  53          2HB       SER  53   9.036  10.285   5.448
  423    HG   SER  53           HG       SER  53   7.552   8.979   6.582
  424    H    LEU  54           H        LEU  54  11.141  10.958   7.919
  425    HA   LEU  54           HA       LEU  54  11.790  13.779   7.932
  426   1HB   LEU  54          1HB       LEU  54  13.296  11.175   8.246
  427   2HB   LEU  54          2HB       LEU  54  14.202  12.677   7.968
  428    HG   LEU  54           HG       LEU  54  13.901  12.083  10.403
  429   1HD1  LEU  54          3HD1      LEU  54  14.238  14.448   9.500
  430   2HD1  LEU  54          2HD1      LEU  54  12.485  14.681   9.691
  431   3HD1  LEU  54          1HD1      LEU  54  13.493  14.333  11.111
  432   1HD2  LEU  54          2HD2      LEU  54  11.551  11.185  10.121
  433   2HD2  LEU  54          1HD2      LEU  54  11.752  12.328  11.469
  434   3HD2  LEU  54          3HD2      LEU  54  10.991  12.868   9.956
  435    H    LYS  55           H        LYS  55  11.180  14.549   5.866
  436    HA   LYS  55           HA       LYS  55  13.217  14.036   3.799
  437   1HB   LYS  55          2HB       LYS  55  11.651  12.422   3.054
  438   2HB   LYS  55          1HB       LYS  55  10.259  13.417   3.529
  439   1HG   LYS  55          1HG       LYS  55  10.508  13.401   1.077
  440   2HG   LYS  55          2HG       LYS  55  10.789  15.034   1.714
  441   1HD   LYS  55          2HD       LYS  55  13.290  14.489   1.677
  442   2HD   LYS  55          1HD       LYS  55  12.877  13.004   0.798
  443   1HE   LYS  55          1HE       LYS  55  12.074  14.202  -1.078
  444   2HE   LYS  55          2HE       LYS  55  11.871  15.703  -0.150
  445   1HZ   LYS  55          3HZ       LYS  55  14.461  14.476  -0.787
  446   2HZ   LYS  55          2HZ       LYS  55  13.786  15.740  -1.603
  447   3HZ   LYS  55          1HZ       LYS  55  14.214  15.922  -0.017
  448    H    VAL  56           H        VAL  56  13.877  15.955   3.065
  449    HA   VAL  56           HA       VAL  56  11.936  18.209   2.945
  450    HB   VAL  56           HB       VAL  56  13.788  19.725   3.666
  451   1HG1  VAL  56          3HG1      VAL  56  12.076  18.846   5.274
  452   2HG1  VAL  56          2HG1      VAL  56  13.187  17.519   5.686
  453   3HG1  VAL  56          1HG1      VAL  56  13.637  19.202   6.047
  454   1HG2  VAL  56          2HG2      VAL  56  15.230  17.113   4.325
  455   2HG2  VAL  56          1HG2      VAL  56  15.704  18.278   3.066
  456   3HG2  VAL  56          3HG2      VAL  56  15.774  18.743   4.780
   
  No H/Q in entry =         456
  Start of MODEL          10
 Raw file had  466 H/Q atoms
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1   1.472  18.838  -6.324
    2   2H    MET   1          2H        MET   1   2.013  18.297  -4.860
    3   3H    MET   1          3H        MET   1   0.796  17.496  -5.631
    4    HA   MET   1           HA       MET   1  -0.665  19.346  -5.407
    5   1HB   MET   1          1HB       MET   1   0.315  17.675  -3.295
    6   2HB   MET   1          2HB       MET   1   0.049  19.290  -2.609
    7   1HG   MET   1          1HG       MET   1  -1.972  17.735  -4.275
    8   2HG   MET   1          2HG       MET   1  -1.972  17.815  -2.508
    9   1HE   MET   1          1HE       MET   1  -2.548  19.824  -1.090
   10   2HE   MET   1          2HE       MET   1  -1.310  20.861  -1.836
   11   3HE   MET   1          3HE       MET   1  -2.985  21.439  -1.693
   12    H    ALA   2           H        ALA   2  -1.060  21.479  -4.588
   13    HA   ALA   2           HA       ALA   2   1.117  23.299  -4.967
   14   1HB   ALA   2          3HB       ALA   2  -1.668  23.666  -3.784
   15   2HB   ALA   2          1HB       ALA   2  -0.565  24.988  -4.230
   16   3HB   ALA   2          2HB       ALA   2  -1.198  23.898  -5.486
   17    H    THR   3           H        THR   3   2.796  22.963  -3.528
   18    HA   THR   3           HA       THR   3   2.271  23.761  -0.730
   19    HB   THR   3           HB       THR   3   3.856  21.883  -0.016
   20    HG1  THR   3           HG1      THR   3   3.796  20.094  -1.557
   21   1HG2  THR   3          1HG2      THR   3   1.345  21.837   0.256
   22   2HG2  THR   3          2HG2      THR   3   1.249  20.954  -1.285
   23   3HG2  THR   3          3HG2      THR   3   2.089  20.228   0.104
   24    H    ILE   4           H        ILE   4   5.098  22.347  -2.386
   25    HA   ILE   4           HA       ILE   4   6.404  25.001  -2.508
   26    HB   ILE   4           HB       ILE   4   7.054  24.004  -0.347
   27   1HG1  ILE   4          2HG1      ILE   4   9.376  23.871  -2.310
   28   2HG1  ILE   4          1HG1      ILE   4   8.620  25.400  -1.806
   29   1HG2  ILE   4          1HG2      ILE   4   6.799  21.593  -1.175
   30   2HG2  ILE   4          2HG2      ILE   4   8.381  21.792  -1.963
   31   3HG2  ILE   4          3HG2      ILE   4   8.245  21.922  -0.195
   32   1HD1  ILE   4          2HD1      ILE   4   9.084  24.794   0.585
   33   2HD1  ILE   4          1HD1      ILE   4   9.951  23.349   0.016
   34   3HD1  ILE   4          3HD1      ILE   4  10.561  24.968  -0.390
   35    H    LYS   5           H        LYS   5   6.185  21.609  -3.459
   36    HA   LYS   5           HA       LYS   5   8.296  21.623  -5.372
   37   1HB   LYS   5          1HB       LYS   5   5.784  19.939  -5.017
   38   2HB   LYS   5          2HB       LYS   5   7.044  19.579  -6.216
   39   1HG   LYS   5          1HG       LYS   5   7.771  19.978  -3.295
   40   2HG   LYS   5          2HG       LYS   5   7.143  18.413  -3.861
   41   1HD   LYS   5          1HD       LYS   5   8.951  18.189  -5.474
   42   2HD   LYS   5          2HD       LYS   5   9.516  19.841  -5.144
   43   1HE   LYS   5          1HE       LYS   5  10.948  18.265  -3.959
   44   2HE   LYS   5          2HE       LYS   5   9.988  19.178  -2.777
   45   1HZ   LYS   5          2HZ       LYS   5   9.357  16.479  -3.757
   46   2HZ   LYS   5          3HZ       LYS   5  10.045  16.832  -2.299
   47   3HZ   LYS   5          1HZ       LYS   5   8.504  17.323  -2.627
   48    H    ASP   6           H        ASP   6   4.730  21.643  -5.884
   49    HA   ASP   6           HA       ASP   6   4.991  22.203  -8.684
   50   1HB   ASP   6          1HB       ASP   6   2.665  22.217  -6.743
   51   2HB   ASP   6          2HB       ASP   6   2.472  22.617  -8.464
   52    H    VAL   7           H        VAL   7   4.202  24.306  -5.861
   53    HA   VAL   7           HA       VAL   7   3.512  26.611  -7.307
   54    HB   VAL   7           HB       VAL   7   4.362  27.871  -5.302
   55   1HG1  VAL   7          2HG1      VAL   7   2.070  26.870  -5.437
   56   2HG1  VAL   7          3HG1      VAL   7   2.697  25.404  -4.649
   57   3HG1  VAL   7          1HG1      VAL   7   2.685  26.953  -3.771
   58   1HG2  VAL   7          2HG2      VAL   7   5.298  25.118  -4.495
   59   2HG2  VAL   7          3HG2      VAL   7   6.220  26.637  -4.514
   60   3HG2  VAL   7          1HG2      VAL   7   4.945  26.390  -3.312
   61    H    ALA   8           H        ALA   8   6.751  25.722  -6.049
   62    HA   ALA   8           HA       ALA   8   8.199  27.810  -7.277
   63   1HB   ALA   8          3HB       ALA   8   9.054  26.356  -5.467
   64   2HB   ALA   8          1HB       ALA   8   9.090  24.979  -6.593
   65   3HB   ALA   8          2HB       ALA   8  10.157  26.376  -6.863
   66    H    LYS   9           H        LYS   9   7.481  24.467  -8.418
   67    HA   LYS   9           HA       LYS   9   9.018  24.471 -10.749
   68   1HB   LYS   9          1HB       LYS   9   7.806  22.530  -9.762
   69   2HB   LYS   9          2HB       LYS   9   6.273  23.222 -10.332
   70   1HG   LYS   9          2HG       LYS   9   7.350  23.219 -12.684
   71   2HG   LYS   9          1HG       LYS   9   8.599  22.168 -11.982
   72   1HD   LYS   9          2HD       LYS   9   5.598  21.587 -11.855
   73   2HD   LYS   9          1HD       LYS   9   6.687  20.931 -13.096
   74   1HE   LYS   9          2HE       LYS   9   6.759  19.192 -11.577
   75   2HE   LYS   9          1HE       LYS   9   8.112  20.168 -10.971
   76   1HZ   LYS   9          3HZ       LYS   9   5.348  20.218  -9.935
   77   2HZ   LYS   9          2HZ       LYS   9   6.645  19.484  -9.219
   78   3HZ   LYS   9          1HZ       LYS   9   6.609  21.123  -9.370
   79    H    ARG  10           H        ARG  10   5.608  25.558 -10.316
   80    HA   ARG  10           HA       ARG  10   5.320  26.382 -13.064
   81   1HB   ARG  10          1HB       ARG  10   3.456  25.699 -11.532
   82   2HB   ARG  10          2HB       ARG  10   3.715  27.195 -10.603
   83   1HG   ARG  10          2HG       ARG  10   3.199  28.556 -12.570
   84   2HG   ARG  10          1HG       ARG  10   3.093  27.101 -13.589
   85   1HD   ARG  10          2HD       ARG  10   1.189  26.288 -12.204
   86   2HD   ARG  10          1HD       ARG  10   1.299  27.756 -11.209
   87    HE   ARG  10           HE       ARG  10   0.224  28.961 -12.866
   88   1HH1  ARG  10          2HH1      ARG  10   1.365  25.876 -14.193
   89   2HH1  ARG  10          1HH1      ARG  10   0.486  26.043 -15.695
   90   1HH2  ARG  10          1HH2      ARG  10  -0.916  29.178 -14.859
   91   2HH2  ARG  10          2HH2      ARG  10  -0.795  27.937 -16.084
   92    H    ALA  11           H        ALA  11   6.226  28.024 -10.013
   93    HA   ALA  11           HA       ALA  11   6.011  30.694 -10.931
   94   1HB   ALA  11          1HB       ALA  11   6.252  30.051  -8.561
   95   2HB   ALA  11          3HB       ALA  11   7.913  29.496  -8.877
   96   3HB   ALA  11          2HB       ALA  11   7.506  31.219  -9.042
   97    H    ASN  12           H        ASN  12   8.716  28.320 -11.150
   98    HA   ASN  12           HA       ASN  12   9.937  30.090 -13.196
   99   1HB   ASN  12          1HB       ASN  12  11.045  30.674 -11.092
  100   2HB   ASN  12          2HB       ASN  12  11.397  28.964 -10.772
  101   1HD2  ASN  12          1HD2      ASN  12  13.466  30.976 -13.769
  102   2HD2  ASN  12          2HD2      ASN  12  11.867  31.504 -13.293
  103    H    VAL  13           H        VAL  13  11.436  27.249 -11.624
  104    HA   VAL  13           HA       VAL  13  10.770  25.593 -14.000
  105    HB   VAL  13           HB       VAL  13  13.576  26.209 -12.963
  106   1HG1  VAL  13          3HG1      VAL  13  12.580  24.120 -14.954
  107   2HG1  VAL  13          1HG1      VAL  13  14.285  24.604 -14.786
  108   3HG1  VAL  13          2HG1      VAL  13  13.448  23.823 -13.428
  109   1HG2  VAL  13          2HG2      VAL  13  12.200  26.612 -15.660
  110   2HG2  VAL  13          1HG2      VAL  13  12.714  27.887 -14.533
  111   3HG2  VAL  13          3HG2      VAL  13  13.931  26.886 -15.354
  112    H    SER  14           H        SER  14  12.669  25.606 -10.911
  113    HA   SER  14           HA       SER  14  11.095  23.318  -9.941
  114   1HB   SER  14          2HB       SER  14  14.083  23.156 -10.530
  115   2HB   SER  14          1HB       SER  14  13.210  21.999  -9.498
  116    HG   SER  14           HG       SER  14  13.380  21.336 -11.705
  117    H    THR  15           H        THR  15  12.128  22.635  -7.704
  118    HA   THR  15           HA       THR  15  11.962  24.906  -5.995
  119    HB   THR  15           HB       THR  15  12.786  23.198  -4.263
  120    HG1  THR  15           HG1      THR  15  12.925  21.088  -5.022
  121   1HG2  THR  15          3HG2      THR  15  10.390  23.634  -4.747
  122   2HG2  THR  15          2HG2      THR  15  10.442  22.443  -6.068
  123   3HG2  THR  15          1HG2      THR  15  10.676  21.916  -4.384
  124    H    THR  16           H        THR  16  14.673  23.508  -7.728
  125    HA   THR  16           HA       THR  16  16.820  24.166  -6.054
  126    HB   THR  16           HB       THR  16  16.937  22.884  -8.209
  127    HG1  THR  16           HG1      THR  16  18.955  23.764  -8.752
  128   1HG2  THR  16          3HG2      THR  16  15.534  24.606  -9.498
  129   2HG2  THR  16          1HG2      THR  16  16.998  25.613  -9.559
  130   3HG2  THR  16          2HG2      THR  16  16.990  24.009 -10.326
  131    H    THR  17           H        THR  17  14.903  26.247  -8.257
  132    HA   THR  17           HA       THR  17  16.538  28.562  -8.082
  133    HB   THR  17           HB       THR  17  13.507  28.449  -8.378
  134    HG1  THR  17           HG1      THR  17  14.160  28.341 -10.662
  135   1HG2  THR  17          2HG2      THR  17  15.646  30.354  -9.438
  136   2HG2  THR  17          3HG2      THR  17  13.905  30.455  -9.785
  137   3HG2  THR  17          1HG2      THR  17  14.494  30.708  -8.127
  138    H    VAL  18           H        VAL  18  13.821  27.368  -6.054
  139    HA   VAL  18           HA       VAL  18  13.708  29.663  -4.349
  140    HB   VAL  18           HB       VAL  18  12.953  26.785  -3.679
  141   1HG1  VAL  18          3HG1      VAL  18  11.982  29.499  -2.674
  142   2HG1  VAL  18          1HG1      VAL  18  11.270  27.931  -2.228
  143   3HG1  VAL  18          2HG1      VAL  18  12.940  28.315  -1.756
  144   1HG2  VAL  18          3HG2      VAL  18  11.491  28.949  -5.236
  145   2HG2  VAL  18          2HG2      VAL  18  11.856  27.289  -5.751
  146   3HG2  VAL  18          1HG2      VAL  18  10.654  27.579  -4.476
  147    H    SER  19           H        SER  19  15.643  26.657  -4.358
  148    HA   SER  19           HA       SER  19  16.688  26.951  -1.703
  149   1HB   SER  19          2HB       SER  19  16.755  24.853  -3.092
  150   2HB   SER  19          1HB       SER  19  17.987  25.621  -4.120
  151    HG   SER  19           HG       SER  19  18.922  24.369  -2.458
  152    H    HIS  20           H        HIS  20  17.778  28.014  -4.951
  153    HA   HIS  20           HA       HIS  20  20.214  29.181  -4.071
  154   1HB   HIS  20          2HB       HIS  20  18.412  29.690  -6.450
  155   2HB   HIS  20          1HB       HIS  20  19.959  30.508  -6.218
  156    HD1  HIS  20           HD1      HIS  20  21.936  28.428  -5.478
  157    HD2  HIS  20           HD2      HIS  20  18.833  27.665  -8.165
  158    HE1  HIS  20           HE1      HIS  20  22.624  26.421  -6.893
  159    H    VAL  21           H        VAL  21  16.903  30.509  -4.494
  160    HA   VAL  21           HA       VAL  21  17.498  33.211  -3.942
  161    HB   VAL  21           HB       VAL  21  15.052  31.469  -3.520
  162   1HG1  VAL  21          2HG1      VAL  21  15.414  34.408  -2.804
  163   2HG1  VAL  21          3HG1      VAL  21  13.825  33.653  -3.075
  164   3HG1  VAL  21          1HG1      VAL  21  14.859  33.092  -1.741
  165   1HG2  VAL  21          2HG2      VAL  21  15.808  32.216  -5.822
  166   2HG2  VAL  21          3HG2      VAL  21  14.181  32.775  -5.372
  167   3HG2  VAL  21          1HG2      VAL  21  15.560  33.896  -5.293
  168    H    ILE  22           H        ILE  22  16.682  30.515  -1.679
  169    HA   ILE  22           HA       ILE  22  16.788  32.071   0.701
  170    HB   ILE  22           HB       ILE  22  17.228  29.111   0.134
  171   1HG1  ILE  22          1HG1      ILE  22  14.922  30.459   1.585
  172   2HG1  ILE  22          2HG1      ILE  22  14.947  30.345  -0.189
  173   1HG2  ILE  22          1HG2      ILE  22  17.071  30.601   2.795
  174   2HG2  ILE  22          2HG2      ILE  22  16.885  28.841   2.628
  175   3HG2  ILE  22          3HG2      ILE  22  18.425  29.611   2.198
  176   1HD1  ILE  22          1HD1      ILE  22  15.254  27.859   0.021
  177   2HD1  ILE  22          2HD1      ILE  22  15.070  28.019   1.782
  178   3HD1  ILE  22          3HD1      ILE  22  13.717  28.438   0.707
  179    H    ASN  23           H        ASN  23  19.325  30.089  -0.952
  180    HA   ASN  23           HA       ASN  23  21.359  30.811   0.993
  181   1HB   ASN  23          2HB       ASN  23  21.346  29.391  -1.684
  182   2HB   ASN  23          1HB       ASN  23  22.862  29.774  -0.841
  183   1HD2  ASN  23          1HD2      ASN  23  20.356  26.812   0.571
  184   2HD2  ASN  23          2HD2      ASN  23  19.835  27.912  -0.687
  185    H    LYS  24           H        LYS  24  19.919  32.514  -1.592
  186    HA   LYS  24           HA       LYS  24  20.417  34.468  -2.642
  187   1HB   LYS  24          2HB       LYS  24  21.328  34.755  -0.046
  188   2HB   LYS  24          1HB       LYS  24  22.777  35.175  -0.981
  189   1HG   LYS  24          2HG       LYS  24  20.002  36.366  -1.443
  190   2HG   LYS  24          1HG       LYS  24  21.285  37.137  -0.485
  191   1HD   LYS  24          2HD       LYS  24  22.773  37.134  -2.486
  192   2HD   LYS  24          1HD       LYS  24  21.468  36.391  -3.440
  193   1HE   LYS  24          1HE       LYS  24  21.435  38.775  -3.860
  194   2HE   LYS  24          2HE       LYS  24  20.008  38.364  -2.887
  195   1HZ   LYS  24          2HZ       LYS  24  22.522  39.462  -1.831
  196   2HZ   LYS  24          1HZ       LYS  24  21.142  40.325  -2.102
  197   3HZ   LYS  24          3HZ       LYS  24  21.160  39.135  -0.960
  198    H    THR  25           H        THR  25  21.450  32.122  -3.780
  199    HA   THR  25           HA       THR  25  24.219  32.801  -4.642
  200    HB   THR  25           HB       THR  25  23.696  30.454  -5.888
  201    HG1  THR  25           HG1      THR  25  22.131  30.368  -3.528
  202   1HG2  THR  25          3HG2      THR  25  24.363  30.800  -2.927
  203   2HG2  THR  25          1HG2      THR  25  24.680  29.336  -3.886
  204   3HG2  THR  25          2HG2      THR  25  25.520  30.855  -4.278
  205    H    ARG  26           H        ARG  26  21.671  31.159  -6.509
  206    HA   ARG  26           HA       ARG  26  22.141  33.060  -8.738
  207   1HB   ARG  26          1HB       ARG  26  20.794  30.334  -8.562
  208   2HB   ARG  26          2HB       ARG  26  20.877  31.314 -10.044
  209   1HG   ARG  26          1HG       ARG  26  23.276  31.174 -10.113
  210   2HG   ARG  26          2HG       ARG  26  23.357  30.522  -8.460
  211   1HD   ARG  26          1HD       ARG  26  23.669  28.735 -10.141
  212   2HD   ARG  26          2HD       ARG  26  22.198  28.486  -9.180
  213    HE   ARG  26           HE       ARG  26  21.873  29.918 -11.741
  214   1HH1  ARG  26          2HH2      ARG  26  21.518  26.892  -9.898
  215   2HH1  ARG  26          1HH2      ARG  26  20.576  26.104 -11.140
  216   1HH2  ARG  26          2HH1      ARG  26  20.545  28.888 -13.312
  217   2HH2  ARG  26          1HH1      ARG  26  19.959  27.263 -13.046
  218    H    PHE  27           H        PHE  27  20.743  34.697  -9.023
  219    HA   PHE  27           HA       PHE  27  17.868  34.233  -8.624
  220   1HB   PHE  27          1HB       PHE  27  17.651  36.302  -7.246
  221   2HB   PHE  27          2HB       PHE  27  18.502  34.991  -6.416
  222    HD1  PHE  27           HD2      PHE  27  21.015  35.081  -6.193
  223    HD2  PHE  27           HD1      PHE  27  18.714  38.418  -7.649
  224    HE1  PHE  27           HE2      PHE  27  22.938  36.592  -5.767
  225    HE2  PHE  27           HE1      PHE  27  20.636  39.931  -7.215
  226    HZ   PHE  27           HZ       PHE  27  22.752  39.018  -6.281
  227    H    VAL  28           H        VAL  28  16.918  34.983 -10.426
  228    HA   VAL  28           HA       VAL  28  18.376  36.833 -12.165
  229    HB   VAL  28           HB       VAL  28  15.534  35.812 -12.545
  230   1HG1  VAL  28          1HG1      VAL  28  16.380  37.587 -14.066
  231   2HG1  VAL  28          2HG1      VAL  28  17.777  36.561 -14.470
  232   3HG1  VAL  28          3HG1      VAL  28  16.135  36.048 -14.925
  233   1HG2  VAL  28          2HG2      VAL  28  18.183  34.400 -13.092
  234   2HG2  VAL  28          1HG2      VAL  28  16.834  33.813 -12.088
  235   3HG2  VAL  28          3HG2      VAL  28  16.644  33.931 -13.852
  236    H    ALA  29           H        ALA  29  18.463  38.522 -10.504
  237    HA   ALA  29           HA       ALA  29  17.816  40.540  -9.667
  238   1HB   ALA  29          1HB       ALA  29  17.013  40.849 -12.060
  239   2HB   ALA  29          3HB       ALA  29  15.392  40.398 -11.491
  240   3HB   ALA  29          2HB       ALA  29  16.187  41.845 -10.840
  241    H    GLU  30           H        GLU  30  15.647  41.694  -8.700
  242    HA   GLU  30           HA       GLU  30  14.896  40.034  -6.503
  243   1HB   GLU  30          1HB       GLU  30  13.719  42.653  -7.525
  244   2HB   GLU  30          2HB       GLU  30  13.391  41.933  -5.931
  245   1HG   GLU  30          1HG       GLU  30  16.143  42.769  -6.960
  246   2HG   GLU  30          2HG       GLU  30  15.152  43.688  -5.814
  247    H    GLU  31           H        GLU  31  13.520  40.569  -9.688
  248    HA   GLU  31           HA       GLU  31  10.834  39.921  -9.302
  249   1HB   GLU  31          2HB       GLU  31  12.733  39.214 -11.581
  250   2HB   GLU  31          1HB       GLU  31  10.964  39.036 -11.656
  251   1HG   GLU  31          1HG       GLU  31  11.106  41.162 -12.517
  252   2HG   GLU  31          2HG       GLU  31  11.073  41.591 -10.795
  253    H    THR  32           H        THR  32  13.673  37.715  -9.503
  254    HA   THR  32           HA       THR  32  12.241  35.280  -9.686
  255    HB   THR  32           HB       THR  32  14.916  35.883  -8.346
  256    HG1  THR  32           HG1      THR  32  14.755  36.430 -10.560
  257   1HG2  THR  32          2HG2      THR  32  13.687  33.273  -9.346
  258   2HG2  THR  32          1HG2      THR  32  15.367  33.468  -8.795
  259   3HG2  THR  32          3HG2      THR  32  14.024  33.687  -7.649
  260    H    ARG  33           H        ARG  33  13.812  36.585  -6.694
  261    HA   ARG  33           HA       ARG  33  12.540  34.789  -4.943
  262   1HB   ARG  33          1HB       ARG  33  13.198  36.384  -3.155
  263   2HB   ARG  33          2HB       ARG  33  14.513  36.071  -4.305
  264   1HG   ARG  33          2HG       ARG  33  13.977  38.180  -5.495
  265   2HG   ARG  33          1HG       ARG  33  12.685  38.514  -4.323
  266   1HD   ARG  33          1HD       ARG  33  15.614  38.127  -3.588
  267   2HD   ARG  33          2HD       ARG  33  14.841  39.700  -3.848
  268    HE   ARG  33           HE       ARG  33  13.568  37.925  -1.867
  269   1HH1  ARG  33          2HH2      ARG  33  15.403  40.903  -2.542
  270   2HH1  ARG  33          1HH2      ARG  33  15.571  41.320  -0.849
  271   1HH2  ARG  33          2HH1      ARG  33  13.693  38.576   0.340
  272   2HH2  ARG  33          1HH1      ARG  33  14.462  40.088   0.765
  273    H    ASN  34           H        ASN  34  11.479  37.995  -6.126
  274    HA   ASN  34           HA       ASN  34   9.295  38.350  -4.362
  275   1HB   ASN  34          1HB       ASN  34  10.213  40.114  -5.823
  276   2HB   ASN  34          2HB       ASN  34   9.637  39.236  -7.256
  277   1HD2  ASN  34          1HD2      ASN  34   7.033  41.402  -4.895
  278   2HD2  ASN  34          2HD2      ASN  34   8.671  41.075  -4.375
  279    H    ALA  35           H        ALA  35   9.287  37.050  -7.744
  280    HA   ALA  35           HA       ALA  35   6.555  36.313  -7.760
  281   1HB   ALA  35          2HB       ALA  35   7.951  36.519  -9.780
  282   2HB   ALA  35          1HB       ALA  35   8.918  35.115  -9.267
  283   3HB   ALA  35          3HB       ALA  35   7.201  34.908  -9.693
  284    H    VAL  36           H        VAL  36   9.492  34.481  -6.813
  285    HA   VAL  36           HA       VAL  36   8.283  31.951  -6.484
  286    HB   VAL  36           HB       VAL  36  10.698  33.331  -5.274
  287   1HG1  VAL  36          1HG1      VAL  36   9.662  30.523  -4.710
  288   2HG1  VAL  36          2HG1      VAL  36  11.340  31.036  -4.415
  289   3HG1  VAL  36          3HG1      VAL  36  10.012  31.806  -3.525
  290   1HG2  VAL  36          3HG2      VAL  36  10.635  32.564  -7.690
  291   2HG2  VAL  36          2HG2      VAL  36  11.911  31.799  -6.714
  292   3HG2  VAL  36          1HG2      VAL  36  10.422  30.903  -7.095
  293    H    TRP  37           H        TRP  37   9.053  34.371  -3.887
  294    HA   TRP  37           HA       TRP  37   7.642  32.959  -1.872
  295   1HB   TRP  37          1HB       TRP  37   8.342  35.901  -2.116
  296   2HB   TRP  37          2HB       TRP  37   7.749  35.125  -0.639
  297    HD1  TRP  37           HD1      TRP  37  10.780  36.387  -1.760
  298    HE1  TRP  37           HE1      TRP  37  12.877  35.165  -0.904
  299    HE3  TRP  37           HE3      TRP  37   8.601  32.008  -0.216
  300    HZ2  TRP  37           HZ2      TRP  37  13.513  32.650   0.277
  301    HZ3  TRP  37           HZ3      TRP  37  10.001  30.220   0.769
  302    HH2  TRP  37           HH2      TRP  37  12.450  30.531   1.020
  303    H    ALA  38           H        ALA  38   6.584  35.493  -4.173
  304    HA   ALA  38           HA       ALA  38   4.069  36.032  -2.983
  305   1HB   ALA  38          2HB       ALA  38   4.923  36.077  -5.907
  306   2HB   ALA  38          3HB       ALA  38   3.430  36.804  -5.267
  307   3HB   ALA  38          1HB       ALA  38   5.016  37.429  -4.754
  308    H    ALA  39           H        ALA  39   4.960  33.681  -5.580
  309    HA   ALA  39           HA       ALA  39   2.356  32.592  -5.901
  310   1HB   ALA  39          3HB       ALA  39   4.186  32.293  -7.524
  311   2HB   ALA  39          1HB       ALA  39   5.094  31.325  -6.340
  312   3HB   ALA  39          2HB       ALA  39   3.555  30.715  -6.992
  313    H    ILE  40           H        ILE  40   5.136  31.538  -3.850
  314    HA   ILE  40           HA       ILE  40   3.946  29.186  -2.823
  315    HB   ILE  40           HB       ILE  40   6.012  31.119  -1.705
  316   1HG1  ILE  40          1HG1      ILE  40   6.384  28.256  -2.650
  317   2HG1  ILE  40          2HG1      ILE  40   6.381  29.607  -3.805
  318   1HG2  ILE  40          1HG2      ILE  40   5.041  28.447  -0.601
  319   2HG2  ILE  40          2HG2      ILE  40   6.549  29.238  -0.094
  320   3HG2  ILE  40          3HG2      ILE  40   4.990  30.022   0.221
  321   1HD1  ILE  40          1HD1      ILE  40   8.211  29.372  -1.379
  322   2HD1  ILE  40          3HD1      ILE  40   8.682  29.051  -3.061
  323   3HD1  ILE  40          2HD1      ILE  40   8.215  30.692  -2.565
  324    H    LYS  41           H        LYS  41   3.737  32.592  -1.694
  325    HA   LYS  41           HA       LYS  41   2.267  31.909   0.697
  326   1HB   LYS  41          1HB       LYS  41   3.734  33.946   0.338
  327   2HB   LYS  41          2HB       LYS  41   2.473  34.591  -0.736
  328   1HG   LYS  41          1HG       LYS  41   0.831  34.297   1.197
  329   2HG   LYS  41          2HG       LYS  41   2.228  33.929   2.233
  330   1HD   LYS  41          2HD       LYS  41   1.841  36.498   0.620
  331   2HD   LYS  41          1HD       LYS  41   1.564  36.328   2.369
  332   1HE   LYS  41          2HE       LYS  41   3.983  35.572   2.584
  333   2HE   LYS  41          1HE       LYS  41   4.206  36.017   0.877
  334   1HZ   LYS  41          3HZ       LYS  41   3.551  38.244   1.438
  335   2HZ   LYS  41          2HZ       LYS  41   3.357  37.831   3.025
  336   3HZ   LYS  41          1HZ       LYS  41   4.855  37.779   2.335
  337    H    GLU  42           H        GLU  42   1.474  32.987  -2.612
  338    HA   GLU  42           HA       GLU  42  -1.247  33.561  -2.144
  339   1HB   GLU  42          1HB       GLU  42   0.086  34.263  -4.138
  340   2HB   GLU  42          2HB       GLU  42   0.066  32.579  -4.709
  341   1HG   GLU  42          1HG       GLU  42  -2.427  32.644  -4.737
  342   2HG   GLU  42          2HG       GLU  42  -2.377  34.335  -4.200
  343    H    LEU  43           H        LEU  43   0.319  30.585  -3.459
  344    HA   LEU  43           HA       LEU  43  -2.212  29.135  -3.424
  345   1HB   LEU  43          1HB       LEU  43   0.623  28.609  -4.254
  346   2HB   LEU  43          2HB       LEU  43  -0.402  27.208  -3.874
  347    HG   LEU  43           HG       LEU  43  -2.127  28.038  -5.468
  348   1HD1  LEU  43          3HD1      LEU  43  -0.066  30.235  -5.935
  349   2HD1  LEU  43          2HD1      LEU  43  -1.387  29.878  -7.072
  350   3HD1  LEU  43          1HD1      LEU  43  -1.760  30.425  -5.424
  351   1HD2  LEU  43          3HD2      LEU  43  -0.266  26.491  -6.188
  352   2HD2  LEU  43          2HD2      LEU  43  -0.933  27.484  -7.505
  353   3HD2  LEU  43          1HD2      LEU  43   0.625  27.919  -6.766
  354    H    HIS  44           H        HIS  44   0.332  29.791  -1.153
  355    HA   HIS  44           HA       HIS  44   0.491  29.306   1.061
  356   1HB   HIS  44          1HB       HIS  44  -1.868  27.412   0.826
  357   2HB   HIS  44          2HB       HIS  44  -1.234  28.203   2.277
  358    HD1  HIS  44           HD1      HIS  44  -3.748  28.602  -0.383
  359    HD2  HIS  44           HD2      HIS  44  -1.665  31.138   2.213
  360    HE1  HIS  44           HE1      HIS  44  -4.980  30.827  -0.326
  361    H    TYR  45           H        TYR  45   1.807  27.976   2.146
  362    HA   TYR  45           HA       TYR  45   2.461  25.345   0.897
  363   1HB   TYR  45          1HB       TYR  45   4.262  27.011   0.850
  364   2HB   TYR  45          2HB       TYR  45   4.094  27.282   2.587
  365    HD1  TYR  45           HD2      TYR  45   4.023  23.906   0.976
  366    HD2  TYR  45           HD1      TYR  45   6.353  26.770   3.185
  367    HE1  TYR  45           HE2      TYR  45   5.759  22.193   1.362
  368    HE2  TYR  45           HE1      TYR  45   8.086  25.040   3.579
  369    HH   TYR  45           HH       TYR  45   7.748  21.689   2.384
  370    H    SER  46           H        SER  46   1.167  23.893   2.009
  371    HA   SER  46           HA       SER  46   0.313  24.230   4.685
  372   1HB   SER  46          1HB       SER  46   0.245  22.063   2.646
  373   2HB   SER  46          2HB       SER  46   0.074  21.546   4.342
  374    HG   SER  46           HG       SER  46  -1.592  23.109   4.541
  375    HA   PRO  47           HA       PRO  47   3.700  21.072   6.144
  376   1HB   PRO  47          2HB       PRO  47   5.801  21.162   4.079
  377   2HB   PRO  47          1HB       PRO  47   5.042  19.749   4.864
  378   1HG   PRO  47          1HG       PRO  47   4.577  20.635   2.216
  379   2HG   PRO  47          2HG       PRO  47   3.589  19.462   3.123
  380   1HD   PRO  47          2HD       PRO  47   2.952  22.237   2.407
  381   2HD   PRO  47          1HD       PRO  47   1.899  20.964   3.083
  382    H    SER  48           H        SER  48   5.451  21.786   7.438
  383    HA   SER  48           HA       SER  48   5.813  24.633   7.522
  384   1HB   SER  48          2HB       SER  48   5.798  23.073   9.498
  385   2HB   SER  48          1HB       SER  48   7.381  22.455   8.967
  386    HG   SER  48           HG       SER  48   7.555  24.153  10.509
  387    H    ALA  49           H        ALA  49   8.061  25.615   7.715
  388    HA   ALA  49           HA       ALA  49   9.423  25.417   5.238
  389   1HB   ALA  49          2HB       ALA  49  10.340  26.553   7.911
  390   2HB   ALA  49          3HB       ALA  49  11.103  26.874   6.336
  391   3HB   ALA  49          1HB       ALA  49   9.441  27.430   6.650
  392    H    VAL  50           H        VAL  50  10.375  24.268   8.522
  393    HA   VAL  50           HA       VAL  50  12.570  22.701   7.324
  394    HB   VAL  50           HB       VAL  50  13.210  22.259   9.666
  395   1HG1  VAL  50          2HG1      VAL  50  13.940  24.351   8.499
  396   2HG1  VAL  50          3HG1      VAL  50  12.545  25.202   9.205
  397   3HG1  VAL  50          1HG1      VAL  50  13.819  24.551  10.263
  398   1HG2  VAL  50          1HG2      VAL  50  10.726  23.900  10.354
  399   2HG2  VAL  50          3HG2      VAL  50  10.978  22.175  10.705
  400   3HG2  VAL  50          2HG2      VAL  50  11.979  23.401  11.511
  401    H    ALA  51           H        ALA  51  12.677  20.456   7.349
  402    HA   ALA  51           HA       ALA  51  10.146  19.062   7.300
  403   1HB   ALA  51          1HB       ALA  51  13.021  18.049   7.222
  404   2HB   ALA  51          3HB       ALA  51  11.574  17.086   6.842
  405   3HB   ALA  51          2HB       ALA  51  12.019  18.467   5.812
  406    H    ARG  52           H        ARG  52  13.025  19.028   9.462
  407    HA   ARG  52           HA       ARG  52  11.320  18.323  11.741
  408   1HB   ARG  52          1HB       ARG  52  12.011  16.145  10.542
  409   2HB   ARG  52          2HB       ARG  52  13.672  16.527  11.046
  410   1HG   ARG  52          1HG       ARG  52  12.536  16.833  13.436
  411   2HG   ARG  52          2HG       ARG  52  11.263  15.814  12.731
  412   1HD   ARG  52          2HD       ARG  52  12.904  14.395  13.876
  413   2HD   ARG  52          1HD       ARG  52  12.992  14.118  12.126
  414    HE   ARG  52           HE       ARG  52  15.163  14.898  12.134
  415   1HH1  ARG  52          2HH1      ARG  52  13.545  15.919  15.118
  416   2HH1  ARG  52          1HH1      ARG  52  14.978  16.636  15.809
  417   1HH2  ARG  52          2HH2      ARG  52  17.037  15.895  13.034
  418   2HH2  ARG  52          1HH2      ARG  52  16.964  16.643  14.611
  419    H    SER  53           H        SER  53  12.517  20.718  11.325
  420    HA   SER  53           HA       SER  53  14.055  22.230  12.113
  421   1HB   SER  53          1HB       SER  53  14.163  20.268  14.445
  422   2HB   SER  53          2HB       SER  53  14.609  21.991  14.488
  423    HG   SER  53           HG       SER  53  12.460  21.601  15.213
  424    H    LEU  54           H        LEU  54  15.206  20.597  10.228
  425    HA   LEU  54           HA       LEU  54  17.560  19.245  11.116
  426   1HB   LEU  54          1HB       LEU  54  16.165  19.339   8.785
  427   2HB   LEU  54          2HB       LEU  54  17.460  20.485   8.384
  428    HG   LEU  54           HG       LEU  54  18.174  18.300   7.660
  429   1HD1  LEU  54          3HD1      LEU  54  19.850  19.767   8.894
  430   2HD1  LEU  54          1HD1      LEU  54  19.578  18.743  10.325
  431   3HD1  LEU  54          2HD1      LEU  54  20.248  18.034   8.838
  432   1HD2  LEU  54          2HD2      LEU  54  16.566  17.046   9.165
  433   2HD2  LEU  54          3HD2      LEU  54  18.189  16.330   9.051
  434   3HD2  LEU  54          1HD2      LEU  54  17.730  17.263  10.491
  435    H    LYS  55           H        LYS  55  17.048  22.492   9.628
  436    HA   LYS  55           HA       LYS  55  18.336  24.381   9.615
  437   1HB   LYS  55          1HB       LYS  55  19.195  23.296  12.339
  438   2HB   LYS  55          2HB       LYS  55  19.461  24.957  11.759
  439   1HG   LYS  55          2HG       LYS  55  17.105  25.412  11.681
  440   2HG   LYS  55          1HG       LYS  55  16.694  23.694  11.886
  441   1HD   LYS  55          1HD       LYS  55  16.366  24.901  14.004
  442   2HD   LYS  55          2HD       LYS  55  17.691  23.723  14.162
  443   1HE   LYS  55          2HE       LYS  55  19.360  25.478  13.902
  444   2HE   LYS  55          1HE       LYS  55  18.106  26.677  13.518
  445   1HZ   LYS  55          3HZ       LYS  55  18.407  25.267  16.079
  446   2HZ   LYS  55          2HZ       LYS  55  18.833  26.834  15.784
  447   3HZ   LYS  55          1HZ       LYS  55  17.246  26.385  15.726
  448    H    VAL  56           H        VAL  56  21.031  23.748  11.486
  449    HA   VAL  56           HA       VAL  56  22.603  22.201   9.619
  450    HB   VAL  56           HB       VAL  56  22.434  24.354   8.375
  451   1HG1  VAL  56          3HG1      VAL  56  22.115  25.830  10.371
  452   2HG1  VAL  56          2HG1      VAL  56  23.817  25.555  10.817
  453   3HG1  VAL  56          1HG1      VAL  56  23.420  26.400   9.303
  454   1HG2  VAL  56          3HG2      VAL  56  24.509  22.943   8.299
  455   2HG2  VAL  56          2HG2      VAL  56  24.823  24.671   8.022
  456   3HG2  VAL  56          1HG2      VAL  56  25.195  23.943   9.601
   
  No H/Q in entry =         456
  Start of MODEL          11
 Raw file had  466 H/Q atoms
  Start of MODEL   11
    1   1H    MET   1          2H        MET   1  -0.193  20.096  -1.530
    2   2H    MET   1          1H        MET   1  -0.849  21.593  -1.721
    3   3H    MET   1          3H        MET   1   0.734  21.335  -2.111
    4    HA   MET   1           HA       MET   1   0.641  22.485  -0.042
    5   1HB   MET   1          2HB       MET   1  -1.454  20.422   0.477
    6   2HB   MET   1          1HB       MET   1  -0.402  20.850   1.844
    7   1HG   MET   1          2HG       MET   1  -2.355  22.304   1.848
    8   2HG   MET   1          1HG       MET   1  -0.902  23.246   1.488
    9   1HE   MET   1          3HE       MET   1  -4.302  21.884   0.315
   10   2HE   MET   1          1HE       MET   1  -4.327  22.199  -1.436
   11   3HE   MET   1          2HE       MET   1  -3.260  20.939  -0.777
   12    H    ALA   2           H        ALA   2   2.744  22.276   0.548
   13    HA   ALA   2           HA       ALA   2   3.660  19.827   1.791
   14   1HB   ALA   2          3HB       ALA   2   3.868  19.143  -0.566
   15   2HB   ALA   2          2HB       ALA   2   4.836  20.590  -0.912
   16   3HB   ALA   2          1HB       ALA   2   5.470  19.340   0.179
   17    H    THR   3           H        THR   3   5.504  22.264  -0.139
   18    HA   THR   3           HA       THR   3   6.192  24.020   1.959
   19    HB   THR   3           HB       THR   3   7.257  22.166   3.123
   20    HG1  THR   3           HG1      THR   3   9.348  22.968   3.177
   21   1HG2  THR   3          1HG2      THR   3   7.517  20.706   1.044
   22   2HG2  THR   3          2HG2      THR   3   8.961  21.668   0.658
   23   3HG2  THR   3          3HG2      THR   3   8.904  20.713   2.153
   24    H    ILE   4           H        ILE   4   7.447  22.198  -0.869
   25    HA   ILE   4           HA       ILE   4   8.182  24.768  -2.137
   26    HB   ILE   4           HB       ILE   4  10.106  23.713  -0.751
   27   1HG1  ILE   4          1HG1      ILE   4  10.445  24.324  -3.728
   28   2HG1  ILE   4          2HG1      ILE   4  10.429  25.509  -2.401
   29   1HG2  ILE   4          2HG2      ILE   4   9.563  21.374  -1.707
   30   2HG2  ILE   4          3HG2      ILE   4  10.354  21.924  -3.203
   31   3HG2  ILE   4          1HG2      ILE   4  11.273  21.850  -1.684
   32   1HD1  ILE   4          2HD1      ILE   4  12.417  24.338  -1.403
   33   2HD1  ILE   4          1HD1      ILE   4  12.459  23.288  -2.838
   34   3HD1  ILE   4          3HD1      ILE   4  12.743  25.033  -3.010
   35    H    LYS   5           H        LYS   5   7.218  21.416  -2.316
   36    HA   LYS   5           HA       LYS   5   7.795  20.602  -4.875
   37   1HB   LYS   5          1HB       LYS   5   6.752  19.130  -3.296
   38   2HB   LYS   5          2HB       LYS   5   5.361  20.207  -3.104
   39   1HG   LYS   5          2HG       LYS   5   4.765  18.267  -4.490
   40   2HG   LYS   5          1HG       LYS   5   4.659  19.764  -5.432
   41   1HD   LYS   5          1HD       LYS   5   5.762  17.972  -6.735
   42   2HD   LYS   5          2HD       LYS   5   6.897  19.301  -6.422
   43   1HE   LYS   5          1HE       LYS   5   8.020  18.064  -4.700
   44   2HE   LYS   5          2HE       LYS   5   6.718  16.858  -4.616
   45   1HZ   LYS   5          2HZ       LYS   5   8.518  17.277  -6.899
   46   2HZ   LYS   5          1HZ       LYS   5   8.618  16.048  -5.804
   47   3HZ   LYS   5          3HZ       LYS   5   7.317  16.149  -6.812
   48    H    ASP   6           H        ASP   6   4.551  22.010  -4.069
   49    HA   ASP   6           HA       ASP   6   3.851  22.303  -6.813
   50   1HB   ASP   6          1HB       ASP   6   2.710  23.719  -4.371
   51   2HB   ASP   6          2HB       ASP   6   1.953  23.645  -5.968
   52    H    VAL   7           H        VAL   7   5.268  24.606  -4.454
   53    HA   VAL   7           HA       VAL   7   4.991  26.980  -5.896
   54    HB   VAL   7           HB       VAL   7   6.947  25.911  -3.882
   55   1HG1  VAL   7          1HG1      VAL   7   7.304  28.515  -5.438
   56   2HG1  VAL   7          3HG1      VAL   7   8.131  28.130  -3.914
   57   3HG1  VAL   7          2HG1      VAL   7   8.451  27.155  -5.358
   58   1HG2  VAL   7          1HG2      VAL   7   4.659  26.914  -3.383
   59   2HG2  VAL   7          3HG2      VAL   7   6.024  27.698  -2.550
   60   3HG2  VAL   7          2HG2      VAL   7   5.292  28.465  -3.980
   61    H    ALA   8           H        ALA   8   7.596  24.498  -6.174
   62    HA   ALA   8           HA       ALA   8   9.264  25.850  -7.961
   63   1HB   ALA   8          1HB       ALA   8   9.814  23.710  -6.859
   64   2HB   ALA   8          2HB       ALA   8   8.603  22.876  -7.860
   65   3HB   ALA   8          3HB       ALA   8  10.041  23.596  -8.619
   66    H    LYS   9           H        LYS   9   6.726  23.437  -8.879
   67    HA   LYS   9           HA       LYS   9   6.957  24.068 -11.670
   68   1HB   LYS   9          1HB       LYS   9   4.839  22.599 -10.059
   69   2HB   LYS   9          2HB       LYS   9   4.869  22.683 -11.838
   70   1HG   LYS   9          2HG       LYS   9   7.245  21.765 -11.747
   71   2HG   LYS   9          1HG       LYS   9   6.995  21.480 -10.006
   72   1HD   LYS   9          2HD       LYS   9   5.042  20.041 -10.515
   73   2HD   LYS   9          1HD       LYS   9   5.270  20.340 -12.255
   74   1HE   LYS   9          1HE       LYS   9   7.573  19.359 -12.076
   75   2HE   LYS   9          2HE       LYS   9   7.243  18.970 -10.373
   76   1HZ   LYS   9          3HZ       LYS   9   5.415  17.612 -11.114
   77   2HZ   LYS   9          1HZ       LYS   9   5.746  17.961 -12.692
   78   3HZ   LYS   9          2HZ       LYS   9   6.831  17.107 -11.793
   79    H    ARG  10           H        ARG  10   4.999  25.434  -9.036
   80    HA   ARG  10           HA       ARG  10   2.990  26.660 -10.636
   81   1HB   ARG  10          1HB       ARG  10   2.850  26.431  -8.171
   82   2HB   ARG  10          2HB       ARG  10   4.211  27.556  -7.988
   83   1HG   ARG  10          2HG       ARG  10   2.090  28.735  -7.626
   84   2HG   ARG  10          1HG       ARG  10   2.873  29.342  -9.100
   85   1HD   ARG  10          2HD       ARG  10   0.986  27.038  -9.436
   86   2HD   ARG  10          1HD       ARG  10   0.257  28.593  -8.992
   87    HE   ARG  10           HE       ARG  10   1.438  27.871 -11.547
   88   1HH1  ARG  10          2HH2      ARG  10   0.669  30.553  -9.346
   89   2HH1  ARG  10          1HH2      ARG  10   0.662  31.756 -10.618
   90   1HH2  ARG  10          2HH1      ARG  10   1.502  29.485 -13.191
   91   2HH2  ARG  10          1HH1      ARG  10   1.109  31.145 -12.808
   92    H    ALA  11           H        ALA  11   6.176  27.844  -9.435
   93    HA   ALA  11           HA       ALA  11   5.985  30.320 -10.970
   94   1HB   ALA  11          2HB       ALA  11   8.234  28.979  -9.417
   95   2HB   ALA  11          3HB       ALA  11   8.361  30.582 -10.179
   96   3HB   ALA  11          1HB       ALA  11   7.191  30.310  -8.866
   97    H    ASN  12           H        ASN  12   6.423  27.143 -11.876
   98    HA   ASN  12           HA       ASN  12   7.174  26.105 -13.736
   99   1HB   ASN  12          1HB       ASN  12   5.898  27.940 -14.840
  100   2HB   ASN  12          2HB       ASN  12   7.380  28.912 -14.900
  101   1HD2  ASN  12          1HD2      ASN  12   7.531  25.396 -17.115
  102   2HD2  ASN  12          2HD2      ASN  12   6.915  25.373 -15.480
  103    H    VAL  13           H        VAL  13   9.056  26.340 -11.781
  104    HA   VAL  13           HA       VAL  13  11.517  26.343 -13.410
  105    HB   VAL  13           HB       VAL  13  12.750  27.605 -11.634
  106   1HG1  VAL  13          2HG1      VAL  13  11.898  28.690 -13.741
  107   2HG1  VAL  13          1HG1      VAL  13  10.472  29.228 -12.825
  108   3HG1  VAL  13          3HG1      VAL  13  12.088  29.810 -12.374
  109   1HG2  VAL  13          1HG2      VAL  13   9.946  28.223 -10.616
  110   2HG2  VAL  13          3HG2      VAL  13  11.184  27.273  -9.764
  111   3HG2  VAL  13          2HG2      VAL  13  11.439  29.008 -10.055
  112    H    SER  14           H        SER  14  13.101  24.926 -12.575
  113    HA   SER  14           HA       SER  14  12.102  22.701 -11.103
  114   1HB   SER  14          2HB       SER  14  14.952  23.580 -11.740
  115   2HB   SER  14          1HB       SER  14  14.494  21.979 -11.114
  116    HG   SER  14           HG       SER  14  13.561  23.154 -13.528
  117    H    THR  15           H        THR  15  12.769  21.927  -8.999
  118    HA   THR  15           HA       THR  15  12.529  23.789  -6.918
  119    HB   THR  15           HB       THR  15  12.159  21.314  -6.769
  120    HG1  THR  15           HG1      THR  15  13.056  21.183  -4.661
  121   1HG2  THR  15          2HG2      THR  15  14.312  20.692  -7.965
  122   2HG2  THR  15          3HG2      THR  15  15.192  21.152  -6.488
  123   3HG2  THR  15          1HG2      THR  15  14.030  19.808  -6.449
  124    H    THR  16           H        THR  16  15.435  22.667  -8.646
  125    HA   THR  16           HA       THR  16  17.419  23.570  -6.864
  126    HB   THR  16           HB       THR  16  17.618  23.780  -9.888
  127    HG1  THR  16           HG1      THR  16  18.129  21.512  -9.748
  128   1HG2  THR  16          3HG2      THR  16  19.560  24.477  -8.506
  129   2HG2  THR  16          1HG2      THR  16  19.550  22.892  -7.696
  130   3HG2  THR  16          2HG2      THR  16  19.924  23.004  -9.432
  131    H    THR  17           H        THR  17  15.593  25.312  -9.435
  132    HA   THR  17           HA       THR  17  17.002  27.776  -9.211
  133    HB   THR  17           HB       THR  17  14.074  27.450  -9.934
  134    HG1  THR  17           HG1      THR  17  16.375  26.938 -11.521
  135   1HG2  THR  17          1HG2      THR  17  16.311  29.289 -10.905
  136   2HG2  THR  17          2HG2      THR  17  14.649  29.269 -11.544
  137   3HG2  THR  17          3HG2      THR  17  14.947  29.754  -9.859
  138    H    VAL  18           H        VAL  18  14.127  26.442  -7.519
  139    HA   VAL  18           HA       VAL  18  13.497  28.832  -6.083
  140    HB   VAL  18           HB       VAL  18  12.998  25.922  -5.311
  141   1HG1  VAL  18          1HG1      VAL  18  11.739  28.558  -4.446
  142   2HG1  VAL  18          3HG1      VAL  18  11.045  26.962  -4.092
  143   3HG1  VAL  18          2HG1      VAL  18  12.630  27.410  -3.421
  144   1HG2  VAL  18          1HG2      VAL  18  11.380  27.907  -6.970
  145   2HG2  VAL  18          2HG2      VAL  18  12.085  26.373  -7.532
  146   3HG2  VAL  18          3HG2      VAL  18  10.752  26.360  -6.358
  147    H    SER  19           H        SER  19  15.694  26.071  -5.432
  148    HA   SER  19           HA       SER  19  16.350  26.664  -2.759
  149   1HB   SER  19          2HB       SER  19  17.004  24.625  -4.136
  150   2HB   SER  19          1HB       SER  19  18.280  25.627  -4.869
  151    HG   SER  19           HG       SER  19  17.934  25.056  -2.109
  152    H    HIS  20           H        HIS  20  17.563  28.071  -5.828
  153    HA   HIS  20           HA       HIS  20  19.727  29.545  -4.727
  154   1HB   HIS  20          2HB       HIS  20  17.956  30.262  -7.091
  155   2HB   HIS  20          1HB       HIS  20  19.574  30.897  -6.761
  156    HD1  HIS  20           HD1      HIS  20  19.157  29.517  -9.448
  157    HD2  HIS  20           HD2      HIS  20  20.325  27.463  -5.997
  158    HE1  HIS  20           HE1      HIS  20  20.311  27.371 -10.182
  159    H    VAL  21           H        VAL  21  16.236  30.172  -4.874
  160    HA   VAL  21           HA       VAL  21  16.459  32.963  -4.121
  161    HB   VAL  21           HB       VAL  21  14.120  31.005  -4.119
  162   1HG1  VAL  21          3HG1      VAL  21  14.248  34.002  -3.616
  163   2HG1  VAL  21          1HG1      VAL  21  12.754  33.150  -4.064
  164   3HG1  VAL  21          2HG1      VAL  21  13.585  32.746  -2.549
  165   1HG2  VAL  21          3HG2      VAL  21  15.036  33.182  -6.041
  166   2HG2  VAL  21          2HG2      VAL  21  14.995  31.432  -6.353
  167   3HG2  VAL  21          1HG2      VAL  21  13.478  32.335  -6.150
  168    H    ILE  22           H        ILE  22  15.835  29.881  -2.379
  169    HA   ILE  22           HA       ILE  22  14.953  30.861   0.061
  170    HB   ILE  22           HB       ILE  22  16.766  28.492  -0.544
  171   1HG1  ILE  22          2HG1      ILE  22  13.768  28.730   0.021
  172   2HG1  ILE  22          1HG1      ILE  22  14.491  28.507  -1.585
  173   1HG2  ILE  22          2HG2      ILE  22  15.231  29.190   2.005
  174   2HG2  ILE  22          1HG2      ILE  22  16.061  27.649   1.695
  175   3HG2  ILE  22          3HG2      ILE  22  17.002  29.145   1.834
  176   1HD1  ILE  22          3HD1      ILE  22  15.629  26.401  -0.567
  177   2HD1  ILE  22          1HD1      ILE  22  14.435  26.566   0.742
  178   3HD1  ILE  22          2HD1      ILE  22  13.889  26.316  -0.930
  179    H    ASN  23           H        ASN  23  18.431  30.276  -0.827
  180    HA   ASN  23           HA       ASN  23  19.157  31.973   1.519
  181   1HB   ASN  23          1HB       ASN  23  21.285  30.875   1.500
  182   2HB   ASN  23          2HB       ASN  23  20.035  29.619   1.382
  183   1HD2  ASN  23          1HD2      ASN  23  20.861  28.649  -1.967
  184   2HD2  ASN  23          2HD2      ASN  23  19.607  28.653  -0.746
  185    H    LYS  24           H        LYS  24  18.361  32.647  -1.490
  186    HA   LYS  24           HA       LYS  24  19.031  34.120  -3.121
  187   1HB   LYS  24          2HB       LYS  24  20.039  35.459  -0.580
  188   2HB   LYS  24          1HB       LYS  24  19.998  36.264  -2.163
  189   1HG   LYS  24          1HG       LYS  24  17.488  35.474  -2.218
  190   2HG   LYS  24          2HG       LYS  24  17.686  35.309  -0.456
  191   1HD   LYS  24          2HD       LYS  24  18.338  37.654  -0.259
  192   2HD   LYS  24          1HD       LYS  24  18.360  37.837  -2.028
  193   1HE   LYS  24          1HE       LYS  24  15.869  37.087  -1.928
  194   2HE   LYS  24          2HE       LYS  24  15.973  37.456  -0.193
  195   1HZ   LYS  24          3HZ       LYS  24  16.626  39.344  -2.358
  196   2HZ   LYS  24          2HZ       LYS  24  15.194  39.309  -1.541
  197   3HZ   LYS  24          1HZ       LYS  24  16.589  39.672  -0.740
  198    H    THR  25           H        THR  25  20.624  32.088  -3.507
  199    HA   THR  25           HA       THR  25  23.431  32.621  -3.066
  200    HB   THR  25           HB       THR  25  22.661  30.769  -5.266
  201    HG1  THR  25           HG1      THR  25  21.803  30.381  -2.594
  202   1HG2  THR  25          2HG2      THR  25  24.913  30.869  -4.204
  203   2HG2  THR  25          3HG2      THR  25  24.179  30.421  -2.645
  204   3HG2  THR  25          1HG2      THR  25  24.148  29.274  -4.007
  205    H    ARG  26           H        ARG  26  21.567  32.370  -6.163
  206    HA   ARG  26           HA       ARG  26  23.564  34.141  -7.447
  207   1HB   ARG  26          2HB       ARG  26  21.274  32.446  -8.527
  208   2HB   ARG  26          1HB       ARG  26  22.322  33.476  -9.533
  209   1HG   ARG  26          2HG       ARG  26  24.316  32.218  -8.680
  210   2HG   ARG  26          1HG       ARG  26  23.220  31.139  -7.785
  211   1HD   ARG  26          1HD       ARG  26  22.137  30.458  -9.895
  212   2HD   ARG  26          2HD       ARG  26  23.161  31.590 -10.802
  213    HE   ARG  26           HE       ARG  26  24.937  30.103 -10.670
  214   1HH1  ARG  26          1HH1      ARG  26  22.458  29.178  -8.317
  215   2HH1  ARG  26          2HH1      ARG  26  23.104  27.576  -8.059
  216   1HH2  ARG  26          2HH2      ARG  26  25.796  27.990 -10.315
  217   2HH2  ARG  26          1HH2      ARG  26  25.036  26.917  -9.161
  218    H    PHE  27           H        PHE  27  23.162  36.251  -7.871
  219    HA   PHE  27           HA       PHE  27  20.654  37.402  -6.966
  220   1HB   PHE  27          1HB       PHE  27  23.290  38.295  -7.304
  221   2HB   PHE  27          2HB       PHE  27  22.362  39.181  -8.524
  222    HD1  PHE  27           HD2      PHE  27  20.271  40.458  -7.776
  223    HD2  PHE  27           HD1      PHE  27  23.176  38.890  -5.007
  224    HE1  PHE  27           HE2      PHE  27  19.425  41.993  -6.015
  225    HE2  PHE  27           HE1      PHE  27  22.323  40.422  -3.246
  226    HZ   PHE  27           HZ       PHE  27  20.448  41.973  -3.750
  227    H    VAL  28           H        VAL  28  18.876  37.227  -8.130
  228    HA   VAL  28           HA       VAL  28  19.076  37.323 -11.105
  229    HB   VAL  28           HB       VAL  28  16.777  36.202 -10.945
  230   1HG1  VAL  28          2HG1      VAL  28  18.857  34.987 -11.516
  231   2HG1  VAL  28          1HG1      VAL  28  19.193  34.746  -9.785
  232   3HG1  VAL  28          3HG1      VAL  28  17.774  33.976 -10.532
  233   1HG2  VAL  28          1HG2      VAL  28  16.336  36.787  -8.558
  234   2HG2  VAL  28          3HG2      VAL  28  16.269  35.032  -8.838
  235   3HG2  VAL  28          2HG2      VAL  28  17.694  35.747  -8.066
  236    H    ALA  29           H        ALA  29  19.276  39.701  -9.685
  237    HA   ALA  29           HA       ALA  29  18.415  41.802  -9.534
  238   1HB   ALA  29          2HB       ALA  29  18.225  41.362 -11.995
  239   2HB   ALA  29          3HB       ALA  29  16.537  40.864 -11.737
  240   3HB   ALA  29          1HB       ALA  29  17.034  42.536 -11.389
  241    H    GLU  30           H        GLU  30  17.060  39.548  -7.956
  242    HA   GLU  30           HA       GLU  30  15.431  39.391  -6.377
  243   1HB   GLU  30          1HB       GLU  30  15.109  42.328  -7.022
  244   2HB   GLU  30          2HB       GLU  30  14.150  41.509  -5.775
  245   1HG   GLU  30          2HG       GLU  30  17.194  41.498  -5.866
  246   2HG   GLU  30          1HG       GLU  30  16.231  42.624  -4.891
  247    H    GLU  31           H        GLU  31  14.435  40.586  -9.549
  248    HA   GLU  31           HA       GLU  31  11.685  40.580  -9.375
  249   1HB   GLU  31          2HB       GLU  31  13.079  41.145 -11.378
  250   2HB   GLU  31          1HB       GLU  31  13.341  39.409 -11.650
  251   1HG   GLU  31          1HG       GLU  31  10.937  39.050 -11.929
  252   2HG   GLU  31          2HG       GLU  31  10.602  40.743 -11.511
  253    H    THR  32           H        THR  32  13.688  37.695 -10.265
  254    HA   THR  32           HA       THR  32  11.474  35.898 -10.214
  255    HB   THR  32           HB       THR  32  14.387  35.187  -9.752
  256    HG1  THR  32           HG1      THR  32  14.496  35.178 -12.039
  257   1HG2  THR  32          1HG2      THR  32  12.069  33.774 -11.140
  258   2HG2  THR  32          3HG2      THR  32  13.734  33.156 -11.024
  259   3HG2  THR  32          2HG2      THR  32  12.752  33.344  -9.553
  260    H    ARG  33           H        ARG  33  13.867  36.857  -7.701
  261    HA   ARG  33           HA       ARG  33  13.226  34.880  -5.785
  262   1HB   ARG  33          1HB       ARG  33  14.243  37.731  -5.546
  263   2HB   ARG  33          2HB       ARG  33  14.039  36.675  -4.134
  264   1HG   ARG  33          1HG       ARG  33  15.648  35.109  -4.935
  265   2HG   ARG  33          2HG       ARG  33  15.630  35.797  -6.570
  266   1HD   ARG  33          1HD       ARG  33  16.768  37.781  -5.847
  267   2HD   ARG  33          2HD       ARG  33  16.520  37.381  -4.135
  268    HE   ARG  33           HE       ARG  33  17.989  35.271  -5.335
  269   1HH1  ARG  33          2HH2      ARG  33  18.347  38.705  -4.484
  270   2HH1  ARG  33          1HH2      ARG  33  20.094  38.618  -4.364
  271   1HH2  ARG  33          2HH1      ARG  33  20.287  35.177  -5.114
  272   2HH2  ARG  33          1HH1      ARG  33  21.146  36.538  -4.424
  273    H    ASN  34           H        ASN  34  11.892  38.224  -6.146
  274    HA   ASN  34           HA       ASN  34  10.009  37.954  -4.027
  275   1HB   ASN  34          2HB       ASN  34   9.717  40.132  -4.438
  276   2HB   ASN  34          1HB       ASN  34  10.885  39.986  -5.761
  277   1HD2  ASN  34          1HD2      ASN  34   8.501  40.242  -8.365
  278   2HD2  ASN  34          2HD2      ASN  34  10.122  39.731  -7.940
  279    H    ALA  35           H        ALA  35   9.822  37.230  -7.540
  280    HA   ALA  35           HA       ALA  35   7.021  36.765  -7.655
  281   1HB   ALA  35          3HB       ALA  35   8.484  36.983  -9.639
  282   2HB   ALA  35          1HB       ALA  35   9.266  35.438  -9.231
  283   3HB   ALA  35          2HB       ALA  35   7.547  35.472  -9.684
  284    H    VAL  36           H        VAL  36   9.779  34.610  -6.821
  285    HA   VAL  36           HA       VAL  36   8.195  32.243  -6.514
  286    HB   VAL  36           HB       VAL  36  10.933  33.138  -5.563
  287   1HG1  VAL  36          3HG1      VAL  36   9.491  30.520  -4.951
  288   2HG1  VAL  36          1HG1      VAL  36  11.249  30.750  -4.802
  289   3HG1  VAL  36          2HG1      VAL  36  10.143  31.688  -3.776
  290   1HG2  VAL  36          2HG2      VAL  36  10.584  32.523  -7.953
  291   2HG2  VAL  36          3HG2      VAL  36  11.652  31.365  -7.127
  292   3HG2  VAL  36          1HG2      VAL  36   9.954  30.939  -7.442
  293    H    TRP  37           H        TRP  37   9.299  34.787  -4.180
  294    HA   TRP  37           HA       TRP  37   8.148  33.558  -1.886
  295   1HB   TRP  37          2HB       TRP  37   8.726  36.460  -2.542
  296   2HB   TRP  37          1HB       TRP  37   8.204  35.896  -0.948
  297    HD1  TRP  37           HD1      TRP  37  11.167  37.039  -2.330
  298    HE1  TRP  37           HE1      TRP  37  13.316  35.973  -1.404
  299    HE3  TRP  37           HE3      TRP  37   9.133  32.863  -0.156
  300    HZ2  TRP  37           HZ2      TRP  37  14.047  33.636   0.063
  301    HZ3  TRP  37           HZ3      TRP  37  10.602  31.238   0.993
  302    HH2  TRP  37           HH2      TRP  37  13.051  31.611   1.098
  303    H    ALA  38           H        ALA  38   6.770  35.629  -4.439
  304    HA   ALA  38           HA       ALA  38   4.261  36.092  -3.112
  305   1HB   ALA  38          1HB       ALA  38   5.111  37.429  -5.041
  306   2HB   ALA  38          2HB       ALA  38   4.897  36.011  -6.093
  307   3HB   ALA  38          3HB       ALA  38   3.483  36.771  -5.331
  308    H    ALA  39           H        ALA  39   5.488  33.594  -5.401
  309    HA   ALA  39           HA       ALA  39   3.068  32.177  -5.765
  310   1HB   ALA  39          3HB       ALA  39   5.182  31.869  -7.075
  311   2HB   ALA  39          2HB       ALA  39   5.886  31.037  -5.669
  312   3HB   ALA  39          1HB       ALA  39   4.476  30.341  -6.498
  313    H    ILE  40           H        ILE  40   5.551  32.013  -3.185
  314    HA   ILE  40           HA       ILE  40   4.669  29.695  -1.859
  315    HB   ILE  40           HB       ILE  40   6.341  32.053  -1.267
  316   1HG1  ILE  40          2HG1      ILE  40   7.548  30.198   0.082
  317   2HG1  ILE  40          1HG1      ILE  40   6.348  29.089  -0.613
  318   1HG2  ILE  40          2HG2      ILE  40   4.815  30.732   1.010
  319   2HG2  ILE  40          1HG2      ILE  40   6.304  31.675   1.225
  320   3HG2  ILE  40          3HG2      ILE  40   4.849  32.459   0.587
  321   1HD1  ILE  40          3HD1      ILE  40   7.016  29.859  -2.895
  322   2HD1  ILE  40          1HD1      ILE  40   8.255  30.896  -2.156
  323   3HD1  ILE  40          2HD1      ILE  40   8.372  29.131  -2.001
  324    H    LYS  41           H        LYS  41   3.513  33.098  -1.549
  325    HA   LYS  41           HA       LYS  41   1.404  32.195   0.338
  326   1HB   LYS  41          1HB       LYS  41   2.559  34.858  -0.527
  327   2HB   LYS  41          2HB       LYS  41   0.977  34.790   0.280
  328   1HG   LYS  41          2HG       LYS  41   1.876  34.234   2.297
  329   2HG   LYS  41          1HG       LYS  41   3.095  33.163   1.578
  330   1HD   LYS  41          2HD       LYS  41   4.404  35.154   0.847
  331   2HD   LYS  41          1HD       LYS  41   3.198  36.215   1.617
  332   1HE   LYS  41          1HE       LYS  41   4.811  34.070   3.074
  333   2HE   LYS  41          2HE       LYS  41   5.231  35.795   3.041
  334   1HZ   LYS  41          3HZ       LYS  41   3.088  36.243   4.047
  335   2HZ   LYS  41          1HZ       LYS  41   2.770  34.628   4.142
  336   3HZ   LYS  41          2HZ       LYS  41   4.022  35.276   5.000
  337    H    GLU  42           H        GLU  42   1.584  31.873  -2.865
  338    HA   GLU  42           HA       GLU  42  -0.838  33.293  -3.673
  339   1HB   GLU  42          2HB       GLU  42   1.075  32.783  -5.219
  340   2HB   GLU  42          1HB       GLU  42   0.671  31.056  -5.088
  341   1HG   GLU  42          2HG       GLU  42  -1.634  31.579  -5.926
  342   2HG   GLU  42          1HG       GLU  42  -1.146  33.274  -6.133
  343    H    LEU  43           H        LEU  43   0.142  29.890  -3.029
  344    HA   LEU  43           HA       LEU  43  -2.699  29.072  -3.007
  345   1HB   LEU  43          2HB       LEU  43  -0.025  27.659  -3.100
  346   2HB   LEU  43          1HB       LEU  43  -1.443  26.783  -2.491
  347    HG   LEU  43           HG       LEU  43  -1.001  26.465  -4.954
  348   1HD1  LEU  43          2HD1      LEU  43  -3.272  26.212  -3.841
  349   2HD1  LEU  43          3HD1      LEU  43  -3.659  27.850  -4.416
  350   3HD1  LEU  43          1HD1      LEU  43  -3.317  26.557  -5.585
  351   1HD2  LEU  43          2HD2      LEU  43  -0.280  28.864  -5.348
  352   2HD2  LEU  43          3HD2      LEU  43  -1.458  28.234  -6.522
  353   3HD2  LEU  43          1HD2      LEU  43  -1.994  29.329  -5.228
  354    H    HIS  44           H        HIS  44  -0.251  27.609  -0.942
  355    HA   HIS  44           HA       HIS  44  -1.122  28.933   1.513
  356   1HB   HIS  44          2HB       HIS  44  -1.842  26.023   0.956
  357   2HB   HIS  44          1HB       HIS  44  -1.967  26.813   2.537
  358    HD1  HIS  44           HD1      HIS  44  -3.697  28.982   2.588
  359    HD2  HIS  44           HD2      HIS  44  -4.146  26.222  -0.531
  360    HE1  HIS  44           HE1      HIS  44  -6.016  29.309   1.594
  361    H    TYR  45           H        TYR  45   1.343  28.274  -0.115
  362    HA   TYR  45           HA       TYR  45   2.749  26.216   1.415
  363   1HB   TYR  45          2HB       TYR  45   3.229  27.911  -0.986
  364   2HB   TYR  45          1HB       TYR  45   4.666  27.464  -0.054
  365    HD1  TYR  45           HD1      TYR  45   1.485  25.578  -0.769
  366    HD2  TYR  45           HD2      TYR  45   5.754  25.758  -1.232
  367    HE1  TYR  45           HE1      TYR  45   1.485  23.314  -1.752
  368    HE2  TYR  45           HE2      TYR  45   5.735  23.495  -2.207
  369    HH   TYR  45           HH       TYR  45   2.741  21.676  -2.760
  370    H    SER  46           H        SER  46   4.639  26.579   2.676
  371    HA   SER  46           HA       SER  46   5.472  29.219   3.478
  372   1HB   SER  46          2HB       SER  46   4.726  28.935   5.885
  373   2HB   SER  46          1HB       SER  46   3.418  29.277   4.730
  374    HG   SER  46           HG       SER  46   2.896  27.545   6.126
  375    HA   PRO  47           HA       PRO  47   8.340  25.582   3.823
  376   1HB   PRO  47          1HB       PRO  47  10.496  27.353   3.047
  377   2HB   PRO  47          2HB       PRO  47   9.799  25.986   2.136
  378   1HG   PRO  47          2HG       PRO  47   9.452  28.831   1.662
  379   2HG   PRO  47          1HG       PRO  47   8.806  27.463   0.712
  380   1HD   PRO  47          2HD       PRO  47   7.366  29.229   2.468
  381   2HD   PRO  47          1HD       PRO  47   6.731  27.818   1.574
  382    H    SER  48           H        SER  48   9.051  29.015   4.695
  383    HA   SER  48           HA       SER  48  10.721  28.210   6.947
  384   1HB   SER  48          2HB       SER  48   9.591  30.942   6.203
  385   2HB   SER  48          1HB       SER  48  10.951  30.610   7.304
  386    HG   SER  48           HG       SER  48  12.019  29.641   5.492
  387    H    ALA  49           H        ALA  49   8.440  26.871   7.409
  388    HA   ALA  49           HA       ALA  49   7.540  27.947   9.926
  389   1HB   ALA  49          2HB       ALA  49   6.134  29.328   8.407
  390   2HB   ALA  49          3HB       ALA  49   5.512  27.843   7.654
  391   3HB   ALA  49          1HB       ALA  49   5.155  28.188   9.361
  392    H    VAL  50           H        VAL  50   6.443  25.816   7.210
  393    HA   VAL  50           HA       VAL  50   5.430  23.787   8.948
  394    HB   VAL  50           HB       VAL  50   4.781  24.139   6.551
  395   1HG1  VAL  50          1HG1      VAL  50   7.250  24.433   5.811
  396   2HG1  VAL  50          3HG1      VAL  50   7.330  22.656   5.821
  397   3HG1  VAL  50          2HG1      VAL  50   6.181  23.488   4.751
  398   1HG2  VAL  50          1HG2      VAL  50   4.303  22.014   7.741
  399   2HG2  VAL  50          2HG2      VAL  50   4.613  21.741   6.010
  400   3HG2  VAL  50          3HG2      VAL  50   5.873  21.367   7.210
  401    H    ALA  51           H        ALA  51   6.424  22.197  10.052
  402    HA   ALA  51           HA       ALA  51   8.878  20.954   9.211
  403   1HB   ALA  51          1HB       ALA  51   9.000  22.959  11.507
  404   2HB   ALA  51          3HB       ALA  51  10.247  21.733  11.175
  405   3HB   ALA  51          2HB       ALA  51   9.923  23.016   9.987
  406    H    ARG  52           H        ARG  52   7.160  21.892  12.248
  407    HA   ARG  52           HA       ARG  52   6.307  20.646  13.960
  408   1HB   ARG  52          2HB       ARG  52   4.991  19.800  11.871
  409   2HB   ARG  52          1HB       ARG  52   5.977  18.328  12.036
  410   1HG   ARG  52          2HG       ARG  52   5.234  18.244  14.483
  411   2HG   ARG  52          1HG       ARG  52   4.085  19.545  14.097
  412   1HD   ARG  52          2HD       ARG  52   4.222  16.831  12.708
  413   2HD   ARG  52          1HD       ARG  52   3.042  17.275  13.957
  414    HE   ARG  52           HE       ARG  52   3.035  18.062  11.139
  415   1HH1  ARG  52          1HH2      ARG  52   1.953  18.932  14.403
  416   2HH1  ARG  52          2HH2      ARG  52   0.541  19.798  13.849
  417   1HH2  ARG  52          2HH1      ARG  52   1.164  19.201  10.420
  418   2HH2  ARG  52          1HH1      ARG  52   0.115  19.989  11.577
  419    H    SER  53           H        SER  53   9.074  20.720  13.897
  420    HA   SER  53           HA       SER  53  10.269  18.104  14.019
  421   1HB   SER  53          1HB       SER  53  11.211  20.717  15.275
  422   2HB   SER  53          2HB       SER  53  12.205  19.292  14.886
  423    HG   SER  53           HG       SER  53  12.348  20.878  13.258
  424    H    LEU  54           H        LEU  54  10.619  16.753  15.757
  425    HA   LEU  54           HA       LEU  54   8.845  16.906  17.983
  426   1HB   LEU  54          1HB       LEU  54  10.068  14.949  18.811
  427   2HB   LEU  54          2HB       LEU  54   9.760  14.795  17.068
  428    HG   LEU  54           HG       LEU  54  12.224  16.077  17.096
  429   1HD1  LEU  54          1HD1      LEU  54  12.152  14.058  19.387
  430   2HD1  LEU  54          2HD1      LEU  54  13.619  14.802  18.710
  431   3HD1  LEU  54          3HD1      LEU  54  12.421  15.810  19.549
  432   1HD2  LEU  54          1HD2      LEU  54  11.644  13.081  17.115
  433   2HD2  LEU  54          2HD2      LEU  54  11.570  14.153  15.695
  434   3HD2  LEU  54          3HD2      LEU  54  13.129  13.843  16.494
  435    H    LYS  55           H        LYS  55   9.426  17.061  20.273
  436    HA   LYS  55           HA       LYS  55  11.398  19.236  20.689
  437   1HB   LYS  55          2HB       LYS  55   9.438  18.129  22.726
  438   2HB   LYS  55          1HB       LYS  55  10.201  19.732  22.682
  439   1HG   LYS  55          1HG       LYS  55   8.071  18.663  20.768
  440   2HG   LYS  55          2HG       LYS  55   7.867  19.939  21.986
  441   1HD   LYS  55          2HD       LYS  55   9.493  21.368  20.786
  442   2HD   LYS  55          1HD       LYS  55   9.733  20.092  19.573
  443   1HE   LYS  55          1HE       LYS  55   7.127  20.208  19.294
  444   2HE   LYS  55          2HE       LYS  55   7.290  21.801  20.067
  445   1HZ   LYS  55          2HZ       LYS  55   8.878  22.367  18.348
  446   2HZ   LYS  55          1HZ       LYS  55   8.656  20.898  17.621
  447   3HZ   LYS  55          3HZ       LYS  55   7.408  21.979  17.706
  448    H    VAL  56           H        VAL  56  10.529  15.956  21.862
  449    HA   VAL  56           HA       VAL  56  13.315  15.417  22.499
  450    HB   VAL  56           HB       VAL  56  12.551  16.631  24.538
  451   1HG1  VAL  56          2HG1      VAL  56  10.130  16.041  24.359
  452   2HG1  VAL  56          3HG1      VAL  56  10.526  14.360  24.788
  453   3HG1  VAL  56          1HG1      VAL  56  10.799  15.666  25.963
  454   1HG2  VAL  56          1HG2      VAL  56  14.201  14.744  24.662
  455   2HG2  VAL  56          3HG2      VAL  56  13.252  14.947  26.155
  456   3HG2  VAL  56          2HG2      VAL  56  12.856  13.636  25.018
   
  No H/Q in entry =         456
  Start of MODEL          12
 Raw file had  466 H/Q atoms
  Start of MODEL   12
    1   1H    MET   1          2H        MET   1   1.000  19.394  -5.198
    2   2H    MET   1          1H        MET   1   0.223  18.085  -4.555
    3   3H    MET   1          3H        MET   1  -0.162  19.606  -4.048
    4    HA   MET   1           HA       MET   1   1.105  18.724  -2.353
    5   1HB   MET   1          1HB       MET   1   3.375  17.759  -2.827
    6   2HB   MET   1          2HB       MET   1   2.022  16.805  -3.469
    7   1HG   MET   1          2HG       MET   1   2.823  18.730  -5.463
    8   2HG   MET   1          1HG       MET   1   4.263  17.892  -4.885
    9   1HE   MET   1          3HE       MET   1   4.766  15.411  -5.129
   10   2HE   MET   1          2HE       MET   1   3.324  15.014  -4.164
   11   3HE   MET   1          1HE       MET   1   3.614  14.187  -5.711
   12    H    ALA   2           H        ALA   2   0.921  20.997  -1.967
   13    HA   ALA   2           HA       ALA   2   2.864  22.836  -3.125
   14   1HB   ALA   2          3HB       ALA   2   0.554  23.503  -2.484
   15   2HB   ALA   2          2HB       ALA   2   0.949  23.158  -0.785
   16   3HB   ALA   2          1HB       ALA   2   1.793  24.467  -1.646
   17    H    THR   3           H        THR   3   4.574  21.144  -2.365
   18    HA   THR   3           HA       THR   3   5.597  21.964   0.322
   19    HB   THR   3           HB       THR   3   6.033  19.287  -0.995
   20    HG1  THR   3           HG1      THR   3   4.000  20.068   0.827
   21   1HG2  THR   3          1HG2      THR   3   7.555  20.014   0.875
   22   2HG2  THR   3          3HG2      THR   3   6.129  20.168   1.923
   23   3HG2  THR   3          2HG2      THR   3   6.596  18.575   1.285
   24    H    ILE   4           H        ILE   4   6.164  23.438  -1.808
   25    HA   ILE   4           HA       ILE   4   7.962  24.476  -2.748
   26    HB   ILE   4           HB       ILE   4   9.261  22.858  -0.897
   27   1HG1  ILE   4          2HG1      ILE   4  10.458  24.817  -2.899
   28   2HG1  ILE   4          1HG1      ILE   4   9.627  25.261  -1.390
   29   1HG2  ILE   4          1HG2      ILE   4   9.707  21.237  -2.857
   30   2HG2  ILE   4          2HG2      ILE   4  10.723  22.521  -3.543
   31   3HG2  ILE   4          3HG2      ILE   4  11.131  21.809  -1.968
   32   1HD1  ILE   4          1HD1      ILE   4  11.352  23.784  -0.178
   33   2HD1  ILE   4          3HD1      ILE   4  12.258  23.771  -1.713
   34   3HD1  ILE   4          2HD1      ILE   4  11.959  25.307  -0.870
   35    H    LYS   5           H        LYS   5   7.067  21.194  -3.477
   36    HA   LYS   5           HA       LYS   5   8.447  20.905  -5.959
   37   1HB   LYS   5          1HB       LYS   5   5.897  19.655  -4.851
   38   2HB   LYS   5          2HB       LYS   5   6.741  19.104  -6.315
   39   1HG   LYS   5          1HG       LYS   5   8.823  18.806  -4.910
   40   2HG   LYS   5          2HG       LYS   5   7.850  19.190  -3.470
   41   1HD   LYS   5          2HD       LYS   5   6.347  17.281  -3.980
   42   2HD   LYS   5          1HD       LYS   5   7.328  16.888  -5.412
   43   1HE   LYS   5          2HE       LYS   5   8.376  16.962  -2.543
   44   2HE   LYS   5          1HE       LYS   5   7.893  15.486  -3.405
   45   1HZ   LYS   5          3HZ       LYS   5   9.574  16.011  -5.055
   46   2HZ   LYS   5          1HZ       LYS   5  10.059  17.318  -4.173
   47   3HZ   LYS   5          2HZ       LYS   5  10.225  15.797  -3.554
   48    H    ASP   6           H        ASP   6   4.923  21.446  -5.394
   49    HA   ASP   6           HA       ASP   6   4.428  22.280  -8.093
   50   1HB   ASP   6          1HB       ASP   6   2.874  22.651  -5.500
   51   2HB   ASP   6          2HB       ASP   6   2.255  23.126  -7.093
   52    H    VAL   7           H        VAL   7   5.140  24.012  -5.062
   53    HA   VAL   7           HA       VAL   7   4.573  26.641  -5.868
   54    HB   VAL   7           HB       VAL   7   6.751  25.570  -4.034
   55   1HG1  VAL   7          1HG1      VAL   7   5.559  28.356  -4.336
   56   2HG1  VAL   7          2HG1      VAL   7   6.587  27.841  -2.979
   57   3HG1  VAL   7          3HG1      VAL   7   7.249  27.880  -4.627
   58   1HG2  VAL   7          2HG2      VAL   7   4.418  24.893  -3.436
   59   2HG2  VAL   7          1HG2      VAL   7   5.130  25.998  -2.243
   60   3HG2  VAL   7          3HG2      VAL   7   3.951  26.608  -3.425
   61    H    ALA   8           H        ALA   8   7.581  24.690  -6.290
   62    HA   ALA   8           HA       ALA   8   9.197  26.729  -7.374
   63   1HB   ALA   8          2HB       ALA   8   9.144  23.733  -7.879
   64   2HB   ALA   8          3HB       ALA   8  10.437  24.820  -8.414
   65   3HB   ALA   8          1HB       ALA   8  10.124  24.609  -6.681
   66    H    LYS   9           H        LYS   9   7.003  24.400  -9.045
   67    HA   LYS   9           HA       LYS   9   7.593  25.390 -11.677
   68   1HB   LYS   9          1HB       LYS   9   5.232  23.847 -10.519
   69   2HB   LYS   9          2HB       LYS   9   5.438  24.178 -12.251
   70   1HG   LYS   9          2HG       LYS   9   7.680  22.889 -10.672
   71   2HG   LYS   9          1HG       LYS   9   6.321  21.903 -11.250
   72   1HD   LYS   9          2HD       LYS   9   7.800  23.769 -13.138
   73   2HD   LYS   9          1HD       LYS   9   8.434  22.149 -12.782
   74   1HE   LYS   9          1HE       LYS   9   5.594  22.666 -13.769
   75   2HE   LYS   9          2HE       LYS   9   6.957  22.293 -14.845
   76   1HZ   LYS   9          1HZ       LYS   9   7.240  20.236 -13.648
   77   2HZ   LYS   9          2HZ       LYS   9   5.944  20.577 -12.686
   78   3HZ   LYS   9          3HZ       LYS   9   5.731  20.339 -14.303
   79    H    ARG  10           H        ARG  10   5.091  26.143  -9.239
   80    HA   ARG  10           HA       ARG  10   3.514  27.890 -10.810
   81   1HB   ARG  10          1HB       ARG  10   3.075  26.873  -8.484
   82   2HB   ARG  10          2HB       ARG  10   4.073  28.193  -7.836
   83   1HG   ARG  10          2HG       ARG  10   2.564  29.855  -8.870
   84   2HG   ARG  10          1HG       ARG  10   1.584  28.542  -9.566
   85   1HD   ARG  10          2HD       ARG  10   1.295  27.681  -7.164
   86   2HD   ARG  10          1HD       ARG  10   1.993  29.220  -6.628
   87    HE   ARG  10           HE       ARG  10   0.043  30.345  -7.260
   88   1HH1  ARG  10          2HH1      ARG  10   0.046  27.126  -8.730
   89   2HH1  ARG  10          1HH1      ARG  10  -1.688  27.069  -8.937
   90   1HH2  ARG  10          1HH2      ARG  10  -2.269  30.180  -7.348
   91   2HH2  ARG  10          2HH2      ARG  10  -2.993  28.874  -8.268
   92    H    ALA  11           H        ALA  11   6.544  28.366  -8.986
   93    HA   ALA  11           HA       ALA  11   6.558  31.246  -9.316
   94   1HB   ALA  11          1HB       ALA  11   7.682  30.103  -7.434
   95   2HB   ALA  11          2HB       ALA  11   8.778  29.293  -8.579
   96   3HB   ALA  11          3HB       ALA  11   8.834  31.064  -8.396
   97    H    ASN  12           H        ASN  12   8.557  28.555 -10.745
   98    HA   ASN  12           HA       ASN  12   8.510  29.826 -13.340
   99   1HB   ASN  12          1HB       ASN  12  10.103  31.324 -12.266
  100   2HB   ASN  12          2HB       ASN  12  11.058  29.951 -11.679
  101   1HD2  ASN  12          1HD2      ASN  12  11.054  30.243 -15.813
  102   2HD2  ASN  12          2HD2      ASN  12   9.550  30.199 -14.925
  103    H    VAL  13           H        VAL  13  11.415  28.118 -12.179
  104    HA   VAL  13           HA       VAL  13  10.707  25.906 -14.023
  105    HB   VAL  13           HB       VAL  13  13.218  25.379 -13.717
  106   1HG1  VAL  13          2HG1      VAL  13  12.320  28.016 -14.949
  107   2HG1  VAL  13          1HG1      VAL  13  13.847  27.180 -15.312
  108   3HG1  VAL  13          3HG1      VAL  13  12.295  26.420 -15.735
  109   1HG2  VAL  13          2HG2      VAL  13  13.349  26.882 -11.617
  110   2HG2  VAL  13          3HG2      VAL  13  14.641  27.066 -12.824
  111   3HG2  VAL  13          1HG2      VAL  13  13.322  28.254 -12.746
  112    H    SER  14           H        SER  14  13.156  24.886 -11.936
  113    HA   SER  14           HA       SER  14  11.211  23.167 -10.483
  114   1HB   SER  14          1HB       SER  14  13.043  21.556 -10.353
  115   2HB   SER  14          2HB       SER  14  12.823  22.070 -12.041
  116    HG   SER  14           HG       SER  14  15.014  22.114 -11.442
  117    H    THR  15           H        THR  15  12.608  22.218  -8.435
  118    HA   THR  15           HA       THR  15  12.431  24.209  -6.474
  119    HB   THR  15           HB       THR  15  13.596  22.549  -5.034
  120    HG1  THR  15           HG1      THR  15  15.085  21.758  -6.508
  121   1HG2  THR  15          3HG2      THR  15  11.139  22.359  -5.744
  122   2HG2  THR  15          2HG2      THR  15  11.668  21.152  -6.937
  123   3HG2  THR  15          1HG2      THR  15  11.903  20.847  -5.200
  124    H    THR  16           H        THR  16  15.092  23.470  -8.662
  125    HA   THR  16           HA       THR  16  17.295  24.364  -7.202
  126    HB   THR  16           HB       THR  16  17.304  23.337  -9.502
  127    HG1  THR  16           HG1      THR  16  19.084  24.610 -10.159
  128   1HG2  THR  16          3HG2      THR  16  15.526  24.981 -10.395
  129   2HG2  THR  16          2HG2      THR  16  16.847  26.167 -10.520
  130   3HG2  THR  16          1HG2      THR  16  16.916  24.655 -11.452
  131    H    THR  17           H        THR  17  14.890  26.337  -9.052
  132    HA   THR  17           HA       THR  17  16.220  28.830  -8.594
  133    HB   THR  17           HB       THR  17  13.419  27.984  -9.380
  134    HG1  THR  17           HG1      THR  17  15.280  28.023 -10.816
  135   1HG2  THR  17          2HG2      THR  17  14.425  30.800  -8.776
  136   2HG2  THR  17          1HG2      THR  17  13.003  30.460  -9.791
  137   3HG2  THR  17          3HG2      THR  17  13.005  29.984  -8.079
  138    H    VAL  18           H        VAL  18  13.520  27.182  -6.835
  139    HA   VAL  18           HA       VAL  18  13.087  29.240  -4.944
  140    HB   VAL  18           HB       VAL  18  12.779  26.223  -4.589
  141   1HG1  VAL  18          1HG1      VAL  18  11.660  28.642  -3.108
  142   2HG1  VAL  18          3HG1      VAL  18  10.977  27.008  -2.962
  143   3HG1  VAL  18          2HG1      VAL  18  12.646  27.318  -2.442
  144   1HG2  VAL  18          2HG2      VAL  18  10.877  28.373  -5.628
  145   2HG2  VAL  18          3HG2      VAL  18  11.540  27.007  -6.553
  146   3HG2  VAL  18          1HG2      VAL  18  10.396  26.709  -5.226
  147    H    SER  19           H        SER  19  15.307  26.414  -4.884
  148    HA   SER  19           HA       SER  19  16.339  26.841  -2.282
  149   1HB   SER  19          1HB       SER  19  17.654  25.619  -4.747
  150   2HB   SER  19          2HB       SER  19  18.231  25.444  -3.070
  151    HG   SER  19           HG       SER  19  16.886  23.700  -3.784
  152    H    HIS  20           H        HIS  20  17.447  28.038  -5.513
  153    HA   HIS  20           HA       HIS  20  19.782  29.348  -4.597
  154   1HB   HIS  20          1HB       HIS  20  17.893  29.906  -6.911
  155   2HB   HIS  20          2HB       HIS  20  19.393  30.813  -6.655
  156    HD1  HIS  20           HD1      HIS  20  19.847  29.653  -9.164
  157    HD2  HIS  20           HD2      HIS  20  20.039  27.181  -5.799
  158    HE1  HIS  20           HE1      HIS  20  21.128  27.555  -9.820
  159    H    VAL  21           H        VAL  21  16.379  30.464  -4.774
  160    HA   VAL  21           HA       VAL  21  16.930  33.178  -4.047
  161    HB   VAL  21           HB       VAL  21  14.452  31.418  -3.942
  162   1HG1  VAL  21          3HG1      VAL  21  14.786  34.346  -3.164
  163   2HG1  VAL  21          2HG1      VAL  21  13.219  33.625  -3.602
  164   3HG1  VAL  21          1HG1      VAL  21  14.103  33.031  -2.179
  165   1HG2  VAL  21          2HG2      VAL  21  15.395  32.137  -6.159
  166   2HG2  VAL  21          3HG2      VAL  21  13.774  32.794  -5.841
  167   3HG2  VAL  21          1HG2      VAL  21  15.207  33.829  -5.647
  168    H    ILE  22           H        ILE  22  15.660  30.415  -2.060
  169    HA   ILE  22           HA       ILE  22  15.669  31.901   0.381
  170    HB   ILE  22           HB       ILE  22  15.796  28.893  -0.127
  171   1HG1  ILE  22          2HG1      ILE  22  13.412  30.671   0.572
  172   2HG1  ILE  22          1HG1      ILE  22  13.823  30.205  -1.091
  173   1HG2  ILE  22          2HG2      ILE  22  15.060  30.489   2.376
  174   2HG2  ILE  22          3HG2      ILE  22  14.902  28.726   2.196
  175   3HG2  ILE  22          1HG2      ILE  22  16.510  29.476   2.173
  176   1HD1  ILE  22          2HD1      ILE  22  13.739  27.774  -0.307
  177   2HD1  ILE  22          3HD1      ILE  22  13.025  28.378   1.206
  178   3HD1  ILE  22          1HD1      ILE  22  12.178  28.629  -0.338
  179    H    ASN  23           H        ASN  23  17.986  29.445  -0.892
  180    HA   ASN  23           HA       ASN  23  19.836  29.640   1.255
  181   1HB   ASN  23          1HB       ASN  23  19.654  27.814  -0.491
  182   2HB   ASN  23          2HB       ASN  23  20.417  28.927  -1.644
  183   1HD2  ASN  23          1HD2      ASN  23  22.629  26.968   1.203
  184   2HD2  ASN  23          2HD2      ASN  23  20.888  26.812   1.102
  185    H    LYS  24           H        LYS  24  19.351  31.575  -1.676
  186    HA   LYS  24           HA       LYS  24  20.198  33.603  -2.290
  187   1HB   LYS  24          2HB       LYS  24  20.106  33.956   0.297
  188   2HB   LYS  24          1HB       LYS  24  21.870  33.739   0.234
  189   1HG   LYS  24          2HG       LYS  24  21.966  35.543  -1.526
  190   2HG   LYS  24          1HG       LYS  24  20.225  35.814  -1.273
  191   1HD   LYS  24          1HD       LYS  24  20.644  36.324   1.116
  192   2HD   LYS  24          2HD       LYS  24  22.379  36.007   0.886
  193   1HE   LYS  24          2HE       LYS  24  22.075  38.396   0.791
  194   2HE   LYS  24          1HE       LYS  24  22.401  37.838  -0.865
  195   1HZ   LYS  24          1HZ       LYS  24  19.735  38.382   0.249
  196   2HZ   LYS  24          3HZ       LYS  24  20.578  39.394  -0.744
  197   3HZ   LYS  24          2HZ       LYS  24  20.068  37.928  -1.302
  198    H    THR  25           H        THR  25  21.276  31.478  -3.501
  199    HA   THR  25           HA       THR  25  24.166  31.337  -3.204
  200    HB   THR  25           HB       THR  25  23.961  30.011  -5.364
  201    HG1  THR  25           HG1      THR  25  21.819  29.528  -5.987
  202   1HG2  THR  25          1HG2      THR  25  23.852  28.951  -3.117
  203   2HG2  THR  25          3HG2      THR  25  22.094  29.216  -3.088
  204   3HG2  THR  25          2HG2      THR  25  22.806  28.116  -4.288
  205    H    ARG  26           H        ARG  26  22.077  32.364  -5.958
  206    HA   ARG  26           HA       ARG  26  24.034  34.546  -6.531
  207   1HB   ARG  26          2HB       ARG  26  24.133  32.448  -8.066
  208   2HB   ARG  26          1HB       ARG  26  22.554  32.997  -8.679
  209   1HG   ARG  26          1HG       ARG  26  23.678  35.293  -9.053
  210   2HG   ARG  26          2HG       ARG  26  25.224  34.460  -8.767
  211   1HD   ARG  26          2HD       ARG  26  24.922  34.414 -11.133
  212   2HD   ARG  26          1HD       ARG  26  24.486  32.787 -10.574
  213    HE   ARG  26           HE       ARG  26  22.312  33.147 -11.277
  214   1HH1  ARG  26          1HH2      ARG  26  24.020  36.250 -11.067
  215   2HH1  ARG  26          2HH2      ARG  26  22.706  37.173 -11.757
  216   1HH2  ARG  26          1HH1      ARG  26  20.604  34.372 -12.236
  217   2HH2  ARG  26          2HH1      ARG  26  20.766  36.101 -12.433
  218    H    PHE  27           H        PHE  27  23.108  36.518  -6.871
  219    HA   PHE  27           HA       PHE  27  20.355  36.911  -6.230
  220   1HB   PHE  27          1HB       PHE  27  20.788  39.242  -6.805
  221   2HB   PHE  27          2HB       PHE  27  22.124  38.588  -5.846
  222    HD1  PHE  27           HD1      PHE  27  24.343  38.228  -6.841
  223    HD2  PHE  27           HD2      PHE  27  21.087  39.834  -9.166
  224    HE1  PHE  27           HE1      PHE  27  25.947  38.941  -8.599
  225    HE2  PHE  27           HE2      PHE  27  22.694  40.546 -10.920
  226    HZ   PHE  27           HZ       PHE  27  25.123  40.098 -10.638
  227    H    VAL  28           H        VAL  28  18.580  37.360  -7.520
  228    HA   VAL  28           HA       VAL  28  18.897  36.725 -10.419
  229    HB   VAL  28           HB       VAL  28  16.482  36.082 -10.300
  230   1HG1  VAL  28          3HG1      VAL  28  18.330  34.413 -10.048
  231   2HG1  VAL  28          1HG1      VAL  28  18.256  34.631  -8.284
  232   3HG1  VAL  28          2HG1      VAL  28  16.862  33.949  -9.155
  233   1HG2  VAL  28          1HG2      VAL  28  15.845  37.455  -8.336
  234   2HG2  VAL  28          3HG2      VAL  28  15.460  35.738  -8.075
  235   3HG2  VAL  28          2HG2      VAL  28  16.885  36.453  -7.296
  236    H    ALA  29           H        ALA  29  17.066  37.802 -11.764
  237    HA   ALA  29           HA       ALA  29  17.366  40.674 -11.356
  238   1HB   ALA  29          1HB       ALA  29  17.576  39.611 -13.579
  239   2HB   ALA  29          3HB       ALA  29  15.879  39.079 -13.485
  240   3HB   ALA  29          2HB       ALA  29  16.266  40.816 -13.554
  241    H    GLU  30           H        GLU  30  15.988  39.841  -9.174
  242    HA   GLU  30           HA       GLU  30  14.179  40.324  -7.897
  243   1HB   GLU  30          1HB       GLU  30  13.494  42.123 -10.253
  244   2HB   GLU  30          2HB       GLU  30  12.560  42.087  -8.746
  245   1HG   GLU  30          2HG       GLU  30  15.546  42.674  -8.949
  246   2HG   GLU  30          1HG       GLU  30  14.272  43.893  -8.750
  247    H    GLU  31           H        GLU  31  12.668  40.238 -11.177
  248    HA   GLU  31           HA       GLU  31  10.184  39.378 -10.600
  249   1HB   GLU  31          1HB       GLU  31  11.980  38.371 -12.848
  250   2HB   GLU  31          2HB       GLU  31  10.212  38.183 -12.809
  251   1HG   GLU  31          1HG       GLU  31  11.719  40.839 -12.748
  252   2HG   GLU  31          2HG       GLU  31  10.890  40.151 -14.156
  253    H    THR  32           H        THR  32  12.928  37.087 -11.070
  254    HA   THR  32           HA       THR  32  11.406  34.745 -10.605
  255    HB   THR  32           HB       THR  32  14.351  35.107  -9.956
  256    HG1  THR  32           HG1      THR  32  14.548  34.539 -12.233
  257   1HG2  THR  32          2HG2      THR  32  13.313  32.926  -9.385
  258   2HG2  THR  32          3HG2      THR  32  12.714  32.780 -11.055
  259   3HG2  THR  32          1HG2      THR  32  14.464  32.762 -10.732
  260    H    ARG  33           H        ARG  33  13.487  36.613  -8.308
  261    HA   ARG  33           HA       ARG  33  13.002  34.952  -6.059
  262   1HB   ARG  33          1HB       ARG  33  14.853  36.409  -5.957
  263   2HB   ARG  33          2HB       ARG  33  13.889  37.825  -6.438
  264   1HG   ARG  33          2HG       ARG  33  12.864  37.996  -4.312
  265   2HG   ARG  33          1HG       ARG  33  13.276  36.322  -3.882
  266   1HD   ARG  33          1HD       ARG  33  14.661  38.361  -2.874
  267   2HD   ARG  33          2HD       ARG  33  15.459  36.841  -3.324
  268    HE   ARG  33           HE       ARG  33  16.646  37.974  -4.933
  269   1HH1  ARG  33          1HH2      ARG  33  13.723  39.836  -4.174
  270   2HH1  ARG  33          2HH2      ARG  33  14.143  41.174  -5.228
  271   1HH2  ARG  33          1HH1      ARG  33  17.246  39.797  -6.202
  272   2HH2  ARG  33          2HH1      ARG  33  16.253  41.241  -6.193
  273    H    ASN  34           H        ASN  34  11.367  37.975  -7.143
  274    HA   ASN  34           HA       ASN  34   9.558  38.141  -4.958
  275   1HB   ASN  34          1HB       ASN  34   9.514  39.172  -7.813
  276   2HB   ASN  34          2HB       ASN  34   8.185  39.486  -6.679
  277   1HD2  ASN  34          1HD2      ASN  34  11.846  41.379  -6.230
  278   2HD2  ASN  34          2HD2      ASN  34  11.688  39.949  -7.231
  279    H    ALA  35           H        ALA  35   9.361  36.474  -8.138
  280    HA   ALA  35           HA       ALA  35   6.650  35.660  -7.942
  281   1HB   ALA  35          2HB       ALA  35   9.013  34.321  -9.324
  282   2HB   ALA  35          1HB       ALA  35   7.300  33.945  -9.616
  283   3HB   ALA  35          3HB       ALA  35   7.940  35.554 -10.028
  284    H    VAL  36           H        VAL  36   9.691  34.143  -6.744
  285    HA   VAL  36           HA       VAL  36   8.469  31.713  -5.866
  286    HB   VAL  36           HB       VAL  36  11.010  33.195  -5.102
  287   1HG1  VAL  36          2HG1      VAL  36   9.929  30.551  -4.036
  288   2HG1  VAL  36          1HG1      VAL  36  11.637  31.038  -3.921
  289   3HG1  VAL  36          3HG1      VAL  36  10.385  31.990  -3.091
  290   1HG2  VAL  36          1HG2      VAL  36  10.866  32.107  -7.342
  291   2HG2  VAL  36          2HG2      VAL  36  12.059  31.309  -6.294
  292   3HG2  VAL  36          3HG2      VAL  36  10.466  30.567  -6.552
  293    H    TRP  37           H        TRP  37   9.344  34.730  -4.049
  294    HA   TRP  37           HA       TRP  37   8.242  33.886  -1.580
  295   1HB   TRP  37          1HB       TRP  37   8.614  36.654  -2.756
  296   2HB   TRP  37          2HB       TRP  37   8.173  36.343  -1.074
  297    HD1  TRP  37           HD1      TRP  37  10.988  37.459  -2.712
  298    HE1  TRP  37           HE1      TRP  37  13.239  36.732  -1.694
  299    HE3  TRP  37           HE3      TRP  37   9.365  33.536   0.170
  300    HZ2  TRP  37           HZ2      TRP  37  14.198  34.722   0.087
  301    HZ3  TRP  37           HZ3      TRP  37  10.994  32.238   1.508
  302    HH2  TRP  37           HH2      TRP  37  13.404  32.818   1.460
  303    H    ALA  38           H        ALA  38   6.729  35.381  -4.439
  304    HA   ALA  38           HA       ALA  38   4.231  35.984  -3.132
  305   1HB   ALA  38          2HB       ALA  38   4.924  35.556  -6.070
  306   2HB   ALA  38          3HB       ALA  38   3.403  36.251  -5.457
  307   3HB   ALA  38          1HB       ALA  38   4.943  37.107  -5.198
  308    H    ALA  39           H        ALA  39   5.180  33.383  -5.464
  309    HA   ALA  39           HA       ALA  39   2.830  31.905  -5.463
  310   1HB   ALA  39          3HB       ALA  39   5.715  30.933  -5.580
  311   2HB   ALA  39          2HB       ALA  39   4.295  29.979  -6.067
  312   3HB   ALA  39          1HB       ALA  39   4.715  31.462  -6.957
  313    H    ILE  40           H        ILE  40   5.572  31.696  -3.153
  314    HA   ILE  40           HA       ILE  40   4.805  29.458  -1.678
  315    HB   ILE  40           HB       ILE  40   6.325  32.002  -1.092
  316   1HG1  ILE  40          1HG1      ILE  40   7.123  29.065  -0.878
  317   2HG1  ILE  40          2HG1      ILE  40   7.211  29.984  -2.398
  318   1HG2  ILE  40          1HG2      ILE  40   5.671  29.839   0.957
  319   2HG2  ILE  40          3HG2      ILE  40   6.901  31.103   1.170
  320   3HG2  ILE  40          2HG2      ILE  40   5.189  31.547   1.043
  321   1HD1  ILE  40          1HD1      ILE  40   8.660  31.678  -1.195
  322   2HD1  ILE  40          2HD1      ILE  40   8.710  30.563   0.190
  323   3HD1  ILE  40          3HD1      ILE  40   9.395  30.070  -1.374
  324    H    LYS  41           H        LYS  41   3.598  32.839  -1.382
  325    HA   LYS  41           HA       LYS  41   1.847  32.006   0.869
  326   1HB   LYS  41          1HB       LYS  41   2.338  34.765  -0.321
  327   2HB   LYS  41          2HB       LYS  41   1.522  34.391   1.213
  328   1HG   LYS  41          1HG       LYS  41   3.647  33.345   2.042
  329   2HG   LYS  41          2HG       LYS  41   4.445  33.846   0.533
  330   1HD   LYS  41          2HD       LYS  41   3.596  36.241   1.127
  331   2HD   LYS  41          1HD       LYS  41   3.329  35.582   2.758
  332   1HE   LYS  41          2HE       LYS  41   5.526  36.485   2.831
  333   2HE   LYS  41          1HE       LYS  41   5.767  34.736   2.631
  334   1HZ   LYS  41          2HZ       LYS  41   5.995  35.156   0.248
  335   2HZ   LYS  41          1HZ       LYS  41   5.899  36.781   0.525
  336   3HZ   LYS  41          3HZ       LYS  41   7.159  35.915   1.143
  337    H    GLU  42           H        GLU  42   1.728  32.642  -2.563
  338    HA   GLU  42           HA       GLU  42  -1.027  33.520  -2.648
  339   1HB   GLU  42          1HB       GLU  42   0.673  34.047  -4.397
  340   2HB   GLU  42          2HB       GLU  42   0.737  32.324  -4.830
  341   1HG   GLU  42          2HG       GLU  42  -2.012  33.419  -4.739
  342   2HG   GLU  42          1HG       GLU  42  -0.974  34.210  -5.943
  343    H    LEU  43           H        LEU  43   0.690  30.435  -3.362
  344    HA   LEU  43           HA       LEU  43  -1.818  28.986  -3.636
  345   1HB   LEU  43          1HB       LEU  43   0.214  28.387  -4.920
  346   2HB   LEU  43          2HB       LEU  43   1.079  28.042  -3.414
  347    HG   LEU  43           HG       LEU  43  -0.666  26.278  -2.896
  348   1HD1  LEU  43          2HD1      LEU  43  -1.562  27.008  -5.716
  349   2HD1  LEU  43          3HD1      LEU  43  -2.019  25.496  -4.898
  350   3HD1  LEU  43          1HD1      LEU  43  -2.536  27.060  -4.228
  351   1HD2  LEU  43          1HD2      LEU  43   0.823  25.991  -5.539
  352   2HD2  LEU  43          3HD2      LEU  43   1.503  25.692  -3.923
  353   3HD2  LEU  43          2HD2      LEU  43   0.206  24.649  -4.551
  354    H    HIS  44           H        HIS  44   0.809  27.768  -1.606
  355    HA   HIS  44           HA       HIS  44   0.123  28.391   0.958
  356   1HB   HIS  44          1HB       HIS  44  -1.232  26.314   1.623
  357   2HB   HIS  44          2HB       HIS  44  -2.104  27.691   0.945
  358    HD1  HIS  44           HD1      HIS  44  -3.504  27.297  -1.155
  359    HD2  HIS  44           HD2      HIS  44  -0.999  24.070  -0.262
  360    HE1  HIS  44           HE1      HIS  44  -4.132  25.374  -2.701
  361    H    TYR  45           H        TYR  45   2.420  28.033   0.573
  362    HA   TYR  45           HA       TYR  45   3.475  25.388   0.123
  363   1HB   TYR  45          1HB       TYR  45   4.810  27.308  -0.423
  364   2HB   TYR  45          2HB       TYR  45   4.623  27.978   1.203
  365    HD1  TYR  45           HD1      TYR  45   5.650  24.553  -0.041
  366    HD2  TYR  45           HD2      TYR  45   6.685  28.044   2.267
  367    HE1  TYR  45           HE1      TYR  45   7.751  23.456   0.693
  368    HE2  TYR  45           HE2      TYR  45   8.792  26.944   2.981
  369    HH   TYR  45           HH       TYR  45   9.686  23.654   1.891
  370    H    SER  46           H        SER  46   4.028  23.799   1.556
  371    HA   SER  46           HA       SER  46   3.555  24.338   4.458
  372   1HB   SER  46          2HB       SER  46   3.031  21.858   4.543
  373   2HB   SER  46          1HB       SER  46   1.853  22.852   3.654
  374    HG   SER  46           HG       SER  46   2.397  21.011   2.462
  375    HA   PRO  47           HA       PRO  47   7.987  23.278   4.117
  376   1HB   PRO  47          2HB       PRO  47   8.648  24.626   6.510
  377   2HB   PRO  47          1HB       PRO  47   8.761  25.294   4.862
  378   1HG   PRO  47          2HG       PRO  47   6.800  25.896   6.984
  379   2HG   PRO  47          1HG       PRO  47   7.151  26.795   5.479
  380   1HD   PRO  47          2HD       PRO  47   4.914  25.068   6.014
  381   2HD   PRO  47          1HD       PRO  47   5.324  25.878   4.473
  382    H    SER  48           H        SER  48   6.862  21.110   4.589
  383    HA   SER  48           HA       SER  48   6.369  20.198   7.223
  384   1HB   SER  48          2HB       SER  48   7.349  18.602   4.819
  385   2HB   SER  48          1HB       SER  48   6.468  17.971   6.232
  386    HG   SER  48           HG       SER  48   5.106  18.408   4.415
  387    H    ALA  49           H        ALA  49   9.367  20.406   5.303
  388    HA   ALA  49           HA       ALA  49  11.039  18.763   6.858
  389   1HB   ALA  49          1HB       ALA  49  11.683  21.332   5.348
  390   2HB   ALA  49          3HB       ALA  49  12.873  20.123   5.889
  391   3HB   ALA  49          2HB       ALA  49  11.659  19.687   4.663
  392    H    VAL  50           H        VAL  50  10.038  22.177   7.307
  393    HA   VAL  50           HA       VAL  50  11.258  22.081  10.031
  394    HB   VAL  50           HB       VAL  50  11.157  24.555   8.251
  395   1HG1  VAL  50          3HG1      VAL  50  12.675  23.872  10.814
  396   2HG1  VAL  50          1HG1      VAL  50  12.787  25.407   9.921
  397   3HG1  VAL  50          2HG1      VAL  50  11.260  24.943  10.704
  398   1HG2  VAL  50          1HG2      VAL  50  13.411  22.552   8.714
  399   2HG2  VAL  50          2HG2      VAL  50  12.664  22.994   7.159
  400   3HG2  VAL  50          3HG2      VAL  50  13.655  24.180   8.037
  401    H    ALA  51           H        ALA  51   8.893  21.225  10.202
  402    HA   ALA  51           HA       ALA  51   6.781  23.205  10.014
  403   1HB   ALA  51          3HB       ALA  51   6.932  20.481  11.379
  404   2HB   ALA  51          1HB       ALA  51   5.446  21.443  11.172
  405   3HB   ALA  51          2HB       ALA  51   6.308  20.818   9.746
  406    H    ARG  52           H        ARG  52   8.171  21.436  12.852
  407    HA   ARG  52           HA       ARG  52   8.536  23.853  14.370
  408   1HB   ARG  52          2HB       ARG  52   5.935  23.223  14.335
  409   2HB   ARG  52          1HB       ARG  52   6.430  22.058  15.579
  410   1HG   ARG  52          2HG       ARG  52   7.474  23.920  16.880
  411   2HG   ARG  52          1HG       ARG  52   6.965  25.071  15.625
  412   1HD   ARG  52          1HD       ARG  52   5.058  23.287  17.197
  413   2HD   ARG  52          2HD       ARG  52   5.420  24.978  17.612
  414    HE   ARG  52           HE       ARG  52   4.649  24.964  14.906
  415   1HH1  ARG  52          1HH2      ARG  52   3.249  24.181  18.065
  416   2HH1  ARG  52          2HH2      ARG  52   1.612  24.557  17.584
  417   1HH2  ARG  52          1HH1      ARG  52   2.491  25.501  14.293
  418   2HH2  ARG  52          2HH1      ARG  52   1.181  25.322  15.435
  419    H    SER  53           H        SER  53   7.914  22.071  16.859
  420    HA   SER  53           HA       SER  53  10.488  20.586  16.760
  421   1HB   SER  53          2HB       SER  53  10.275  22.345  18.482
  422   2HB   SER  53          1HB       SER  53   8.815  21.552  19.118
  423    HG   SER  53           HG       SER  53  10.733  20.964  20.251
  424    H    LEU  54           H        LEU  54   7.111  20.324  18.012
  425    HA   LEU  54           HA       LEU  54   7.424  17.389  18.164
  426   1HB   LEU  54          2HB       LEU  54   5.281  17.469  19.395
  427   2HB   LEU  54          1HB       LEU  54   6.497  18.535  20.128
  428    HG   LEU  54           HG       LEU  54   4.809  19.858  18.066
  429   1HD1  LEU  54          2HD1      LEU  54   3.168  18.290  19.151
  430   2HD1  LEU  54          1HD1      LEU  54   3.589  18.998  20.725
  431   3HD1  LEU  54          3HD1      LEU  54   2.816  20.003  19.476
  432   1HD2  LEU  54          1HD2      LEU  54   6.425  21.035  19.577
  433   2HD2  LEU  54          3HD2      LEU  54   4.762  21.625  19.775
  434   3HD2  LEU  54          2HD2      LEU  54   5.460  20.513  20.976
  435    H    LYS  55           H        LYS  55   4.887  16.477  17.683
  436    HA   LYS  55           HA       LYS  55   4.838  16.413  14.816
  437   1HB   LYS  55          2HB       LYS  55   4.187  14.557  16.397
  438   2HB   LYS  55          1HB       LYS  55   2.715  15.465  16.787
  439   1HG   LYS  55          1HG       LYS  55   2.932  15.361  13.917
  440   2HG   LYS  55          2HG       LYS  55   3.232  13.722  14.535
  441   1HD   LYS  55          1HD       LYS  55   0.843  13.955  14.168
  442   2HD   LYS  55          2HD       LYS  55   1.123  13.936  15.925
  443   1HE   LYS  55          1HE       LYS  55   1.009  16.385  15.987
  444   2HE   LYS  55          2HE       LYS  55   0.822  16.451  14.226
  445   1HZ   LYS  55          3HZ       LYS  55  -1.061  15.143  16.052
  446   2HZ   LYS  55          1HZ       LYS  55  -1.233  16.682  15.474
  447   3HZ   LYS  55          2HZ       LYS  55  -1.258  15.395  14.434
  448    H    VAL  56           H        VAL  56   2.894  18.131  17.286
  449    HA   VAL  56           HA       VAL  56   1.445  19.886  17.160
  450    HB   VAL  56           HB       VAL  56   2.339  20.205  14.257
  451   1HG1  VAL  56          1HG1      VAL  56   1.051  22.122  16.250
  452   2HG1  VAL  56          3HG1      VAL  56   1.612  22.549  14.618
  453   3HG1  VAL  56          2HG1      VAL  56   0.261  21.414  14.823
  454   1HG2  VAL  56          1HG2      VAL  56   3.423  21.377  16.854
  455   2HG2  VAL  56          2HG2      VAL  56   4.282  20.289  15.742
  456   3HG2  VAL  56          3HG2      VAL  56   3.871  21.938  15.226
   
  No H/Q in entry =         456
  Start of MODEL          13
 Raw file had  466 H/Q atoms
  Start of MODEL   13
    1   1H    MET   1          2H        MET   1  -0.593  22.007   1.608
    2   2H    MET   1          3H        MET   1  -1.544  23.190   2.253
    3   3H    MET   1          1H        MET   1  -0.538  23.528   0.987
    4    HA   MET   1           HA       MET   1   0.433  24.420   2.892
    5   1HB   MET   1          2HB       MET   1   0.829  23.217   4.897
    6   2HB   MET   1          1HB       MET   1  -0.852  22.873   4.451
    7   1HG   MET   1          1HG       MET   1   1.483  21.041   3.757
    8   2HG   MET   1          2HG       MET   1   0.528  20.883   5.232
    9   1HE   MET   1          1HE       MET   1   0.298  18.318   4.463
   10   2HE   MET   1          2HE       MET   1  -0.448  17.820   2.927
   11   3HE   MET   1          3HE       MET   1   1.121  18.661   2.922
   12    H    ALA   2           H        ALA   2   0.989  21.593   0.922
   13    HA   ALA   2           HA       ALA   2   3.670  20.987   1.445
   14   1HB   ALA   2          1HB       ALA   2   2.106  20.998  -1.170
   15   2HB   ALA   2          3HB       ALA   2   3.711  20.255  -0.965
   16   3HB   ALA   2          2HB       ALA   2   2.319  19.636  -0.045
   17    H    THR   3           H        THR   3   2.792  22.853  -1.509
   18    HA   THR   3           HA       THR   3   3.724  24.679  -2.490
   19    HB   THR   3           HB       THR   3   4.860  25.445   0.218
   20    HG1  THR   3           HG1      THR   3   2.814  26.122   0.756
   21   1HG2  THR   3          2HG2      THR   3   3.754  26.942  -2.186
   22   2HG2  THR   3          3HG2      THR   3   4.029  27.712  -0.608
   23   3HG2  THR   3          1HG2      THR   3   5.399  27.028  -1.509
   24    H    ILE   4           H        ILE   4   5.875  25.792  -2.954
   25    HA   ILE   4           HA       ILE   4   8.078  25.759  -3.506
   26    HB   ILE   4           HB       ILE   4   8.129  24.384  -1.044
   27   1HG1  ILE   4          2HG1      ILE   4   9.475  26.360  -1.793
   28   2HG1  ILE   4          1HG1      ILE   4  10.436  25.113  -0.971
   29   1HG2  ILE   4          2HG2      ILE   4   9.702  22.852  -3.169
   30   2HG2  ILE   4          3HG2      ILE   4   9.956  22.703  -1.418
   31   3HG2  ILE   4          1HG2      ILE   4   8.409  22.215  -2.134
   32   1HD1  ILE   4          2HD1      ILE   4  10.206  25.349  -4.003
   33   2HD1  ILE   4          1HD1      ILE   4  11.529  26.042  -3.042
   34   3HD1  ILE   4          3HD1      ILE   4  11.296  24.282  -3.089
   35    H    LYS   5           H        LYS   5   6.398  22.640  -3.380
   36    HA   LYS   5           HA       LYS   5   7.788  21.459  -5.608
   37   1HB   LYS   5          1HB       LYS   5   5.090  20.935  -4.280
   38   2HB   LYS   5          2HB       LYS   5   5.769  19.923  -5.570
   39   1HG   LYS   5          1HG       LYS   5   7.783  19.503  -4.159
   40   2HG   LYS   5          2HG       LYS   5   7.064  20.496  -2.869
   41   1HD   LYS   5          2HD       LYS   5   5.106  18.940  -2.796
   42   2HD   LYS   5          1HD       LYS   5   5.888  17.933  -4.037
   43   1HE   LYS   5          2HE       LYS   5   6.364  16.950  -1.875
   44   2HE   LYS   5          1HE       LYS   5   7.865  17.674  -2.491
   45   1HZ   LYS   5          1HZ       LYS   5   6.044  18.932  -0.556
   46   2HZ   LYS   5          2HZ       LYS   5   7.469  18.187  -0.183
   47   3HZ   LYS   5          3HZ       LYS   5   7.469  19.560  -1.096
   48    H    ASP   6           H        ASP   6   4.450  22.736  -5.234
   49    HA   ASP   6           HA       ASP   6   3.919  22.895  -8.037
   50   1HB   ASP   6          1HB       ASP   6   2.723  24.158  -5.550
   51   2HB   ASP   6          2HB       ASP   6   2.131  24.578  -7.173
   52    H    VAL   7           H        VAL   7   4.872  25.371  -5.616
   53    HA   VAL   7           HA       VAL   7   4.837  27.655  -7.140
   54    HB   VAL   7           HB       VAL   7   6.840  26.771  -5.026
   55   1HG1  VAL   7          2HG1      VAL   7   6.304  29.509  -6.249
   56   2HG1  VAL   7          1HG1      VAL   7   7.157  29.268  -4.703
   57   3HG1  VAL   7          3HG1      VAL   7   7.847  28.625  -6.210
   58   1HG2  VAL   7          3HG2      VAL   7   4.270  28.407  -4.953
   59   2HG2  VAL   7          1HG2      VAL   7   4.527  26.797  -4.248
   60   3HG2  VAL   7          2HG2      VAL   7   5.376  28.208  -3.576
   61    H    ALA   8           H        ALA   8   7.559  25.283  -6.994
   62    HA   ALA   8           HA       ALA   8   9.393  26.733  -8.533
   63   1HB   ALA   8          3HB       ALA   8   8.905  23.733  -8.350
   64   2HB   ALA   8          2HB       ALA   8  10.344  24.476  -9.087
   65   3HB   ALA   8          1HB       ALA   8  10.013  24.707  -7.355
   66    H    LYS   9           H        LYS   9   7.222  24.124  -9.807
   67    HA   LYS   9           HA       LYS   9   7.910  24.740 -12.528
   68   1HB   LYS   9          1HB       LYS   9   5.685  23.114 -11.238
   69   2HB   LYS   9          2HB       LYS   9   5.904  23.226 -12.999
   70   1HG   LYS   9          2HG       LYS   9   8.250  22.477 -11.230
   71   2HG   LYS   9          1HG       LYS   9   7.044  21.246 -11.668
   72   1HD   LYS   9          2HD       LYS   9   8.277  22.996 -13.816
   73   2HD   LYS   9          1HD       LYS   9   9.158  21.579 -13.198
   74   1HE   LYS   9          1HE       LYS   9   7.244  20.122 -13.752
   75   2HE   LYS   9          2HE       LYS   9   6.327  21.525 -14.338
   76   1HZ   LYS   9          1HZ       LYS   9   8.863  20.559 -15.461
   77   2HZ   LYS   9          3HZ       LYS   9   7.369  20.325 -16.118
   78   3HZ   LYS   9          2HZ       LYS   9   7.992  21.849 -16.010
   79    H    ARG  10           H        ARG  10   5.090  25.556 -10.466
   80    HA   ARG  10           HA       ARG  10   3.487  26.743 -12.448
   81   1HB   ARG  10          1HB       ARG  10   3.048  26.134  -9.924
   82   2HB   ARG  10          2HB       ARG  10   3.603  27.790  -9.613
   83   1HG   ARG  10          1HG       ARG  10   1.264  28.030  -9.852
   84   2HG   ARG  10          2HG       ARG  10   1.884  28.478 -11.458
   85   1HD   ARG  10          1HD       ARG  10  -0.050  26.952 -11.651
   86   2HD   ARG  10          2HD       ARG  10   1.423  26.183 -12.279
   87    HE   ARG  10           HE       ARG  10   1.100  25.514  -9.512
   88   1HH1  ARG  10          1HH2      ARG  10  -0.419  24.943 -12.658
   89   2HH1  ARG  10          2HH2      ARG  10  -0.943  23.322 -12.268
   90   1HH2  ARG  10          2HH1      ARG  10   0.473  23.323  -9.021
   91   2HH2  ARG  10          1HH1      ARG  10  -0.490  22.428 -10.180
   92    H    ALA  11           H        ALA  11   6.145  28.133 -10.459
   93    HA   ALA  11           HA       ALA  11   5.766  30.751 -11.816
   94   1HB   ALA  11          3HB       ALA  11   5.997  30.599  -9.310
   95   2HB   ALA  11          2HB       ALA  11   7.653  29.995  -9.553
   96   3HB   ALA  11          1HB       ALA  11   7.215  31.631 -10.093
   97    H    ASN  12           H        ASN  12   7.113  28.018 -12.814
   98    HA   ASN  12           HA       ASN  12   8.651  27.559 -14.401
   99   1HB   ASN  12          1HB       ASN  12   8.234  29.952 -15.186
  100   2HB   ASN  12          2HB       ASN  12   9.668  30.416 -14.245
  101   1HD2  ASN  12          1HD2      ASN  12  11.815  29.616 -16.887
  102   2HD2  ASN  12          2HD2      ASN  12  11.392  30.667 -15.553
  103    H    VAL  13           H        VAL  13  10.764  26.930 -14.516
  104    HA   VAL  13           HA       VAL  13  12.878  26.400 -13.873
  105    HB   VAL  13           HB       VAL  13  14.178  27.543 -12.323
  106   1HG1  VAL  13          1HG1      VAL  13  13.266  28.934 -14.246
  107   2HG1  VAL  13          3HG1      VAL  13  12.154  29.681 -13.077
  108   3HG1  VAL  13          2HG1      VAL  13  13.907  29.847 -12.862
  109   1HG2  VAL  13          1HG2      VAL  13  11.920  27.491 -10.602
  110   2HG2  VAL  13          3HG2      VAL  13  13.549  28.082 -10.241
  111   3HG2  VAL  13          2HG2      VAL  13  12.321  29.208 -10.841
  112    H    SER  14           H        SER  14  14.037  25.347 -11.822
  113    HA   SER  14           HA       SER  14  12.089  23.305 -10.913
  114   1HB   SER  14          2HB       SER  14  14.163  22.667 -12.179
  115   2HB   SER  14          1HB       SER  14  15.134  23.305 -10.832
  116    HG   SER  14           HG       SER  14  14.699  21.020 -10.716
  117    H    THR  15           H        THR  15  13.044  22.268  -8.699
  118    HA   THR  15           HA       THR  15  12.389  24.201  -6.677
  119    HB   THR  15           HB       THR  15  13.076  22.258  -5.152
  120    HG1  THR  15           HG1      THR  15  13.417  20.297  -6.279
  121   1HG2  THR  15          1HG2      THR  15  10.748  22.624  -5.927
  122   2HG2  THR  15          3HG2      THR  15  11.097  21.706  -7.411
  123   3HG2  THR  15          2HG2      THR  15  11.127  20.888  -5.832
  124    H    THR  16           H        THR  16  15.463  22.602  -7.688
  125    HA   THR  16           HA       THR  16  17.094  23.643  -5.643
  126    HB   THR  16           HB       THR  16  17.762  21.852  -7.222
  127    HG1  THR  16           HG1      THR  16  19.891  22.657  -7.502
  128   1HG2  THR  16          1HG2      THR  16  16.816  23.017  -9.286
  129   2HG2  THR  16          3HG2      THR  16  18.244  24.078  -9.247
  130   3HG2  THR  16          2HG2      THR  16  18.441  22.328  -9.483
  131    H    THR  17           H        THR  17  16.140  25.107  -8.795
  132    HA   THR  17           HA       THR  17  17.828  27.399  -8.536
  133    HB   THR  17           HB       THR  17  15.792  28.273 -10.123
  134    HG1  THR  17           HG1      THR  17  14.596  26.353  -9.752
  135   1HG2  THR  17          3HG2      THR  17  17.976  26.270 -10.853
  136   2HG2  THR  17          1HG2      THR  17  17.105  27.309 -12.006
  137   3HG2  THR  17          2HG2      THR  17  18.157  28.039 -10.770
  138    H    VAL  18           H        VAL  18  14.648  26.575  -7.171
  139    HA   VAL  18           HA       VAL  18  14.105  29.318  -6.337
  140    HB   VAL  18           HB       VAL  18  12.896  26.625  -5.576
  141   1HG1  VAL  18          2HG1      VAL  18  12.181  29.454  -4.703
  142   2HG1  VAL  18          3HG1      VAL  18  11.085  28.063  -4.536
  143   3HG1  VAL  18          1HG1      VAL  18  12.630  28.088  -3.657
  144   1HG2  VAL  18          2HG2      VAL  18  12.476  27.495  -7.892
  145   2HG2  VAL  18          1HG2      VAL  18  11.000  27.424  -6.904
  146   3HG2  VAL  18          3HG2      VAL  18  11.813  28.982  -7.181
  147    H    SER  19           H        SER  19  15.589  26.362  -4.953
  148    HA   SER  19           HA       SER  19  15.866  27.262  -2.286
  149   1HB   SER  19          2HB       SER  19  17.776  25.495  -3.867
  150   2HB   SER  19          1HB       SER  19  17.600  25.561  -2.100
  151    HG   SER  19           HG       SER  19  16.418  23.835  -3.060
  152    H    HIS  20           H        HIS  20  17.748  27.976  -5.239
  153    HA   HIS  20           HA       HIS  20  20.045  29.114  -4.058
  154   1HB   HIS  20          2HB       HIS  20  18.548  29.906  -6.587
  155   2HB   HIS  20          1HB       HIS  20  20.171  30.464  -6.162
  156    HD1  HIS  20           HD1      HIS  20  20.239  29.097  -8.739
  157    HD2  HIS  20           HD2      HIS  20  20.298  26.897  -5.181
  158    HE1  HIS  20           HE1      HIS  20  21.209  26.805  -9.265
  159    H    VAL  21           H        VAL  21  16.794  30.464  -4.678
  160    HA   VAL  21           HA       VAL  21  17.438  33.163  -3.906
  161    HB   VAL  21           HB       VAL  21  14.759  31.696  -3.884
  162   1HG1  VAL  21          2HG1      VAL  21  14.753  33.802  -2.579
  163   2HG1  VAL  21          1HG1      VAL  21  15.440  34.668  -3.975
  164   3HG1  VAL  21          3HG1      VAL  21  13.806  33.966  -4.072
  165   1HG2  VAL  21          3HG2      VAL  21  16.172  33.337  -6.028
  166   2HG2  VAL  21          2HG2      VAL  21  15.776  31.604  -6.105
  167   3HG2  VAL  21          1HG2      VAL  21  14.474  32.814  -6.113
  168    H    ILE  22           H        ILE  22  16.000  30.351  -2.164
  169    HA   ILE  22           HA       ILE  22  15.508  31.683   0.283
  170    HB   ILE  22           HB       ILE  22  16.212  28.761  -0.235
  171   1HG1  ILE  22          1HG1      ILE  22  13.513  30.186  -0.010
  172   2HG1  ILE  22          2HG1      ILE  22  14.245  29.618  -1.525
  173   1HG2  ILE  22          3HG2      ILE  22  16.446  29.412   2.154
  174   2HG2  ILE  22          1HG2      ILE  22  14.808  30.104   2.123
  175   3HG2  ILE  22          2HG2      ILE  22  15.042  28.353   1.914
  176   1HD1  ILE  22          2HD1      ILE  22  14.333  27.286  -0.419
  177   2HD1  ILE  22          3HD1      ILE  22  13.228  27.957   0.804
  178   3HD1  ILE  22          1HD1      ILE  22  12.732  27.894  -0.901
  179    H    ASN  23           H        ASN  23  18.441  30.080  -0.990
  180    HA   ASN  23           HA       ASN  23  19.922  30.750   1.486
  181   1HB   ASN  23          1HB       ASN  23  20.631  29.181  -1.023
  182   2HB   ASN  23          2HB       ASN  23  21.760  29.481   0.316
  183   1HD2  ASN  23          1HD2      ASN  23  18.709  26.725   0.701
  184   2HD2  ASN  23          2HD2      ASN  23  18.749  27.845  -0.645
  185    H    LYS  24           H        LYS  24  18.878  32.662  -0.803
  186    HA   LYS  24           HA       LYS  24  19.720  34.268  -2.250
  187   1HB   LYS  24          1HB       LYS  24  20.917  36.053  -0.836
  188   2HB   LYS  24          2HB       LYS  24  19.285  35.567  -0.343
  189   1HG   LYS  24          1HG       LYS  24  21.595  34.078   0.875
  190   2HG   LYS  24          2HG       LYS  24  21.314  35.742   1.412
  191   1HD   LYS  24          2HD       LYS  24  19.183  35.269   2.270
  192   2HD   LYS  24          1HD       LYS  24  18.978  33.828   1.253
  193   1HE   LYS  24          1HE       LYS  24  20.870  32.750   2.574
  194   2HE   LYS  24          2HE       LYS  24  20.786  34.136   3.684
  195   1HZ   LYS  24          2HZ       LYS  24  18.547  32.331   3.051
  196   2HZ   LYS  24          3HZ       LYS  24  19.475  32.259   4.418
  197   3HZ   LYS  24          1HZ       LYS  24  18.524  33.576   4.138
  198    H    THR  25           H        THR  25  21.066  32.491  -3.332
  199    HA   THR  25           HA       THR  25  23.980  33.094  -3.090
  200    HB   THR  25           HB       THR  25  24.150  31.001  -4.567
  201    HG1  THR  25           HG1      THR  25  21.451  30.722  -3.706
  202   1HG2  THR  25          1HG2      THR  25  24.512  31.066  -2.063
  203   2HG2  THR  25          2HG2      THR  25  22.810  30.590  -1.864
  204   3HG2  THR  25          3HG2      THR  25  23.946  29.496  -2.682
  205    H    ARG  26           H        ARG  26  22.134  31.860  -5.883
  206    HA   ARG  26           HA       ARG  26  23.291  33.997  -7.555
  207   1HB   ARG  26          1HB       ARG  26  23.418  31.635  -8.295
  208   2HB   ARG  26          2HB       ARG  26  21.647  31.519  -8.239
  209   1HG   ARG  26          2HG       ARG  26  22.356  31.912 -10.546
  210   2HG   ARG  26          1HG       ARG  26  21.504  33.353  -9.949
  211   1HD   ARG  26          2HD       ARG  26  23.554  34.555  -9.631
  212   2HD   ARG  26          1HD       ARG  26  24.534  33.087  -9.817
  213    HE   ARG  26           HE       ARG  26  23.414  34.765 -11.935
  214   1HH1  ARG  26          1HH2      ARG  26  24.564  31.514 -11.101
  215   2HH1  ARG  26          2HH2      ARG  26  25.058  31.125 -12.730
  216   1HH2  ARG  26          2HH1      ARG  26  24.055  34.233 -14.085
  217   2HH2  ARG  26          1HH1      ARG  26  24.739  32.663 -14.438
  218    H    PHE  27           H        PHE  27  22.169  35.883  -7.400
  219    HA   PHE  27           HA       PHE  27  19.296  35.923  -6.957
  220   1HB   PHE  27          1HB       PHE  27  20.747  37.627  -5.986
  221   2HB   PHE  27          2HB       PHE  27  21.342  38.082  -7.592
  222    HD1  PHE  27           HD1      PHE  27  17.953  37.578  -5.994
  223    HD2  PHE  27           HD2      PHE  27  20.517  40.117  -8.353
  224    HE1  PHE  27           HE1      PHE  27  16.126  39.245  -6.198
  225    HE2  PHE  27           HE2      PHE  27  18.682  41.781  -8.544
  226    HZ   PHE  27           HZ       PHE  27  16.493  41.344  -7.464
  227    H    VAL  28           H        VAL  28  18.134  35.075  -8.662
  228    HA   VAL  28           HA       VAL  28  18.839  35.821 -11.420
  229    HB   VAL  28           HB       VAL  28  16.452  34.181 -10.492
  230   1HG1  VAL  28          1HG1      VAL  28  16.514  34.894 -12.874
  231   2HG1  VAL  28          2HG1      VAL  28  18.137  34.185 -13.036
  232   3HG1  VAL  28          3HG1      VAL  28  16.735  33.138 -12.719
  233   1HG2  VAL  28          3HG2      VAL  28  19.350  33.341 -10.889
  234   2HG2  VAL  28          1HG2      VAL  28  18.345  33.122  -9.437
  235   3HG2  VAL  28          2HG2      VAL  28  17.991  32.194 -10.912
  236    H    ALA  29           H        ALA  29  18.396  38.151 -10.315
  237    HA   ALA  29           HA       ALA  29  17.207  40.084 -10.523
  238   1HB   ALA  29          3HB       ALA  29  16.829  39.113 -12.859
  239   2HB   ALA  29          2HB       ALA  29  15.229  38.591 -12.280
  240   3HB   ALA  29          1HB       ALA  29  15.644  40.319 -12.304
  241    H    GLU  30           H        GLU  30  14.853  41.035 -10.305
  242    HA   GLU  30           HA       GLU  30  13.901  40.218  -7.722
  243   1HB   GLU  30          1HB       GLU  30  12.820  42.122  -9.845
  244   2HB   GLU  30          2HB       GLU  30  12.084  41.913  -8.243
  245   1HG   GLU  30          2HG       GLU  30  13.510  43.782  -7.990
  246   2HG   GLU  30          1HG       GLU  30  14.410  42.436  -7.270
  247    H    GLU  31           H        GLU  31  13.015  39.342 -11.012
  248    HA   GLU  31           HA       GLU  31  10.322  38.700 -10.716
  249   1HB   GLU  31          2HB       GLU  31  11.597  38.735 -12.856
  250   2HB   GLU  31          1HB       GLU  31  12.433  37.242 -12.370
  251   1HG   GLU  31          1HG       GLU  31  10.564  36.701 -13.863
  252   2HG   GLU  31          2HG       GLU  31  10.233  36.074 -12.238
  253    H    THR  32           H        THR  32  13.084  36.357 -10.413
  254    HA   THR  32           HA       THR  32  11.415  34.240  -9.498
  255    HB   THR  32           HB       THR  32  13.560  33.216  -8.733
  256    HG1  THR  32           HG1      THR  32  14.696  34.971  -8.036
  257   1HG2  THR  32          3HG2      THR  32  12.777  33.194 -11.144
  258   2HG2  THR  32          1HG2      THR  32  13.832  34.596 -11.439
  259   3HG2  THR  32          2HG2      THR  32  14.537  33.041 -10.944
  260    H    ARG  33           H        ARG  33  13.348  36.699  -7.742
  261    HA   ARG  33           HA       ARG  33  13.000  35.712  -5.141
  262   1HB   ARG  33          1HB       ARG  33  14.569  37.502  -5.776
  263   2HB   ARG  33          2HB       ARG  33  13.205  38.587  -6.119
  264   1HG   ARG  33          2HG       ARG  33  12.470  38.338  -3.723
  265   2HG   ARG  33          1HG       ARG  33  13.923  37.363  -3.416
  266   1HD   ARG  33          2HD       ARG  33  14.241  39.746  -2.761
  267   2HD   ARG  33          1HD       ARG  33  15.359  39.249  -4.045
  268    HE   ARG  33           HE       ARG  33  14.399  40.809  -5.451
  269   1HH1  ARG  33          1HH1      ARG  33  12.214  40.183  -2.731
  270   2HH1  ARG  33          2HH1      ARG  33  11.045  41.388  -3.219
  271   1HH2  ARG  33          1HH2      ARG  33  12.837  42.382  -6.098
  272   2HH2  ARG  33          2HH2      ARG  33  11.418  42.663  -5.117
  273    H    ASN  34           H        ASN  34  11.060  38.323  -6.733
  274    HA   ASN  34           HA       ASN  34   9.251  38.497  -4.535
  275   1HB   ASN  34          2HB       ASN  34   8.333  40.258  -5.677
  276   2HB   ASN  34          1HB       ASN  34   9.903  40.171  -6.497
  277   1HD2  ASN  34          1HD2      ASN  34   6.524  39.875  -8.638
  278   2HD2  ASN  34          2HD2      ASN  34   6.628  40.474  -6.998
  279    H    ALA  35           H        ALA  35   9.104  36.723  -7.667
  280    HA   ALA  35           HA       ALA  35   6.374  35.931  -7.441
  281   1HB   ALA  35          2HB       ALA  35   7.687  35.774  -9.524
  282   2HB   ALA  35          3HB       ALA  35   8.719  34.524  -8.785
  283   3HB   ALA  35          1HB       ALA  35   6.995  34.194  -9.083
  284    H    VAL  36           H        VAL  36   9.426  34.361  -6.342
  285    HA   VAL  36           HA       VAL  36   8.244  31.954  -5.420
  286    HB   VAL  36           HB       VAL  36  10.791  33.469  -4.777
  287   1HG1  VAL  36          2HG1      VAL  36   9.768  30.887  -3.529
  288   2HG1  VAL  36          1HG1      VAL  36  11.489  31.336  -3.566
  289   3HG1  VAL  36          3HG1      VAL  36  10.329  32.358  -2.695
  290   1HG2  VAL  36          2HG2      VAL  36  10.389  32.210  -6.966
  291   2HG2  VAL  36          1HG2      VAL  36  11.812  31.684  -6.035
  292   3HG2  VAL  36          3HG2      VAL  36  10.315  30.721  -5.999
  293    H    TRP  37           H        TRP  37   9.211  34.890  -3.505
  294    HA   TRP  37           HA       TRP  37   8.142  33.925  -1.066
  295   1HB   TRP  37          2HB       TRP  37   8.509  36.779  -2.023
  296   2HB   TRP  37          1HB       TRP  37   8.248  36.282  -0.343
  297    HD1  TRP  37           HD1      TRP  37  10.890  37.562  -2.138
  298    HE1  TRP  37           HE1      TRP  37  13.226  36.693  -1.491
  299    HE3  TRP  37           HE3      TRP  37   9.512  33.332   0.414
  300    HZ2  TRP  37           HZ2      TRP  37  14.332  34.472  -0.082
  301    HZ3  TRP  37           HZ3      TRP  37  11.249  31.865   1.389
  302    HH2  TRP  37           HH2      TRP  37  13.652  32.426   1.142
  303    H    ALA  38           H        ALA  38   6.617  35.774  -3.729
  304    HA   ALA  38           HA       ALA  38   4.202  36.388  -2.330
  305   1HB   ALA  38          3HB       ALA  38   4.749  35.974  -5.300
  306   2HB   ALA  38          2HB       ALA  38   3.266  36.691  -4.624
  307   3HB   ALA  38          1HB       ALA  38   4.828  37.513  -4.408
  308    H    ALA  39           H        ALA  39   5.007  33.715  -4.622
  309    HA   ALA  39           HA       ALA  39   2.514  32.386  -4.430
  310   1HB   ALA  39          1HB       ALA  39   4.250  32.011  -6.178
  311   2HB   ALA  39          3HB       ALA  39   5.270  31.206  -4.960
  312   3HB   ALA  39          2HB       ALA  39   3.703  30.498  -5.420
  313    H    ILE  40           H        ILE  40   5.520  32.082  -2.477
  314    HA   ILE  40           HA       ILE  40   4.763  29.794  -0.988
  315    HB   ILE  40           HB       ILE  40   6.639  32.121  -0.555
  316   1HG1  ILE  40          2HG1      ILE  40   7.174  29.127  -0.508
  317   2HG1  ILE  40          1HG1      ILE  40   7.055  30.030  -2.035
  318   1HG2  ILE  40          1HG2      ILE  40   5.865  29.991   1.480
  319   2HG2  ILE  40          3HG2      ILE  40   7.393  30.888   1.561
  320   3HG2  ILE  40          2HG2      ILE  40   5.853  31.756   1.695
  321   1HD1  ILE  40          2HD1      ILE  40   8.842  31.566  -1.263
  322   2HD1  ILE  40          1HD1      ILE  40   8.979  30.644   0.247
  323   3HD1  ILE  40          3HD1      ILE  40   9.406  29.879  -1.299
  324    H    LYS  41           H        LYS  41   4.166  33.288  -0.400
  325    HA   LYS  41           HA       LYS  41   2.905  32.862   2.143
  326   1HB   LYS  41          2HB       LYS  41   3.939  35.002   1.561
  327   2HB   LYS  41          1HB       LYS  41   2.862  35.181   0.159
  328   1HG   LYS  41          1HG       LYS  41   2.069  36.562   2.037
  329   2HG   LYS  41          2HG       LYS  41   0.894  35.279   1.683
  330   1HD   LYS  41          1HD       LYS  41   1.683  33.952   3.567
  331   2HD   LYS  41          2HD       LYS  41   3.043  35.068   3.841
  332   1HE   LYS  41          1HE       LYS  41   1.447  36.887   4.361
  333   2HE   LYS  41          2HE       LYS  41   0.086  35.786   4.064
  334   1HZ   LYS  41          3HZ       LYS  41   0.885  34.429   5.867
  335   2HZ   LYS  41          2HZ       LYS  41   2.134  35.469   6.148
  336   3HZ   LYS  41          1HZ       LYS  41   0.578  35.965   6.383
  337    H    GLU  42           H        GLU  42   1.839  33.018  -1.242
  338    HA   GLU  42           HA       GLU  42  -0.931  33.282  -0.694
  339   1HB   GLU  42          2HB       GLU  42   0.267  33.762  -2.873
  340   2HB   GLU  42          1HB       GLU  42   0.371  32.008  -3.129
  341   1HG   GLU  42          1HG       GLU  42  -1.579  32.802  -4.312
  342   2HG   GLU  42          2HG       GLU  42  -2.151  31.907  -2.890
  343    H    LEU  43           H        LEU  43   1.055  30.381  -1.541
  344    HA   LEU  43           HA       LEU  43  -1.227  28.597  -1.124
  345   1HB   LEU  43          2HB       LEU  43   1.638  28.355  -2.021
  346   2HB   LEU  43          1HB       LEU  43   0.819  26.903  -1.407
  347    HG   LEU  43           HG       LEU  43  -1.052  27.308  -3.032
  348   1HD1  LEU  43          1HD1      LEU  43   0.815  29.537  -3.956
  349   2HD1  LEU  43          3HD1      LEU  43  -0.509  28.886  -4.950
  350   3HD1  LEU  43          2HD1      LEU  43  -0.873  29.693  -3.410
  351   1HD2  LEU  43          1HD2      LEU  43   0.823  25.770  -3.557
  352   2HD2  LEU  43          2HD2      LEU  43   0.223  26.582  -5.021
  353   3HD2  LEU  43          3HD2      LEU  43   1.736  27.127  -4.260
  354    H    HIS  44           H        HIS  44   1.355  29.910   0.831
  355    HA   HIS  44           HA       HIS  44   1.892  29.628   3.038
  356   1HB   HIS  44          2HB       HIS  44  -0.139  27.468   3.457
  357   2HB   HIS  44          1HB       HIS  44   0.420  28.713   4.571
  358    HD1  HIS  44           HD1      HIS  44  -0.156  31.243   2.732
  359    HD2  HIS  44           HD2      HIS  44  -2.840  28.111   3.464
  360    HE1  HIS  44           HE1      HIS  44  -2.509  32.128   2.336
  361    H    TYR  45           H        TYR  45   3.814  28.703   3.189
  362    HA   TYR  45           HA       TYR  45   4.173  25.888   2.290
  363   1HB   TYR  45          2HB       TYR  45   5.500  27.666   1.196
  364   2HB   TYR  45          1HB       TYR  45   6.135  28.170   2.766
  365    HD1  TYR  45           HD1      TYR  45   5.877  24.560   2.540
  366    HD2  TYR  45           HD2      TYR  45   8.327  27.931   1.444
  367    HE1  TYR  45           HE1      TYR  45   7.815  23.054   2.244
  368    HE2  TYR  45           HE2      TYR  45  10.265  26.416   1.142
  369    HH   TYR  45           HH       TYR  45  10.028  22.885   1.682
  370    H    SER  46           H        SER  46   3.902  24.492   3.976
  371    HA   SER  46           HA       SER  46   4.877  25.219   6.666
  372   1HB   SER  46          1HB       SER  46   3.908  22.993   7.265
  373   2HB   SER  46          2HB       SER  46   2.726  24.085   6.505
  374    HG   SER  46           HG       SER  46   4.249  22.245   4.987
  375    HA   PRO  47           HA       PRO  47   8.749  23.328   5.371
  376   1HB   PRO  47          2HB       PRO  47  10.071  23.760   7.817
  377   2HB   PRO  47          1HB       PRO  47  10.035  24.876   6.428
  378   1HG   PRO  47          1HG       PRO  47   8.608  25.065   9.015
  379   2HG   PRO  47          2HG       PRO  47   8.931  26.339   7.802
  380   1HD   PRO  47          2HD       PRO  47   6.459  24.975   8.261
  381   2HD   PRO  47          1HD       PRO  47   6.845  26.093   6.920
  382    H    SER  48           H        SER  48   7.507  21.269   5.391
  383    HA   SER  48           HA       SER  48   7.110  19.131   6.099
  384   1HB   SER  48          1HB       SER  48   9.581  19.158   5.699
  385   2HB   SER  48          2HB       SER  48   9.823  19.485   7.431
  386    HG   SER  48           HG       SER  48   8.713  17.531   7.864
  387    H    ALA  49           H        ALA  49   5.731  20.920   7.709
  388    HA   ALA  49           HA       ALA  49   5.580  19.401  10.214
  389   1HB   ALA  49          2HB       ALA  49   6.220  22.382  10.158
  390   2HB   ALA  49          3HB       ALA  49   5.745  21.464  11.607
  391   3HB   ALA  49          1HB       ALA  49   7.272  21.084  10.774
  392    H    VAL  50           H        VAL  50   3.500  18.793   9.615
  393    HA   VAL  50           HA       VAL  50   1.551  20.659   8.624
  394    HB   VAL  50           HB       VAL  50  -0.054  18.816   9.036
  395   1HG1  VAL  50          2HG1      VAL  50   1.419  18.825   7.012
  396   2HG1  VAL  50          1HG1      VAL  50   2.591  17.812   7.892
  397   3HG1  VAL  50          3HG1      VAL  50   0.967  17.185   7.526
  398   1HG2  VAL  50          3HG2      VAL  50   2.327  17.424  10.348
  399   2HG2  VAL  50          1HG2      VAL  50   0.857  17.981  11.178
  400   3HG2  VAL  50          2HG2      VAL  50   0.760  16.670   9.982
  401    H    ALA  51           H        ALA  51  -0.322  21.474   9.722
  402    HA   ALA  51           HA       ALA  51  -0.399  21.345  12.654
  403   1HB   ALA  51          2HB       ALA  51   0.123  23.945  11.147
  404   2HB   ALA  51          1HB       ALA  51  -0.305  23.829  12.870
  405   3HB   ALA  51          3HB       ALA  51   1.230  23.143  12.286
  406    H    ARG  52           H        ARG  52  -2.405  20.300  12.153
  407    HA   ARG  52           HA       ARG  52  -4.658  20.210  11.793
  408   1HB   ARG  52          1HB       ARG  52  -4.384  22.205  13.456
  409   2HB   ARG  52          2HB       ARG  52  -4.758  23.230  12.050
  410   1HG   ARG  52          2HG       ARG  52  -6.858  21.903  11.695
  411   2HG   ARG  52          1HG       ARG  52  -6.488  20.973  13.161
  412   1HD   ARG  52          1HD       ARG  52  -6.560  23.031  14.512
  413   2HD   ARG  52          2HD       ARG  52  -6.834  23.999  13.049
  414    HE   ARG  52           HE       ARG  52  -9.066  23.379  13.049
  415   1HH1  ARG  52          2HH2      ARG  52  -7.241  21.262  15.231
  416   2HH1  ARG  52          1HH2      ARG  52  -8.665  20.534  15.932
  417   1HH2  ARG  52          2HH1      ARG  52 -10.937  22.394  13.964
  418   2HH2  ARG  52          1HH1      ARG  52 -10.772  21.160  15.190
  419    H    SER  53           H        SER  53  -3.059  20.213   9.489
  420    HA   SER  53           HA       SER  53  -4.132  22.102   7.545
  421   1HB   SER  53          2HB       SER  53  -2.821  20.636   5.950
  422   2HB   SER  53          1HB       SER  53  -1.856  21.330   7.275
  423    HG   SER  53           HG       SER  53  -2.971  18.716   7.165
  424    H    LEU  54           H        LEU  54  -6.421  21.496   8.206
  425    HA   LEU  54           HA       LEU  54  -7.438  18.905   7.381
  426   1HB   LEU  54          1HB       LEU  54  -8.813  21.537   8.085
  427   2HB   LEU  54          2HB       LEU  54  -9.656  19.992   7.827
  428    HG   LEU  54           HG       LEU  54  -7.439  20.339   9.897
  429   1HD1  LEU  54          3HD1      LEU  54 -10.461  20.541  10.256
  430   2HD1  LEU  54          1HD1      LEU  54  -9.259  20.528  11.569
  431   3HD1  LEU  54          2HD1      LEU  54  -9.300  21.881  10.413
  432   1HD2  LEU  54          2HD2      LEU  54  -9.605  18.248   9.404
  433   2HD2  LEU  54          3HD2      LEU  54  -7.843  18.019   9.297
  434   3HD2  LEU  54          1HD2      LEU  54  -8.606  18.313  10.875
  435    H    LYS  55           H        LYS  55  -6.471  18.917   5.210
  436    HA   LYS  55           HA       LYS  55  -6.655  19.049   2.941
  437   1HB   LYS  55          1HB       LYS  55  -9.451  20.161   3.418
  438   2HB   LYS  55          2HB       LYS  55  -8.837  19.398   1.938
  439   1HG   LYS  55          1HG       LYS  55  -8.394  17.302   3.305
  440   2HG   LYS  55          2HG       LYS  55  -9.261  18.073   4.654
  441   1HD   LYS  55          1HD       LYS  55 -10.436  17.620   1.872
  442   2HD   LYS  55          2HD       LYS  55 -10.718  16.561   3.275
  443   1HE   LYS  55          2HE       LYS  55 -11.589  18.599   4.522
  444   2HE   LYS  55          1HE       LYS  55 -11.501  19.494   2.990
  445   1HZ   LYS  55          2HZ       LYS  55 -12.995  17.889   2.041
  446   2HZ   LYS  55          3HZ       LYS  55 -13.087  17.069   3.470
  447   3HZ   LYS  55          1HZ       LYS  55 -13.675  18.607   3.362
  448    H    VAL  56           H        VAL  56  -5.261  21.073   4.169
  449    HA   VAL  56           HA       VAL  56  -5.737  23.328   2.300
  450    HB   VAL  56           HB       VAL  56  -5.348  23.549   5.323
  451   1HG1  VAL  56          1HG1      VAL  56  -5.214  25.664   3.126
  452   2HG1  VAL  56          2HG1      VAL  56  -5.362  26.035   4.862
  453   3HG1  VAL  56          3HG1      VAL  56  -3.915  25.204   4.252
  454   1HG2  VAL  56          3HG2      VAL  56  -7.538  24.484   3.414
  455   2HG2  VAL  56          2HG2      VAL  56  -7.681  23.229   4.663
  456   3HG2  VAL  56          1HG2      VAL  56  -7.443  24.923   5.135
   
  No H/Q in entry =         456
  Start of MODEL          14
 Raw file had  466 H/Q atoms
  Start of MODEL   14
    1   1H    MET   1          3H        MET   1  -1.587  26.626  -0.135
    2   2H    MET   1          2H        MET   1  -2.932  26.381  -1.059
    3   3H    MET   1          1H        MET   1  -3.085  26.682   0.557
    4    HA   MET   1           HA       MET   1  -2.032  24.647   1.125
    5   1HB   MET   1          2HB       MET   1  -4.204  24.161  -0.958
    6   2HB   MET   1          1HB       MET   1  -3.771  23.111   0.410
    7   1HG   MET   1          2HG       MET   1  -5.019  25.883   0.516
    8   2HG   MET   1          1HG       MET   1  -5.759  24.351   1.002
    9   1HE   MET   1          2HE       MET   1  -5.774  27.016   2.723
   10   2HE   MET   1          3HE       MET   1  -6.552  25.501   3.236
   11   3HE   MET   1          1HE       MET   1  -5.465  26.363   4.349
   12    H    ALA   2           H        ALA   2  -0.117  23.774   0.561
   13    HA   ALA   2           HA       ALA   2   0.136  22.295  -1.913
   14   1HB   ALA   2          3HB       ALA   2   0.550  24.627  -2.718
   15   2HB   ALA   2          1HB       ALA   2   1.874  24.774  -1.538
   16   3HB   ALA   2          2HB       ALA   2   1.988  23.593  -2.864
   17    H    THR   3           H        THR   3   2.822  21.905  -2.051
   18    HA   THR   3           HA       THR   3   3.736  21.323   0.719
   19    HB   THR   3           HB       THR   3   3.192  19.162   0.359
   20    HG1  THR   3           HG1      THR   3   5.318  19.236  -1.499
   21   1HG2  THR   3          2HG2      THR   3   3.215  19.752  -2.628
   22   2HG2  THR   3          1HG2      THR   3   2.852  18.156  -1.933
   23   3HG2  THR   3          3HG2      THR   3   1.786  19.537  -1.587
   24    H    ILE   4           H        ILE   4   4.628  21.216  -2.772
   25    HA   ILE   4           HA       ILE   4   6.824  22.989  -2.522
   26    HB   ILE   4           HB       ILE   4   7.679  20.934  -1.189
   27   1HG1  ILE   4          2HG1      ILE   4   9.382  21.606  -3.618
   28   2HG1  ILE   4          1HG1      ILE   4   9.059  22.807  -2.351
   29   1HG2  ILE   4          3HG2      ILE   4   6.742  19.272  -2.882
   30   2HG2  ILE   4          1HG2      ILE   4   8.058  19.764  -3.974
   31   3HG2  ILE   4          2HG2      ILE   4   8.433  19.011  -2.408
   32   1HD1  ILE   4          2HD1      ILE   4   9.922  21.152  -0.648
   33   2HD1  ILE   4          1HD1      ILE   4  10.396  20.093  -1.997
   34   3HD1  ILE   4          3HD1      ILE   4  11.149  21.693  -1.818
   35    H    LYS   5           H        LYS   5   5.325  20.230  -4.121
   36    HA   LYS   5           HA       LYS   5   6.526  20.158  -6.590
   37   1HB   LYS   5          1HB       LYS   5   3.529  19.948  -6.103
   38   2HB   LYS   5          2HB       LYS   5   4.480  19.147  -7.366
   39   1HG   LYS   5          1HG       LYS   5   5.821  18.128  -5.343
   40   2HG   LYS   5          2HG       LYS   5   4.398  18.598  -4.384
   41   1HD   LYS   5          2HD       LYS   5   4.505  16.695  -6.770
   42   2HD   LYS   5          1HD       LYS   5   4.054  16.310  -5.094
   43   1HE   LYS   5          2HE       LYS   5   2.499  18.054  -7.062
   44   2HE   LYS   5          1HE       LYS   5   2.031  16.455  -6.451
   45   1HZ   LYS   5          1HZ       LYS   5   1.911  17.420  -4.253
   46   2HZ   LYS   5          3HZ       LYS   5   2.281  18.908  -4.856
   47   3HZ   LYS   5          2HZ       LYS   5   0.878  18.167  -5.300
   48    H    ASP   6           H        ASP   6   3.434  21.858  -6.037
   49    HA   ASP   6           HA       ASP   6   3.331  23.191  -8.474
   50   1HB   ASP   6          1HB       ASP   6   2.268  23.907  -5.716
   51   2HB   ASP   6          2HB       ASP   6   1.865  24.834  -7.174
   52    H    VAL   7           H        VAL   7   4.472  24.590  -5.345
   53    HA   VAL   7           HA       VAL   7   5.146  27.111  -6.295
   54    HB   VAL   7           HB       VAL   7   6.415  25.403  -4.114
   55   1HG1  VAL   7          2HG1      VAL   7   6.814  28.353  -4.797
   56   2HG1  VAL   7          1HG1      VAL   7   7.274  27.615  -3.245
   57   3HG1  VAL   7          3HG1      VAL   7   8.064  27.085  -4.746
   58   1HG2  VAL   7          3HG2      VAL   7   4.321  27.616  -4.202
   59   2HG2  VAL   7          1HG2      VAL   7   4.099  25.932  -3.670
   60   3HG2  VAL   7          2HG2      VAL   7   5.083  27.051  -2.701
   61    H    ALA   8           H        ALA   8   7.148  24.126  -6.385
   62    HA   ALA   8           HA       ALA   8   9.576  25.282  -7.119
   63   1HB   ALA   8          3HB       ALA   8   8.358  22.629  -7.971
   64   2HB   ALA   8          2HB       ALA   8  10.069  23.057  -8.121
   65   3HB   ALA   8          1HB       ALA   8   9.326  22.932  -6.512
   66    H    LYS   9           H        LYS   9   7.208  23.843  -9.470
   67    HA   LYS   9           HA       LYS   9   8.715  25.044 -11.673
   68   1HB   LYS   9          1HB       LYS   9   5.996  23.663 -11.747
   69   2HB   LYS   9          2HB       LYS   9   7.144  23.876 -13.086
   70   1HG   LYS   9          1HG       LYS   9   8.810  22.566 -11.514
   71   2HG   LYS   9          2HG       LYS   9   7.335  22.052 -10.672
   72   1HD   LYS   9          2HD       LYS   9   7.639  20.342 -12.261
   73   2HD   LYS   9          1HD       LYS   9   6.462  21.413 -13.053
   74   1HE   LYS   9          2HE       LYS   9   8.177  20.816 -14.672
   75   2HE   LYS   9          1HE       LYS   9   8.376  22.532 -14.259
   76   1HZ   LYS   9          1HZ       LYS   9   9.907  20.384 -12.973
   77   2HZ   LYS   9          3HZ       LYS   9  10.433  21.194 -14.307
   78   3HZ   LYS   9          2HZ       LYS   9  10.188  22.010 -12.895
   79    H    ARG  10           H        ARG  10   5.624  25.665  -9.976
   80    HA   ARG  10           HA       ARG  10   4.591  27.606 -11.745
   81   1HB   ARG  10          1HB       ARG  10   3.474  26.490  -9.736
   82   2HB   ARG  10          2HB       ARG  10   4.334  27.664  -8.714
   83   1HG   ARG  10          2HG       ARG  10   3.275  29.523  -9.960
   84   2HG   ARG  10          1HG       ARG  10   2.445  28.353 -11.013
   85   1HD   ARG  10          1HD       ARG  10   2.094  28.669  -8.000
   86   2HD   ARG  10          2HD       ARG  10   0.911  29.106  -9.248
   87    HE   ARG  10           HE       ARG  10   1.446  26.454  -8.164
   88   1HH1  ARG  10          1HH2      ARG  10   0.263  28.239 -10.986
   89   2HH1  ARG  10          2HH2      ARG  10  -0.733  26.926 -11.569
   90   1HH2  ARG  10          1HH1      ARG  10   0.154  24.701  -8.955
   91   2HH2  ARG  10          2HH1      ARG  10  -0.779  24.910 -10.424
   92    H    ALA  11           H        ALA  11   7.082  27.812  -9.164
   93    HA   ALA  11           HA       ALA  11   7.305  30.709  -9.393
   94   1HB   ALA  11          2HB       ALA  11   9.173  28.628  -8.179
   95   2HB   ALA  11          3HB       ALA  11   9.316  30.389  -7.992
   96   3HB   ALA  11          1HB       ALA  11   7.912  29.540  -7.311
   97    H    ASN  12           H        ASN  12   9.517  27.949 -10.248
   98    HA   ASN  12           HA       ASN  12   9.990  28.816 -12.890
   99   1HB   ASN  12          1HB       ASN  12  12.480  29.553 -12.339
  100   2HB   ASN  12          2HB       ASN  12  11.154  30.723 -12.384
  101   1HD2  ASN  12          1HD2      ASN  12  12.425  29.517  -8.603
  102   2HD2  ASN  12          2HD2      ASN  12  12.237  28.333  -9.877
  103    H    VAL  13           H        VAL  13  10.841  27.178 -13.962
  104    HA   VAL  13           HA       VAL  13  11.769  25.156 -14.427
  105    HB   VAL  13           HB       VAL  13  13.886  26.116 -12.455
  106   1HG1  VAL  13          1HG1      VAL  13  13.974  24.170 -14.807
  107   2HG1  VAL  13          2HG1      VAL  13  15.399  24.757 -13.919
  108   3HG1  VAL  13          3HG1      VAL  13  14.189  23.754 -13.091
  109   1HG2  VAL  13          3HG2      VAL  13  13.470  26.637 -15.427
  110   2HG2  VAL  13          1HG2      VAL  13  13.433  27.840 -14.119
  111   3HG2  VAL  13          2HG2      VAL  13  14.959  27.028 -14.535
  112    H    SER  14           H        SER  14  13.225  24.902 -11.184
  113    HA   SER  14           HA       SER  14  11.136  23.027 -10.295
  114   1HB   SER  14          2HB       SER  14  14.020  22.188 -10.835
  115   2HB   SER  14          1HB       SER  14  12.805  21.195  -9.995
  116    HG   SER  14           HG       SER  14  13.038  20.797 -12.298
  117    H    THR  15           H        THR  15  12.146  21.913  -8.152
  118    HA   THR  15           HA       THR  15  12.214  23.890  -6.187
  119    HB   THR  15           HB       THR  15  13.510  21.144  -5.975
  120    HG1  THR  15           HG1      THR  15  10.770  21.804  -5.672
  121   1HG2  THR  15          1HG2      THR  15  11.987  22.910  -4.004
  122   2HG2  THR  15          2HG2      THR  15  12.608  21.278  -3.661
  123   3HG2  THR  15          3HG2      THR  15  13.742  22.606  -3.999
  124    H    THR  16           H        THR  16  14.916  22.410  -7.994
  125    HA   THR  16           HA       THR  16  17.083  23.149  -6.406
  126    HB   THR  16           HB       THR  16  18.297  23.290  -8.668
  127    HG1  THR  16           HG1      THR  16  16.649  23.905 -10.003
  128   1HG2  THR  16          3HG2      THR  16  18.096  21.200  -7.350
  129   2HG2  THR  16          2HG2      THR  16  16.520  20.873  -8.109
  130   3HG2  THR  16          1HG2      THR  16  17.999  20.872  -9.096
  131    H    THR  17           H        THR  17  15.377  25.108  -8.906
  132    HA   THR  17           HA       THR  17  17.083  27.384  -8.671
  133    HB   THR  17           HB       THR  17  14.168  27.274  -9.544
  134    HG1  THR  17           HG1      THR  17  16.556  26.843 -11.022
  135   1HG2  THR  17          1HG2      THR  17  16.500  29.111 -10.261
  136   2HG2  THR  17          3HG2      THR  17  14.884  29.163 -11.006
  137   3HG2  THR  17          2HG2      THR  17  15.080  29.553  -9.281
  138    H    VAL  18           H        VAL  18  13.877  26.600  -7.204
  139    HA   VAL  18           HA       VAL  18  13.577  29.043  -5.791
  140    HB   VAL  18           HB       VAL  18  12.533  26.242  -5.180
  141   1HG1  VAL  18          1HG1      VAL  18  11.744  28.988  -4.110
  142   2HG1  VAL  18          2HG1      VAL  18  10.746  27.526  -3.928
  143   3HG1  VAL  18          3HG1      VAL  18  12.353  27.603  -3.170
  144   1HG2  VAL  18          3HG2      VAL  18  11.396  28.628  -6.703
  145   2HG2  VAL  18          1HG2      VAL  18  11.816  27.033  -7.372
  146   3HG2  VAL  18          2HG2      VAL  18  10.450  27.196  -6.244
  147    H    SER  19           H        SER  19  15.345  26.039  -5.003
  148    HA   SER  19           HA       SER  19  15.766  26.524  -2.248
  149   1HB   SER  19          1HB       SER  19  16.263  24.408  -3.627
  150   2HB   SER  19          2HB       SER  19  17.777  25.212  -4.111
  151    HG   SER  19           HG       SER  19  16.906  24.660  -1.462
  152    H    HIS  20           H        HIS  20  17.663  27.525  -5.147
  153    HA   HIS  20           HA       HIS  20  19.822  28.696  -3.765
  154   1HB   HIS  20          2HB       HIS  20  18.540  29.291  -6.444
  155   2HB   HIS  20          1HB       HIS  20  19.987  30.130  -5.874
  156    HD1  HIS  20           HD1      HIS  20  21.952  28.226  -4.969
  157    HD2  HIS  20           HD2      HIS  20  19.234  27.173  -7.946
  158    HE1  HIS  20           HE1      HIS  20  22.932  26.245  -6.234
  159    H    VAL  21           H        VAL  21  16.634  30.044  -4.692
  160    HA   VAL  21           HA       VAL  21  17.149  32.750  -4.066
  161    HB   VAL  21           HB       VAL  21  14.550  31.195  -3.684
  162   1HG1  VAL  21          1HG1      VAL  21  15.196  34.158  -3.958
  163   2HG1  VAL  21          2HG1      VAL  21  13.557  33.487  -4.121
  164   3HG1  VAL  21          3HG1      VAL  21  14.426  33.346  -2.577
  165   1HG2  VAL  21          2HG2      VAL  21  15.819  32.580  -6.075
  166   2HG2  VAL  21          3HG2      VAL  21  15.262  30.899  -5.957
  167   3HG2  VAL  21          1HG2      VAL  21  14.081  32.222  -5.986
  168    H    ILE  22           H        ILE  22  15.801  30.156  -1.939
  169    HA   ILE  22           HA       ILE  22  15.714  31.807   0.402
  170    HB   ILE  22           HB       ILE  22  15.878  28.768   0.128
  171   1HG1  ILE  22          1HG1      ILE  22  13.422  30.559   0.452
  172   2HG1  ILE  22          2HG1      ILE  22  13.973  29.925  -1.113
  173   1HG2  ILE  22          1HG2      ILE  22  16.392  29.597   2.414
  174   2HG2  ILE  22          3HG2      ILE  22  14.893  30.553   2.406
  175   3HG2  ILE  22          2HG2      ILE  22  14.821  28.776   2.377
  176   1HD1  ILE  22          3HD1      ILE  22  13.848  27.591  -0.093
  177   2HD1  ILE  22          1HD1      ILE  22  13.013  28.331   1.294
  178   3HD1  ILE  22          2HD1      ILE  22  12.288  28.412  -0.326
  179    H    ASN  23           H        ASN  23  18.126  29.514  -0.915
  180    HA   ASN  23           HA       ASN  23  19.930  29.608   1.300
  181   1HB   ASN  23          1HB       ASN  23  19.738  27.919  -0.634
  182   2HB   ASN  23          2HB       ASN  23  20.629  29.100  -1.614
  183   1HD2  ASN  23          1HD2      ASN  23  23.211  26.811  -0.379
  184   2HD2  ASN  23          2HD2      ASN  23  21.868  26.803  -1.504
  185    H    LYS  24           H        LYS  24  19.234  31.856  -1.289
  186    HA   LYS  24           HA       LYS  24  20.070  33.911  -1.805
  187   1HB   LYS  24          2HB       LYS  24  20.112  34.020   0.800
  188   2HB   LYS  24          1HB       LYS  24  21.871  33.816   0.633
  189   1HG   LYS  24          2HG       LYS  24  21.922  35.787  -0.909
  190   2HG   LYS  24          1HG       LYS  24  20.174  36.006  -0.651
  191   1HD   LYS  24          2HD       LYS  24  20.569  36.301   1.779
  192   2HD   LYS  24          1HD       LYS  24  22.317  36.074   1.523
  193   1HE   LYS  24          1HE       LYS  24  22.350  38.053   0.023
  194   2HE   LYS  24          2HE       LYS  24  20.608  38.282   0.290
  195   1HZ   LYS  24          1HZ       LYS  24  21.073  38.606   2.612
  196   2HZ   LYS  24          3HZ       LYS  24  22.690  38.395   2.362
  197   3HZ   LYS  24          2HZ       LYS  24  21.914  39.691   1.698
  198    H    THR  25           H        THR  25  21.094  31.874  -3.220
  199    HA   THR  25           HA       THR  25  24.055  32.162  -3.216
  200    HB   THR  25           HB       THR  25  23.560  30.326  -5.149
  201    HG1  THR  25           HG1      THR  25  21.421  30.083  -3.302
  202   1HG2  THR  25          3HG2      THR  25  23.474  29.844  -2.133
  203   2HG2  THR  25          1HG2      THR  25  23.818  28.602  -3.362
  204   3HG2  THR  25          2HG2      THR  25  24.938  29.967  -3.138
  205    H    ARG  26           H        ARG  26  21.854  31.620  -6.006
  206    HA   ARG  26           HA       ARG  26  23.281  33.752  -7.450
  207   1HB   ARG  26          2HB       ARG  26  22.298  32.859  -9.422
  208   2HB   ARG  26          1HB       ARG  26  22.723  31.451  -8.424
  209   1HG   ARG  26          1HG       ARG  26  20.353  31.372  -7.597
  210   2HG   ARG  26          2HG       ARG  26  19.956  32.725  -8.678
  211   1HD   ARG  26          2HD       ARG  26  19.329  30.732  -9.844
  212   2HD   ARG  26          1HD       ARG  26  20.827  31.315 -10.603
  213    HE   ARG  26           HE       ARG  26  21.366  29.415  -8.485
  214   1HH1  ARG  26          2HH1      ARG  26  20.421  29.761 -11.883
  215   2HH1  ARG  26          1HH1      ARG  26  20.943  28.156 -12.334
  216   1HH2  ARG  26          1HH2      ARG  26  21.904  27.229  -9.061
  217   2HH2  ARG  26          2HH2      ARG  26  21.922  26.769 -10.751
  218    H    PHE  27           H        PHE  27  22.161  35.503  -8.535
  219    HA   PHE  27           HA       PHE  27  19.566  36.217  -7.240
  220   1HB   PHE  27          1HB       PHE  27  21.591  37.483  -6.398
  221   2HB   PHE  27          2HB       PHE  27  21.779  38.133  -8.035
  222    HD1  PHE  27           HD2      PHE  27  19.460  37.961  -5.108
  223    HD2  PHE  27           HD1      PHE  27  20.439  39.968  -8.795
  224    HE1  PHE  27           HE2      PHE  27  17.811  39.743  -4.578
  225    HE2  PHE  27           HE1      PHE  27  18.789  41.749  -8.259
  226    HZ   PHE  27           HZ       PHE  27  17.475  41.636  -6.156
  227    H    VAL  28           H        VAL  28  18.039  37.224  -8.520
  228    HA   VAL  28           HA       VAL  28  18.672  37.606 -11.402
  229    HB   VAL  28           HB       VAL  28  16.071  36.330 -10.461
  230   1HG1  VAL  28          3HG1      VAL  28  17.558  36.614 -13.099
  231   2HG1  VAL  28          2HG1      VAL  28  16.271  35.408 -12.877
  232   3HG1  VAL  28          1HG1      VAL  28  15.906  37.134 -12.695
  233   1HG2  VAL  28          2HG2      VAL  28  18.660  34.920 -11.262
  234   2HG2  VAL  28          3HG2      VAL  28  17.821  34.800  -9.697
  235   3HG2  VAL  28          1HG2      VAL  28  17.072  34.124 -11.159
  236    H    ALA  29           H        ALA  29  16.680  38.829 -12.418
  237    HA   ALA  29           HA       ALA  29  16.407  41.331 -11.269
  238   1HB   ALA  29          1HB       ALA  29  15.786  40.764 -13.593
  239   2HB   ALA  29          3HB       ALA  29  14.385  39.840 -12.996
  240   3HB   ALA  29          2HB       ALA  29  14.455  41.603 -12.761
  241    H    GLU  30           H        GLU  30  14.794  42.398 -10.061
  242    HA   GLU  30           HA       GLU  30  13.887  41.128  -7.751
  243   1HB   GLU  30          1HB       GLU  30  12.970  43.617  -9.234
  244   2HB   GLU  30          2HB       GLU  30  12.236  43.123  -7.692
  245   1HG   GLU  30          2HG       GLU  30  14.022  44.700  -7.217
  246   2HG   GLU  30          1HG       GLU  30  14.524  43.095  -6.656
  247    H    GLU  31           H        GLU  31  12.396  41.221 -10.960
  248    HA   GLU  31           HA       GLU  31   9.735  40.595 -10.289
  249   1HB   GLU  31          1HB       GLU  31  10.609  41.229 -12.552
  250   2HB   GLU  31          2HB       GLU  31  11.344  39.615 -12.689
  251   1HG   GLU  31          2HG       GLU  31   9.134  38.561 -12.490
  252   2HG   GLU  31          1HG       GLU  31   8.375  40.147 -12.233
  253    H    THR  32           H        THR  32  12.554  38.380 -10.891
  254    HA   THR  32           HA       THR  32  11.048  35.977 -10.556
  255    HB   THR  32           HB       THR  32  14.004  36.392  -9.990
  256    HG1  THR  32           HG1      THR  32  12.618  36.100 -12.450
  257   1HG2  THR  32          1HG2      THR  32  12.385  34.054 -11.097
  258   2HG2  THR  32          2HG2      THR  32  14.151  34.078 -10.889
  259   3HG2  THR  32          3HG2      THR  32  13.086  34.155  -9.466
  260    H    ARG  33           H        ARG  33  13.157  37.842  -8.297
  261    HA   ARG  33           HA       ARG  33  12.898  36.150  -6.064
  262   1HB   ARG  33          1HB       ARG  33  13.231  39.177  -6.259
  263   2HB   ARG  33          2HB       ARG  33  13.423  38.252  -4.752
  264   1HG   ARG  33          2HG       ARG  33  14.989  37.513  -7.251
  265   2HG   ARG  33          1HG       ARG  33  15.562  38.789  -6.156
  266   1HD   ARG  33          1HD       ARG  33  15.845  37.312  -4.351
  267   2HD   ARG  33          2HD       ARG  33  14.753  36.097  -5.037
  268    HE   ARG  33           HE       ARG  33  17.601  36.405  -5.565
  269   1HH1  ARG  33          1HH2      ARG  33  14.570  35.476  -7.124
  270   2HH1  ARG  33          2HH2      ARG  33  15.276  34.165  -8.039
  271   1HH2  ARG  33          2HH1      ARG  33  18.500  34.523  -6.620
  272   2HH2  ARG  33          1HH1      ARG  33  17.524  33.661  -7.792
  273    H    ASN  34           H        ASN  34  10.922  39.008  -6.996
  274    HA   ASN  34           HA       ASN  34   9.124  38.917  -4.824
  275   1HB   ASN  34          2HB       ASN  34   9.324  40.836  -6.327
  276   2HB   ASN  34          1HB       ASN  34   8.736  39.864  -7.693
  277   1HD2  ASN  34          1HD2      ASN  34   6.103  41.159  -4.756
  278   2HD2  ASN  34          2HD2      ASN  34   7.824  41.100  -4.445
  279    H    ALA  35           H        ALA  35   8.884  37.432  -8.112
  280    HA   ALA  35           HA       ALA  35   6.314  36.311  -7.803
  281   1HB   ALA  35          1HB       ALA  35   8.705  35.292  -9.392
  282   2HB   ALA  35          2HB       ALA  35   7.014  34.788  -9.629
  283   3HB   ALA  35          3HB       ALA  35   7.494  36.470  -9.952
  284    H    VAL  36           H        VAL  36   9.551  34.934  -7.008
  285    HA   VAL  36           HA       VAL  36   8.640  32.351  -6.264
  286    HB   VAL  36           HB       VAL  36  11.053  34.015  -5.436
  287   1HG1  VAL  36          1HG1      VAL  36  10.298  31.143  -4.762
  288   2HG1  VAL  36          2HG1      VAL  36  11.977  31.731  -4.721
  289   3HG1  VAL  36          3HG1      VAL  36  10.759  32.445  -3.640
  290   1HG2  VAL  36          3HG2      VAL  36  10.603  33.075  -7.861
  291   2HG2  VAL  36          1HG2      VAL  36  12.202  32.850  -7.120
  292   3HG2  VAL  36          2HG2      VAL  36  11.032  31.513  -7.134
  293    H    TRP  37           H        TRP  37   9.438  35.184  -4.138
  294    HA   TRP  37           HA       TRP  37   8.564  33.940  -1.742
  295   1HB   TRP  37          2HB       TRP  37   8.786  36.855  -2.550
  296   2HB   TRP  37          1HB       TRP  37   8.438  36.314  -0.901
  297    HD1  TRP  37           HD1      TRP  37  11.195  37.536  -2.734
  298    HE1  TRP  37           HE1      TRP  37  13.489  36.753  -1.864
  299    HE3  TRP  37           HE3      TRP  37   9.661  33.615   0.186
  300    HZ2  TRP  37           HZ2      TRP  37  14.507  34.712  -0.144
  301    HZ3  TRP  37           HZ3      TRP  37  11.334  32.275   1.429
  302    HH2  TRP  37           HH2      TRP  37  13.751  32.819   1.269
  303    H    ALA  38           H        ALA  38   6.799  35.943  -4.138
  304    HA   ALA  38           HA       ALA  38   4.405  36.246  -2.646
  305   1HB   ALA  38          3HB       ALA  38   4.855  36.073  -5.656
  306   2HB   ALA  38          2HB       ALA  38   3.367  36.656  -4.871
  307   3HB   ALA  38          1HB       ALA  38   4.890  37.551  -4.663
  308    H    ALA  39           H        ALA  39   5.306  33.801  -5.154
  309    HA   ALA  39           HA       ALA  39   2.942  32.279  -5.030
  310   1HB   ALA  39          1HB       ALA  39   5.805  31.380  -5.570
  311   2HB   ALA  39          3HB       ALA  39   4.337  30.465  -5.985
  312   3HB   ALA  39          2HB       ALA  39   4.664  32.028  -6.772
  313    H    ILE  40           H        ILE  40   5.981  31.983  -3.110
  314    HA   ILE  40           HA       ILE  40   5.323  29.634  -1.709
  315    HB   ILE  40           HB       ILE  40   7.059  32.044  -1.103
  316   1HG1  ILE  40          2HG1      ILE  40   7.802  29.112  -1.429
  317   2HG1  ILE  40          1HG1      ILE  40   7.585  30.181  -2.831
  318   1HG2  ILE  40          2HG2      ILE  40   6.500  29.636   0.673
  319   2HG2  ILE  40          1HG2      ILE  40   7.961  30.633   0.831
  320   3HG2  ILE  40          3HG2      ILE  40   6.364  31.354   1.099
  321   1HD1  ILE  40          1HD1      ILE  40   9.272  31.757  -1.805
  322   2HD1  ILE  40          2HD1      ILE  40   9.579  30.534  -0.552
  323   3HD1  ILE  40          3HD1      ILE  40   9.942  30.173  -2.253
  324    H    LYS  41           H        LYS  41   4.317  33.029  -1.096
  325    HA   LYS  41           HA       LYS  41   3.123  32.351   1.481
  326   1HB   LYS  41          1HB       LYS  41   3.641  34.772  -0.149
  327   2HB   LYS  41          2HB       LYS  41   2.086  34.806   0.710
  328   1HG   LYS  41          1HG       LYS  41   3.810  35.767   2.145
  329   2HG   LYS  41          2HG       LYS  41   3.271  34.217   2.831
  330   1HD   LYS  41          1HD       LYS  41   5.241  33.082   1.896
  331   2HD   LYS  41          2HD       LYS  41   5.745  34.574   1.074
  332   1HE   LYS  41          2HE       LYS  41   7.049  34.319   3.114
  333   2HE   LYS  41          1HE       LYS  41   5.939  35.694   3.307
  334   1HZ   LYS  41          2HZ       LYS  41   5.454  32.977   4.319
  335   2HZ   LYS  41          1HZ       LYS  41   5.992  34.246   5.226
  336   3HZ   LYS  41          3HZ       LYS  41   4.488  34.292   4.553
  337    H    GLU  42           H        GLU  42   1.993  33.100  -1.841
  338    HA   GLU  42           HA       GLU  42  -0.757  33.067  -1.299
  339   1HB   GLU  42          2HB       GLU  42   0.870  32.443  -3.782
  340   2HB   GLU  42          1HB       GLU  42  -0.909  32.467  -3.793
  341   1HG   GLU  42          2HG       GLU  42   0.746  34.799  -2.749
  342   2HG   GLU  42          1HG       GLU  42   0.278  34.652  -4.455
  343    H    LEU  43           H        LEU  43   1.417  30.378  -2.319
  344    HA   LEU  43           HA       LEU  43  -0.785  28.461  -2.233
  345   1HB   LEU  43          2HB       LEU  43   2.178  28.347  -2.837
  346   2HB   LEU  43          1HB       LEU  43   1.265  26.854  -2.542
  347    HG   LEU  43           HG       LEU  43  -0.447  27.848  -4.284
  348   1HD1  LEU  43          1HD1      LEU  43   2.120  29.344  -4.983
  349   2HD1  LEU  43          2HD1      LEU  43   0.686  29.224  -6.027
  350   3HD1  LEU  43          3HD1      LEU  43   0.582  30.079  -4.475
  351   1HD2  LEU  43          2HD2      LEU  43   0.922  25.818  -4.628
  352   2HD2  LEU  43          3HD2      LEU  43   0.811  26.779  -6.118
  353   3HD2  LEU  43          1HD2      LEU  43   2.294  26.827  -5.137
  354    H    HIS  44           H        HIS  44   0.954  29.990   0.189
  355    HA   HIS  44           HA       HIS  44   1.240  29.579   2.423
  356   1HB   HIS  44          2HB       HIS  44  -0.646  27.242   2.041
  357   2HB   HIS  44          1HB       HIS  44  -0.334  28.137   3.533
  358    HD1  HIS  44           HD1      HIS  44  -0.529  30.998   1.777
  359    HD2  HIS  44           HD2      HIS  44  -3.410  28.003   2.281
  360    HE1  HIS  44           HE1      HIS  44  -2.812  32.040   1.355
  361    H    TYR  45           H        TYR  45   3.021  28.271   0.475
  362    HA   TYR  45           HA       TYR  45   3.628  25.597   1.239
  363   1HB   TYR  45          2HB       TYR  45   4.541  26.395  -0.778
  364   2HB   TYR  45          1HB       TYR  45   5.188  27.859  -0.028
  365    HD1  TYR  45           HD2      TYR  45   7.233  27.741   1.407
  366    HD2  TYR  45           HD1      TYR  45   5.790  24.317  -0.782
  367    HE1  TYR  45           HE2      TYR  45   9.426  26.628   1.709
  368    HE2  TYR  45           HE1      TYR  45   7.988  23.205  -0.452
  369    HH   TYR  45           HH       TYR  45  10.686  24.764   1.300
  370    H    SER  46           H        SER  46   4.787  24.741   2.910
  371    HA   SER  46           HA       SER  46   6.528  26.392   4.557
  372   1HB   SER  46          1HB       SER  46   4.303  26.970   5.473
  373   2HB   SER  46          2HB       SER  46   3.957  25.239   5.716
  374    HG   SER  46           HG       SER  46   6.021  26.777   6.923
  375    HA   PRO  47           HA       PRO  47   8.017  22.140   4.531
  376   1HB   PRO  47          2HB       PRO  47  10.491  22.739   5.719
  377   2HB   PRO  47          1HB       PRO  47  10.141  22.789   3.970
  378   1HG   PRO  47          1HG       PRO  47  10.500  25.035   5.875
  379   2HG   PRO  47          2HG       PRO  47  10.613  25.028   4.092
  380   1HD   PRO  47          1HD       PRO  47   8.437  25.989   5.686
  381   2HD   PRO  47          2HD       PRO  47   8.474  25.798   3.906
  382    H    SER  48           H        SER  48   6.194  22.025   6.226
  383    HA   SER  48           HA       SER  48   6.975  22.260   9.025
  384   1HB   SER  48          1HB       SER  48   4.662  21.183   9.316
  385   2HB   SER  48          2HB       SER  48   4.704  22.769   8.512
  386    HG   SER  48           HG       SER  48   4.376  21.812   6.577
  387    H    ALA  49           H        ALA  49   5.935  19.533   6.892
  388    HA   ALA  49           HA       ALA  49   6.919  17.569   8.814
  389   1HB   ALA  49          3HB       ALA  49   4.870  17.192   7.482
  390   2HB   ALA  49          2HB       ALA  49   5.831  17.267   5.985
  391   3HB   ALA  49          1HB       ALA  49   6.096  15.948   7.149
  392    H    VAL  50           H        VAL  50   9.079  19.126   8.282
  393    HA   VAL  50           HA       VAL  50  10.604  18.183   6.011
  394    HB   VAL  50           HB       VAL  50  10.895  20.437   6.957
  395   1HG1  VAL  50          1HG1      VAL  50  10.623  19.476   9.424
  396   2HG1  VAL  50          3HG1      VAL  50  12.392  19.319   9.327
  397   3HG1  VAL  50          2HG1      VAL  50  11.629  20.908   9.115
  398   1HG2  VAL  50          2HG2      VAL  50  12.757  19.338   5.737
  399   2HG2  VAL  50          1HG2      VAL  50  13.355  20.453   6.989
  400   3HG2  VAL  50          3HG2      VAL  50  13.381  18.699   7.277
  401    H    ALA  51           H        ALA  51  10.818  15.979   6.032
  402    HA   ALA  51           HA       ALA  51  11.632  13.923   6.598
  403   1HB   ALA  51          3HB       ALA  51  13.769  15.237   6.523
  404   2HB   ALA  51          1HB       ALA  51  13.638  15.481   8.282
  405   3HB   ALA  51          2HB       ALA  51  13.829  13.840   7.622
  406    H    ARG  52           H        ARG  52   9.390  14.770   8.086
  407    HA   ARG  52           HA       ARG  52   9.660  13.007  10.394
  408   1HB   ARG  52          2HB       ARG  52   8.864  14.714  12.032
  409   2HB   ARG  52          1HB       ARG  52  10.485  15.077  11.401
  410   1HG   ARG  52          1HG       ARG  52   9.598  16.745   9.881
  411   2HG   ARG  52          2HG       ARG  52   7.928  16.284  10.262
  412   1HD   ARG  52          2HD       ARG  52   9.887  17.332  12.336
  413   2HD   ARG  52          1HD       ARG  52   8.768  18.376  11.430
  414    HE   ARG  52           HE       ARG  52   7.341  16.191  12.633
  415   1HH1  ARG  52          2HH2      ARG  52   8.958  19.245  13.405
  416   2HH1  ARG  52          1HH2      ARG  52   7.967  19.575  14.805
  417   1HH2  ARG  52          1HH1      ARG  52   6.022  16.638  14.475
  418   2HH2  ARG  52          2HH1      ARG  52   6.289  18.089  15.414
  419    H    SER  53           H        SER  53   8.206  12.916   7.931
  420    HA   SER  53           HA       SER  53   5.526  13.843   8.179
  421   1HB   SER  53          1HB       SER  53   6.540  11.394   6.678
  422   2HB   SER  53          2HB       SER  53   5.079  12.349   6.325
  423    HG   SER  53           HG       SER  53   6.497  14.142   5.952
  424    H    LEU  54           H        LEU  54   4.037  13.246   9.647
  425    HA   LEU  54           HA       LEU  54   4.379  11.025  11.406
  426   1HB   LEU  54          1HB       LEU  54   3.098  13.034  12.015
  427   2HB   LEU  54          2HB       LEU  54   1.930  12.709  10.715
  428    HG   LEU  54           HG       LEU  54   1.322  10.550  11.825
  429   1HD1  LEU  54          1HD1      LEU  54   3.331  11.532  13.895
  430   2HD1  LEU  54          2HD1      LEU  54   2.102  10.293  14.243
  431   3HD1  LEU  54          3HD1      LEU  54   3.346   9.987  13.013
  432   1HD2  LEU  54          2HD2      LEU  54   0.063  12.633  12.309
  433   2HD2  LEU  54          1HD2      LEU  54   0.115  11.557  13.726
  434   3HD2  LEU  54          3HD2      LEU  54   1.175  12.985  13.654
  435    H    LYS  55           H        LYS  55   4.051   8.918  11.022
  436    HA   LYS  55           HA       LYS  55   1.913   8.093   9.129
  437   1HB   LYS  55          2HB       LYS  55   4.841   7.252   9.044
  438   2HB   LYS  55          1HB       LYS  55   3.535   6.344   8.244
  439   1HG   LYS  55          1HG       LYS  55   2.910   8.414   6.981
  440   2HG   LYS  55          2HG       LYS  55   4.292   9.254   7.723
  441   1HD   LYS  55          1HD       LYS  55   5.845   7.609   6.731
  442   2HD   LYS  55          2HD       LYS  55   4.471   6.735   6.010
  443   1HE   LYS  55          1HE       LYS  55   3.867   8.745   4.702
  444   2HE   LYS  55          2HE       LYS  55   5.214   9.640   5.437
  445   1HZ   LYS  55          3HZ       LYS  55   6.714   8.064   4.445
  446   2HZ   LYS  55          1HZ       LYS  55   5.461   7.242   3.757
  447   3HZ   LYS  55          2HZ       LYS  55   5.788   8.789   3.290
  448    H    VAL  56           H        VAL  56   4.466   6.981  11.419
  449    HA   VAL  56           HA       VAL  56   2.423   5.271  12.751
  450    HB   VAL  56           HB       VAL  56   5.287   4.472  12.041
  451   1HG1  VAL  56          2HG1      VAL  56   3.046   3.009  13.512
  452   2HG1  VAL  56          1HG1      VAL  56   4.571   2.259  12.985
  453   3HG1  VAL  56          3HG1      VAL  56   4.594   3.550  14.205
  454   1HG2  VAL  56          3HG2      VAL  56   2.576   3.532  11.001
  455   2HG2  VAL  56          1HG2      VAL  56   3.851   4.353  10.070
  456   3HG2  VAL  56          2HG2      VAL  56   4.117   2.703  10.676
   
  No H/Q in entry =         456
  Start of MODEL          15
 Raw file had  466 H/Q atoms
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1   1.070  15.219  -3.404
    2   2H    MET   1          2H        MET   1   1.341  14.552  -4.887
    3   3H    MET   1          3H        MET   1   2.516  15.451  -4.159
    4    HA   MET   1           HA       MET   1   1.580  16.767  -5.833
    5   1HB   MET   1          1HB       MET   1  -0.817  17.248  -5.898
    6   2HB   MET   1          2HB       MET   1  -0.548  15.494  -6.003
    7   1HG   MET   1          1HG       MET   1  -0.986  15.307  -3.555
    8   2HG   MET   1          2HG       MET   1  -1.308  17.046  -3.492
    9   1HE   MET   1          3HE       MET   1  -3.567  16.580  -2.277
   10   2HE   MET   1          2HE       MET   1  -4.827  15.483  -2.889
   11   3HE   MET   1          1HE       MET   1  -3.262  14.827  -2.352
   12    H    ALA   2           H        ALA   2   0.879  19.051  -5.549
   13    HA   ALA   2           HA       ALA   2   1.035  21.047  -4.459
   14   1HB   ALA   2          2HB       ALA   2  -0.935  20.002  -3.228
   15   2HB   ALA   2          3HB       ALA   2   0.210  19.578  -1.933
   16   3HB   ALA   2          1HB       ALA   2  -0.066  21.283  -2.352
   17    H    THR   3           H        THR   3   1.931  21.991  -2.161
   18    HA   THR   3           HA       THR   3   3.613  22.204  -0.618
   19    HB   THR   3           HB       THR   3   5.055  19.745  -1.670
   20    HG1  THR   3           HG1      THR   3   3.051  18.940  -1.327
   21   1HG2  THR   3          1HG2      THR   3   5.013  21.410   0.816
   22   2HG2  THR   3          3HG2      THR   3   5.202  19.656   1.032
   23   3HG2  THR   3          2HG2      THR   3   6.363  20.556   0.034
   24    H    ILE   4           H        ILE   4   6.284  22.234  -0.806
   25    HA   ILE   4           HA       ILE   4   6.912  24.283  -2.561
   26    HB   ILE   4           HB       ILE   4   8.258  23.459  -0.597
   27   1HG1  ILE   4          2HG1      ILE   4   9.869  23.707  -3.173
   28   2HG1  ILE   4          1HG1      ILE   4   9.096  25.084  -2.354
   29   1HG2  ILE   4          2HG2      ILE   4   8.198  21.021  -1.388
   30   2HG2  ILE   4          3HG2      ILE   4   9.446  21.470  -2.572
   31   3HG2  ILE   4          1HG2      ILE   4   9.776  21.615  -0.831
   32   1HD1  ILE   4          3HD1      ILE   4  10.384  24.489  -0.270
   33   2HD1  ILE   4          1HD1      ILE   4  11.248  23.251  -1.212
   34   3HD1  ILE   4          2HD1      ILE   4  11.417  24.969  -1.636
   35    H    LYS   5           H        LYS   5   6.747  20.816  -3.174
   36    HA   LYS   5           HA       LYS   5   8.244  20.623  -5.542
   37   1HB   LYS   5          1HB       LYS   5   5.762  19.187  -4.527
   38   2HB   LYS   5          2HB       LYS   5   6.618  18.714  -6.006
   39   1HG   LYS   5          1HG       LYS   5   8.747  18.571  -4.599
   40   2HG   LYS   5          2HG       LYS   5   7.720  18.801  -3.164
   41   1HD   LYS   5          2HD       LYS   5   7.911  16.451  -3.333
   42   2HD   LYS   5          1HD       LYS   5   6.335  16.795  -4.087
   43   1HE   LYS   5          2HE       LYS   5   7.334  16.679  -6.322
   44   2HE   LYS   5          1HE       LYS   5   8.958  16.500  -5.625
   45   1HZ   LYS   5          2HZ       LYS   5   8.246  14.429  -4.671
   46   2HZ   LYS   5          1HZ       LYS   5   6.742  14.595  -5.327
   47   3HZ   LYS   5          3HZ       LYS   5   8.053  14.409  -6.309
   48    H    ASP   6           H        ASP   6   4.648  21.056  -5.220
   49    HA   ASP   6           HA       ASP   6   4.354  21.558  -8.051
   50   1HB   ASP   6          1HB       ASP   6   2.548  21.980  -5.650
   51   2HB   ASP   6          2HB       ASP   6   2.038  22.302  -7.317
   52    H    VAL   7           H        VAL   7   4.518  23.644  -5.134
   53    HA   VAL   7           HA       VAL   7   3.878  26.108  -6.323
   54    HB   VAL   7           HB       VAL   7   5.742  25.358  -4.039
   55   1HG1  VAL   7          2HG1      VAL   7   4.788  28.110  -4.939
   56   2HG1  VAL   7          1HG1      VAL   7   5.552  27.766  -3.372
   57   3HG1  VAL   7          3HG1      VAL   7   6.473  27.537  -4.873
   58   1HG2  VAL   7          2HG2      VAL   7   3.296  24.874  -3.797
   59   2HG2  VAL   7          3HG2      VAL   7   3.865  26.111  -2.653
   60   3HG2  VAL   7          1HG2      VAL   7   2.958  26.590  -4.105
   61    H    ALA   8           H        ALA   8   7.083  24.489  -6.010
   62    HA   ALA   8           HA       ALA   8   8.638  26.552  -7.137
   63   1HB   ALA   8          3HB       ALA   8   9.000  23.529  -7.138
   64   2HB   ALA   8          2HB       ALA   8  10.253  24.692  -7.624
   65   3HB   ALA   8          1HB       ALA   8   9.644  24.694  -5.954
   66    H    LYS   9           H        LYS   9   7.275  23.612  -8.762
   67    HA   LYS   9           HA       LYS   9   8.212  24.391 -11.351
   68   1HB   LYS   9          1HB       LYS   9   7.155  22.108 -10.237
   69   2HB   LYS   9          2HB       LYS   9   5.778  22.679 -11.210
   70   1HG   LYS   9          1HG       LYS   9   7.343  22.907 -13.175
   71   2HG   LYS   9          2HG       LYS   9   8.629  22.180 -12.176
   72   1HD   LYS   9          1HD       LYS   9   7.229  20.151 -11.863
   73   2HD   LYS   9          2HD       LYS   9   5.958  20.877 -12.879
   74   1HE   LYS   9          2HE       LYS   9   7.542  20.996 -14.780
   75   2HE   LYS   9          1HE       LYS   9   8.819  20.286 -13.766
   76   1HZ   LYS   9          3HZ       LYS   9   6.280  18.984 -14.473
   77   2HZ   LYS   9          1HZ       LYS   9   7.749  18.659 -15.151
   78   3HZ   LYS   9          2HZ       LYS   9   7.485  18.325 -13.557
   79    H    ARG  10           H        ARG  10   5.313  25.233  -9.493
   80    HA   ARG  10           HA       ARG  10   3.817  26.245 -11.755
   81   1HB   ARG  10          1HB       ARG  10   2.649  25.618  -9.727
   82   2HB   ARG  10          2HB       ARG  10   3.648  26.709  -8.744
   83   1HG   ARG  10          2HG       ARG  10   2.201  27.981 -11.031
   84   2HG   ARG  10          1HG       ARG  10   1.182  27.382  -9.703
   85   1HD   ARG  10          2HD       ARG  10   2.265  28.762  -8.091
   86   2HD   ARG  10          1HD       ARG  10   3.639  29.080  -9.157
   87    HE   ARG  10           HE       ARG  10   2.332  30.612 -10.423
   88   1HH1  ARG  10          2HH1      ARG  10   0.337  29.054  -7.945
   89   2HH1  ARG  10          1HH1      ARG  10  -0.722  30.437  -7.738
   90   1HH2  ARG  10          1HH2      ARG  10   0.876  32.398 -10.187
   91   2HH2  ARG  10          2HH2      ARG  10  -0.410  32.329  -8.995
   92    H    ALA  11           H        ALA  11   6.214  27.534  -9.455
   93    HA   ALA  11           HA       ALA  11   5.859  30.290 -10.306
   94   1HB   ALA  11          1HB       ALA  11   6.566  29.684  -8.021
   95   2HB   ALA  11          2HB       ALA  11   8.046  28.937  -8.671
   96   3HB   ALA  11          3HB       ALA  11   7.792  30.692  -8.827
   97    H    ASN  12           H        ASN  12   8.233  27.642 -11.001
   98    HA   ASN  12           HA       ASN  12   9.041  29.058 -13.426
   99   1HB   ASN  12          1HB       ASN  12  11.305  29.401 -12.833
  100   2HB   ASN  12          2HB       ASN  12  10.385  29.994 -11.441
  101   1HD2  ASN  12          1HD2      ASN  12  11.286  27.115  -9.351
  102   2HD2  ASN  12          2HD2      ASN  12   9.877  28.069  -9.776
  103    H    VAL  13           H        VAL  13  11.590  27.487 -13.379
  104    HA   VAL  13           HA       VAL  13  10.590  25.145 -14.705
  105    HB   VAL  13           HB       VAL  13  13.419  25.922 -13.851
  106   1HG1  VAL  13          2HG1      VAL  13  12.359  23.879 -15.860
  107   2HG1  VAL  13          3HG1      VAL  13  14.065  24.364 -15.714
  108   3HG1  VAL  13          1HG1      VAL  13  13.263  23.531 -14.366
  109   1HG2  VAL  13          1HG2      VAL  13  11.859  26.360 -16.440
  110   2HG2  VAL  13          2HG2      VAL  13  12.428  27.620 -15.318
  111   3HG2  VAL  13          3HG2      VAL  13  13.601  26.658 -16.245
  112    H    SER  14           H        SER  14  12.550  25.621 -11.663
  113    HA   SER  14           HA       SER  14  11.233  23.266 -10.491
  114   1HB   SER  14          2HB       SER  14  14.234  23.279 -11.058
  115   2HB   SER  14          1HB       SER  14  13.356  22.045 -10.126
  116    HG   SER  14           HG       SER  14  12.015  22.132 -12.279
  117    H    THR  15           H        THR  15  12.556  22.750  -8.317
  118    HA   THR  15           HA       THR  15  12.264  25.068  -6.668
  119    HB   THR  15           HB       THR  15  13.784  22.572  -5.869
  120    HG1  THR  15           HG1      THR  15  11.746  21.586  -5.611
  121   1HG2  THR  15          2HG2      THR  15  11.760  24.416  -4.521
  122   2HG2  THR  15          3HG2      THR  15  12.400  22.927  -3.787
  123   3HG2  THR  15          1HG2      THR  15  13.494  24.279  -4.150
  124    H    THR  16           H        THR  16  14.765  24.329  -8.808
  125    HA   THR  16           HA       THR  16  17.109  24.874  -7.343
  126    HB   THR  16           HB       THR  16  17.930  25.696  -9.636
  127    HG1  THR  16           HG1      THR  16  16.465  25.312 -11.327
  128   1HG2  THR  16          3HG2      THR  16  18.152  23.349  -8.857
  129   2HG2  THR  16          1HG2      THR  16  16.521  22.993  -9.471
  130   3HG2  THR  16          2HG2      THR  16  17.824  23.420 -10.604
  131    H    THR  17           H        THR  17  15.058  27.145  -9.283
  132    HA   THR  17           HA       THR  17  16.481  29.474  -8.524
  133    HB   THR  17           HB       THR  17  14.505  28.904 -10.319
  134    HG1  THR  17           HG1      THR  17  14.529  31.164 -10.656
  135   1HG2  THR  17          2HG2      THR  17  12.748  28.936  -8.533
  136   2HG2  THR  17          3HG2      THR  17  13.189  30.620  -8.160
  137   3HG2  THR  17          1HG2      THR  17  12.510  30.212  -9.748
  138    H    VAL  18           H        VAL  18  13.841  27.691  -6.910
  139    HA   VAL  18           HA       VAL  18  13.185  29.722  -5.009
  140    HB   VAL  18           HB       VAL  18  12.975  26.685  -4.791
  141   1HG1  VAL  18          3HG1      VAL  18  11.651  28.954  -3.247
  142   2HG1  VAL  18          2HG1      VAL  18  11.164  27.245  -3.146
  143   3HG1  VAL  18          1HG1      VAL  18  12.780  27.742  -2.599
  144   1HG2  VAL  18          1HG2      VAL  18  11.025  28.816  -5.770
  145   2HG2  VAL  18          2HG2      VAL  18  11.762  27.525  -6.747
  146   3HG2  VAL  18          3HG2      VAL  18  10.597  27.116  -5.468
  147    H    SER  19           H        SER  19  15.472  26.940  -4.942
  148    HA   SER  19           HA       SER  19  16.460  27.367  -2.317
  149   1HB   SER  19          2HB       SER  19  17.938  26.255  -4.739
  150   2HB   SER  19          1HB       SER  19  18.335  25.976  -3.029
  151    HG   SER  19           HG       SER  19  15.968  25.193  -4.399
  152    H    HIS  20           H        HIS  20  17.483  28.648  -5.514
  153    HA   HIS  20           HA       HIS  20  19.780  30.049  -4.654
  154   1HB   HIS  20          2HB       HIS  20  17.804  30.765  -6.848
  155   2HB   HIS  20          1HB       HIS  20  19.442  31.413  -6.681
  156    HD1  HIS  20           HD1      HIS  20  19.008  30.108  -9.305
  157    HD2  HIS  20           HD2      HIS  20  20.057  27.864  -5.931
  158    HE1  HIS  20           HE1      HIS  20  20.030  27.925 -10.116
  159    H    VAL  21           H        VAL  21  16.334  31.017  -4.762
  160    HA   VAL  21           HA       VAL  21  16.803  33.722  -3.922
  161    HB   VAL  21           HB       VAL  21  14.410  31.878  -4.117
  162   1HG1  VAL  21          1HG1      VAL  21  14.526  34.619  -2.803
  163   2HG1  VAL  21          3HG1      VAL  21  13.029  33.942  -3.483
  164   3HG1  VAL  21          2HG1      VAL  21  13.848  33.112  -2.141
  165   1HG2  VAL  21          3HG2      VAL  21  15.345  32.992  -6.139
  166   2HG2  VAL  21          1HG2      VAL  21  13.706  33.568  -5.763
  167   3HG2  VAL  21          2HG2      VAL  21  15.116  34.571  -5.356
  168    H    ILE  22           H        ILE  22  16.093  30.678  -2.135
  169    HA   ILE  22           HA       ILE  22  15.467  31.887   0.343
  170    HB   ILE  22           HB       ILE  22  16.518  29.156  -0.444
  171   1HG1  ILE  22          2HG1      ILE  22  13.901  29.942   0.893
  172   2HG1  ILE  22          1HG1      ILE  22  14.106  30.056  -0.868
  173   1HG2  ILE  22          1HG2      ILE  22  15.907  30.248   2.340
  174   2HG2  ILE  22          2HG2      ILE  22  15.955  28.513   1.963
  175   3HG2  ILE  22          3HG2      ILE  22  17.421  29.495   1.784
  176   1HD1  ILE  22          1HD1      ILE  22  14.720  27.649  -0.946
  177   2HD1  ILE  22          3HD1      ILE  22  14.476  27.535   0.809
  178   3HD1  ILE  22          2HD1      ILE  22  13.101  27.892  -0.256
  179    H    ASN  23           H        ASN  23  18.683  30.438  -0.639
  180    HA   ASN  23           HA       ASN  23  19.864  32.081   1.574
  181   1HB   ASN  23          1HB       ASN  23  21.558  30.349   1.789
  182   2HB   ASN  23          2HB       ASN  23  19.938  29.636   1.926
  183   1HD2  ASN  23          1HD2      ASN  23  22.380  28.747  -1.295
  184   2HD2  ASN  23          2HD2      ASN  23  22.767  30.058  -0.196
  185    H    LYS  24           H        LYS  24  19.430  32.759  -1.419
  186    HA   LYS  24           HA       LYS  24  20.590  33.869  -3.056
  187   1HB   LYS  24          2HB       LYS  24  21.134  35.160  -0.860
  188   2HB   LYS  24          1HB       LYS  24  22.748  34.434  -1.013
  189   1HG   LYS  24          1HG       LYS  24  22.853  35.359  -3.376
  190   2HG   LYS  24          2HG       LYS  24  21.311  36.188  -3.058
  191   1HD   LYS  24          1HD       LYS  24  22.962  37.826  -2.594
  192   2HD   LYS  24          2HD       LYS  24  22.494  37.213  -0.991
  193   1HE   LYS  24          1HE       LYS  24  24.458  35.737  -0.946
  194   2HE   LYS  24          2HE       LYS  24  24.891  36.218  -2.600
  195   1HZ   LYS  24          3HZ       LYS  24  24.797  38.003  -0.268
  196   2HZ   LYS  24          2HZ       LYS  24  26.163  37.396  -0.964
  197   3HZ   LYS  24          1HZ       LYS  24  25.206  38.445  -1.804
  198    H    THR  25           H        THR  25  20.993  31.099  -3.170
  199    HA   THR  25           HA       THR  25  23.773  30.373  -3.236
  200    HB   THR  25           HB       THR  25  21.763  29.046  -5.039
  201    HG1  THR  25           HG1      THR  25  20.879  28.020  -3.211
  202   1HG2  THR  25          1HG2      THR  25  24.076  28.178  -4.779
  203   2HG2  THR  25          3HG2      THR  25  23.812  28.022  -3.025
  204   3HG2  THR  25          2HG2      THR  25  22.870  27.026  -4.159
  205    H    ARG  26           H        ARG  26  21.504  31.795  -5.580
  206    HA   ARG  26           HA       ARG  26  23.792  32.429  -7.347
  207   1HB   ARG  26          1HB       ARG  26  22.357  30.261  -7.989
  208   2HB   ARG  26          2HB       ARG  26  21.213  31.484  -8.589
  209   1HG   ARG  26          2HG       ARG  26  22.570  31.063 -10.468
  210   2HG   ARG  26          1HG       ARG  26  23.309  32.523  -9.773
  211   1HD   ARG  26          1HD       ARG  26  24.982  31.116  -8.599
  212   2HD   ARG  26          2HD       ARG  26  24.226  29.654  -9.273
  213    HE   ARG  26           HE       ARG  26  24.886  31.387 -11.423
  214   1HH1  ARG  26          2HH2      ARG  26  26.462  29.442  -8.917
  215   2HH1  ARG  26          1HH2      ARG  26  27.890  29.120  -9.871
  216   1HH2  ARG  26          2HH1      ARG  26  26.781  30.972 -12.676
  217   2HH2  ARG  26          1HH1      ARG  26  28.078  30.002 -12.011
  218    H    PHE  27           H        PHE  27  23.547  34.404  -8.413
  219    HA   PHE  27           HA       PHE  27  21.703  36.257  -7.232
  220   1HB   PHE  27          1HB       PHE  27  23.845  37.027  -8.016
  221   2HB   PHE  27          2HB       PHE  27  23.545  36.393  -9.644
  222    HD1  PHE  27           HD1      PHE  27  22.130  38.838  -7.153
  223    HD2  PHE  27           HD2      PHE  27  22.696  37.823 -11.300
  224    HE1  PHE  27           HE1      PHE  27  21.134  41.013  -7.821
  225    HE2  PHE  27           HE2      PHE  27  21.701  40.001 -11.966
  226    HZ   PHE  27           HZ       PHE  27  20.919  41.594 -10.227
  227    H    VAL  28           H        VAL  28  19.765  37.018  -7.920
  228    HA   VAL  28           HA       VAL  28  18.777  36.280 -10.612
  229    HB   VAL  28           HB       VAL  28  16.545  35.702  -9.525
  230   1HG1  VAL  28          3HG1      VAL  28  18.132  34.005 -10.470
  231   2HG1  VAL  28          1HG1      VAL  28  18.875  33.846  -8.861
  232   3HG1  VAL  28          2HG1      VAL  28  17.178  33.376  -9.106
  233   1HG2  VAL  28          3HG2      VAL  28  17.080  36.661  -7.277
  234   2HG2  VAL  28          2HG2      VAL  28  16.572  34.960  -7.187
  235   3HG2  VAL  28          1HG2      VAL  28  18.293  35.380  -7.040
  236    H    ALA  29           H        ALA  29  17.058  37.662 -11.334
  237    HA   ALA  29           HA       ALA  29  17.346  40.375 -10.475
  238   1HB   ALA  29          2HB       ALA  29  16.731  39.709 -12.779
  239   2HB   ALA  29          3HB       ALA  29  15.190  39.046 -12.177
  240   3HB   ALA  29          1HB       ALA  29  15.509  40.795 -12.074
  241    H    GLU  30           H        GLU  30  15.604  41.757  -9.646
  242    HA   GLU  30           HA       GLU  30  14.548  40.915  -7.198
  243   1HB   GLU  30          1HB       GLU  30  13.293  43.030  -9.004
  244   2HB   GLU  30          2HB       GLU  30  13.264  42.960  -7.228
  245   1HG   GLU  30          2HG       GLU  30  15.680  43.494  -9.015
  246   2HG   GLU  30          1HG       GLU  30  14.902  44.619  -7.890
  247    H    GLU  31           H        GLU  31  13.077  40.915 -10.453
  248    HA   GLU  31           HA       GLU  31  10.441  40.269  -9.835
  249   1HB   GLU  31          2HB       GLU  31  12.190  39.387 -12.170
  250   2HB   GLU  31          1HB       GLU  31  10.418  39.229 -12.121
  251   1HG   GLU  31          1HG       GLU  31  10.203  41.678 -11.820
  252   2HG   GLU  31          2HG       GLU  31  11.972  41.843 -11.866
  253    H    THR  32           H        THR  32  13.230  37.989 -10.310
  254    HA   THR  32           HA       THR  32  11.703  35.615 -10.038
  255    HB   THR  32           HB       THR  32  14.442  35.492  -8.950
  256    HG1  THR  32           HG1      THR  32  14.876  37.218 -10.236
  257   1HG2  THR  32          2HG2      THR  32  13.156  33.567  -9.852
  258   2HG2  THR  32          1HG2      THR  32  13.128  34.347 -11.452
  259   3HG2  THR  32          3HG2      THR  32  14.675  33.823 -10.744
  260    H    ARG  33           H        ARG  33  13.510  37.577  -7.633
  261    HA   ARG  33           HA       ARG  33  13.100  35.905  -5.400
  262   1HB   ARG  33          1HB       ARG  33  14.565  38.064  -5.822
  263   2HB   ARG  33          2HB       ARG  33  13.151  38.914  -5.157
  264   1HG   ARG  33          1HG       ARG  33  13.244  37.466  -3.139
  265   2HG   ARG  33          2HG       ARG  33  14.668  36.635  -3.806
  266   1HD   ARG  33          1HD       ARG  33  14.449  39.580  -3.075
  267   2HD   ARG  33          2HD       ARG  33  15.404  38.347  -2.226
  268    HE   ARG  33           HE       ARG  33  16.805  38.150  -4.269
  269   1HH1  ARG  33          1HH1      ARG  33  15.378  41.214  -3.326
  270   2HH1  ARG  33          2HH1      ARG  33  15.973  42.104  -4.713
  271   1HH2  ARG  33          2HH2      ARG  33  17.575  39.308  -6.169
  272   2HH2  ARG  33          1HH2      ARG  33  17.322  41.041  -6.270
  273    H    ASN  34           H        ASN  34  11.211  38.796  -6.468
  274    HA   ASN  34           HA       ASN  34   9.241  38.626  -4.432
  275   1HB   ASN  34          1HB       ASN  34   9.211  39.794  -7.241
  276   2HB   ASN  34          2HB       ASN  34   7.869  39.987  -6.092
  277   1HD2  ASN  34          1HD2      ASN  34   9.799  42.059  -3.793
  278   2HD2  ASN  34          2HD2      ASN  34   8.643  40.746  -3.797
  279    H    ALA  35           H        ALA  35   9.310  37.276  -7.774
  280    HA   ALA  35           HA       ALA  35   6.691  36.249  -7.828
  281   1HB   ALA  35          1HB       ALA  35   9.235  35.180  -9.119
  282   2HB   ALA  35          2HB       ALA  35   7.578  34.720  -9.576
  283   3HB   ALA  35          3HB       ALA  35   8.130  36.396  -9.805
  284    H    VAL  36           H        VAL  36   9.745  34.659  -6.724
  285    HA   VAL  36           HA       VAL  36   8.598  32.136  -6.145
  286    HB   VAL  36           HB       VAL  36  11.022  33.643  -5.113
  287   1HG1  VAL  36          3HG1      VAL  36  10.012  30.883  -4.309
  288   2HG1  VAL  36          1HG1      VAL  36  11.703  31.398  -4.115
  289   3HG1  VAL  36          2HG1      VAL  36  10.411  32.247  -3.240
  290   1HG2  VAL  36          1HG2      VAL  36  10.999  32.745  -7.447
  291   2HG2  VAL  36          2HG2      VAL  36  12.208  31.932  -6.426
  292   3HG2  VAL  36          3HG2      VAL  36  10.668  31.123  -6.798
  293    H    TRP  37           H        TRP  37   9.288  34.882  -3.866
  294    HA   TRP  37           HA       TRP  37   8.081  33.645  -1.622
  295   1HB   TRP  37          2HB       TRP  37   8.442  36.576  -2.312
  296   2HB   TRP  37          1HB       TRP  37   7.977  35.967  -0.717
  297    HD1  TRP  37           HD1      TRP  37  10.817  37.359  -2.145
  298    HE1  TRP  37           HE1      TRP  37  13.057  36.513  -1.199
  299    HE3  TRP  37           HE3      TRP  37   9.179  33.063   0.130
  300    HZ2  TRP  37           HZ2      TRP  37  14.003  34.289   0.312
  301    HZ3  TRP  37           HZ3      TRP  37  10.797  31.605   1.311
  302    HH2  TRP  37           HH2      TRP  37  13.203  32.208   1.401
  303    H    ALA  38           H        ALA  38   6.674  35.634  -4.239
  304    HA   ALA  38           HA       ALA  38   4.133  36.032  -2.984
  305   1HB   ALA  38          3HB       ALA  38   4.922  35.945  -5.926
  306   2HB   ALA  38          1HB       ALA  38   3.381  36.567  -5.290
  307   3HB   ALA  38          2HB       ALA  38   4.906  37.385  -4.881
  308    H    ALA  39           H        ALA  39   5.269  33.618  -5.420
  309    HA   ALA  39           HA       ALA  39   2.844  32.207  -5.680
  310   1HB   ALA  39          2HB       ALA  39   4.773  31.958  -7.192
  311   2HB   ALA  39          1HB       ALA  39   5.712  31.197  -5.886
  312   3HB   ALA  39          3HB       ALA  39   4.272  30.379  -6.540
  313    H    ILE  40           H        ILE  40   5.563  31.756  -3.363
  314    HA   ILE  40           HA       ILE  40   4.670  29.358  -2.174
  315    HB   ILE  40           HB       ILE  40   6.316  31.706  -1.187
  316   1HG1  ILE  40          2HG1      ILE  40   7.133  28.803  -1.559
  317   2HG1  ILE  40          1HG1      ILE  40   7.061  29.912  -2.946
  318   1HG2  ILE  40          2HG2      ILE  40   5.511  29.175   0.311
  319   2HG2  ILE  40          3HG2      ILE  40   6.915  30.165   0.762
  320   3HG2  ILE  40          1HG2      ILE  40   5.284  30.861   0.832
  321   1HD1  ILE  40          1HD1      ILE  40   8.675  30.403  -0.405
  322   2HD1  ILE  40          2HD1      ILE  40   9.340  29.817  -1.945
  323   3HD1  ILE  40          3HD1      ILE  40   8.632  31.445  -1.841
  324    H    LYS  41           H        LYS  41   3.798  32.766  -1.426
  325    HA   LYS  41           HA       LYS  41   2.136  31.997   0.829
  326   1HB   LYS  41          1HB       LYS  41   2.514  34.565  -0.755
  327   2HB   LYS  41          2HB       LYS  41   1.403  34.426   0.628
  328   1HG   LYS  41          2HG       LYS  41   3.390  33.545   1.976
  329   2HG   LYS  41          1HG       LYS  41   4.427  34.053   0.628
  330   1HD   LYS  41          1HD       LYS  41   2.485  35.885   2.108
  331   2HD   LYS  41          2HD       LYS  41   4.221  35.774   2.469
  332   1HE   LYS  41          2HE       LYS  41   3.009  36.597  -0.211
  333   2HE   LYS  41          1HE       LYS  41   3.716  37.698   0.988
  334   1HZ   LYS  41          1HZ       LYS  41   5.795  36.504   0.717
  335   2HZ   LYS  41          2HZ       LYS  41   5.126  35.576  -0.476
  336   3HZ   LYS  41          3HZ       LYS  41   5.290  37.206  -0.688
  337    H    GLU  42           H        GLU  42   1.688  32.723  -2.620
  338    HA   GLU  42           HA       GLU  42  -1.115  33.007  -2.609
  339   1HB   GLU  42          2HB       GLU  42   0.458  33.617  -4.471
  340   2HB   GLU  42          1HB       GLU  42   0.635  31.885  -4.833
  341   1HG   GLU  42          2HG       GLU  42  -1.896  31.783  -5.085
  342   2HG   GLU  42          1HG       GLU  42  -1.909  33.555  -4.962
  343    H    LEU  43           H        LEU  43   0.814  30.094  -3.579
  344    HA   LEU  43           HA       LEU  43  -1.601  28.448  -3.545
  345   1HB   LEU  43          2HB       LEU  43   1.045  28.338  -4.682
  346   2HB   LEU  43          1HB       LEU  43   0.791  26.869  -3.716
  347    HG   LEU  43           HG       LEU  43  -1.225  27.898  -5.759
  348   1HD1  LEU  43          3HD1      LEU  43   0.936  27.329  -6.849
  349   2HD1  LEU  43          2HD1      LEU  43   0.906  25.735  -6.061
  350   3HD1  LEU  43          1HD1      LEU  43  -0.336  26.155  -7.265
  351   1HD2  LEU  43          1HD2      LEU  43  -0.849  25.231  -4.315
  352   2HD2  LEU  43          2HD2      LEU  43  -2.167  26.396  -4.050
  353   3HD2  LEU  43          3HD2      LEU  43  -2.045  25.531  -5.598
  354    H    HIS  44           H        HIS  44   0.846  29.356  -1.255
  355    HA   HIS  44           HA       HIS  44   1.075  28.846   0.967
  356   1HB   HIS  44          2HB       HIS  44  -0.974  26.632   0.795
  357   2HB   HIS  44          1HB       HIS  44  -0.509  27.616   2.186
  358    HD1  HIS  44           HD1      HIS  44  -0.851  30.470   0.805
  359    HD2  HIS  44           HD2      HIS  44  -3.652  27.360   0.708
  360    HE1  HIS  44           HE1      HIS  44  -3.136  31.501   0.379
  361    H    TYR  45           H        TYR  45   2.780  27.741   1.743
  362    HA   TYR  45           HA       TYR  45   3.751  25.395   0.284
  363   1HB   TYR  45          2HB       TYR  45   5.385  27.006   0.942
  364   2HB   TYR  45          1HB       TYR  45   4.764  27.077   2.596
  365    HD1  TYR  45           HD2      TYR  45   5.587  24.042   0.513
  366    HD2  TYR  45           HD1      TYR  45   6.593  26.471   3.927
  367    HE1  TYR  45           HE2      TYR  45   7.255  22.349   1.237
  368    HE2  TYR  45           HE1      TYR  45   8.256  24.776   4.643
  369    HH   TYR  45           HH       TYR  45   9.248  22.768   4.176
  370    H    SER  46           H        SER  46   1.758  24.184   0.791
  371    HA   SER  46           HA       SER  46   0.293  23.190   2.434
  372   1HB   SER  46          1HB       SER  46   2.588  21.533   1.433
  373   2HB   SER  46          2HB       SER  46   1.340  20.799   2.468
  374    HG   SER  46           HG       SER  46  -0.211  21.576   0.983
  375    HA   PRO  47           HA       PRO  47   2.455  21.638   6.373
  376   1HB   PRO  47          1HB       PRO  47   5.281  22.017   6.478
  377   2HB   PRO  47          2HB       PRO  47   4.401  20.470   6.329
  378   1HG   PRO  47          2HG       PRO  47   5.839  22.020   4.254
  379   2HG   PRO  47          1HG       PRO  47   5.367  20.298   4.256
  380   1HD   PRO  47          2HD       PRO  47   4.134  22.321   2.757
  381   2HD   PRO  47          1HD       PRO  47   3.421  20.728   3.150
  382    H    SER  48           H        SER  48   4.809  24.107   5.149
  383    HA   SER  48           HA       SER  48   5.282  26.238   5.814
  384   1HB   SER  48          1HB       SER  48   2.459  26.200   6.971
  385   2HB   SER  48          2HB       SER  48   3.457  27.643   6.700
  386    HG   SER  48           HG       SER  48   2.790  25.801   4.652
  387    H    ALA  49           H        ALA  49   5.318  27.741   7.888
  388    HA   ALA  49           HA       ALA  49   6.698  26.280   9.934
  389   1HB   ALA  49          2HB       ALA  49   7.188  28.635   9.373
  390   2HB   ALA  49          3HB       ALA  49   5.562  29.111   9.917
  391   3HB   ALA  49          1HB       ALA  49   6.743  28.472  11.087
  392    H    VAL  50           H        VAL  50   3.394  27.543   9.545
  393    HA   VAL  50           HA       VAL  50   2.439  25.753  11.644
  394    HB   VAL  50           HB       VAL  50   3.130  27.797  12.905
  395   1HG1  VAL  50          2HG1      VAL  50   2.784  29.421  11.023
  396   2HG1  VAL  50          3HG1      VAL  50   1.026  29.218  11.208
  397   3HG1  VAL  50          1HG1      VAL  50   1.983  29.925  12.529
  398   1HG2  VAL  50          2HG2      VAL  50   1.136  26.398  13.569
  399   2HG2  VAL  50          1HG2      VAL  50   1.048  28.091  14.110
  400   3HG2  VAL  50          3HG2      VAL  50   0.098  27.556  12.705
  401    H    ALA  51           H        ALA  51   0.164  25.383  11.452
  402    HA   ALA  51           HA       ALA  51  -1.291  26.809   9.329
  403   1HB   ALA  51          2HB       ALA  51  -0.014  24.942   8.212
  404   2HB   ALA  51          3HB       ALA  51  -0.891  23.786   9.246
  405   3HB   ALA  51          1HB       ALA  51  -1.780  24.787   8.072
  406    H    ARG  52           H        ARG  52  -3.148  24.342   9.373
  407    HA   ARG  52           HA       ARG  52  -4.085  24.107  12.088
  408   1HB   ARG  52          1HB       ARG  52  -6.255  25.291  11.748
  409   2HB   ARG  52          2HB       ARG  52  -4.864  26.393  11.717
  410   1HG   ARG  52          2HG       ARG  52  -4.916  26.134   9.145
  411   2HG   ARG  52          1HG       ARG  52  -6.513  25.386   9.369
  412   1HD   ARG  52          1HD       ARG  52  -7.269  27.410  10.602
  413   2HD   ARG  52          2HD       ARG  52  -5.691  28.169  10.304
  414    HE   ARG  52           HE       ARG  52  -7.904  27.894   8.434
  415   1HH1  ARG  52          2HH2      ARG  52  -4.384  28.207   8.736
  416   2HH1  ARG  52          1HH2      ARG  52  -4.167  28.847   7.124
  417   1HH2  ARG  52          2HH1      ARG  52  -7.606  28.742   6.308
  418   2HH2  ARG  52          1HH1      ARG  52  -6.005  29.152   5.741
  419    H    SER  53           H        SER  53  -4.991  23.998   8.603
  420    HA   SER  53           HA       SER  53  -5.435  21.181   8.621
  421   1HB   SER  53          1HB       SER  53  -7.956  21.336   8.184
  422   2HB   SER  53          2HB       SER  53  -7.449  21.563   9.873
  423    HG   SER  53           HG       SER  53  -8.925  23.171   9.215
  424    H    LEU  54           H        LEU  54  -7.165  23.966   7.126
  425    HA   LEU  54           HA       LEU  54  -7.290  24.707   4.972
  426   1HB   LEU  54          2HB       LEU  54  -4.520  23.955   5.347
  427   2HB   LEU  54          1HB       LEU  54  -5.002  23.548   3.688
  428    HG   LEU  54           HG       LEU  54  -5.591  26.251   4.974
  429   1HD1  LEU  54          1HD1      LEU  54  -3.243  25.427   3.205
  430   2HD1  LEU  54          2HD1      LEU  54  -3.622  27.090   3.717
  431   3HD1  LEU  54          3HD1      LEU  54  -3.148  25.873   4.926
  432   1HD2  LEU  54          2HD2      LEU  54  -5.523  25.252   2.087
  433   2HD2  LEU  54          3HD2      LEU  54  -6.975  25.701   3.014
  434   3HD2  LEU  54          1HD2      LEU  54  -5.782  26.943   2.572
  435    H    LYS  55           H        LYS  55  -6.957  23.712   2.499
  436    HA   LYS  55           HA       LYS  55  -7.591  20.892   2.307
  437   1HB   LYS  55          2HB       LYS  55  -9.886  21.184   1.440
  438   2HB   LYS  55          1HB       LYS  55  -9.768  21.735   3.118
  439   1HG   LYS  55          1HG       LYS  55 -10.846  23.590   2.306
  440   2HG   LYS  55          2HG       LYS  55  -9.207  24.077   1.830
  441   1HD   LYS  55          1HD       LYS  55 -10.638  24.375  -0.092
  442   2HD   LYS  55          2HD       LYS  55  -9.618  22.965  -0.419
  443   1HE   LYS  55          2HE       LYS  55 -12.121  22.252   0.968
  444   2HE   LYS  55          1HE       LYS  55 -12.406  23.065  -0.585
  445   1HZ   LYS  55          1HZ       LYS  55 -10.820  21.446  -1.548
  446   2HZ   LYS  55          2HZ       LYS  55 -10.855  20.622  -0.118
  447   3HZ   LYS  55          3HZ       LYS  55 -12.235  20.791  -1.000
  448    H    VAL  56           H        VAL  56  -7.990  20.269   0.019
  449    HA   VAL  56           HA       VAL  56  -6.470  22.056  -1.798
  450    HB   VAL  56           HB       VAL  56  -7.314  19.131  -2.053
  451   1HG1  VAL  56          1HG1      VAL  56  -5.488  20.899  -3.748
  452   2HG1  VAL  56          3HG1      VAL  56  -5.655  19.136  -3.933
  453   3HG1  VAL  56          2HG1      VAL  56  -7.045  20.199  -4.250
  454   1HG2  VAL  56          1HG2      VAL  56  -4.652  20.446  -1.345
  455   2HG2  VAL  56          3HG2      VAL  56  -5.656  19.445  -0.271
  456   3HG2  VAL  56          2HG2      VAL  56  -4.869  18.715  -1.688
   
  No H/Q in entry =         456
  Start of MODEL          16
 Raw file had  466 H/Q atoms
  Start of MODEL   16
    1   1H    MET   1          3H        MET   1  -2.953  17.852  -2.892
    2   2H    MET   1          2H        MET   1  -4.353  18.503  -2.307
    3   3H    MET   1          1H        MET   1  -3.503  19.290  -3.482
    4    HA   MET   1           HA       MET   1  -3.148  20.381  -1.426
    5   1HB   MET   1          1HB       MET   1  -3.646  18.311  -0.065
    6   2HB   MET   1          2HB       MET   1  -2.020  17.715  -0.477
    7   1HG   MET   1          2HG       MET   1  -0.978  19.600   0.623
    8   2HG   MET   1          1HG       MET   1  -2.536  20.414   0.827
    9   1HE   MET   1          1HE       MET   1  -0.165  17.560   1.921
   10   2HE   MET   1          2HE       MET   1  -1.089  16.695   3.171
   11   3HE   MET   1          3HE       MET   1  -1.586  16.589   1.467
   12    H    ALA   2           H        ALA   2  -1.121  21.406  -1.036
   13    HA   ALA   2           HA       ALA   2   0.782  21.090  -3.177
   14   1HB   ALA   2          3HB       ALA   2   0.200  23.250  -2.037
   15   2HB   ALA   2          1HB       ALA   2   1.033  22.660  -0.579
   16   3HB   ALA   2          2HB       ALA   2   1.947  22.920  -2.085
   17    H    THR   3           H        THR   3   3.256  21.111  -2.450
   18    HA   THR   3           HA       THR   3   3.883  19.267  -0.263
   19    HB   THR   3           HB       THR   3   4.756  18.360  -2.997
   20    HG1  THR   3           HG1      THR   3   2.241  17.877  -1.769
   21   1HG2  THR   3          3HG2      THR   3   5.741  17.383  -0.940
   22   2HG2  THR   3          2HG2      THR   3   4.117  16.911  -0.388
   23   3HG2  THR   3          1HG2      THR   3   4.810  16.171  -1.850
   24    H    ILE   4           H        ILE   4   4.945  20.741  -3.335
   25    HA   ILE   4           HA       ILE   4   6.808  22.541  -2.599
   26    HB   ILE   4           HB       ILE   4   8.120  20.925  -1.286
   27   1HG1  ILE   4          1HG1      ILE   4   9.626  21.349  -3.883
   28   2HG1  ILE   4          2HG1      ILE   4   9.218  22.699  -2.800
   29   1HG2  ILE   4          1HG2      ILE   4   7.313  18.888  -2.630
   30   2HG2  ILE   4          2HG2      ILE   4   8.529  19.333  -3.849
   31   3HG2  ILE   4          3HG2      ILE   4   9.037  18.899  -2.202
   32   1HD1  ILE   4          3HD1      ILE   4  10.341  21.444  -0.919
   33   2HD1  ILE   4          1HD1      ILE   4  10.877  20.236  -2.110
   34   3HD1  ILE   4          2HD1      ILE   4  11.445  21.916  -2.231
   35    H    LYS   5           H        LYS   5   6.220  19.715  -4.600
   36    HA   LYS   5           HA       LYS   5   7.690  20.437  -6.897
   37   1HB   LYS   5          1HB       LYS   5   5.115  18.833  -6.572
   38   2HB   LYS   5          2HB       LYS   5   6.172  18.810  -7.999
   39   1HG   LYS   5          2HG       LYS   5   8.069  18.079  -6.488
   40   2HG   LYS   5          1HG       LYS   5   6.895  17.963  -5.152
   41   1HD   LYS   5          1HD       LYS   5   5.549  16.353  -6.543
   42   2HD   LYS   5          2HD       LYS   5   6.828  16.397  -7.778
   43   1HE   LYS   5          2HE       LYS   5   7.252  15.583  -4.865
   44   2HE   LYS   5          1HE       LYS   5   7.012  14.442  -6.205
   45   1HZ   LYS   5          3HZ       LYS   5   8.975  15.361  -7.237
   46   2HZ   LYS   5          1HZ       LYS   5   9.210  16.375  -5.959
   47   3HZ   LYS   5          2HZ       LYS   5   9.316  14.744  -5.746
   48    H    ASP   6           H        ASP   6   4.138  20.664  -6.390
   49    HA   ASP   6           HA       ASP   6   3.500  22.104  -8.694
   50   1HB   ASP   6          1HB       ASP   6   2.174  22.502  -5.985
   51   2HB   ASP   6          2HB       ASP   6   1.430  22.626  -7.593
   52    H    VAL   7           H        VAL   7   4.360  23.367  -5.443
   53    HA   VAL   7           HA       VAL   7   4.023  26.111  -6.120
   54    HB   VAL   7           HB       VAL   7   5.861  24.965  -3.979
   55   1HG1  VAL   7          1HG1      VAL   7   4.292  27.557  -4.331
   56   2HG1  VAL   7          3HG1      VAL   7   5.053  27.067  -2.802
   57   3HG1  VAL   7          2HG1      VAL   7   6.058  27.368  -4.237
   58   1HG2  VAL   7          2HG2      VAL   7   2.841  25.171  -4.146
   59   2HG2  VAL   7          1HG2      VAL   7   3.836  23.815  -3.571
   60   3HG2  VAL   7          3HG2      VAL   7   3.668  25.278  -2.578
   61    H    ALA   8           H        ALA   8   6.858  23.906  -6.286
   62    HA   ALA   8           HA       ALA   8   8.801  25.916  -6.800
   63   1HB   ALA   8          3HB       ALA   8   8.676  22.990  -7.621
   64   2HB   ALA   8          1HB       ALA   8  10.115  24.021  -7.770
   65   3HB   ALA   8          2HB       ALA   8   9.443  23.662  -6.163
   66    H    LYS   9           H        LYS   9   6.582  24.108  -8.963
   67    HA   LYS   9           HA       LYS   9   7.763  25.169 -11.392
   68   1HB   LYS   9          1HB       LYS   9   5.094  23.816 -10.780
   69   2HB   LYS   9          2HB       LYS   9   5.640  24.236 -12.420
   70   1HG   LYS   9          1HG       LYS   9   7.374  22.563 -10.567
   71   2HG   LYS   9          2HG       LYS   9   6.097  21.821 -11.559
   72   1HD   LYS   9          1HD       LYS   9   7.109  22.673 -13.608
   73   2HD   LYS   9          2HD       LYS   9   8.315  23.590 -12.676
   74   1HE   LYS   9          2HE       LYS   9   9.098  21.389 -11.688
   75   2HE   LYS   9          1HE       LYS   9   8.028  20.563 -12.842
   76   1HZ   LYS   9          2HZ       LYS   9   9.234  21.629 -14.612
   77   2HZ   LYS   9          1HZ       LYS   9  10.228  22.390 -13.532
   78   3HZ   LYS   9          3HZ       LYS   9  10.256  20.741 -13.668
   79    H    ARG  10           H        ARG  10   5.083  26.121  -9.217
   80    HA   ARG  10           HA       ARG  10   4.044  28.176 -10.951
   81   1HB   ARG  10          1HB       ARG  10   3.061  26.985  -8.789
   82   2HB   ARG  10          2HB       ARG  10   3.885  28.303  -7.932
   83   1HG   ARG  10          1HG       ARG  10   1.905  28.707 -10.227
   84   2HG   ARG  10          2HG       ARG  10   1.476  28.793  -8.506
   85   1HD   ARG  10          2HD       ARG  10   3.546  30.507  -8.472
   86   2HD   ARG  10          1HD       ARG  10   3.084  30.707 -10.172
   87    HE   ARG  10           HE       ARG  10   1.659  31.670  -7.826
   88   1HH1  ARG  10          1HH2      ARG  10   1.224  30.487 -11.144
   89   2HH1  ARG  10          2HH2      ARG  10  -0.241  31.400 -11.415
   90   1HH2  ARG  10          1HH1      ARG  10  -0.208  32.917  -8.211
   91   2HH2  ARG  10          2HH1      ARG  10  -1.083  32.764  -9.727
   92    H    ALA  11           H        ALA  11   6.500  28.033  -8.369
   93    HA   ALA  11           HA       ALA  11   6.994  30.857  -8.253
   94   1HB   ALA  11          1HB       ALA  11   8.644  28.447  -7.393
   95   2HB   ALA  11          3HB       ALA  11   8.985  30.131  -6.941
   96   3HB   ALA  11          2HB       ALA  11   7.487  29.349  -6.387
   97    H    ASN  12           H        ASN  12   8.729  28.107  -9.858
   98    HA   ASN  12           HA       ASN  12   9.746  29.962 -11.875
   99   1HB   ASN  12          1HB       ASN  12  11.254  30.082  -9.755
  100   2HB   ASN  12          2HB       ASN  12  11.793  28.455 -10.215
  101   1HD2  ASN  12          1HD2      ASN  12  12.803  31.763 -12.512
  102   2HD2  ASN  12          2HD2      ASN  12  11.462  31.832 -11.388
  103    H    VAL  13           H        VAL  13  12.034  27.780 -12.103
  104    HA   VAL  13           HA       VAL  13  10.466  26.072 -13.922
  105    HB   VAL  13           HB       VAL  13  13.465  26.467 -13.499
  106   1HG1  VAL  13          3HG1      VAL  13  11.894  24.835 -15.547
  107   2HG1  VAL  13          1HG1      VAL  13  13.622  25.231 -15.698
  108   3HG1  VAL  13          2HG1      VAL  13  13.059  24.216 -14.350
  109   1HG2  VAL  13          2HG2      VAL  13  11.548  27.393 -15.692
  110   2HG2  VAL  13          3HG2      VAL  13  12.318  28.433 -14.471
  111   3HG2  VAL  13          1HG2      VAL  13  13.312  27.622 -15.703
  112    H    SER  14           H        SER  14  12.692  25.823 -11.102
  113    HA   SER  14           HA       SER  14  11.488  23.229 -10.428
  114   1HB   SER  14          1HB       SER  14  13.334  22.683 -12.034
  115   2HB   SER  14          2HB       SER  14  14.482  23.506 -10.949
  116    HG   SER  14           HG       SER  14  14.403  21.261 -10.552
  117    H    THR  15           H        THR  15  12.422  22.411  -8.333
  118    HA   THR  15           HA       THR  15  12.237  24.420  -6.347
  119    HB   THR  15           HB       THR  15  11.710  21.979  -6.083
  120    HG1  THR  15           HG1      THR  15  12.617  21.892  -3.974
  121   1HG2  THR  15          1HG2      THR  15  13.800  21.161  -7.257
  122   2HG2  THR  15          2HG2      THR  15  14.730  21.651  -5.820
  123   3HG2  THR  15          3HG2      THR  15  13.492  20.381  -5.688
  124    H    THR  16           H        THR  16  14.976  23.130  -8.156
  125    HA   THR  16           HA       THR  16  17.115  23.758  -6.474
  126    HB   THR  16           HB       THR  16  17.101  24.199  -9.485
  127    HG1  THR  16           HG1      THR  16  17.524  21.910  -9.524
  128   1HG2  THR  16          3HG2      THR  16  19.172  23.121  -7.517
  129   2HG2  THR  16          1HG2      THR  16  19.400  23.296  -9.274
  130   3HG2  THR  16          2HG2      THR  16  19.184  24.739  -8.258
  131    H    THR  17           H        THR  17  15.583  25.885  -8.987
  132    HA   THR  17           HA       THR  17  17.174  28.165  -8.418
  133    HB   THR  17           HB       THR  17  14.308  28.192  -9.434
  134    HG1  THR  17           HG1      THR  17  16.695  27.686 -10.889
  135   1HG2  THR  17          2HG2      THR  17  16.786  29.896  -9.961
  136   2HG2  THR  17          3HG2      THR  17  15.235  30.075 -10.810
  137   3HG2  THR  17          1HG2      THR  17  15.332  30.391  -9.062
  138    H    VAL  18           H        VAL  18  13.954  27.135  -7.173
  139    HA   VAL  18           HA       VAL  18  13.432  29.441  -5.614
  140    HB   VAL  18           HB       VAL  18  12.600  26.533  -5.214
  141   1HG1  VAL  18          2HG1      VAL  18  11.586  29.133  -3.987
  142   2HG1  VAL  18          3HG1      VAL  18  10.685  27.600  -3.940
  143   3HG1  VAL  18          1HG1      VAL  18  12.262  27.727  -3.129
  144   1HG2  VAL  18          1HG2      VAL  18  11.264  28.912  -6.580
  145   2HG2  VAL  18          2HG2      VAL  18  11.899  27.458  -7.381
  146   3HG2  VAL  18          3HG2      VAL  18  10.494  27.336  -6.299
  147    H    SER  19           H        SER  19  15.328  26.480  -4.926
  148    HA   SER  19           HA       SER  19  15.687  27.002  -2.137
  149   1HB   SER  19          2HB       SER  19  16.053  24.796  -3.296
  150   2HB   SER  19          1HB       SER  19  17.529  25.475  -4.022
  151    HG   SER  19           HG       SER  19  18.273  25.881  -1.876
  152    H    HIS  20           H        HIS  20  17.698  27.699  -5.053
  153    HA   HIS  20           HA       HIS  20  19.887  28.853  -3.769
  154   1HB   HIS  20          1HB       HIS  20  18.550  29.380  -6.425
  155   2HB   HIS  20          2HB       HIS  20  19.970  30.297  -5.919
  156    HD1  HIS  20           HD1      HIS  20  22.024  28.481  -4.978
  157    HD2  HIS  20           HD2      HIS  20  19.309  27.276  -7.901
  158    HE1  HIS  20           HE1      HIS  20  23.063  26.516  -6.228
  159    H    VAL  21           H        VAL  21  16.835  30.431  -4.845
  160    HA   VAL  21           HA       VAL  21  17.467  33.075  -4.136
  161    HB   VAL  21           HB       VAL  21  14.841  31.534  -4.112
  162   1HG1  VAL  21          3HG1      VAL  21  15.374  34.497  -3.625
  163   2HG1  VAL  21          2HG1      VAL  21  13.787  33.848  -4.105
  164   3HG1  VAL  21          1HG1      VAL  21  14.512  33.361  -2.558
  165   1HG2  VAL  21          2HG2      VAL  21  16.001  31.911  -6.297
  166   2HG2  VAL  21          3HG2      VAL  21  14.454  32.781  -6.191
  167   3HG2  VAL  21          1HG2      VAL  21  15.987  33.660  -5.975
  168    H    ILE  22           H        ILE  22  15.963  30.501  -2.094
  169    HA   ILE  22           HA       ILE  22  15.792  32.116   0.256
  170    HB   ILE  22           HB       ILE  22  15.940  29.087  -0.091
  171   1HG1  ILE  22          1HG1      ILE  22  13.468  30.753   0.485
  172   2HG1  ILE  22          2HG1      ILE  22  14.026  30.525  -1.185
  173   1HG2  ILE  22          2HG2      ILE  22  15.143  30.843   2.276
  174   2HG2  ILE  22          1HG2      ILE  22  14.812  29.097   2.174
  175   3HG2  ILE  22          3HG2      ILE  22  16.491  29.681   2.209
  176   1HD1  ILE  22          2HD1      ILE  22  13.970  28.049  -0.836
  177   2HD1  ILE  22          1HD1      ILE  22  13.309  28.320   0.793
  178   3HD1  ILE  22          3HD1      ILE  22  12.373  28.808  -0.636
  179    H    ASN  23           H        ASN  23  18.337  29.954  -1.044
  180    HA   ASN  23           HA       ASN  23  20.008  30.187   1.327
  181   1HB   ASN  23          2HB       ASN  23  20.725  29.242  -1.478
  182   2HB   ASN  23          1HB       ASN  23  21.633  28.928   0.014
  183   1HD2  ASN  23          1HD2      ASN  23  18.701  26.831   1.226
  184   2HD2  ASN  23          2HD2      ASN  23  19.394  28.350   1.747
  185    H    LYS  24           H        LYS  24  19.234  32.377  -1.130
  186    HA   LYS  24           HA       LYS  24  20.170  34.314  -1.887
  187   1HB   LYS  24          2HB       LYS  24  21.910  34.096   0.609
  188   2HB   LYS  24          1HB       LYS  24  21.583  35.568  -0.334
  189   1HG   LYS  24          1HG       LYS  24  19.139  35.300   0.162
  190   2HG   LYS  24          2HG       LYS  24  19.530  33.899   1.189
  191   1HD   LYS  24          2HD       LYS  24  20.995  35.353   2.587
  192   2HD   LYS  24          1HD       LYS  24  20.537  36.754   1.585
  193   1HE   LYS  24          1HE       LYS  24  18.161  36.424   2.196
  194   2HE   LYS  24          2HE       LYS  24  18.604  35.011   3.181
  195   1HZ   LYS  24          1HZ       LYS  24  19.515  37.767   3.634
  196   2HZ   LYS  24          3HZ       LYS  24  18.359  36.977   4.505
  197   3HZ   LYS  24          2HZ       LYS  24  19.923  36.455   4.549
  198    H    THR  25           H        THR  25  21.070  32.152  -3.238
  199    HA   THR  25           HA       THR  25  24.028  32.537  -3.502
  200    HB   THR  25           HB       THR  25  23.622  30.311  -4.922
  201    HG1  THR  25           HG1      THR  25  21.466  30.334  -3.077
  202   1HG2  THR  25          1HG2      THR  25  23.527  30.427  -1.869
  203   2HG2  THR  25          3HG2      THR  25  23.979  28.999  -2.831
  204   3HG2  THR  25          2HG2      THR  25  24.997  30.458  -2.874
  205    H    ARG  26           H        ARG  26  21.581  31.273  -5.775
  206    HA   ARG  26           HA       ARG  26  22.697  32.774  -7.972
  207   1HB   ARG  26          1HB       ARG  26  21.510  30.473  -7.972
  208   2HB   ARG  26          2HB       ARG  26  19.990  31.393  -7.916
  209   1HG   ARG  26          2HG       ARG  26  20.712  32.639  -9.969
  210   2HG   ARG  26          1HG       ARG  26  22.171  31.622 -10.040
  211   1HD   ARG  26          2HD       ARG  26  19.273  30.691 -10.234
  212   2HD   ARG  26          1HD       ARG  26  20.474  30.691 -11.539
  213    HE   ARG  26           HE       ARG  26  20.175  28.728  -9.405
  214   1HH1  ARG  26          2HH1      ARG  26  22.379  30.140 -11.795
  215   2HH1  ARG  26          1HH1      ARG  26  23.478  28.782 -11.780
  216   1HH2  ARG  26          1HH2      ARG  26  21.729  27.021  -9.254
  217   2HH2  ARG  26          2HH2      ARG  26  23.063  26.968 -10.391
  218    H    PHE  27           H        PHE  27  22.556  34.985  -7.623
  219    HA   PHE  27           HA       PHE  27  20.141  36.224  -6.622
  220   1HB   PHE  27          1HB       PHE  27  22.533  37.049  -6.352
  221   2HB   PHE  27          2HB       PHE  27  22.479  37.534  -8.055
  222    HD1  PHE  27           HD2      PHE  27  20.912  39.345  -8.796
  223    HD2  PHE  27           HD1      PHE  27  21.397  38.308  -4.639
  224    HE1  PHE  27           HE2      PHE  27  19.840  41.486  -8.134
  225    HE2  PHE  27           HE1      PHE  27  20.327  40.451  -3.983
  226    HZ   PHE  27           HZ       PHE  27  19.544  42.038  -5.729
  227    H    VAL  28           H        VAL  28  18.375  35.840  -7.938
  228    HA   VAL  28           HA       VAL  28  18.584  36.267 -10.839
  229    HB   VAL  28           HB       VAL  28  15.858  36.016  -9.711
  230   1HG1  VAL  28          3HG1      VAL  28  16.496  35.688 -12.100
  231   2HG1  VAL  28          1HG1      VAL  28  17.507  34.302 -11.630
  232   3HG1  VAL  28          2HG1      VAL  28  15.743  34.233 -11.410
  233   1HG2  VAL  28          1HG2      VAL  28  17.925  33.835  -9.147
  234   2HG2  VAL  28          2HG2      VAL  28  16.918  34.695  -7.955
  235   3HG2  VAL  28          3HG2      VAL  28  16.166  33.580  -9.114
  236    H    ALA  29           H        ALA  29  16.566  37.621 -11.738
  237    HA   ALA  29           HA       ALA  29  17.013  40.338 -10.930
  238   1HB   ALA  29          2HB       ALA  29  16.392  39.671 -13.233
  239   2HB   ALA  29          1HB       ALA  29  14.810  39.104 -12.642
  240   3HB   ALA  29          3HB       ALA  29  15.223  40.834 -12.561
  241    H    GLU  30           H        GLU  30  15.327  41.821 -10.124
  242    HA   GLU  30           HA       GLU  30  14.167  40.945  -7.707
  243   1HB   GLU  30          1HB       GLU  30  13.519  43.325  -9.494
  244   2HB   GLU  30          2HB       GLU  30  12.906  43.115  -7.835
  245   1HG   GLU  30          2HG       GLU  30  15.255  42.978  -7.007
  246   2HG   GLU  30          1HG       GLU  30  15.840  43.260  -8.660
  247    H    GLU  31           H        GLU  31  12.868  41.087 -11.022
  248    HA   GLU  31           HA       GLU  31  10.135  40.698 -10.436
  249   1HB   GLU  31          1HB       GLU  31  11.817  39.784 -12.813
  250   2HB   GLU  31          2HB       GLU  31  10.038  39.797 -12.767
  251   1HG   GLU  31          2HG       GLU  31  10.081  42.247 -12.327
  252   2HG   GLU  31          1HG       GLU  31  11.854  42.224 -12.419
  253    H    THR  32           H        THR  32  12.721  38.245 -11.154
  254    HA   THR  32           HA       THR  32  10.970  36.006 -10.788
  255    HB   THR  32           HB       THR  32  13.490  35.014 -10.357
  256    HG1  THR  32           HG1      THR  32  14.306  37.197 -10.467
  257   1HG2  THR  32          1HG2      THR  32  12.258  35.876 -13.014
  258   2HG2  THR  32          3HG2      THR  32  13.552  34.670 -12.821
  259   3HG2  THR  32          2HG2      THR  32  11.933  34.350 -12.153
  260    H    ARG  33           H        ARG  33  13.292  37.717  -8.648
  261    HA   ARG  33           HA       ARG  33  13.174  35.973  -6.441
  262   1HB   ARG  33          1HB       ARG  33  14.763  37.843  -6.737
  263   2HB   ARG  33          2HB       ARG  33  13.446  39.010  -6.498
  264   1HG   ARG  33          1HG       ARG  33  13.072  38.181  -4.226
  265   2HG   ARG  33          2HG       ARG  33  14.288  36.904  -4.456
  266   1HD   ARG  33          1HD       ARG  33  14.893  39.886  -4.672
  267   2HD   ARG  33          2HD       ARG  33  15.100  38.949  -3.184
  268    HE   ARG  33           HE       ARG  33  16.936  37.815  -4.113
  269   1HH1  ARG  33          2HH2      ARG  33  15.640  40.271  -6.335
  270   2HH1  ARG  33          1HH2      ARG  33  16.875  40.007  -7.543
  271   1HH2  ARG  33          2HH1      ARG  33  18.598  37.566  -5.684
  272   2HH2  ARG  33          1HH1      ARG  33  18.532  38.458  -7.191
  273    H    ASN  34           H        ASN  34  11.162  38.884  -7.160
  274    HA   ASN  34           HA       ASN  34   9.490  38.647  -4.866
  275   1HB   ASN  34          2HB       ASN  34   9.025  39.915  -7.599
  276   2HB   ASN  34          1HB       ASN  34   7.956  40.132  -6.196
  277   1HD2  ASN  34          1HD2      ASN  34  10.366  43.016  -6.364
  278   2HD2  ASN  34          2HD2      ASN  34   9.192  42.322  -7.458
  279    H    ALA  35           H        ALA  35   9.133  37.446  -8.251
  280    HA   ALA  35           HA       ALA  35   6.530  36.390  -8.002
  281   1HB   ALA  35          3HB       ALA  35   7.728  36.633 -10.140
  282   2HB   ALA  35          1HB       ALA  35   8.883  35.372  -9.650
  283   3HB   ALA  35          2HB       ALA  35   7.173  34.958  -9.914
  284    H    VAL  36           H        VAL  36   9.720  34.930  -7.200
  285    HA   VAL  36           HA       VAL  36   8.712  32.333  -6.592
  286    HB   VAL  36           HB       VAL  36  11.210  33.876  -5.811
  287   1HG1  VAL  36          2HG1      VAL  36  10.355  31.063  -5.017
  288   2HG1  VAL  36          1HG1      VAL  36  12.053  31.598  -5.018
  289   3HG1  VAL  36          3HG1      VAL  36  10.876  32.389  -3.947
  290   1HG2  VAL  36          1HG2      VAL  36  10.802  33.000  -8.182
  291   2HG2  VAL  36          2HG2      VAL  36  12.284  32.413  -7.393
  292   3HG2  VAL  36          3HG2      VAL  36  10.852  31.363  -7.492
  293    H    TRP  37           H        TRP  37   9.572  35.099  -4.405
  294    HA   TRP  37           HA       TRP  37   8.742  33.863  -2.010
  295   1HB   TRP  37          1HB       TRP  37   8.818  36.768  -2.864
  296   2HB   TRP  37          2HB       TRP  37   8.449  36.252  -1.213
  297    HD1  TRP  37           HD1      TRP  37  11.178  37.607  -2.953
  298    HE1  TRP  37           HE1      TRP  37  13.487  36.963  -2.013
  299    HE3  TRP  37           HE3      TRP  37   9.790  33.595  -0.081
  300    HZ2  TRP  37           HZ2      TRP  37  14.572  34.980  -0.262
  301    HZ3  TRP  37           HZ3      TRP  37  11.504  32.359   1.213
  302    HH2  TRP  37           HH2      TRP  37  13.885  33.043   1.125
  303    H    ALA  38           H        ALA  38   6.867  35.731  -4.425
  304    HA   ALA  38           HA       ALA  38   4.454  35.845  -2.897
  305   1HB   ALA  38          3HB       ALA  38   4.914  37.295  -4.840
  306   2HB   ALA  38          2HB       ALA  38   4.895  35.875  -5.913
  307   3HB   ALA  38          1HB       ALA  38   3.409  36.376  -5.074
  308    H    ALA  39           H        ALA  39   5.431  33.687  -5.620
  309    HA   ALA  39           HA       ALA  39   3.223  32.008  -5.698
  310   1HB   ALA  39          1HB       ALA  39   6.169  31.375  -6.106
  311   2HB   ALA  39          3HB       ALA  39   4.830  30.321  -6.616
  312   3HB   ALA  39          2HB       ALA  39   5.013  31.939  -7.339
  313    H    ILE  40           H        ILE  40   6.135  31.712  -3.596
  314    HA   ILE  40           HA       ILE  40   5.584  29.220  -2.449
  315    HB   ILE  40           HB       ILE  40   6.996  31.710  -1.465
  316   1HG1  ILE  40          1HG1      ILE  40   8.103  28.919  -1.926
  317   2HG1  ILE  40          2HG1      ILE  40   7.852  30.037  -3.284
  318   1HG2  ILE  40          3HG2      ILE  40   6.525  29.094   0.030
  319   2HG2  ILE  40          2HG2      ILE  40   7.850  30.208   0.425
  320   3HG2  ILE  40          1HG2      ILE  40   6.167  30.746   0.589
  321   1HD1  ILE  40          1HD1      ILE  40   9.521  30.642  -0.802
  322   2HD1  ILE  40          3HD1      ILE  40  10.170  30.179  -2.389
  323   3HD1  ILE  40          2HD1      ILE  40   9.296  31.713  -2.200
  324    H    LYS  41           H        LYS  41   4.364  32.464  -1.471
  325    HA   LYS  41           HA       LYS  41   2.935  31.339   0.812
  326   1HB   LYS  41          1HB       LYS  41   3.957  33.610   0.821
  327   2HB   LYS  41          2HB       LYS  41   2.840  34.107  -0.473
  328   1HG   LYS  41          2HG       LYS  41   0.913  33.773   0.967
  329   2HG   LYS  41          1HG       LYS  41   1.919  33.008   2.220
  330   1HD   LYS  41          2HD       LYS  41   1.441  35.319   2.865
  331   2HD   LYS  41          1HD       LYS  41   3.173  35.161   2.484
  332   1HE   LYS  41          2HE       LYS  41   2.852  36.161   0.294
  333   2HE   LYS  41          1HE       LYS  41   1.084  36.118   0.476
  334   1HZ   LYS  41          3HZ       LYS  41   2.937  37.705   2.114
  335   2HZ   LYS  41          1HZ       LYS  41   1.976  38.286   0.905
  336   3HZ   LYS  41          2HZ       LYS  41   1.296  37.670   2.276
  337    H    GLU  42           H        GLU  42   2.174  32.444  -2.513
  338    HA   GLU  42           HA       GLU  42  -0.604  32.592  -2.368
  339   1HB   GLU  42          1HB       GLU  42   1.308  31.745  -4.557
  340   2HB   GLU  42          2HB       GLU  42  -0.447  31.756  -4.829
  341   1HG   GLU  42          1HG       GLU  42  -0.588  34.116  -4.330
  342   2HG   GLU  42          2HG       GLU  42   1.100  34.160  -3.784
  343    H    LEU  43           H        LEU  43   1.343  29.718  -3.356
  344    HA   LEU  43           HA       LEU  43  -0.975  27.974  -3.198
  345   1HB   LEU  43          1HB       LEU  43   1.976  27.673  -3.760
  346   2HB   LEU  43          2HB       LEU  43   1.022  26.230  -3.361
  347    HG   LEU  43           HG       LEU  43   1.235  26.738  -5.845
  348   1HD1  LEU  43          2HD1      LEU  43  -0.592  25.333  -4.808
  349   2HD1  LEU  43          3HD1      LEU  43  -1.628  26.780  -4.800
  350   3HD1  LEU  43          1HD1      LEU  43  -1.046  26.113  -6.341
  351   1HD2  LEU  43          3HD2      LEU  43   0.987  29.233  -5.598
  352   2HD2  LEU  43          2HD2      LEU  43  -0.103  28.518  -6.808
  353   3HD2  LEU  43          1HD2      LEU  43  -0.733  28.980  -5.213
  354    H    HIS  44           H        HIS  44   1.993  28.535  -1.251
  355    HA   HIS  44           HA       HIS  44   2.463  28.140   0.940
  356   1HB   HIS  44          1HB       HIS  44   0.802  28.788   2.277
  357   2HB   HIS  44          2HB       HIS  44  -0.346  28.615   0.944
  358    HD1  HIS  44           HD1      HIS  44   1.181  26.562   3.814
  359    HD2  HIS  44           HD2      HIS  44  -2.171  26.548   1.300
  360    HE1  HIS  44           HE1      HIS  44  -0.391  24.736   4.630
  361    H    TYR  45           H        TYR  45   3.493  26.430   1.806
  362    HA   TYR  45           HA       TYR  45   2.303  23.775   1.753
  363   1HB   TYR  45          1HB       TYR  45   3.891  22.677   0.370
  364   2HB   TYR  45          2HB       TYR  45   3.152  23.990  -0.546
  365    HD1  TYR  45           HD2      TYR  45   4.579  26.327  -0.416
  366    HD2  TYR  45           HD1      TYR  45   6.126  22.351   0.056
  367    HE1  TYR  45           HE2      TYR  45   6.831  27.104  -1.118
  368    HE2  TYR  45           HE1      TYR  45   8.352  23.105  -0.660
  369    HH   TYR  45           HH       TYR  45   9.006  26.520  -1.543
  370    H    SER  46           H        SER  46   5.294  22.824   1.847
  371    HA   SER  46           HA       SER  46   5.471  22.372   4.539
  372   1HB   SER  46          1HB       SER  46   6.881  21.424   2.627
  373   2HB   SER  46          2HB       SER  46   7.953  22.820   2.863
  374    HG   SER  46           HG       SER  46   8.085  22.183   5.089
  375    HA   PRO  47           HA       PRO  47   8.251  26.257   5.281
  376   1HB   PRO  47          2HB       PRO  47   7.262  28.391   3.546
  377   2HB   PRO  47          1HB       PRO  47   8.931  27.786   3.743
  378   1HG   PRO  47          1HG       PRO  47   7.243  27.382   1.500
  379   2HG   PRO  47          2HG       PRO  47   8.776  26.531   1.842
  380   1HD   PRO  47          2HD       PRO  47   6.010  25.563   2.084
  381   2HD   PRO  47          1HD       PRO  47   7.528  24.633   2.053
  382    H    SER  48           H        SER  48   7.535  27.244   7.086
  383    HA   SER  48           HA       SER  48   6.165  28.200   8.634
  384   1HB   SER  48          1HB       SER  48   4.491  29.213   6.303
  385   2HB   SER  48          2HB       SER  48   4.605  29.896   7.940
  386    HG   SER  48           HG       SER  48   6.677  29.736   6.000
  387    H    ALA  49           H        ALA  49   5.565  25.438   7.411
  388    HA   ALA  49           HA       ALA  49   2.665  25.181   7.680
  389   1HB   ALA  49          2HB       ALA  49   3.943  23.736   6.148
  390   2HB   ALA  49          1HB       ALA  49   4.876  23.093   7.519
  391   3HB   ALA  49          3HB       ALA  49   3.131  22.770   7.400
  392    H    VAL  50           H        VAL  50   5.405  25.244   9.815
  393    HA   VAL  50           HA       VAL  50   4.299  23.538  11.876
  394    HB   VAL  50           HB       VAL  50   6.472  25.673  12.079
  395   1HG1  VAL  50          3HG1      VAL  50   5.843  23.174  13.720
  396   2HG1  VAL  50          1HG1      VAL  50   7.259  24.227  13.951
  397   3HG1  VAL  50          2HG1      VAL  50   5.625  24.856  14.254
  398   1HG2  VAL  50          3HG2      VAL  50   6.601  22.730  11.282
  399   2HG2  VAL  50          2HG2      VAL  50   7.072  24.132  10.290
  400   3HG2  VAL  50          1HG2      VAL  50   8.020  23.706  11.733
  401    H    ALA  51           H        ALA  51   2.114  24.490  11.886
  402    HA   ALA  51           HA       ALA  51   1.871  26.467  14.004
  403   1HB   ALA  51          1HB       ALA  51   2.189  27.868  11.930
  404   2HB   ALA  51          2HB       ALA  51   0.736  27.104  11.243
  405   3HB   ALA  51          3HB       ALA  51   0.612  28.105  12.713
  406    H    ARG  52           H        ARG  52  -0.953  26.966  12.803
  407    HA   ARG  52           HA       ARG  52  -2.111  24.283  13.421
  408   1HB   ARG  52          1HB       ARG  52  -3.114  27.048  14.228
  409   2HB   ARG  52          2HB       ARG  52  -4.017  25.538  14.459
  410   1HG   ARG  52          1HG       ARG  52  -1.268  26.149  15.653
  411   2HG   ARG  52          2HG       ARG  52  -2.808  26.257  16.527
  412   1HD   ARG  52          2HD       ARG  52  -1.483  23.764  15.386
  413   2HD   ARG  52          1HD       ARG  52  -1.834  24.124  17.082
  414    HE   ARG  52           HE       ARG  52  -3.656  23.027  15.094
  415   1HH1  ARG  52          2HH1      ARG  52  -3.429  24.897  18.098
  416   2HH1  ARG  52          1HH1      ARG  52  -5.035  24.474  18.639
  417   1HH2  ARG  52          2HH2      ARG  52  -5.774  22.478  15.817
  418   2HH2  ARG  52          1HH2      ARG  52  -6.377  23.107  17.333
  419    H    SER  53           H        SER  53  -3.100  27.510  12.136
  420    HA   SER  53           HA       SER  53  -3.637  26.509   9.500
  421   1HB   SER  53          1HB       SER  53  -5.555  25.404  10.487
  422   2HB   SER  53          2HB       SER  53  -5.998  26.867  11.400
  423    HG   SER  53           HG       SER  53  -7.249  26.728   9.533
  424    H    LEU  54           H        LEU  54  -5.129  28.853  11.816
  425    HA   LEU  54           HA       LEU  54  -5.352  31.122  11.736
  426   1HB   LEU  54          2HB       LEU  54  -2.676  30.583  11.249
  427   2HB   LEU  54          1HB       LEU  54  -3.096  31.626   9.873
  428    HG   LEU  54           HG       LEU  54  -3.696  32.290  12.797
  429   1HD1  LEU  54          1HD1      LEU  54  -1.262  32.220  12.357
  430   2HD1  LEU  54          2HD1      LEU  54  -1.481  33.295  10.956
  431   3HD1  LEU  54          3HD1      LEU  54  -1.819  33.893  12.598
  432   1HD2  LEU  54          2HD2      LEU  54  -3.840  33.925  10.223
  433   2HD2  LEU  54          1HD2      LEU  54  -5.216  33.408  11.226
  434   3HD2  LEU  54          3HD2      LEU  54  -4.047  34.589  11.860
  435    H    LYS  55           H        LYS  55  -6.743  29.441   9.789
  436    HA   LYS  55           HA       LYS  55  -7.562  31.538   7.944
  437   1HB   LYS  55          2HB       LYS  55  -5.603  30.521   6.767
  438   2HB   LYS  55          1HB       LYS  55  -6.374  28.926   6.895
  439   1HG   LYS  55          1HG       LYS  55  -6.835  29.760   4.681
  440   2HG   LYS  55          2HG       LYS  55  -8.351  29.878   5.595
  441   1HD   LYS  55          2HD       LYS  55  -7.951  32.282   5.993
  442   2HD   LYS  55          1HD       LYS  55  -6.367  32.168   5.193
  443   1HE   LYS  55          2HE       LYS  55  -7.786  33.019   3.506
  444   2HE   LYS  55          1HE       LYS  55  -7.688  31.285   3.138
  445   1HZ   LYS  55          1HZ       LYS  55  -9.781  31.036   4.380
  446   2HZ   LYS  55          3HZ       LYS  55  -9.874  32.680   4.520
  447   3HZ   LYS  55          2HZ       LYS  55  -9.925  31.980   3.030
  448    H    VAL  56           H        VAL  56  -9.662  31.194   7.205
  449    HA   VAL  56           HA       VAL  56 -10.976  28.637   7.990
  450    HB   VAL  56           HB       VAL  56 -12.967  29.989   8.670
  451   1HG1  VAL  56          2HG1      VAL  56 -11.270  29.188  10.333
  452   2HG1  VAL  56          3HG1      VAL  56 -10.427  30.747  10.179
  453   3HG1  VAL  56          1HG1      VAL  56 -12.079  30.690  10.837
  454   1HG2  VAL  56          1HG2      VAL  56 -12.424  32.032   7.344
  455   2HG2  VAL  56          3HG2      VAL  56 -12.718  32.406   9.056
  456   3HG2  VAL  56          2HG2      VAL  56 -11.055  32.358   8.432
   
  No H/Q in entry =         456
  Start of MODEL          17
 Raw file had  466 H/Q atoms
  Start of MODEL   17
    1   1H    MET   1          2H        MET   1  -1.600  20.022  -1.775
    2   2H    MET   1          3H        MET   1  -1.936  19.774  -0.180
    3   3H    MET   1          1H        MET   1  -0.462  20.362  -0.631
    4    HA   MET   1           HA       MET   1  -0.220  18.103  -0.044
    5   1HB   MET   1          1HB       MET   1  -1.423  16.388  -1.495
    6   2HB   MET   1          2HB       MET   1  -2.434  17.259  -0.323
    7   1HG   MET   1          1HG       MET   1  -2.158  18.352  -3.122
    8   2HG   MET   1          2HG       MET   1  -3.214  16.962  -2.841
    9   1HE   MET   1          3HE       MET   1  -4.074  19.786  -4.093
   10   2HE   MET   1          2HE       MET   1  -5.168  18.393  -3.916
   11   3HE   MET   1          1HE       MET   1  -5.665  19.994  -3.322
   12    H    ALA   2           H        ALA   2   1.591  19.520  -1.060
   13    HA   ALA   2           HA       ALA   2   2.727  17.983  -3.247
   14   1HB   ALA   2          1HB       ALA   2   1.741  20.823  -3.669
   15   2HB   ALA   2          3HB       ALA   2   3.047  20.121  -4.647
   16   3HB   ALA   2          2HB       ALA   2   1.429  19.386  -4.667
   17    H    THR   3           H        THR   3   3.120  21.392  -2.180
   18    HA   THR   3           HA       THR   3   4.758  22.505  -1.092
   19    HB   THR   3           HB       THR   3   5.752  21.604   0.802
   20    HG1  THR   3           HG1      THR   3   5.942  19.276  -0.738
   21   1HG2  THR   3          1HG2      THR   3   3.196  21.255   0.654
   22   2HG2  THR   3          3HG2      THR   3   3.568  19.533   0.400
   23   3HG2  THR   3          2HG2      THR   3   4.076  20.338   1.901
   24    H    ILE   4           H        ILE   4   6.599  23.384  -1.761
   25    HA   ILE   4           HA       ILE   4   8.635  23.710  -2.716
   26    HB   ILE   4           HB       ILE   4   8.828  21.052  -1.723
   27   1HG1  ILE   4          2HG1      ILE   4  10.243  23.093  -1.244
   28   2HG1  ILE   4          1HG1      ILE   4  11.155  21.588  -1.487
   29   1HG2  ILE   4          1HG2      ILE   4   9.983  21.305  -4.535
   30   2HG2  ILE   4          2HG2      ILE   4  10.424  20.042  -3.369
   31   3HG2  ILE   4          3HG2      ILE   4   8.762  20.139  -3.984
   32   1HD1  ILE   4          1HD1      ILE   4  10.666  23.610  -3.714
   33   2HD1  ILE   4          3HD1      ILE   4  12.106  23.627  -2.672
   34   3HD1  ILE   4          2HD1      ILE   4  11.791  22.232  -3.725
   35    H    LYS   5           H        LYS   5   6.461  21.370  -4.213
   36    HA   LYS   5           HA       LYS   5   7.515  21.578  -6.875
   37   1HB   LYS   5          1HB       LYS   5   4.822  20.713  -5.748
   38   2HB   LYS   5          2HB       LYS   5   5.313  20.496  -7.435
   39   1HG   LYS   5          2HG       LYS   5   7.186  19.074  -6.754
   40   2HG   LYS   5          1HG       LYS   5   6.855  19.408  -5.038
   41   1HD   LYS   5          1HD       LYS   5   4.580  18.374  -5.328
   42   2HD   LYS   5          2HD       LYS   5   5.041  17.917  -6.985
   43   1HE   LYS   5          2HE       LYS   5   6.896  16.562  -6.136
   44   2HE   LYS   5          1HE       LYS   5   6.573  17.105  -4.475
   45   1HZ   LYS   5          1HZ       LYS   5   4.729  15.538  -6.144
   46   2HZ   LYS   5          2HZ       LYS   5   5.652  14.947  -4.910
   47   3HZ   LYS   5          3HZ       LYS   5   4.450  16.031  -4.594
   48    H    ASP   6           H        ASP   6   4.501  22.792  -5.383
   49    HA   ASP   6           HA       ASP   6   3.442  24.291  -7.427
   50   1HB   ASP   6          1HB       ASP   6   3.483  25.359  -4.589
   51   2HB   ASP   6          2HB       ASP   6   2.169  25.408  -5.779
   52    H    VAL   7           H        VAL   7   5.635  25.627  -4.889
   53    HA   VAL   7           HA       VAL   7   5.821  28.213  -6.033
   54    HB   VAL   7           HB       VAL   7   7.703  26.692  -4.177
   55   1HG1  VAL   7          3HG1      VAL   7   8.827  28.627  -5.262
   56   2HG1  VAL   7          2HG1      VAL   7   7.483  29.679  -4.769
   57   3HG1  VAL   7          1HG1      VAL   7   8.528  28.933  -3.539
   58   1HG2  VAL   7          1HG2      VAL   7   5.362  26.990  -3.357
   59   2HG2  VAL   7          3HG2      VAL   7   6.523  27.947  -2.414
   60   3HG2  VAL   7          2HG2      VAL   7   5.503  28.740  -3.635
   61    H    ALA   8           H        ALA   8   8.027  25.352  -6.335
   62    HA   ALA   8           HA       ALA   8  10.004  26.633  -7.883
   63   1HB   ALA   8          3HB       ALA   8   9.031  23.749  -7.992
   64   2HB   ALA   8          1HB       ALA   8  10.569  24.347  -8.653
   65   3HB   ALA   8          2HB       ALA   8  10.279  24.395  -6.900
   66    H    LYS   9           H        LYS   9   6.977  24.992  -8.889
   67    HA   LYS   9           HA       LYS   9   7.514  25.329 -11.701
   68   1HB   LYS   9          1HB       LYS   9   5.070  24.565 -10.064
   69   2HB   LYS   9          2HB       LYS   9   5.019  24.705 -11.838
   70   1HG   LYS   9          2HG       LYS   9   6.800  23.048 -12.071
   71   2HG   LYS   9          1HG       LYS   9   7.000  22.965 -10.304
   72   1HD   LYS   9          1HD       LYS   9   4.835  21.969 -10.007
   73   2HD   LYS   9          2HD       LYS   9   4.353  22.350 -11.676
   74   1HE   LYS   9          1HE       LYS   9   4.959  19.949 -11.404
   75   2HE   LYS   9          2HE       LYS   9   6.017  20.784 -12.563
   76   1HZ   LYS   9          3HZ       LYS   9   6.676  20.270  -9.746
   77   2HZ   LYS   9          1HZ       LYS   9   7.225  19.388 -11.027
   78   3HZ   LYS   9          2HZ       LYS   9   7.662  20.971 -10.867
   79    H    ARG  10           H        ARG  10   6.342  27.541  -9.245
   80    HA   ARG  10           HA       ARG  10   4.642  29.149 -10.856
   81   1HB   ARG  10          1HB       ARG  10   4.888  29.434  -8.399
   82   2HB   ARG  10          2HB       ARG  10   6.550  30.009  -8.639
   83   1HG   ARG  10          2HG       ARG  10   5.008  31.910  -8.346
   84   2HG   ARG  10          1HG       ARG  10   5.719  31.925  -9.972
   85   1HD   ARG  10          2HD       ARG  10   3.091  30.500  -9.546
   86   2HD   ARG  10          1HD       ARG  10   3.100  32.277  -9.601
   87    HE   ARG  10           HE       ARG  10   4.606  31.352 -11.814
   88   1HH1  ARG  10          1HH1      ARG  10   1.271  31.374 -10.612
   89   2HH1  ARG  10          2HH1      ARG  10   0.557  31.250 -12.201
   90   1HH2  ARG  10          2HH2      ARG  10   3.660  31.137 -13.896
   91   2HH2  ARG  10          1HH2      ARG  10   1.920  31.151 -14.082
   92    H    ALA  11           H        ALA  11   8.188  29.115 -10.357
   93    HA   ALA  11           HA       ALA  11   8.545  30.988 -12.647
   94   1HB   ALA  11          1HB       ALA  11   9.757  31.485 -10.549
   95   2HB   ALA  11          2HB       ALA  11  10.516  29.876 -10.602
   96   3HB   ALA  11          3HB       ALA  11  10.888  31.078 -11.861
   97    H    ASN  12           H        ASN  12   7.930  27.837 -12.298
   98    HA   ASN  12           HA       ASN  12   8.177  25.999 -13.585
   99   1HB   ASN  12          1HB       ASN  12   8.101  27.490 -15.532
  100   2HB   ASN  12          2HB       ASN  12   9.846  27.762 -15.420
  101   1HD2  ASN  12          1HD2      ASN  12  10.389  25.088 -17.625
  102   2HD2  ASN  12          2HD2      ASN  12  10.644  26.772 -17.230
  103    H    VAL  13           H        VAL  13  11.361  27.313 -14.376
  104    HA   VAL  13           HA       VAL  13  13.381  26.134 -14.329
  105    HB   VAL  13           HB       VAL  13  12.983  26.513 -11.340
  106   1HG1  VAL  13          3HG1      VAL  13  15.154  25.565 -12.317
  107   2HG1  VAL  13          2HG1      VAL  13  15.348  27.107 -13.177
  108   3HG1  VAL  13          1HG1      VAL  13  15.346  27.074 -11.400
  109   1HG2  VAL  13          3HG2      VAL  13  13.125  28.551 -13.570
  110   2HG2  VAL  13          2HG2      VAL  13  12.116  28.550 -12.106
  111   3HG2  VAL  13          1HG2      VAL  13  13.850  28.916 -11.991
  112    H    SER  14           H        SER  14  13.629  24.740 -11.329
  113    HA   SER  14           HA       SER  14  12.149  22.321 -11.547
  114   1HB   SER  14          1HB       SER  14  14.816  22.396 -12.928
  115   2HB   SER  14          2HB       SER  14  14.420  20.968 -11.944
  116    HG   SER  14           HG       SER  14  12.804  22.048 -14.013
  117    H    THR  15           H        THR  15  11.920  23.013  -9.383
  118    HA   THR  15           HA       THR  15  12.312  23.065  -7.135
  119    HB   THR  15           HB       THR  15  13.887  21.081  -6.397
  120    HG1  THR  15           HG1      THR  15  14.032  19.521  -8.012
  121   1HG2  THR  15          2HG2      THR  15  11.421  21.151  -6.208
  122   2HG2  THR  15          3HG2      THR  15  11.276  20.670  -7.915
  123   3HG2  THR  15          1HG2      THR  15  11.975  19.543  -6.727
  124    H    THR  16           H        THR  16  14.851  24.045  -9.084
  125    HA   THR  16           HA       THR  16  16.848  24.280  -6.954
  126    HB   THR  16           HB       THR  16  17.939  25.619  -9.005
  127    HG1  THR  16           HG1      THR  16  16.218  23.797 -10.322
  128   1HG2  THR  16          2HG2      THR  16  17.556  22.595  -8.874
  129   2HG2  THR  16          1HG2      THR  16  18.817  23.428  -9.815
  130   3HG2  THR  16          3HG2      THR  16  18.816  23.535  -8.039
  131    H    THR  17           H        THR  17  14.699  26.391  -8.911
  132    HA   THR  17           HA       THR  17  15.676  28.878  -8.140
  133    HB   THR  17           HB       THR  17  13.949  28.466  -9.867
  134    HG1  THR  17           HG1      THR  17  12.727  30.315  -9.327
  135   1HG2  THR  17          3HG2      THR  17  12.598  26.844  -8.419
  136   2HG2  THR  17          1HG2      THR  17  11.954  28.274  -7.576
  137   3HG2  THR  17          2HG2      THR  17  11.650  28.054  -9.313
  138    H    VAL  18           H        VAL  18  13.370  26.774  -6.341
  139    HA   VAL  18           HA       VAL  18  12.698  28.660  -4.336
  140    HB   VAL  18           HB       VAL  18  12.901  25.621  -4.105
  141   1HG1  VAL  18          2HG1      VAL  18  11.324  27.728  -2.557
  142   2HG1  VAL  18          1HG1      VAL  18  11.100  25.972  -2.390
  143   3HG1  VAL  18          3HG1      VAL  18  12.645  26.716  -1.926
  144   1HG2  VAL  18          3HG2      VAL  18  10.712  27.475  -5.126
  145   2HG2  VAL  18          1HG2      VAL  18  11.503  26.145  -5.999
  146   3HG2  VAL  18          2HG2      VAL  18  10.411  25.790  -4.643
  147    H    SER  19           H        SER  19  15.175  26.026  -4.287
  148    HA   SER  19           HA       SER  19  16.264  26.689  -1.764
  149   1HB   SER  19          1HB       SER  19  17.669  25.443  -4.162
  150   2HB   SER  19          2HB       SER  19  18.147  25.297  -2.452
  151    HG   SER  19           HG       SER  19  16.890  23.510  -3.252
  152    H    HIS  20           H        HIS  20  17.100  27.830  -5.073
  153    HA   HIS  20           HA       HIS  20  19.454  29.248  -4.345
  154   1HB   HIS  20          1HB       HIS  20  17.458  29.609  -6.607
  155   2HB   HIS  20          2HB       HIS  20  18.972  30.521  -6.485
  156    HD1  HIS  20           HD1      HIS  20  19.560  29.327  -8.849
  157    HD2  HIS  20           HD2      HIS  20  19.403  26.813  -5.508
  158    HE1  HIS  20           HE1      HIS  20  20.724  27.149  -9.462
  159    H    VAL  21           H        VAL  21  16.011  30.269  -4.543
  160    HA   VAL  21           HA       VAL  21  16.502  33.030  -4.012
  161    HB   VAL  21           HB       VAL  21  14.109  31.182  -3.841
  162   1HG1  VAL  21          2HG1      VAL  21  14.320  34.049  -2.864
  163   2HG1  VAL  21          3HG1      VAL  21  12.784  33.366  -3.435
  164   3HG1  VAL  21          1HG1      VAL  21  13.608  32.648  -2.033
  165   1HG2  VAL  21          1HG2      VAL  21  14.840  33.638  -5.493
  166   2HG2  VAL  21          3HG2      VAL  21  14.845  31.954  -6.052
  167   3HG2  VAL  21          2HG2      VAL  21  13.311  32.742  -5.628
  168    H    ILE  22           H        ILE  22  15.546  30.310  -1.829
  169    HA   ILE  22           HA       ILE  22  15.467  31.940   0.526
  170    HB   ILE  22           HB       ILE  22  15.829  28.938   0.131
  171   1HG1  ILE  22          2HG1      ILE  22  13.363  30.502   1.013
  172   2HG1  ILE  22          1HG1      ILE  22  13.689  30.122  -0.692
  173   1HG2  ILE  22          1HG2      ILE  22  15.190  30.563   2.639
  174   2HG2  ILE  22          3HG2      ILE  22  15.104  28.791   2.525
  175   3HG2  ILE  22          2HG2      ILE  22  16.667  29.613   2.349
  176   1HD1  ILE  22          3HD1      ILE  22  13.876  27.677  -0.014
  177   2HD1  ILE  22          2HD1      ILE  22  13.265  28.151   1.589
  178   3HD1  ILE  22          1HD1      ILE  22  12.251  28.383   0.148
  179    H    ASN  23           H        ASN  23  17.966  29.689  -0.763
  180    HA   ASN  23           HA       ASN  23  19.866  30.141   1.306
  181   1HB   ASN  23          1HB       ASN  23  19.787  28.227  -0.338
  182   2HB   ASN  23          2HB       ASN  23  20.376  29.345  -1.587
  183   1HD2  ASN  23          1HD2      ASN  23  22.923  27.700   1.158
  184   2HD2  ASN  23          2HD2      ASN  23  21.210  27.340   1.121
  185    H    LYS  24           H        LYS  24  19.115  31.898  -1.691
  186    HA   LYS  24           HA       LYS  24  19.863  33.894  -2.515
  187   1HB   LYS  24          2HB       LYS  24  19.686  34.515   0.007
  188   2HB   LYS  24          1HB       LYS  24  21.457  34.353   0.026
  189   1HG   LYS  24          2HG       LYS  24  21.183  35.893  -2.193
  190   2HG   LYS  24          1HG       LYS  24  19.735  36.414  -1.303
  191   1HD   LYS  24          1HD       LYS  24  22.579  36.371  -0.187
  192   2HD   LYS  24          2HD       LYS  24  21.730  37.820  -0.774
  193   1HE   LYS  24          1HE       LYS  24  19.976  37.504   0.942
  194   2HE   LYS  24          2HE       LYS  24  20.795  36.037   1.523
  195   1HZ   LYS  24          3HZ       LYS  24  21.925  38.749   1.541
  196   2HZ   LYS  24          2HZ       LYS  24  21.333  37.939   2.851
  197   3HZ   LYS  24          1HZ       LYS  24  22.684  37.387   2.081
  198    H    THR  25           H        THR  25  21.185  31.480  -3.132
  199    HA   THR  25           HA       THR  25  24.055  31.791  -2.878
  200    HB   THR  25           HB       THR  25  22.812  29.600  -3.091
  201    HG1  THR  25           HG1      THR  25  24.858  30.284  -4.931
  202   1HG2  THR  25          1HG2      THR  25  21.297  30.459  -4.971
  203   2HG2  THR  25          3HG2      THR  25  22.693  30.276  -6.058
  204   3HG2  THR  25          2HG2      THR  25  22.017  28.855  -5.230
  205    H    ARG  26           H        ARG  26  21.587  32.772  -5.215
  206    HA   ARG  26           HA       ARG  26  23.534  34.446  -6.600
  207   1HB   ARG  26          2HB       ARG  26  23.475  31.948  -7.577
  208   2HB   ARG  26          1HB       ARG  26  22.008  32.544  -8.382
  209   1HG   ARG  26          2HG       ARG  26  24.667  34.038  -8.488
  210   2HG   ARG  26          1HG       ARG  26  24.221  32.787  -9.671
  211   1HD   ARG  26          1HD       ARG  26  22.056  34.117 -10.047
  212   2HD   ARG  26          2HD       ARG  26  22.831  35.432  -9.141
  213    HE   ARG  26           HE       ARG  26  24.654  34.629 -11.126
  214   1HH1  ARG  26          2HH2      ARG  26  21.425  36.067 -10.869
  215   2HH1  ARG  26          1HH2      ARG  26  21.538  36.913 -12.400
  216   1HH2  ARG  26          2HH1      ARG  26  24.812  35.793 -13.114
  217   2HH2  ARG  26          1HH1      ARG  26  23.482  36.786 -13.658
  218    H    PHE  27           H        PHE  27  22.492  36.326  -7.005
  219    HA   PHE  27           HA       PHE  27  19.756  36.718  -6.418
  220   1HB   PHE  27          1HB       PHE  27  20.074  38.933  -7.300
  221   2HB   PHE  27          2HB       PHE  27  21.553  38.464  -6.447
  222    HD1  PHE  27           HD1      PHE  27  23.634  37.960  -7.708
  223    HD2  PHE  27           HD2      PHE  27  20.049  39.274  -9.704
  224    HE1  PHE  27           HE1      PHE  27  24.956  38.478  -9.747
  225    HE2  PHE  27           HE2      PHE  27  21.370  39.789 -11.740
  226    HZ   PHE  27           HZ       PHE  27  23.825  39.394 -11.763
  227    H    VAL  28           H        VAL  28  17.929  37.041  -7.741
  228    HA   VAL  28           HA       VAL  28  18.123  35.741 -10.418
  229    HB   VAL  28           HB       VAL  28  15.435  36.160  -9.219
  230   1HG1  VAL  28          1HG1      VAL  28  16.934  33.741 -10.336
  231   2HG1  VAL  28          3HG1      VAL  28  15.195  33.801  -9.966
  232   3HG1  VAL  28          2HG1      VAL  28  15.865  34.815 -11.265
  233   1HG2  VAL  28          1HG2      VAL  28  17.478  34.303  -7.904
  234   2HG2  VAL  28          3HG2      VAL  28  16.610  35.654  -7.130
  235   3HG2  VAL  28          2HG2      VAL  28  15.719  34.208  -7.653
  236    H    ALA  29           H        ALA  29  15.859  36.672 -11.658
  237    HA   ALA  29           HA       ALA  29  16.676  39.384 -12.325
  238   1HB   ALA  29          3HB       ALA  29  15.989  37.676 -14.012
  239   2HB   ALA  29          1HB       ALA  29  14.338  37.724 -13.349
  240   3HB   ALA  29          2HB       ALA  29  15.033  39.172 -14.113
  241    H    GLU  30           H        GLU  30  15.756  39.270  -9.623
  242    HA   GLU  30           HA       GLU  30  14.470  40.458  -8.179
  243   1HB   GLU  30          1HB       GLU  30  14.735  42.086 -10.467
  244   2HB   GLU  30          2HB       GLU  30  13.011  42.173 -10.044
  245   1HG   GLU  30          1HG       GLU  30  13.591  42.753  -7.721
  246   2HG   GLU  30          2HG       GLU  30  15.321  42.615  -8.105
  247    H    GLU  31           H        GLU  31  12.216  40.500 -11.011
  248    HA   GLU  31           HA       GLU  31   9.927  39.973  -9.446
  249   1HB   GLU  31          2HB       GLU  31  10.625  39.931 -12.357
  250   2HB   GLU  31          1HB       GLU  31   9.127  39.106 -11.867
  251   1HG   GLU  31          2HG       GLU  31   9.787  41.915 -10.919
  252   2HG   GLU  31          1HG       GLU  31   8.962  41.619 -12.465
  253    H    THR  32           H        THR  32  12.220  37.747 -11.042
  254    HA   THR  32           HA       THR  32  10.652  35.392 -10.792
  255    HB   THR  32           HB       THR  32  13.675  35.568 -10.558
  256    HG1  THR  32           HG1      THR  32  12.011  35.682 -12.854
  257   1HG2  THR  32          3HG2      THR  32  11.767  33.515 -11.763
  258   2HG2  THR  32          2HG2      THR  32  13.542  33.407 -11.784
  259   3HG2  THR  32          1HG2      THR  32  12.666  33.334 -10.238
  260    H    ARG  33           H        ARG  33  12.891  37.058  -8.530
  261    HA   ARG  33           HA       ARG  33  12.724  35.027  -6.492
  262   1HB   ARG  33          1HB       ARG  33  14.574  36.729  -6.776
  263   2HB   ARG  33          2HB       ARG  33  13.448  37.975  -6.188
  264   1HG   ARG  33          2HG       ARG  33  13.237  36.906  -4.054
  265   2HG   ARG  33          1HG       ARG  33  14.024  35.429  -4.634
  266   1HD   ARG  33          2HD       ARG  33  16.054  37.043  -5.130
  267   2HD   ARG  33          1HD       ARG  33  15.241  38.101  -3.958
  268    HE   ARG  33           HE       ARG  33  15.806  35.266  -3.228
  269   1HH1  ARG  33          1HH1      ARG  33  16.711  38.679  -2.897
  270   2HH1  ARG  33          2HH1      ARG  33  17.386  38.479  -1.301
  271   1HH2  ARG  33          2HH2      ARG  33  16.788  34.992  -1.170
  272   2HH2  ARG  33          1HH2      ARG  33  17.411  36.382  -0.302
  273    H    ASN  34           H        ASN  34  11.068  38.148  -7.124
  274    HA   ASN  34           HA       ASN  34   9.521  38.284  -4.762
  275   1HB   ASN  34          2HB       ASN  34   9.761  40.137  -6.353
  276   2HB   ASN  34          1HB       ASN  34   8.919  39.202  -7.604
  277   1HD2  ASN  34          1HD2      ASN  34   6.006  40.948  -6.644
  278   2HD2  ASN  34          2HD2      ASN  34   7.255  40.745  -7.862
  279    H    ALA  35           H        ALA  35   8.858  36.699  -7.920
  280    HA   ALA  35           HA       ALA  35   6.222  35.855  -7.397
  281   1HB   ALA  35          2HB       ALA  35   7.288  35.810  -9.619
  282   2HB   ALA  35          3HB       ALA  35   8.394  34.527  -9.072
  283   3HB   ALA  35          1HB       ALA  35   6.648  34.206  -9.192
  284    H    VAL  36           H        VAL  36   9.374  34.265  -6.673
  285    HA   VAL  36           HA       VAL  36   8.262  31.813  -5.735
  286    HB   VAL  36           HB       VAL  36  10.889  33.265  -5.282
  287   1HG1  VAL  36          1HG1      VAL  36   9.959  30.608  -4.122
  288   2HG1  VAL  36          2HG1      VAL  36  11.667  31.074  -4.256
  289   3HG1  VAL  36          3HG1      VAL  36  10.566  32.021  -3.229
  290   1HG2  VAL  36          3HG2      VAL  36  10.410  32.234  -7.500
  291   2HG2  VAL  36          2HG2      VAL  36  11.743  31.407  -6.662
  292   3HG2  VAL  36          1HG2      VAL  36  10.123  30.673  -6.699
  293    H    TRP  37           H        TRP  37   9.384  34.739  -3.905
  294    HA   TRP  37           HA       TRP  37   8.606  33.796  -1.351
  295   1HB   TRP  37          2HB       TRP  37   8.848  36.591  -2.503
  296   2HB   TRP  37          1HB       TRP  37   8.526  36.270  -0.793
  297    HD1  TRP  37           HD1      TRP  37  11.250  37.198  -2.818
  298    HE1  TRP  37           HE1      TRP  37  13.552  36.513  -1.887
  299    HE3  TRP  37           HE3      TRP  37   9.727  33.719   0.615
  300    HZ2  TRP  37           HZ2      TRP  37  14.579  34.701   0.068
  301    HZ3  TRP  37           HZ3      TRP  37  11.407  32.531   1.995
  302    HH2  TRP  37           HH2      TRP  37  13.825  33.015   1.728
  303    H    ALA  38           H        ALA  38   6.775  35.564  -3.868
  304    HA   ALA  38           HA       ALA  38   4.469  36.092  -2.279
  305   1HB   ALA  38          2HB       ALA  38   4.769  35.710  -5.286
  306   2HB   ALA  38          3HB       ALA  38   3.357  36.423  -4.473
  307   3HB   ALA  38          1HB       ALA  38   4.934  37.242  -4.397
  308    H    ALA  39           H        ALA  39   5.173  33.449  -4.637
  309    HA   ALA  39           HA       ALA  39   2.732  32.085  -4.389
  310   1HB   ALA  39          3HB       ALA  39   5.529  31.011  -4.926
  311   2HB   ALA  39          1HB       ALA  39   4.015  30.134  -5.243
  312   3HB   ALA  39          2HB       ALA  39   4.380  31.627  -6.136
  313    H    ILE  40           H        ILE  40   5.694  31.857  -2.367
  314    HA   ILE  40           HA       ILE  40   5.091  29.515  -0.960
  315    HB   ILE  40           HB       ILE  40   6.653  32.022  -0.329
  316   1HG1  ILE  40          2HG1      ILE  40   7.442  29.080  -0.504
  317   2HG1  ILE  40          1HG1      ILE  40   7.442  30.186  -1.894
  318   1HG2  ILE  40          3HG2      ILE  40   6.063  29.715   1.570
  319   2HG2  ILE  40          2HG2      ILE  40   7.463  30.790   1.758
  320   3HG2  ILE  40          1HG2      ILE  40   5.820  31.450   1.865
  321   1HD1  ILE  40          1HD1      ILE  40   8.945  31.711  -0.434
  322   2HD1  ILE  40          2HD1      ILE  40   9.181  30.277   0.588
  323   3HD1  ILE  40          3HD1      ILE  40   9.675  30.246  -1.120
  324    H    LYS  41           H        LYS  41   4.246  32.903   0.077
  325    HA   LYS  41           HA       LYS  41   2.600  31.752   2.216
  326   1HB   LYS  41          1HB       LYS  41   2.714  33.779   3.257
  327   2HB   LYS  41          2HB       LYS  41   4.173  33.905   2.261
  328   1HG   LYS  41          2HG       LYS  41   1.499  34.973   1.260
  329   2HG   LYS  41          1HG       LYS  41   2.522  35.925   2.338
  330   1HD   LYS  41          1HD       LYS  41   3.780  34.691  -0.097
  331   2HD   LYS  41          2HD       LYS  41   2.772  36.133  -0.305
  332   1HE   LYS  41          2HE       LYS  41   5.019  35.979   1.746
  333   2HE   LYS  41          1HE       LYS  41   5.285  36.528   0.078
  334   1HZ   LYS  41          3HZ       LYS  41   3.655  38.236   0.443
  335   2HZ   LYS  41          1HZ       LYS  41   3.418  37.735   1.996
  336   3HZ   LYS  41          2HZ       LYS  41   4.877  38.353   1.545
  337    H    GLU  42           H        GLU  42   2.115  33.103  -1.006
  338    HA   GLU  42           HA       GLU  42  -0.646  33.818  -0.610
  339   1HB   GLU  42          2HB       GLU  42   0.812  34.748  -2.403
  340   2HB   GLU  42          1HB       GLU  42   0.844  33.149  -3.181
  341   1HG   GLU  42          1HG       GLU  42  -1.606  33.212  -3.445
  342   2HG   GLU  42          2HG       GLU  42  -1.670  34.777  -2.607
  343    H    LEU  43           H        LEU  43   1.000  30.932  -2.034
  344    HA   LEU  43           HA       LEU  43  -1.557  29.607  -2.508
  345   1HB   LEU  43          2HB       LEU  43   1.293  28.536  -2.640
  346   2HB   LEU  43          1HB       LEU  43  -0.157  27.744  -3.291
  347    HG   LEU  43           HG       LEU  43   0.939  30.455  -4.188
  348   1HD1  LEU  43          2HD1      LEU  43   2.309  28.475  -4.868
  349   2HD1  LEU  43          3HD1      LEU  43   0.861  27.760  -5.614
  350   3HD1  LEU  43          1HD1      LEU  43   1.535  29.278  -6.253
  351   1HD2  LEU  43          1HD2      LEU  43  -1.464  28.794  -5.047
  352   2HD2  LEU  43          3HD2      LEU  43  -1.445  30.484  -4.485
  353   3HD2  LEU  43          2HD2      LEU  43  -0.758  30.067  -6.069
  354    H    HIS  44           H        HIS  44   0.539  29.979   0.230
  355    HA   HIS  44           HA       HIS  44   0.648  28.911   2.274
  356   1HB   HIS  44          2HB       HIS  44  -2.126  27.957   1.552
  357   2HB   HIS  44          1HB       HIS  44  -1.454  28.107   3.180
  358    HD1  HIS  44           HD1      HIS  44  -0.818  30.705   3.909
  359    HD2  HIS  44           HD2      HIS  44  -3.499  30.203   0.733
  360    HE1  HIS  44           HE1      HIS  44  -2.065  32.902   3.596
  361    H    TYR  45           H        TYR  45   1.867  27.554   0.253
  362    HA   TYR  45           HA       TYR  45   0.995  24.837  -0.060
  363   1HB   TYR  45          2HB       TYR  45   2.825  24.606  -1.458
  364   2HB   TYR  45          1HB       TYR  45   2.476  26.336  -1.575
  365    HD1  TYR  45           HD1      TYR  45   3.778  27.115   1.171
  366    HD2  TYR  45           HD2      TYR  45   5.102  24.695  -2.138
  367    HE1  TYR  45           HE1      TYR  45   6.135  27.565   1.777
  368    HE2  TYR  45           HE2      TYR  45   7.461  25.164  -1.528
  369    HH   TYR  45           HH       TYR  45   8.878  26.247  -0.095
  370    H    SER  46           H        SER  46   1.329  25.687   2.802
  371    HA   SER  46           HA       SER  46   2.280  24.991   4.773
  372   1HB   SER  46          2HB       SER  46   2.317  22.488   4.969
  373   2HB   SER  46          1HB       SER  46   0.810  23.143   4.290
  374    HG   SER  46           HG       SER  46   2.941  22.353   2.617
  375    HA   PRO  47           HA       PRO  47   6.654  24.997   3.239
  376   1HB   PRO  47          1HB       PRO  47   7.273  26.728   5.485
  377   2HB   PRO  47          2HB       PRO  47   7.329  27.110   3.744
  378   1HG   PRO  47          2HG       PRO  47   5.392  27.999   5.690
  379   2HG   PRO  47          1HG       PRO  47   5.416  28.341   3.938
  380   1HD   PRO  47          1HD       PRO  47   3.663  26.552   5.408
  381   2HD   PRO  47          2HD       PRO  47   3.632  26.953   3.666
  382    H    SER  48           H        SER  48   8.445  23.906   4.206
  383    HA   SER  48           HA       SER  48   7.849  21.847   6.010
  384   1HB   SER  48          1HB       SER  48  10.574  23.125   5.534
  385   2HB   SER  48          2HB       SER  48  10.246  21.461   6.075
  386    HG   SER  48           HG       SER  48  10.633  21.540   3.836
  387    H    ALA  49           H        ALA  49   9.698  24.882   6.656
  388    HA   ALA  49           HA       ALA  49  10.117  26.041   8.571
  389   1HB   ALA  49          2HB       ALA  49   7.433  24.850   9.386
  390   2HB   ALA  49          1HB       ALA  49   8.268  26.166  10.243
  391   3HB   ALA  49          3HB       ALA  49   7.712  26.404   8.571
  392    H    VAL  50           H        VAL  50   8.402  23.579  10.483
  393    HA   VAL  50           HA       VAL  50  10.695  23.194  12.169
  394    HB   VAL  50           HB       VAL  50   8.275  23.042  12.864
  395   1HG1  VAL  50          1HG1      VAL  50   7.533  21.698  10.858
  396   2HG1  VAL  50          3HG1      VAL  50   8.390  20.295  11.538
  397   3HG1  VAL  50          2HG1      VAL  50   7.018  21.009  12.414
  398   1HG2  VAL  50          2HG2      VAL  50  10.211  22.062  14.173
  399   2HG2  VAL  50          1HG2      VAL  50   8.642  21.277  14.468
  400   3HG2  VAL  50          3HG2      VAL  50   9.845  20.492  13.420
  401    H    ALA  51           H        ALA  51  11.982  21.300  12.445
  402    HA   ALA  51           HA       ALA  51  11.771  19.082  10.572
  403   1HB   ALA  51          1HB       ALA  51  14.068  21.075  10.320
  404   2HB   ALA  51          2HB       ALA  51  13.998  19.485   9.525
  405   3HB   ALA  51          3HB       ALA  51  12.817  20.746   9.098
  406    H    ARG  52           H        ARG  52  13.944  20.913  12.796
  407    HA   ARG  52           HA       ARG  52  15.475  18.650  13.616
  408   1HB   ARG  52          2HB       ARG  52  14.885  21.293  15.018
  409   2HB   ARG  52          1HB       ARG  52  16.136  20.131  15.514
  410   1HG   ARG  52          1HG       ARG  52  17.144  20.329  13.207
  411   2HG   ARG  52          2HG       ARG  52  15.975  21.623  12.858
  412   1HD   ARG  52          1HD       ARG  52  16.837  22.904  14.812
  413   2HD   ARG  52          2HD       ARG  52  18.043  21.633  15.102
  414    HE   ARG  52           HE       ARG  52  18.124  23.724  13.076
  415   1HH1  ARG  52          1HH1      ARG  52  19.204  20.448  13.903
  416   2HH1  ARG  52          2HH1      ARG  52  20.611  20.507  12.869
  417   1HH2  ARG  52          1HH2      ARG  52  19.975  23.783  11.702
  418   2HH2  ARG  52          2HH2      ARG  52  21.045  22.403  11.608
  419    H    SER  53           H        SER  53  12.564  20.244  15.020
  420    HA   SER  53           HA       SER  53  12.394  18.505  17.291
  421   1HB   SER  53          1HB       SER  53  10.132  20.013  15.922
  422   2HB   SER  53          2HB       SER  53  10.234  19.523  17.629
  423    HG   SER  53           HG       SER  53  10.801  21.724  17.307
  424    H    LEU  54           H        LEU  54  10.422  17.056  17.647
  425    HA   LEU  54           HA       LEU  54  10.389  15.025  15.572
  426   1HB   LEU  54          2HB       LEU  54   8.785  15.299  18.155
  427   2HB   LEU  54          1HB       LEU  54   8.901  13.833  17.156
  428    HG   LEU  54           HG       LEU  54  11.268  15.224  18.502
  429   1HD1  LEU  54          1HD1      LEU  54   9.706  14.180  20.122
  430   2HD1  LEU  54          3HD1      LEU  54   9.797  12.651  19.215
  431   3HD1  LEU  54          2HD1      LEU  54  11.244  13.287  20.033
  432   1HD2  LEU  54          3HD2      LEU  54  10.977  12.667  16.871
  433   2HD2  LEU  54          2HD2      LEU  54  12.047  14.052  16.549
  434   3HD2  LEU  54          1HD2      LEU  54  12.372  12.983  17.930
  435    H    LYS  55           H        LYS  55   9.575  16.589  13.900
  436    HA   LYS  55           HA       LYS  55   7.927  17.402  12.548
  437   1HB   LYS  55          2HB       LYS  55   6.324  15.200  13.924
  438   2HB   LYS  55          1HB       LYS  55   5.795  16.076  12.471
  439   1HG   LYS  55          1HG       LYS  55   8.496  14.690  12.545
  440   2HG   LYS  55          2HG       LYS  55   7.012  13.780  12.182
  441   1HD   LYS  55          1HD       LYS  55   6.514  15.233  10.284
  442   2HD   LYS  55          2HD       LYS  55   7.871  16.305  10.695
  443   1HE   LYS  55          1HE       LYS  55   8.537  14.825   8.869
  444   2HE   LYS  55          2HE       LYS  55   9.456  14.415  10.332
  445   1HZ   LYS  55          3HZ       LYS  55   7.056  13.004   9.388
  446   2HZ   LYS  55          1HZ       LYS  55   8.609  12.482   9.195
  447   3HZ   LYS  55          2HZ       LYS  55   7.963  12.606  10.706
  448    H    VAL  56           H        VAL  56   5.127  16.724  14.386
  449    HA   VAL  56           HA       VAL  56   3.550  18.168  15.202
  450    HB   VAL  56           HB       VAL  56   5.002  17.470  17.146
  451   1HG1  VAL  56          2HG1      VAL  56   6.263  20.194  16.637
  452   2HG1  VAL  56          1HG1      VAL  56   6.327  19.383  18.214
  453   3HG1  VAL  56          3HG1      VAL  56   7.068  18.617  16.794
  454   1HG2  VAL  56          3HG2      VAL  56   2.818  18.909  17.216
  455   2HG2  VAL  56          1HG2      VAL  56   3.819  18.785  18.680
  456   3HG2  VAL  56          2HG2      VAL  56   3.907  20.242  17.668
   
  No H/Q in entry =         456
  Start of MODEL          18
 Raw file had  466 H/Q atoms
  Start of MODEL   18
    1   1H    MET   1          3H        MET   1   2.733  20.589   3.292
    2   2H    MET   1          1H        MET   1   3.347  19.142   2.783
    3   3H    MET   1          2H        MET   1   4.286  20.175   3.670
    4    HA   MET   1           HA       MET   1   4.407  21.748   1.973
    5   1HB   MET   1          2HB       MET   1   4.888  18.896   1.026
    6   2HB   MET   1          1HB       MET   1   5.379  20.328   0.089
    7   1HG   MET   1          1HG       MET   1   6.709  21.132   1.999
    8   2HG   MET   1          2HG       MET   1   6.225  19.715   2.947
    9   1HE   MET   1          3HE       MET   1   8.767  19.340   3.506
   10   2HE   MET   1          1HE       MET   1  10.044  19.148   2.281
   11   3HE   MET   1          2HE       MET   1   9.236  20.721   2.484
   12    H    ALA   2           H        ALA   2   3.599  19.479  -0.483
   13    HA   ALA   2           HA       ALA   2   2.063  19.541  -2.168
   14   1HB   ALA   2          3HB       ALA   2   0.638  18.732  -0.262
   15   2HB   ALA   2          1HB       ALA   2   0.123  20.412   0.013
   16   3HB   ALA   2          2HB       ALA   2  -0.273  19.602  -1.519
   17    H    THR   3           H        THR   3   3.628  22.001  -1.631
   18    HA   THR   3           HA       THR   3   1.963  23.798  -3.250
   19    HB   THR   3           HB       THR   3   3.347  24.970  -0.823
   20    HG1  THR   3           HG1      THR   3   0.776  23.791  -1.005
   21   1HG2  THR   3          2HG2      THR   3   2.590  26.421  -2.711
   22   2HG2  THR   3          3HG2      THR   3   0.935  25.803  -2.500
   23   3HG2  THR   3          1HG2      THR   3   1.699  26.758  -1.210
   24    H    ILE   4           H        ILE   4   5.102  23.597  -1.422
   25    HA   ILE   4           HA       ILE   4   6.612  25.149  -3.224
   26    HB   ILE   4           HB       ILE   4   7.367  24.389  -0.947
   27   1HG1  ILE   4          2HG1      ILE   4   9.331  23.478  -3.085
   28   2HG1  ILE   4          1HG1      ILE   4   8.929  25.191  -2.840
   29   1HG2  ILE   4          2HG2      ILE   4   6.579  21.974  -1.339
   30   2HG2  ILE   4          1HG2      ILE   4   8.079  21.751  -2.274
   31   3HG2  ILE   4          3HG2      ILE   4   8.157  22.177  -0.550
   32   1HD1  ILE   4          3HD1      ILE   4   9.617  24.988  -0.448
   33   2HD1  ILE   4          2HD1      ILE   4  10.085  23.297  -0.746
   34   3HD1  ILE   4          1HD1      ILE   4  10.949  24.616  -1.568
   35    H    LYS   5           H        LYS   5   5.723  21.741  -3.284
   36    HA   LYS   5           HA       LYS   5   7.479  20.870  -5.306
   37   1HB   LYS   5          1HB       LYS   5   4.665  19.965  -4.555
   38   2HB   LYS   5          2HB       LYS   5   5.816  19.025  -5.521
   39   1HG   LYS   5          2HG       LYS   5   6.484  20.049  -2.713
   40   2HG   LYS   5          1HG       LYS   5   5.688  18.483  -2.995
   41   1HD   LYS   5          1HD       LYS   5   7.584  17.789  -4.461
   42   2HD   LYS   5          2HD       LYS   5   8.393  19.337  -4.121
   43   1HE   LYS   5          2HE       LYS   5   8.407  18.797  -1.702
   44   2HE   LYS   5          1HE       LYS   5   7.610  17.245  -2.044
   45   1HZ   LYS   5          3HZ       LYS   5   9.509  16.637  -3.359
   46   2HZ   LYS   5          1HZ       LYS   5  10.248  18.076  -3.038
   47   3HZ   LYS   5          2HZ       LYS   5   9.969  17.002  -1.818
   48    H    ASP   6           H        ASP   6   3.982  21.605  -5.617
   49    HA   ASP   6           HA       ASP   6   3.943  21.563  -8.449
   50   1HB   ASP   6          1HB       ASP   6   2.100  23.129  -6.599
   51   2HB   ASP   6          2HB       ASP   6   1.724  22.495  -8.216
   52    H    VAL   7           H        VAL   7   4.031  24.386  -6.187
   53    HA   VAL   7           HA       VAL   7   3.975  26.372  -8.194
   54    HB   VAL   7           HB       VAL   7   5.117  26.414  -5.372
   55   1HG1  VAL   7          3HG1      VAL   7   4.622  28.628  -7.405
   56   2HG1  VAL   7          1HG1      VAL   7   4.733  28.938  -5.659
   57   3HG1  VAL   7          2HG1      VAL   7   6.128  28.262  -6.531
   58   1HG2  VAL   7          1HG2      VAL   7   2.662  25.923  -5.622
   59   2HG2  VAL   7          3HG2      VAL   7   2.975  27.477  -4.822
   60   3HG2  VAL   7          2HG2      VAL   7   2.483  27.441  -6.531
   61    H    ALA   8           H        ALA   8   6.804  24.720  -6.651
   62    HA   ALA   8           HA       ALA   8   8.827  26.350  -7.731
   63   1HB   ALA   8          3HB       ALA   8   8.803  23.352  -7.196
   64   2HB   ALA   8          2HB       ALA   8  10.263  24.305  -7.544
   65   3HB   ALA   8          1HB       ALA   8   9.316  24.637  -6.079
   66    H    LYS   9           H        LYS   9   7.414  23.329  -9.111
   67    HA   LYS   9           HA       LYS   9   8.932  23.391 -11.511
   68   1HB   LYS   9          1HB       LYS   9   6.118  22.262 -11.064
   69   2HB   LYS   9          2HB       LYS   9   7.245  21.789 -12.350
   70   1HG   LYS   9          2HG       LYS   9   7.933  21.491  -9.395
   71   2HG   LYS   9          1HG       LYS   9   7.087  20.223 -10.298
   72   1HD   LYS   9          1HD       LYS   9   9.646  21.398 -11.365
   73   2HD   LYS   9          2HD       LYS   9   9.706  20.149 -10.114
   74   1HE   LYS   9          1HE       LYS   9   8.682  18.542 -11.509
   75   2HE   LYS   9          2HE       LYS   9   8.044  19.771 -12.622
   76   1HZ   LYS   9          1HZ       LYS   9  10.902  19.196 -12.257
   77   2HZ   LYS   9          3HZ       LYS   9   9.969  18.573 -13.474
   78   3HZ   LYS   9          2HZ       LYS   9  10.225  20.202 -13.378
   79    H    ARG  10           H        ARG  10   5.637  24.630 -10.754
   80    HA   ARG  10           HA       ARG  10   5.015  25.550 -13.352
   81   1HB   ARG  10          1HB       ARG  10   3.438  25.268 -11.422
   82   2HB   ARG  10          2HB       ARG  10   4.146  26.716 -10.671
   83   1HG   ARG  10          2HG       ARG  10   3.325  27.089 -13.503
   84   2HG   ARG  10          1HG       ARG  10   1.985  26.715 -12.399
   85   1HD   ARG  10          1HD       ARG  10   2.701  28.558 -10.899
   86   2HD   ARG  10          2HD       ARG  10   4.046  28.928 -11.996
   87    HE   ARG  10           HE       ARG  10   2.583  30.006 -13.428
   88   1HH1  ARG  10          1HH2      ARG  10   0.755  28.022 -11.125
   89   2HH1  ARG  10          2HH2      ARG  10  -0.795  28.692 -11.574
   90   1HH2  ARG  10          1HH1      ARG  10   0.528  30.858 -14.035
   91   2HH2  ARG  10          2HH1      ARG  10  -0.928  30.293 -13.247
   92    H    ALA  11           H        ALA  11   6.857  27.080 -10.691
   93    HA   ALA  11           HA       ALA  11   6.955  29.677 -11.949
   94   1HB   ALA  11          2HB       ALA  11   7.158  29.368  -9.507
   95   2HB   ALA  11          1HB       ALA  11   8.668  28.457  -9.743
   96   3HB   ALA  11          3HB       ALA  11   8.593  30.185 -10.171
   97    H    ASN  12           H        ASN  12   9.306  26.914 -11.666
   98    HA   ASN  12           HA       ASN  12  10.512  27.545 -14.189
   99   1HB   ASN  12          1HB       ASN  12  11.342  29.373 -12.496
  100   2HB   ASN  12          2HB       ASN  12  12.295  28.051 -11.799
  101   1HD2  ASN  12          1HD2      ASN  12  14.864  28.916 -14.059
  102   2HD2  ASN  12          2HD2      ASN  12  14.367  28.596 -12.410
  103    H    VAL  13           H        VAL  13  11.677  25.853 -14.889
  104    HA   VAL  13           HA       VAL  13  12.001  23.517 -14.936
  105    HB   VAL  13           HB       VAL  13  14.338  23.258 -13.620
  106   1HG1  VAL  13          2HG1      VAL  13  13.836  24.956 -16.105
  107   2HG1  VAL  13          3HG1      VAL  13  15.402  24.245 -15.648
  108   3HG1  VAL  13          1HG1      VAL  13  14.029  23.188 -16.054
  109   1HG2  VAL  13          1HG2      VAL  13  13.916  25.521 -12.475
  110   2HG2  VAL  13          2HG2      VAL  13  15.473  25.338 -13.309
  111   3HG2  VAL  13          3HG2      VAL  13  14.160  26.256 -14.073
  112    H    SER  14           H        SER  14  13.423  23.890 -11.665
  113    HA   SER  14           HA       SER  14  11.267  22.314 -10.451
  114   1HB   SER  14          1HB       SER  14  14.112  21.262 -10.752
  115   2HB   SER  14          2HB       SER  14  12.884  20.550  -9.682
  116    HG   SER  14           HG       SER  14  12.675  20.870 -12.498
  117    H    THR  15           H        THR  15  12.397  21.609  -8.092
  118    HA   THR  15           HA       THR  15  12.391  23.973  -6.586
  119    HB   THR  15           HB       THR  15  13.382  22.452  -4.788
  120    HG1  THR  15           HG1      THR  15  14.528  21.050  -6.112
  121   1HG2  THR  15          1HG2      THR  15  10.943  22.718  -5.163
  122   2HG2  THR  15          3HG2      THR  15  10.993  21.429  -6.388
  123   3HG2  THR  15          2HG2      THR  15  11.348  21.052  -4.686
  124    H    THR  16           H        THR  16  14.977  22.652  -8.492
  125    HA   THR  16           HA       THR  16  17.270  23.495  -7.137
  126    HB   THR  16           HB       THR  16  16.833  23.858 -10.124
  127    HG1  THR  16           HG1      THR  16  17.398  21.587 -10.182
  128   1HG2  THR  16          1HG2      THR  16  19.024  24.526  -9.156
  129   2HG2  THR  16          2HG2      THR  16  19.195  22.905  -8.439
  130   3HG2  THR  16          3HG2      THR  16  19.187  23.100 -10.209
  131    H    THR  17           H        THR  17  14.923  25.381  -9.109
  132    HA   THR  17           HA       THR  17  16.411  27.848  -8.974
  133    HB   THR  17           HB       THR  17  13.463  27.268  -9.509
  134    HG1  THR  17           HG1      THR  17  15.026  26.408 -10.978
  135   1HG2  THR  17          1HG2      THR  17  15.150  29.786  -9.900
  136   2HG2  THR  17          2HG2      THR  17  13.527  29.548 -10.584
  137   3HG2  THR  17          3HG2      THR  17  13.745  29.605  -8.822
  138    H    VAL  18           H        VAL  18  13.803  26.371  -6.980
  139    HA   VAL  18           HA       VAL  18  13.283  28.637  -5.361
  140    HB   VAL  18           HB       VAL  18  13.109  25.668  -4.700
  141   1HG1  VAL  18          2HG1      VAL  18  12.001  28.145  -3.312
  142   2HG1  VAL  18          3HG1      VAL  18  11.442  26.488  -2.986
  143   3HG1  VAL  18          1HG1      VAL  18  13.122  26.942  -2.632
  144   1HG2  VAL  18          2HG2      VAL  18  11.098  27.712  -5.742
  145   2HG2  VAL  18          3HG2      VAL  18  11.714  26.288  -6.611
  146   3HG2  VAL  18          1HG2      VAL  18  10.676  26.079  -5.185
  147    H    SER  19           H        SER  19  15.786  26.088  -5.180
  148    HA   SER  19           HA       SER  19  16.830  26.668  -2.631
  149   1HB   SER  19          1HB       SER  19  18.414  25.868  -5.102
  150   2HB   SER  19          2HB       SER  19  18.852  25.580  -3.403
  151    HG   SER  19           HG       SER  19  16.600  24.520  -4.794
  152    H    HIS  20           H        HIS  20  17.411  28.252  -5.804
  153    HA   HIS  20           HA       HIS  20  19.564  29.905  -4.956
  154   1HB   HIS  20          1HB       HIS  20  17.450  30.358  -7.088
  155   2HB   HIS  20          2HB       HIS  20  18.904  31.342  -6.886
  156    HD1  HIS  20           HD1      HIS  20  19.365  30.543  -9.453
  157    HD2  HIS  20           HD2      HIS  20  19.701  27.615  -6.495
  158    HE1  HIS  20           HE1      HIS  20  20.659  28.592 -10.443
  159    H    VAL  21           H        VAL  21  16.060  30.129  -4.522
  160    HA   VAL  21           HA       VAL  21  16.127  32.954  -3.795
  161    HB   VAL  21           HB       VAL  21  13.895  30.954  -3.275
  162   1HG1  VAL  21          3HG1      VAL  21  13.690  33.209  -2.278
  163   2HG1  VAL  21          1HG1      VAL  21  13.938  33.942  -3.876
  164   3HG1  VAL  21          2HG1      VAL  21  12.489  32.962  -3.560
  165   1HG2  VAL  21          2HG2      VAL  21  14.901  32.142  -5.838
  166   2HG2  VAL  21          3HG2      VAL  21  14.151  30.569  -5.539
  167   3HG2  VAL  21          1HG2      VAL  21  13.143  32.028  -5.605
  168    H    ILE  22           H        ILE  22  15.683  29.829  -2.048
  169    HA   ILE  22           HA       ILE  22  15.050  30.721   0.470
  170    HB   ILE  22           HB       ILE  22  16.829  28.411  -0.397
  171   1HG1  ILE  22          2HG1      ILE  22  13.956  28.502   0.648
  172   2HG1  ILE  22          1HG1      ILE  22  14.380  28.501  -1.077
  173   1HG2  ILE  22          2HG2      ILE  22  15.688  29.077   2.360
  174   2HG2  ILE  22          3HG2      ILE  22  16.383  27.504   1.913
  175   3HG2  ILE  22          1HG2      ILE  22  17.409  28.948   1.925
  176   1HD1  ILE  22          2HD1      ILE  22  15.711  26.351  -0.607
  177   2HD1  ILE  22          3HD1      ILE  22  14.889  26.313   0.971
  178   3HD1  ILE  22          1HD1      ILE  22  13.939  26.218  -0.525
  179    H    ASN  23           H        ASN  23  18.439  30.275  -0.734
  180    HA   ASN  23           HA       ASN  23  19.309  32.021   1.543
  181   1HB   ASN  23          1HB       ASN  23  21.487  30.836   1.355
  182   2HB   ASN  23          2HB       ASN  23  20.142  29.749   1.759
  183   1HD2  ASN  23          1HD2      ASN  23  22.067  29.453  -1.894
  184   2HD2  ASN  23          2HD2      ASN  23  22.179  30.925  -0.945
  185    H    LYS  24           H        LYS  24  18.336  32.829  -1.202
  186    HA   LYS  24           HA       LYS  24  19.000  34.096  -3.014
  187   1HB   LYS  24          1HB       LYS  24  18.983  35.574  -0.895
  188   2HB   LYS  24          2HB       LYS  24  20.760  35.536  -1.009
  189   1HG   LYS  24          1HG       LYS  24  20.707  36.521  -3.228
  190   2HG   LYS  24          2HG       LYS  24  18.940  36.325  -3.331
  191   1HD   LYS  24          1HD       LYS  24  18.699  37.887  -1.379
  192   2HD   LYS  24          2HD       LYS  24  20.461  38.154  -1.420
  193   1HE   LYS  24          1HE       LYS  24  20.303  39.010  -3.722
  194   2HE   LYS  24          2HE       LYS  24  18.563  38.657  -3.758
  195   1HZ   LYS  24          1HZ       LYS  24  18.359  40.215  -1.886
  196   2HZ   LYS  24          3HZ       LYS  24  19.938  40.642  -2.095
  197   3HZ   LYS  24          2HZ       LYS  24  18.839  40.917  -3.304
  198    H    THR  25           H        THR  25  20.368  31.791  -3.277
  199    HA   THR  25           HA       THR  25  23.226  32.071  -3.268
  200    HB   THR  25           HB       THR  25  21.319  30.018  -3.721
  201    HG1  THR  25           HG1      THR  25  23.308  28.772  -3.760
  202   1HG2  THR  25          1HG2      THR  25  21.467  30.507  -6.163
  203   2HG2  THR  25          2HG2      THR  25  23.230  30.273  -6.085
  204   3HG2  THR  25          3HG2      THR  25  22.135  28.913  -5.753
  205    H    ARG  26           H        ARG  26  20.661  32.867  -5.580
  206    HA   ARG  26           HA       ARG  26  22.536  34.479  -7.126
  207   1HB   ARG  26          2HB       ARG  26  22.858  32.227  -8.129
  208   2HB   ARG  26          1HB       ARG  26  21.108  32.110  -8.418
  209   1HG   ARG  26          1HG       ARG  26  21.195  34.083  -9.893
  210   2HG   ARG  26          2HG       ARG  26  22.928  34.283  -9.551
  211   1HD   ARG  26          2HD       ARG  26  23.367  32.035 -10.529
  212   2HD   ARG  26          1HD       ARG  26  21.634  31.858 -10.876
  213    HE   ARG  26           HE       ARG  26  21.860  33.249 -12.713
  214   1HH1  ARG  26          2HH1      ARG  26  24.699  33.585 -10.616
  215   2HH1  ARG  26          1HH1      ARG  26  25.622  34.498 -11.784
  216   1HH2  ARG  26          1HH2      ARG  26  23.082  34.471 -14.244
  217   2HH2  ARG  26          2HH2      ARG  26  24.691  35.025 -13.843
  218    H    PHE  27           H        PHE  27  21.388  36.332  -7.157
  219    HA   PHE  27           HA       PHE  27  18.479  36.305  -7.098
  220   1HB   PHE  27          1HB       PHE  27  18.670  38.707  -6.995
  221   2HB   PHE  27          2HB       PHE  27  19.860  37.992  -5.899
  222    HD1  PHE  27           HD1      PHE  27  22.290  38.048  -6.461
  223    HD2  PHE  27           HD2      PHE  27  19.342  40.007  -8.918
  224    HE1  PHE  27           HE1      PHE  27  24.083  39.366  -7.563
  225    HE2  PHE  27           HE2      PHE  27  21.136  41.326 -10.017
  226    HZ   PHE  27           HZ       PHE  27  23.508  41.005  -9.342
  227    H    VAL  28           H        VAL  28  17.084  36.647  -8.778
  228    HA   VAL  28           HA       VAL  28  18.301  36.919 -11.493
  229    HB   VAL  28           HB       VAL  28  15.698  35.589 -10.629
  230   1HG1  VAL  28          2HG1      VAL  28  17.057  35.881 -13.346
  231   2HG1  VAL  28          3HG1      VAL  28  15.686  34.795 -13.020
  232   3HG1  VAL  28          1HG1      VAL  28  15.481  36.553 -12.869
  233   1HG2  VAL  28          3HG2      VAL  28  17.860  34.378 -10.045
  234   2HG2  VAL  28          1HG2      VAL  28  16.809  33.494 -11.173
  235   3HG2  VAL  28          2HG2      VAL  28  18.242  34.355 -11.778
  236    H    ALA  29           H        ALA  29  18.359  39.200 -11.258
  237    HA   ALA  29           HA       ALA  29  17.583  41.316 -11.515
  238   1HB   ALA  29          2HB       ALA  29  16.521  40.213 -13.524
  239   2HB   ALA  29          1HB       ALA  29  15.030  40.043 -12.569
  240   3HB   ALA  29          3HB       ALA  29  15.667  41.661 -12.939
  241    H    GLU  30           H        GLU  30  16.691  39.494  -9.100
  242    HA   GLU  30           HA       GLU  30  15.751  39.899  -7.062
  243   1HB   GLU  30          1HB       GLU  30  16.196  42.500  -8.104
  244   2HB   GLU  30          2HB       GLU  30  14.545  42.516  -7.460
  245   1HG   GLU  30          1HG       GLU  30  16.102  43.130  -5.684
  246   2HG   GLU  30          2HG       GLU  30  15.397  41.542  -5.320
  247    H    GLU  31           H        GLU  31  13.653  41.411  -9.577
  248    HA   GLU  31           HA       GLU  31  11.186  41.153  -8.422
  249   1HB   GLU  31          1HB       GLU  31  11.745  42.194 -10.638
  250   2HB   GLU  31          2HB       GLU  31  11.832  40.563 -11.341
  251   1HG   GLU  31          1HG       GLU  31   9.621  41.492 -11.777
  252   2HG   GLU  31          2HG       GLU  31   9.459  40.170 -10.603
  253    H    THR  32           H        THR  32  12.897  38.540 -10.276
  254    HA   THR  32           HA       THR  32  10.772  36.674 -10.192
  255    HB   THR  32           HB       THR  32  13.762  36.128 -10.119
  256    HG1  THR  32           HG1      THR  32  11.991  36.648 -12.275
  257   1HG2  THR  32          3HG2      THR  32  11.377  34.537 -11.159
  258   2HG2  THR  32          1HG2      THR  32  13.080  34.098 -11.427
  259   3HG2  THR  32          2HG2      THR  32  12.416  34.109  -9.777
  260    H    ARG  33           H        ARG  33  13.367  37.402  -7.826
  261    HA   ARG  33           HA       ARG  33  12.732  35.181  -6.100
  262   1HB   ARG  33          1HB       ARG  33  14.187  37.782  -5.448
  263   2HB   ARG  33          2HB       ARG  33  14.270  36.256  -4.541
  264   1HG   ARG  33          1HG       ARG  33  15.376  36.868  -7.312
  265   2HG   ARG  33          2HG       ARG  33  16.241  36.255  -5.884
  266   1HD   ARG  33          2HD       ARG  33  14.703  34.200  -6.044
  267   2HD   ARG  33          1HD       ARG  33  14.256  34.786  -7.655
  268    HE   ARG  33           HE       ARG  33  17.131  34.591  -7.300
  269   1HH1  ARG  33          1HH2      ARG  33  14.149  32.840  -8.089
  270   2HH1  ARG  33          2HH2      ARG  33  14.962  31.581  -8.985
  271   1HH2  ARG  33          1HH1      ARG  33  18.205  32.870  -8.412
  272   2HH2  ARG  33          2HH1      ARG  33  17.267  31.595  -9.168
  273    H    ASN  34           H        ASN  34  11.792  38.637  -6.229
  274    HA   ASN  34           HA       ASN  34  10.326  38.668  -3.784
  275   1HB   ASN  34          2HB       ASN  34  10.203  40.276  -6.351
  276   2HB   ASN  34          1HB       ASN  34   9.052  40.559  -5.031
  277   1HD2  ASN  34          1HD2      ASN  34  13.037  41.611  -4.610
  278   2HD2  ASN  34          2HD2      ASN  34  12.543  40.484  -5.855
  279    H    ALA  35           H        ALA  35   9.452  37.748  -7.142
  280    HA   ALA  35           HA       ALA  35   6.665  37.411  -6.715
  281   1HB   ALA  35          3HB       ALA  35   7.751  37.501  -8.941
  282   2HB   ALA  35          2HB       ALA  35   8.523  35.929  -8.624
  283   3HB   ALA  35          1HB       ALA  35   6.753  36.039  -8.755
  284    H    VAL  36           H        VAL  36   9.362  34.982  -6.605
  285    HA   VAL  36           HA       VAL  36   7.810  32.765  -5.837
  286    HB   VAL  36           HB       VAL  36  10.694  33.540  -5.234
  287   1HG1  VAL  36          1HG1      VAL  36   9.177  30.952  -4.682
  288   2HG1  VAL  36          3HG1      VAL  36  10.953  31.044  -4.773
  289   3HG1  VAL  36          2HG1      VAL  36  10.080  31.954  -3.518
  290   1HG2  VAL  36          2HG2      VAL  36  10.017  33.159  -7.622
  291   2HG2  VAL  36          3HG2      VAL  36  11.183  31.954  -7.034
  292   3HG2  VAL  36          1HG2      VAL  36   9.460  31.533  -7.172
  293    H    TRP  37           H        TRP  37   9.522  35.174  -3.723
  294    HA   TRP  37           HA       TRP  37   8.712  34.030  -1.264
  295   1HB   TRP  37          2HB       TRP  37   9.474  36.826  -2.111
  296   2HB   TRP  37          1HB       TRP  37   8.999  36.467  -0.446
  297    HD1  TRP  37           HD1      TRP  37  11.974  37.082  -2.128
  298    HE1  TRP  37           HE1      TRP  37  14.036  35.843  -1.210
  299    HE3  TRP  37           HE3      TRP  37   9.596  33.452   0.608
  300    HZ2  TRP  37           HZ2      TRP  37  14.573  33.590   0.463
  301    HZ3  TRP  37           HZ3      TRP  37  10.933  31.769   1.840
  302    HH2  TRP  37           HH2      TRP  37  13.412  31.824   1.761
  303    H    ALA  38           H        ALA  38   7.074  36.414  -3.389
  304    HA   ALA  38           HA       ALA  38   4.940  37.003  -1.593
  305   1HB   ALA  38          2HB       ALA  38   5.474  38.356  -3.594
  306   2HB   ALA  38          1HB       ALA  38   4.982  37.005  -4.641
  307   3HB   ALA  38          3HB       ALA  38   3.779  37.815  -3.611
  308    H    ALA  39           H        ALA  39   5.225  34.607  -4.277
  309    HA   ALA  39           HA       ALA  39   2.658  33.481  -4.056
  310   1HB   ALA  39          1HB       ALA  39   4.256  33.062  -5.906
  311   2HB   ALA  39          3HB       ALA  39   5.279  32.117  -4.800
  312   3HB   ALA  39          2HB       ALA  39   3.644  31.544  -5.205
  313    H    ILE  40           H        ILE  40   5.691  32.701  -2.275
  314    HA   ILE  40           HA       ILE  40   4.691  30.418  -0.914
  315    HB   ILE  40           HB       ILE  40   6.890  32.424  -0.327
  316   1HG1  ILE  40          2HG1      ILE  40   7.121  29.451  -0.865
  317   2HG1  ILE  40          1HG1      ILE  40   6.925  30.595  -2.208
  318   1HG2  ILE  40          3HG2      ILE  40   6.041  29.982   1.296
  319   2HG2  ILE  40          2HG2      ILE  40   7.636  30.755   1.441
  320   3HG2  ILE  40          1HG2      ILE  40   6.170  31.664   1.865
  321   1HD1  ILE  40          1HD1      ILE  40   8.926  31.841  -1.415
  322   2HD1  ILE  40          2HD1      ILE  40   9.135  30.659  -0.104
  323   3HD1  ILE  40          3HD1      ILE  40   9.313  30.150  -1.797
  324    H    LYS  41           H        LYS  41   4.375  33.898  -0.256
  325    HA   LYS  41           HA       LYS  41   3.321  33.458   2.430
  326   1HB   LYS  41          2HB       LYS  41   4.722  35.408   1.876
  327   2HB   LYS  41          1HB       LYS  41   3.537  35.931   0.662
  328   1HG   LYS  41          1HG       LYS  41   1.845  36.297   2.388
  329   2HG   LYS  41          2HG       LYS  41   2.897  35.571   3.622
  330   1HD   LYS  41          1HD       LYS  41   3.405  37.777   4.033
  331   2HD   LYS  41          2HD       LYS  41   4.583  37.494   2.731
  332   1HE   LYS  41          2HE       LYS  41   1.774  38.648   2.371
  333   2HE   LYS  41          1HE       LYS  41   3.281  39.589   2.386
  334   1HZ   LYS  41          2HZ       LYS  41   3.974  38.180   0.488
  335   2HZ   LYS  41          1HZ       LYS  41   2.430  37.595   0.409
  336   3HZ   LYS  41          3HZ       LYS  41   2.721  39.204   0.174
  337    H    GLU  42           H        GLU  42   2.072  34.166  -0.842
  338    HA   GLU  42           HA       GLU  42  -0.599  34.750   0.104
  339   1HB   GLU  42          2HB       GLU  42   0.827  34.584  -2.521
  340   2HB   GLU  42          1HB       GLU  42  -0.934  34.343  -2.544
  341   1HG   GLU  42          1HG       GLU  42  -0.399  36.719  -2.863
  342   2HG   GLU  42          2HG       GLU  42  -1.247  36.479  -1.323
  343    H    LEU  43           H        LEU  43   0.939  31.955  -1.585
  344    HA   LEU  43           HA       LEU  43  -1.550  30.452  -1.606
  345   1HB   LEU  43          2HB       LEU  43   1.324  29.586  -2.135
  346   2HB   LEU  43          1HB       LEU  43  -0.131  28.640  -2.512
  347    HG   LEU  43           HG       LEU  43   0.461  31.414  -3.656
  348   1HD1  LEU  43          2HD1      LEU  43   2.087  29.713  -4.437
  349   2HD1  LEU  43          3HD1      LEU  43   0.739  28.656  -4.924
  350   3HD1  LEU  43          1HD1      LEU  43   0.991  30.215  -5.746
  351   1HD2  LEU  43          3HD2      LEU  43  -1.679  29.310  -4.190
  352   2HD2  LEU  43          2HD2      LEU  43  -1.916  30.993  -3.660
  353   3HD2  LEU  43          1HD2      LEU  43  -1.338  30.654  -5.304
  354    H    HIS  44           H        HIS  44   1.241  30.749   0.540
  355    HA   HIS  44           HA       HIS  44   1.591  29.972   2.663
  356   1HB   HIS  44          2HB       HIS  44  -0.974  28.391   2.641
  357   2HB   HIS  44          1HB       HIS  44  -0.124  29.120   4.005
  358    HD1  HIS  44           HD1      HIS  44   0.141  32.066   3.013
  359    HD2  HIS  44           HD2      HIS  44  -3.355  29.779   2.699
  360    HE1  HIS  44           HE1      HIS  44  -1.826  33.672   2.857
  361    H    TYR  45           H        TYR  45   3.087  28.483   2.985
  362    HA   TYR  45           HA       TYR  45   2.915  25.869   1.533
  363   1HB   TYR  45          2HB       TYR  45   5.168  27.607   2.584
  364   2HB   TYR  45          1HB       TYR  45   5.421  25.883   2.297
  365    HD1  TYR  45           HD2      TYR  45   3.299  28.082   0.121
  366    HD2  TYR  45           HD1      TYR  45   7.051  26.030   0.609
  367    HE1  TYR  45           HE2      TYR  45   3.863  28.553  -2.241
  368    HE2  TYR  45           HE1      TYR  45   7.627  26.552  -1.732
  369    HH   TYR  45           HH       TYR  45   5.451  28.401  -3.876
  370    H    SER  46           H        SER  46   4.326  24.170   2.876
  371    HA   SER  46           HA       SER  46   4.034  24.390   5.776
  372   1HB   SER  46          1HB       SER  46   2.751  22.154   5.811
  373   2HB   SER  46          2HB       SER  46   1.822  23.608   5.377
  374    HG   SER  46           HG       SER  46   1.973  23.038   3.229
  375    HA   PRO  47           HA       PRO  47   7.573  21.959   3.981
  376   1HB   PRO  47          1HB       PRO  47   9.526  23.475   5.390
  377   2HB   PRO  47          2HB       PRO  47   9.117  23.594   3.658
  378   1HG   PRO  47          1HG       PRO  47   8.519  25.484   5.805
  379   2HG   PRO  47          2HG       PRO  47   8.263  25.669   4.045
  380   1HD   PRO  47          1HD       PRO  47   6.293  25.106   6.110
  381   2HD   PRO  47          2HD       PRO  47   6.038  25.362   4.361
  382    H    SER  48           H        SER  48   6.653  20.283   5.342
  383    HA   SER  48           HA       SER  48   6.629  18.819   7.100
  384   1HB   SER  48          2HB       SER  48   9.070  18.782   6.447
  385   2HB   SER  48          1HB       SER  48   9.377  19.966   7.739
  386    HG   SER  48           HG       SER  48   8.443  18.447   9.201
  387    H    ALA  49           H        ALA  49   5.525  21.533   7.520
  388    HA   ALA  49           HA       ALA  49   5.126  21.387  10.371
  389   1HB   ALA  49          2HB       ALA  49   6.742  23.721   9.244
  390   2HB   ALA  49          3HB       ALA  49   6.056  23.644  10.885
  391   3HB   ALA  49          1HB       ALA  49   7.329  22.500  10.399
  392    H    VAL  50           H        VAL  50   3.676  23.269  11.069
  393    HA   VAL  50           HA       VAL  50   2.306  24.677   8.899
  394    HB   VAL  50           HB       VAL  50   1.257  22.390   8.934
  395   1HG1  VAL  50          1HG1      VAL  50   1.595  22.008  11.408
  396   2HG1  VAL  50          3HG1      VAL  50   0.298  23.188  11.720
  397   3HG1  VAL  50          2HG1      VAL  50  -0.061  21.680  10.849
  398   1HG2  VAL  50          2HG2      VAL  50  -0.011  24.450   8.279
  399   2HG2  VAL  50          3HG2      VAL  50  -1.047  23.190   8.988
  400   3HG2  VAL  50          1HG2      VAL  50  -0.574  24.602   9.960
  401    H    ALA  51           H        ALA  51   1.148  26.477   9.665
  402    HA   ALA  51           HA       ALA  51   2.005  27.484  12.222
  403   1HB   ALA  51          1HB       ALA  51  -0.087  28.483  10.240
  404   2HB   ALA  51          3HB       ALA  51   0.533  29.406  11.630
  405   3HB   ALA  51          2HB       ALA  51   1.626  28.959  10.301
  406    H    ARG  52           H        ARG  52  -1.304  26.791  10.931
  407    HA   ARG  52           HA       ARG  52  -2.088  25.493  13.414
  408   1HB   ARG  52          1HB       ARG  52  -2.231  27.944  13.983
  409   2HB   ARG  52          2HB       ARG  52  -3.405  28.142  12.662
  410   1HG   ARG  52          1HG       ARG  52  -4.901  26.485  13.751
  411   2HG   ARG  52          2HG       ARG  52  -3.718  26.278  15.063
  412   1HD   ARG  52          1HD       ARG  52  -3.945  28.656  15.664
  413   2HD   ARG  52          2HD       ARG  52  -5.083  28.905  14.327
  414    HE   ARG  52           HE       ARG  52  -5.643  27.724  16.925
  415   1HH1  ARG  52          2HH1      ARG  52  -6.661  27.948  13.521
  416   2HH1  ARG  52          1HH1      ARG  52  -8.269  27.328  13.841
  417   1HH2  ARG  52          1HH2      ARG  52  -7.775  26.950  17.317
  418   2HH2  ARG  52          2HH2      ARG  52  -8.924  26.828  16.005
  419    H    SER  53           H        SER  53  -2.316  23.872  11.691
  420    HA   SER  53           HA       SER  53  -3.524  22.641  10.198
  421   1HB   SER  53          2HB       SER  53  -5.815  24.247  11.413
  422   2HB   SER  53          1HB       SER  53  -6.009  22.791  10.411
  423    HG   SER  53           HG       SER  53  -4.731  21.677  11.962
  424    H    LEU  54           H        LEU  54  -5.943  25.173   9.731
  425    HA   LEU  54           HA       LEU  54  -4.631  26.394   7.458
  426   1HB   LEU  54          1HB       LEU  54  -6.274  25.570   5.773
  427   2HB   LEU  54          2HB       LEU  54  -5.234  24.272   6.395
  428    HG   LEU  54           HG       LEU  54  -7.623  24.550   8.061
  429   1HD1  LEU  54          3HD1      LEU  54  -8.059  24.001   5.091
  430   2HD1  LEU  54          2HD1      LEU  54  -9.276  23.803   6.375
  431   3HD1  LEU  54          1HD1      LEU  54  -8.651  25.423   5.985
  432   1HD2  LEU  54          1HD2      LEU  54  -6.126  22.565   7.929
  433   2HD2  LEU  54          3HD2      LEU  54  -7.813  22.146   7.552
  434   3HD2  LEU  54          2HD2      LEU  54  -6.624  22.314   6.241
  435    H    LYS  55           H        LYS  55  -6.207  27.890   6.316
  436    HA   LYS  55           HA       LYS  55  -7.830  29.492   6.305
  437   1HB   LYS  55          1HB       LYS  55  -9.321  27.564   7.175
  438   2HB   LYS  55          2HB       LYS  55  -9.111  28.300   8.780
  439   1HG   LYS  55          1HG       LYS  55 -10.042  30.414   7.993
  440   2HG   LYS  55          2HG       LYS  55 -10.089  29.813   6.323
  441   1HD   LYS  55          1HD       LYS  55 -12.333  29.706   7.374
  442   2HD   LYS  55          2HD       LYS  55 -11.733  28.088   6.950
  443   1HE   LYS  55          1HE       LYS  55 -12.796  28.200   9.225
  444   2HE   LYS  55          2HE       LYS  55 -11.113  27.642   9.262
  445   1HZ   LYS  55          3HZ       LYS  55 -11.992  30.392   9.808
  446   2HZ   LYS  55          2HZ       LYS  55 -11.606  29.274  10.956
  447   3HZ   LYS  55          1HZ       LYS  55 -10.449  29.823   9.916
  448    H    VAL  56           H        VAL  56  -7.157  28.715   9.793
  449    HA   VAL  56           HA       VAL  56  -5.767  31.259  10.114
  450    HB   VAL  56           HB       VAL  56  -8.231  31.857  10.234
  451   1HG1  VAL  56          1HG1      VAL  56  -8.887  29.662  11.353
  452   2HG1  VAL  56          2HG1      VAL  56  -8.170  30.298  12.853
  453   3HG1  VAL  56          3HG1      VAL  56  -9.559  31.124  12.108
  454   1HG2  VAL  56          1HG2      VAL  56  -6.449  33.178  11.377
  455   2HG2  VAL  56          2HG2      VAL  56  -7.992  33.213  12.263
  456   3HG2  VAL  56          3HG2      VAL  56  -6.663  32.175  12.831
   
  No H/Q in entry =         456
  Start of MODEL          19
 Raw file had  466 H/Q atoms
  Start of MODEL   19
    1   1H    MET   1          2H        MET   1   7.445  17.963   3.834
    2   2H    MET   1          1H        MET   1   8.422  16.782   3.224
    3   3H    MET   1          3H        MET   1   8.690  18.360   2.832
    4    HA   MET   1           HA       MET   1   7.706  17.407   0.977
    5   1HB   MET   1          2HB       MET   1   5.571  16.192   1.112
    6   2HB   MET   1          1HB       MET   1   6.822  15.404   2.091
    7   1HG   MET   1          2HG       MET   1   5.031  15.372   3.563
    8   2HG   MET   1          1HG       MET   1   5.839  16.863   4.050
    9   1HE   MET   1          3HE       MET   1   2.778  15.153   2.498
   10   2HE   MET   1          2HE       MET   1   1.842  16.478   1.769
   11   3HE   MET   1          1HE       MET   1   3.371  15.957   1.029
   12    H    ALA   2           H        ALA   2   5.905  18.344  -0.261
   13    HA   ALA   2           HA       ALA   2   4.616  20.112  -0.899
   14   1HB   ALA   2          3HB       ALA   2   3.120  19.284   0.905
   15   2HB   ALA   2          2HB       ALA   2   3.944  20.356   2.063
   16   3HB   ALA   2          1HB       ALA   2   3.027  21.047   0.711
   17    H    THR   3           H        THR   3   4.176  22.614  -0.360
   18    HA   THR   3           HA       THR   3   4.977  24.705   0.104
   19    HB   THR   3           HB       THR   3   6.248  23.189   2.122
   20    HG1  THR   3           HG1      THR   3   6.331  25.247   3.077
   21   1HG2  THR   3          1HG2      THR   3   8.387  23.412   0.823
   22   2HG2  THR   3          3HG2      THR   3   8.195  25.181   0.881
   23   3HG2  THR   3          2HG2      THR   3   8.426  24.259   2.382
   24    H    ILE   4           H        ILE   4   7.097  22.237  -1.266
   25    HA   ILE   4           HA       ILE   4   8.333  24.332  -3.000
   26    HB   ILE   4           HB       ILE   4   9.507  21.984  -1.507
   27   1HG1  ILE   4          1HG1      ILE   4  10.890  24.593  -2.104
   28   2HG1  ILE   4          2HG1      ILE   4   9.547  24.598  -0.940
   29   1HG2  ILE   4          3HG2      ILE   4  10.537  23.194  -4.109
   30   2HG2  ILE   4          1HG2      ILE   4  11.560  22.273  -2.983
   31   3HG2  ILE   4          2HG2      ILE   4  10.180  21.482  -3.770
   32   1HD1  ILE   4          1HD1      ILE   4  10.681  22.667   0.239
   33   2HD1  ILE   4          2HD1      ILE   4  12.090  22.935  -0.812
   34   3HD1  ILE   4          3HD1      ILE   4  11.568  24.208   0.314
   35    H    LYS   5           H        LYS   5   7.151  20.950  -2.701
   36    HA   LYS   5           HA       LYS   5   7.811  19.976  -5.214
   37   1HB   LYS   5          1HB       LYS   5   6.883  18.456  -3.672
   38   2HB   LYS   5          2HB       LYS   5   5.463  19.474  -3.368
   39   1HG   LYS   5          1HG       LYS   5   4.614  19.029  -5.640
   40   2HG   LYS   5          2HG       LYS   5   6.078  18.096  -6.020
   41   1HD   LYS   5          1HD       LYS   5   4.560  16.401  -5.453
   42   2HD   LYS   5          2HD       LYS   5   5.400  16.670  -3.911
   43   1HE   LYS   5          1HE       LYS   5   3.045  16.600  -3.416
   44   2HE   LYS   5          2HE       LYS   5   3.535  18.301  -3.301
   45   1HZ   LYS   5          2HZ       LYS   5   2.236  17.057  -5.628
   46   2HZ   LYS   5          1HZ       LYS   5   1.493  18.022  -4.517
   47   3HZ   LYS   5          3HZ       LYS   5   2.662  18.648  -5.500
   48    H    ASP   6           H        ASP   6   4.684  21.691  -4.408
   49    HA   ASP   6           HA       ASP   6   4.008  21.643  -7.265
   50   1HB   ASP   6          1HB       ASP   6   2.655  22.947  -4.878
   51   2HB   ASP   6          2HB       ASP   6   1.994  22.907  -6.522
   52    H    VAL   7           H        VAL   7   5.083  24.111  -4.891
   53    HA   VAL   7           HA       VAL   7   4.837  26.383  -6.536
   54    HB   VAL   7           HB       VAL   7   6.670  25.638  -4.239
   55   1HG1  VAL   7          3HG1      VAL   7   6.505  28.288  -5.748
   56   2HG1  VAL   7          1HG1      VAL   7   7.267  28.081  -4.154
   57   3HG1  VAL   7          2HG1      VAL   7   7.941  27.250  -5.569
   58   1HG2  VAL   7          2HG2      VAL   7   4.147  26.060  -3.990
   59   2HG2  VAL   7          3HG2      VAL   7   5.211  27.054  -2.970
   60   3HG2  VAL   7          1HG2      VAL   7   4.485  27.747  -4.440
   61    H    ALA   8           H        ALA   8   7.351  23.880  -6.392
   62    HA   ALA   8           HA       ALA   8   9.452  25.118  -7.742
   63   1HB   ALA   8          2HB       ALA   8   8.436  22.265  -7.622
   64   2HB   ALA   8          3HB       ALA   8   9.908  22.691  -8.505
   65   3HB   ALA   8          1HB       ALA   8   9.811  22.992  -6.762
   66    H    LYS   9           H        LYS   9   7.091  22.864  -9.297
   67    HA   LYS   9           HA       LYS   9   7.861  23.741 -11.956
   68   1HB   LYS   9          1HB       LYS   9   5.754  21.927 -10.751
   69   2HB   LYS   9          2HB       LYS   9   5.610  22.413 -12.453
   70   1HG   LYS   9          1HG       LYS   9   8.360  21.624 -11.851
   71   2HG   LYS   9          2HG       LYS   9   7.227  20.338 -11.387
   72   1HD   LYS   9          1HD       LYS   9   7.866  19.995 -13.715
   73   2HD   LYS   9          2HD       LYS   9   6.164  20.500 -13.657
   74   1HE   LYS   9          1HE       LYS   9   7.153  21.781 -15.415
   75   2HE   LYS   9          2HE       LYS   9   7.005  22.900 -14.048
   76   1HZ   LYS   9          2HZ       LYS   9   9.338  22.327 -13.531
   77   2HZ   LYS   9          3HZ       LYS   9   9.420  21.522 -14.970
   78   3HZ   LYS   9          1HZ       LYS   9   9.126  23.148 -14.945
   79    H    ARG  10           H        ARG  10   5.205  24.591  -9.689
   80    HA   ARG  10           HA       ARG  10   3.569  26.011 -11.487
   81   1HB   ARG  10          1HB       ARG  10   2.927  25.517  -9.164
   82   2HB   ARG  10          2HB       ARG  10   4.213  26.586  -8.567
   83   1HG   ARG  10          1HG       ARG  10   2.018  27.717  -8.519
   84   2HG   ARG  10          2HG       ARG  10   3.126  28.528  -9.643
   85   1HD   ARG  10          2HD       ARG  10   2.032  27.621 -11.553
   86   2HD   ARG  10          1HD       ARG  10   1.195  26.383 -10.595
   87    HE   ARG  10           HE       ARG  10   0.384  29.156 -11.018
   88   1HH1  ARG  10          1HH2      ARG  10   0.138  26.331  -8.891
   89   2HH1  ARG  10          2HH2      ARG  10  -1.399  26.808  -8.210
   90   1HH2  ARG  10          1HH1      ARG  10  -1.627  29.799 -10.085
   91   2HH2  ARG  10          2HH1      ARG  10  -2.406  28.787  -8.892
   92    H    ALA  11           H        ALA  11   6.543  26.992  -9.734
   93    HA   ALA  11           HA       ALA  11   6.510  29.707 -10.677
   94   1HB   ALA  11          2HB       ALA  11   8.811  27.961  -9.693
   95   2HB   ALA  11          1HB       ALA  11   8.862  29.726  -9.904
   96   3HB   ALA  11          3HB       ALA  11   7.784  29.009  -8.685
   97    H    ASN  12           H        ASN  12   8.649  26.894 -11.607
   98    HA   ASN  12           HA       ASN  12   8.171  27.183 -14.380
   99   1HB   ASN  12          1HB       ASN  12  10.594  28.108 -14.873
  100   2HB   ASN  12          2HB       ASN  12   9.224  29.201 -14.637
  101   1HD2  ASN  12          1HD2      ASN  12  10.580  30.819 -11.825
  102   2HD2  ASN  12          2HD2      ASN  12   9.239  30.659 -12.942
  103    H    VAL  13           H        VAL  13  11.502  26.929 -13.098
  104    HA   VAL  13           HA       VAL  13  11.879  24.469 -14.511
  105    HB   VAL  13           HB       VAL  13  13.630  25.849 -12.428
  106   1HG1  VAL  13          1HG1      VAL  13  14.214  23.692 -14.507
  107   2HG1  VAL  13          3HG1      VAL  13  15.459  24.572 -13.590
  108   3HG1  VAL  13          2HG1      VAL  13  14.312  23.515 -12.740
  109   1HG2  VAL  13          1HG2      VAL  13  13.527  26.002 -15.473
  110   2HG2  VAL  13          2HG2      VAL  13  13.156  27.316 -14.331
  111   3HG2  VAL  13          3HG2      VAL  13  14.818  26.700 -14.467
  112    H    SER  14           H        SER  14  12.834  24.753 -11.059
  113    HA   SER  14           HA       SER  14  10.998  22.629 -10.275
  114   1HB   SER  14          2HB       SER  14  12.883  21.482 -11.554
  115   2HB   SER  14          1HB       SER  14  13.983  22.033 -10.268
  116    HG   SER  14           HG       SER  14  13.105  19.913  -9.924
  117    H    THR  15           H        THR  15  12.634  21.714  -8.084
  118    HA   THR  15           HA       THR  15  11.985  23.594  -6.097
  119    HB   THR  15           HB       THR  15  13.298  22.196  -4.605
  120    HG1  THR  15           HG1      THR  15  15.174  21.958  -5.769
  121   1HG2  THR  15          2HG2      THR  15  11.168  21.287  -5.793
  122   2HG2  THR  15          3HG2      THR  15  12.290  20.298  -6.754
  123   3HG2  THR  15          1HG2      THR  15  12.230  20.110  -4.988
  124    H    THR  16           H        THR  16  14.855  23.287  -8.137
  125    HA   THR  16           HA       THR  16  16.757  24.756  -6.748
  126    HB   THR  16           HB       THR  16  17.491  25.465  -9.110
  127    HG1  THR  16           HG1      THR  16  16.324  24.471 -10.776
  128   1HG2  THR  16          2HG2      THR  16  18.298  23.406  -7.975
  129   2HG2  THR  16          1HG2      THR  16  16.883  22.517  -8.590
  130   3HG2  THR  16          3HG2      THR  16  18.101  23.148  -9.724
  131    H    THR  17           H        THR  17  14.054  25.972  -8.798
  132    HA   THR  17           HA       THR  17  14.675  28.699  -8.781
  133    HB   THR  17           HB       THR  17  11.887  27.485  -8.570
  134    HG1  THR  17           HG1      THR  17  12.274  27.701 -11.001
  135   1HG2  THR  17          2HG2      THR  17  12.971  29.993  -9.937
  136   2HG2  THR  17          1HG2      THR  17  11.284  29.433  -9.983
  137   3HG2  THR  17          3HG2      THR  17  12.000  29.959  -8.446
  138    H    VAL  18           H        VAL  18  13.132  26.703  -6.241
  139    HA   VAL  18           HA       VAL  18  12.534  29.037  -4.587
  140    HB   VAL  18           HB       VAL  18  12.499  26.071  -3.869
  141   1HG1  VAL  18          1HG1      VAL  18  11.229  28.562  -2.645
  142   2HG1  VAL  18          2HG1      VAL  18  10.826  26.896  -2.169
  143   3HG1  VAL  18          3HG1      VAL  18  12.470  27.520  -1.907
  144   1HG2  VAL  18          2HG2      VAL  18  10.340  27.895  -5.021
  145   2HG2  VAL  18          3HG2      VAL  18  11.033  26.446  -5.790
  146   3HG2  VAL  18          1HG2      VAL  18  10.031  26.285  -4.329
  147    H    SER  19           H        SER  19  14.949  26.355  -4.645
  148    HA   SER  19           HA       SER  19  16.267  26.925  -2.231
  149   1HB   SER  19          2HB       SER  19  17.549  25.976  -4.825
  150   2HB   SER  19          1HB       SER  19  18.117  25.670  -3.166
  151    HG   SER  19           HG       SER  19  16.107  24.561  -2.824
  152    H    HIS  20           H        HIS  20  16.438  28.480  -5.407
  153    HA   HIS  20           HA       HIS  20  18.805  29.940  -5.144
  154   1HB   HIS  20          2HB       HIS  20  16.158  30.591  -6.489
  155   2HB   HIS  20          1HB       HIS  20  17.609  31.590  -6.672
  156    HD1  HIS  20           HD1      HIS  20  16.629  30.390  -9.260
  157    HD2  HIS  20           HD2      HIS  20  19.148  28.360  -6.629
  158    HE1  HIS  20           HE1      HIS  20  17.830  28.583 -10.599
  159    H    VAL  21           H        VAL  21  15.512  31.162  -4.501
  160    HA   VAL  21           HA       VAL  21  16.491  33.530  -3.303
  161    HB   VAL  21           HB       VAL  21  13.794  32.199  -2.810
  162   1HG1  VAL  21          2HG1      VAL  21  14.790  35.080  -2.762
  163   2HG1  VAL  21          1HG1      VAL  21  13.079  34.607  -2.656
  164   3HG1  VAL  21          3HG1      VAL  21  14.216  34.120  -1.379
  165   1HG2  VAL  21          1HG2      VAL  21  14.814  33.883  -5.137
  166   2HG2  VAL  21          2HG2      VAL  21  14.104  32.254  -5.205
  167   3HG2  VAL  21          3HG2      VAL  21  13.088  33.646  -4.787
  168    H    ILE  22           H        ILE  22  15.972  30.301  -1.960
  169    HA   ILE  22           HA       ILE  22  15.804  31.137   0.752
  170    HB   ILE  22           HB       ILE  22  16.703  28.515  -0.479
  171   1HG1  ILE  22          2HG1      ILE  22  14.260  29.472  -0.739
  172   2HG1  ILE  22          1HG1      ILE  22  14.482  27.784  -0.247
  173   1HG2  ILE  22          3HG2      ILE  22  16.153  29.312   2.407
  174   2HG2  ILE  22          2HG2      ILE  22  16.167  27.619   1.850
  175   3HG2  ILE  22          1HG2      ILE  22  17.640  28.604   1.736
  176   1HD1  ILE  22          3HD1      ILE  22  14.106  30.075   1.727
  177   2HD1  ILE  22          1HD1      ILE  22  12.773  29.080   1.104
  178   3HD1  ILE  22          2HD1      ILE  22  14.059  28.331   2.072
  179    H    ASN  23           H        ASN  23  18.639  29.991  -1.186
  180    HA   ASN  23           HA       ASN  23  20.411  31.722   0.319
  181   1HB   ASN  23          1HB       ASN  23  21.606  30.121   1.622
  182   2HB   ASN  23          2HB       ASN  23  19.894  29.830   1.969
  183   1HD2  ASN  23          1HD2      ASN  23  19.855  26.777  -0.150
  184   2HD2  ASN  23          2HD2      ASN  23  18.945  28.262  -0.009
  185    H    LYS  24           H        LYS  24  19.756  31.022  -2.506
  186    HA   LYS  24           HA       LYS  24  22.556  30.705  -3.385
  187   1HB   LYS  24          2HB       LYS  24  21.393  28.330  -2.975
  188   2HB   LYS  24          1HB       LYS  24  20.671  28.667  -4.561
  189   1HG   LYS  24          2HG       LYS  24  22.655  27.549  -5.139
  190   2HG   LYS  24          1HG       LYS  24  23.138  29.255  -5.273
  191   1HD   LYS  24          1HD       LYS  24  24.080  29.169  -2.977
  192   2HD   LYS  24          2HD       LYS  24  23.572  27.469  -2.830
  193   1HE   LYS  24          1HE       LYS  24  25.016  26.876  -4.758
  194   2HE   LYS  24          2HE       LYS  24  25.528  28.573  -4.897
  195   1HZ   LYS  24          3HZ       LYS  24  25.965  26.841  -2.564
  196   2HZ   LYS  24          2HZ       LYS  24  27.104  27.264  -3.679
  197   3HZ   LYS  24          1HZ       LYS  24  26.444  28.413  -2.697
  198    H    THR  25           H        THR  25  20.720  32.810  -3.578
  199    HA   THR  25           HA       THR  25  19.382  32.723  -6.148
  200    HB   THR  25           HB       THR  25  18.462  33.882  -4.209
  201    HG1  THR  25           HG1      THR  25  19.078  35.203  -6.571
  202   1HG2  THR  25          2HG2      THR  25  20.627  34.650  -3.212
  203   2HG2  THR  25          3HG2      THR  25  20.780  35.833  -4.529
  204   3HG2  THR  25          1HG2      THR  25  19.443  35.962  -3.367
  205    H    ARG  26           H        ARG  26  22.465  33.948  -4.903
  206    HA   ARG  26           HA       ARG  26  24.243  34.936  -5.963
  207   1HB   ARG  26          2HB       ARG  26  22.962  33.363  -8.229
  208   2HB   ARG  26          1HB       ARG  26  24.459  34.285  -8.469
  209   1HG   ARG  26          1HG       ARG  26  25.704  32.929  -7.059
  210   2HG   ARG  26          2HG       ARG  26  24.289  32.448  -6.093
  211   1HD   ARG  26          2HD       ARG  26  24.651  31.626  -8.997
  212   2HD   ARG  26          1HD       ARG  26  25.261  30.651  -7.640
  213    HE   ARG  26           HE       ARG  26  22.589  31.172  -7.028
  214   1HH1  ARG  26          2HH2      ARG  26  24.346  29.650  -9.709
  215   2HH1  ARG  26          1HH2      ARG  26  23.066  28.517 -10.072
  216   1HH2  ARG  26          2HH1      ARG  26  20.956  29.650  -7.462
  217   2HH2  ARG  26          1HH1      ARG  26  21.104  28.546  -8.816
  218    H    PHE  27           H        PHE  27  24.386  36.089  -8.659
  219    HA   PHE  27           HA       PHE  27  23.072  38.607  -8.032
  220   1HB   PHE  27          1HB       PHE  27  25.435  38.145  -9.061
  221   2HB   PHE  27          2HB       PHE  27  24.558  38.020 -10.593
  222    HD1  PHE  27           HD2      PHE  27  22.696  40.079 -10.844
  223    HD2  PHE  27           HD1      PHE  27  26.392  40.205  -8.617
  224    HE1  PHE  27           HE2      PHE  27  22.731  42.552 -11.032
  225    HE2  PHE  27           HE1      PHE  27  26.416  42.680  -8.811
  226    HZ   PHE  27           HZ       PHE  27  24.589  43.853 -10.018
  227    H    VAL  28           H        VAL  28  20.886  38.474  -8.290
  228    HA   VAL  28           HA       VAL  28  19.935  38.363 -11.084
  229    HB   VAL  28           HB       VAL  28  17.906  37.054 -10.356
  230   1HG1  VAL  28          3HG1      VAL  28  19.866  36.000 -11.538
  231   2HG1  VAL  28          2HG1      VAL  28  20.539  35.558  -9.950
  232   3HG1  VAL  28          1HG1      VAL  28  18.986  34.871 -10.481
  233   1HG2  VAL  28          2HG2      VAL  28  19.598  36.556  -7.869
  234   2HG2  VAL  28          1HG2      VAL  28  18.060  37.446  -7.937
  235   3HG2  VAL  28          3HG2      VAL  28  18.093  35.703  -8.281
  236    H    ALA  29           H        ALA  29  17.769  39.403 -11.254
  237    HA   ALA  29           HA       ALA  29  17.716  41.792  -9.625
  238   1HB   ALA  29          1HB       ALA  29  17.098  41.770 -12.025
  239   2HB   ALA  29          3HB       ALA  29  15.723  40.701 -11.662
  240   3HB   ALA  29          2HB       ALA  29  15.757  42.361 -11.017
  241    H    GLU  30           H        GLU  30  15.536  42.502  -8.644
  242    HA   GLU  30           HA       GLU  30  14.809  40.705  -6.544
  243   1HB   GLU  30          1HB       GLU  30  13.535  43.238  -7.649
  244   2HB   GLU  30          2HB       GLU  30  12.983  42.425  -6.166
  245   1HG   GLU  30          2HG       GLU  30  15.806  43.479  -6.647
  246   2HG   GLU  30          1HG       GLU  30  14.563  44.285  -5.669
  247    H    GLU  31           H        GLU  31  13.786  40.993  -9.826
  248    HA   GLU  31           HA       GLU  31  11.128  40.257  -9.833
  249   1HB   GLU  31          1HB       GLU  31  13.391  39.366 -11.669
  250   2HB   GLU  31          2HB       GLU  31  11.661  39.163 -12.033
  251   1HG   GLU  31          1HG       GLU  31  11.320  41.596 -11.913
  252   2HG   GLU  31          2HG       GLU  31  13.022  41.836 -11.464
  253    H    THR  32           H        THR  32  13.950  37.961  -9.829
  254    HA   THR  32           HA       THR  32  12.284  35.640  -9.655
  255    HB   THR  32           HB       THR  32  14.532  34.620  -8.814
  256    HG1  THR  32           HG1      THR  32  15.496  36.524  -8.124
  257   1HG2  THR  32          1HG2      THR  32  14.362  36.096 -11.480
  258   2HG2  THR  32          3HG2      THR  32  15.461  34.746 -11.110
  259   3HG2  THR  32          2HG2      THR  32  13.702  34.479 -11.138
  260    H    ARG  33           H        ARG  33  13.891  37.662  -7.159
  261    HA   ARG  33           HA       ARG  33  13.406  35.894  -4.986
  262   1HB   ARG  33          1HB       ARG  33  13.759  38.921  -5.025
  263   2HB   ARG  33          2HB       ARG  33  13.871  37.885  -3.583
  264   1HG   ARG  33          2HG       ARG  33  15.686  36.570  -4.822
  265   2HG   ARG  33          1HG       ARG  33  15.681  37.875  -6.033
  266   1HD   ARG  33          2HD       ARG  33  16.139  39.519  -4.197
  267   2HD   ARG  33          1HD       ARG  33  16.238  38.171  -3.052
  268    HE   ARG  33           HE       ARG  33  18.324  37.583  -3.895
  269   1HH1  ARG  33          2HH1      ARG  33  17.074  40.439  -5.593
  270   2HH1  ARG  33          1HH1      ARG  33  18.235  40.315  -6.907
  271   1HH2  ARG  33          2HH2      ARG  33  20.063  37.681  -5.436
  272   2HH2  ARG  33          1HH2      ARG  33  20.118  39.001  -6.580
  273    H    ASN  34           H        ASN  34  11.578  38.836  -6.043
  274    HA   ASN  34           HA       ASN  34   9.612  38.503  -3.979
  275   1HB   ASN  34          2HB       ASN  34   8.761  40.481  -4.730
  276   2HB   ASN  34          1HB       ASN  34  10.357  40.588  -5.502
  277   1HD2  ASN  34          1HD2      ASN  34   9.154  40.191  -8.824
  278   2HD2  ASN  34          2HD2      ASN  34  10.552  40.073  -7.770
  279    H    ALA  35           H        ALA  35   9.827  37.420  -7.393
  280    HA   ALA  35           HA       ALA  35   7.114  36.705  -7.746
  281   1HB   ALA  35          1HB       ALA  35   9.663  35.489  -8.880
  282   2HB   ALA  35          3HB       ALA  35   8.024  35.129  -9.471
  283   3HB   ALA  35          2HB       ALA  35   8.674  36.779  -9.604
  284    H    VAL  36           H        VAL  36   9.885  34.701  -6.558
  285    HA   VAL  36           HA       VAL  36   8.418  32.315  -6.199
  286    HB   VAL  36           HB       VAL  36  10.894  33.457  -4.859
  287   1HG1  VAL  36          3HG1      VAL  36   9.579  30.727  -4.529
  288   2HG1  VAL  36          2HG1      VAL  36  11.284  31.047  -4.131
  289   3HG1  VAL  36          1HG1      VAL  36   9.994  31.892  -3.250
  290   1HG2  VAL  36          3HG2      VAL  36  10.960  32.872  -7.300
  291   2HG2  VAL  36          2HG2      VAL  36  12.033  31.849  -6.320
  292   3HG2  VAL  36          1HG2      VAL  36  10.471  31.214  -6.885
  293    H    TRP  37           H        TRP  37   9.293  34.779  -3.672
  294    HA   TRP  37           HA       TRP  37   7.790  33.554  -1.613
  295   1HB   TRP  37          2HB       TRP  37   8.631  36.430  -2.061
  296   2HB   TRP  37          1HB       TRP  37   7.874  35.856  -0.570
  297    HD1  TRP  37           HD1      TRP  37  11.057  36.821  -1.537
  298    HE1  TRP  37           HE1      TRP  37  12.992  35.581  -0.377
  299    HE3  TRP  37           HE3      TRP  37   8.482  32.746   0.222
  300    HZ2  TRP  37           HZ2      TRP  37  13.376  33.145   1.074
  301    HZ3  TRP  37           HZ3      TRP  37   9.681  30.990   1.488
  302    HH2  TRP  37           HH2      TRP  37  12.114  31.183   1.911
  303    H    ALA  38           H        ALA  38   6.846  36.001  -4.056
  304    HA   ALA  38           HA       ALA  38   4.317  36.643  -2.948
  305   1HB   ALA  38          3HB       ALA  38   5.266  36.595  -5.842
  306   2HB   ALA  38          2HB       ALA  38   3.756  37.348  -5.282
  307   3HB   ALA  38          1HB       ALA  38   5.323  37.977  -4.722
  308    H    ALA  39           H        ALA  39   5.223  34.180  -5.438
  309    HA   ALA  39           HA       ALA  39   2.602  33.171  -5.827
  310   1HB   ALA  39          2HB       ALA  39   4.495  32.721  -7.334
  311   2HB   ALA  39          1HB       ALA  39   5.299  31.771  -6.062
  312   3HB   ALA  39          3HB       ALA  39   3.769  31.199  -6.767
  313    H    ILE  40           H        ILE  40   5.227  32.086  -3.596
  314    HA   ILE  40           HA       ILE  40   3.934  29.818  -2.551
  315    HB   ILE  40           HB       ILE  40   5.946  31.769  -1.366
  316   1HG1  ILE  40          2HG1      ILE  40   6.317  28.864  -2.175
  317   2HG1  ILE  40          1HG1      ILE  40   6.442  30.177  -3.365
  318   1HG2  ILE  40          3HG2      ILE  40   4.844  29.166  -0.208
  319   2HG2  ILE  40          1HG2      ILE  40   6.340  29.942   0.354
  320   3HG2  ILE  40          2HG2      ILE  40   4.789  30.782   0.537
  321   1HD1  ILE  40          2HD1      ILE  40   8.177  31.266  -1.927
  322   2HD1  ILE  40          1HD1      ILE  40   8.103  29.873  -0.827
  323   3HD1  ILE  40          3HD1      ILE  40   8.669  29.655  -2.496
  324    H    LYS  41           H        LYS  41   3.782  33.244  -1.399
  325    HA   LYS  41           HA       LYS  41   2.078  32.514   0.830
  326   1HB   LYS  41          2HB       LYS  41   3.715  34.403   0.869
  327   2HB   LYS  41          1HB       LYS  41   2.746  35.244  -0.363
  328   1HG   LYS  41          1HG       LYS  41   0.808  35.289   1.161
  329   2HG   LYS  41          2HG       LYS  41   1.727  34.375   2.382
  330   1HD   LYS  41          2HD       LYS  41   3.377  36.213   2.528
  331   2HD   LYS  41          1HD       LYS  41   2.478  37.124   1.288
  332   1HE   LYS  41          1HE       LYS  41   0.480  37.150   2.765
  333   2HE   LYS  41          2HE       LYS  41   1.389  36.260   4.006
  334   1HZ   LYS  41          3HZ       LYS  41   2.916  38.097   4.109
  335   2HZ   LYS  41          2HZ       LYS  41   2.063  38.925   2.963
  336   3HZ   LYS  41          1HZ       LYS  41   1.378  38.602   4.430
  337    H    GLU  42           H        GLU  42   1.645  34.000  -2.395
  338    HA   GLU  42           HA       GLU  42  -1.018  34.804  -2.097
  339   1HB   GLU  42          2HB       GLU  42   0.420  35.454  -3.988
  340   2HB   GLU  42          1HB       GLU  42   0.424  33.775  -4.577
  341   1HG   GLU  42          1HG       GLU  42  -2.033  33.875  -4.878
  342   2HG   GLU  42          2HG       GLU  42  -2.044  35.543  -4.269
  343    H    LEU  43           H        LEU  43   0.331  31.683  -3.262
  344    HA   LEU  43           HA       LEU  43  -2.347  30.523  -3.515
  345   1HB   LEU  43          2HB       LEU  43   0.432  29.298  -3.777
  346   2HB   LEU  43          1HB       LEU  43  -1.094  28.521  -4.250
  347    HG   LEU  43           HG       LEU  43  -0.137  31.181  -5.411
  348   1HD1  LEU  43          1HD1      LEU  43   0.148  28.354  -6.515
  349   2HD1  LEU  43          3HD1      LEU  43   0.534  29.852  -7.396
  350   3HD1  LEU  43          2HD1      LEU  43   1.475  29.398  -5.958
  351   1HD2  LEU  43          1HD2      LEU  43  -2.282  29.165  -6.215
  352   2HD2  LEU  43          2HD2      LEU  43  -2.544  30.826  -5.631
  353   3HD2  LEU  43          3HD2      LEU  43  -1.780  30.550  -7.211
  354    H    HIS  44           H        HIS  44   0.107  30.799  -1.026
  355    HA   HIS  44           HA       HIS  44   0.352  29.823   1.046
  356   1HB   HIS  44          2HB       HIS  44  -2.603  29.172   0.726
  357   2HB   HIS  44          1HB       HIS  44  -1.696  29.198   2.245
  358    HD1  HIS  44           HD1      HIS  44  -0.836  31.610   3.090
  359    HD2  HIS  44           HD2      HIS  44  -3.606  31.651  -0.049
  360    HE1  HIS  44           HE1      HIS  44  -1.788  33.963   2.933
  361    H    TYR  45           H        TYR  45   0.700  28.247  -1.454
  362    HA   TYR  45           HA       TYR  45   0.952  26.110  -2.225
  363   1HB   TYR  45          2HB       TYR  45   2.442  26.180  -0.140
  364   2HB   TYR  45          1HB       TYR  45   1.189  25.185   0.628
  365    HD1  TYR  45           HD2      TYR  45   0.656  22.922  -0.279
  366    HD2  TYR  45           HD1      TYR  45   3.840  25.312  -1.910
  367    HE1  TYR  45           HE2      TYR  45   1.527  20.942  -1.484
  368    HE2  TYR  45           HE1      TYR  45   4.729  23.323  -3.095
  369    HH   TYR  45           HH       TYR  45   2.930  20.389  -3.407
  370    H    SER  46           H        SER  46  -1.240  26.050  -3.012
  371    HA   SER  46           HA       SER  46  -3.104  24.418  -1.351
  372   1HB   SER  46          1HB       SER  46  -3.856  26.705  -2.032
  373   2HB   SER  46          2HB       SER  46  -3.701  26.210  -3.735
  374    HG   SER  46           HG       SER  46  -5.364  25.028  -1.754
  375    HA   PRO  47           HA       PRO  47  -1.815  21.428  -4.523
  376   1HB   PRO  47          1HB       PRO  47  -2.973  19.252  -3.118
  377   2HB   PRO  47          2HB       PRO  47  -1.260  19.762  -3.069
  378   1HG   PRO  47          2HG       PRO  47  -3.344  20.067  -1.014
  379   2HG   PRO  47          1HG       PRO  47  -1.579  20.303  -0.874
  380   1HD   PRO  47          1HD       PRO  47  -3.618  22.323  -1.031
  381   2HD   PRO  47          2HD       PRO  47  -1.847  22.558  -0.997
  382    H    SER  48           H        SER  48  -3.154  19.553  -5.619
  383    HA   SER  48           HA       SER  48  -5.417  20.648  -6.859
  384   1HB   SER  48          2HB       SER  48  -4.805  17.689  -6.471
  385   2HB   SER  48          1HB       SER  48  -5.744  18.433  -7.789
  386    HG   SER  48           HG       SER  48  -3.592  18.027  -8.421
  387    H    ALA  49           H        ALA  49  -5.157  18.656  -3.903
  388    HA   ALA  49           HA       ALA  49  -8.041  18.281  -3.680
  389   1HB   ALA  49          2HB       ALA  49  -5.755  17.810  -1.717
  390   2HB   ALA  49          3HB       ALA  49  -7.438  17.267  -1.498
  391   3HB   ALA  49          1HB       ALA  49  -6.454  16.604  -2.824
  392    H    VAL  50           H        VAL  50  -8.120  20.826  -4.038
  393    HA   VAL  50           HA       VAL  50  -7.476  22.589  -1.910
  394    HB   VAL  50           HB       VAL  50  -9.721  22.743  -3.975
  395   1HG1  VAL  50          2HG1      VAL  50  -8.394  24.854  -2.213
  396   2HG1  VAL  50          1HG1      VAL  50  -9.463  25.223  -3.588
  397   3HG1  VAL  50          3HG1      VAL  50 -10.101  24.350  -2.177
  398   1HG2  VAL  50          3HG2      VAL  50  -6.832  23.724  -3.991
  399   2HG2  VAL  50          1HG2      VAL  50  -7.543  22.489  -5.055
  400   3HG2  VAL  50          2HG2      VAL  50  -8.057  24.185  -5.195
  401    H    ALA  51           H        ALA  51 -10.285  20.473  -2.496
  402    HA   ALA  51           HA       ALA  51 -12.013  21.556  -0.514
  403   1HB   ALA  51          2HB       ALA  51 -12.743  20.038  -2.318
  404   2HB   ALA  51          3HB       ALA  51 -11.785  18.717  -1.602
  405   3HB   ALA  51          1HB       ALA  51 -13.180  19.386  -0.719
  406    H    ARG  52           H        ARG  52  -9.169  19.472  -0.285
  407    HA   ARG  52           HA       ARG  52  -8.157  18.416   1.478
  408   1HB   ARG  52          1HB       ARG  52  -9.572  20.670   2.968
  409   2HB   ARG  52          2HB       ARG  52  -8.361  19.598   3.705
  410   1HG   ARG  52          1HG       ARG  52  -6.646  20.340   2.175
  411   2HG   ARG  52          2HG       ARG  52  -7.829  21.221   1.182
  412   1HD   ARG  52          2HD       ARG  52  -6.561  22.758   2.670
  413   2HD   ARG  52          1HD       ARG  52  -8.297  22.758   3.034
  414    HE   ARG  52           HE       ARG  52  -7.867  21.833   5.119
  415   1HH1  ARG  52          2HH1      ARG  52  -4.984  21.556   3.072
  416   2HH1  ARG  52          1HH1      ARG  52  -3.928  21.106   4.391
  417   1HH2  ARG  52          1HH2      ARG  52  -6.469  21.221   6.846
  418   2HH2  ARG  52          2HH2      ARG  52  -4.780  20.891   6.537
  419    H    SER  53           H        SER  53 -10.202  16.932   0.642
  420    HA   SER  53           HA       SER  53 -11.216  15.740   3.143
  421   1HB   SER  53          1HB       SER  53 -13.058  16.513   0.837
  422   2HB   SER  53          2HB       SER  53 -13.524  15.652   2.324
  423    HG   SER  53           HG       SER  53 -12.342  17.731   3.223
  424    H    LEU  54           H        LEU  54  -9.146  14.980   1.277
  425    HA   LEU  54           HA       LEU  54 -10.348  12.465   0.206
  426   1HB   LEU  54          2HB       LEU  54  -8.247  14.278  -1.060
  427   2HB   LEU  54          1HB       LEU  54  -8.574  12.614  -1.595
  428    HG   LEU  54           HG       LEU  54 -11.127  13.701  -1.518
  429   1HD1  LEU  54          2HD1      LEU  54 -10.155  15.967  -1.100
  430   2HD1  LEU  54          1HD1      LEU  54  -9.221  15.825  -2.605
  431   3HD1  LEU  54          3HD1      LEU  54 -10.999  15.875  -2.662
  432   1HD2  LEU  54          1HD2      LEU  54  -9.145  13.657  -3.839
  433   2HD2  LEU  54          3HD2      LEU  54 -10.172  12.301  -3.310
  434   3HD2  LEU  54          2HD2      LEU  54 -10.914  13.766  -3.996
  435    H    LYS  55           H        LYS  55  -9.198  10.608   0.640
  436    HA   LYS  55           HA       LYS  55  -7.162  10.815   2.727
  437   1HB   LYS  55          1HB       LYS  55  -8.431   8.448   1.280
  438   2HB   LYS  55          2HB       LYS  55  -7.283   8.311   2.634
  439   1HG   LYS  55          2HG       LYS  55  -8.830   9.645   4.063
  440   2HG   LYS  55          1HG       LYS  55  -9.988   9.724   2.714
  441   1HD   LYS  55          1HD       LYS  55 -10.202   7.276   2.707
  442   2HD   LYS  55          2HD       LYS  55  -8.956   7.140   3.970
  443   1HE   LYS  55          1HE       LYS  55 -11.147   6.946   5.014
  444   2HE   LYS  55          2HE       LYS  55 -10.416   8.490   5.500
  445   1HZ   LYS  55          2HZ       LYS  55 -12.393   8.150   3.351
  446   2HZ   LYS  55          1HZ       LYS  55 -12.719   8.708   4.868
  447   3HZ   LYS  55          3HZ       LYS  55 -11.747   9.580   3.860
  448    H    VAL  56           H        VAL  56  -4.988  10.446   2.514
  449    HA   VAL  56           HA       VAL  56  -3.944   9.567  -0.125
  450    HB   VAL  56           HB       VAL  56  -3.005  12.022   1.433
  451   1HG1  VAL  56          2HG1      VAL  56  -2.032  10.741  -1.160
  452   2HG1  VAL  56          1HG1      VAL  56  -1.499  12.326  -0.550
  453   3HG1  VAL  56          3HG1      VAL  56  -1.130  10.851   0.371
  454   1HG2  VAL  56          1HG2      VAL  56  -4.454  11.713  -1.235
  455   2HG2  VAL  56          3HG2      VAL  56  -5.068  12.518   0.231
  456   3HG2  VAL  56          2HG2      VAL  56  -3.710  13.226  -0.669
   
  No H/Q in entry =         456
  Start of MODEL          20
 Raw file had  466 H/Q atoms
  Start of MODEL   20
    1   1H    MET   1          3H        MET   1  -0.778  16.988  -4.829
    2   2H    MET   1          1H        MET   1  -0.344  17.765  -3.441
    3   3H    MET   1          2H        MET   1  -1.812  17.020  -3.544
    4    HA   MET   1           HA       MET   1  -2.548  18.528  -5.217
    5   1HB   MET   1          2HB       MET   1  -2.949  19.058  -2.824
    6   2HB   MET   1          1HB       MET   1  -1.411  19.947  -2.768
    7   1HG   MET   1          1HG       MET   1  -2.250  21.433  -4.597
    8   2HG   MET   1          2HG       MET   1  -3.800  20.579  -4.554
    9   1HE   MET   1          1HE       MET   1  -5.536  20.712  -2.709
   10   2HE   MET   1          3HE       MET   1  -4.390  20.134  -1.477
   11   3HE   MET   1          2HE       MET   1  -5.355  21.595  -1.175
   12    H    ALA   2           H        ALA   2   0.384  20.022  -3.719
   13    HA   ALA   2           HA       ALA   2   1.695  20.334  -6.281
   14   1HB   ALA   2          1HB       ALA   2   0.305  22.697  -4.960
   15   2HB   ALA   2          2HB       ALA   2   1.662  22.897  -6.095
   16   3HB   ALA   2          3HB       ALA   2   0.153  22.131  -6.640
   17    H    THR   3           H        THR   3   1.820  22.710  -3.668
   18    HA   THR   3           HA       THR   3   3.256  23.056  -1.914
   19    HB   THR   3           HB       THR   3   4.670  20.422  -2.472
   20    HG1  THR   3           HG1      THR   3   3.047  19.432  -1.249
   21   1HG2  THR   3          2HG2      THR   3   4.151  22.195  -0.072
   22   2HG2  THR   3          1HG2      THR   3   4.551  20.478   0.135
   23   3HG2  THR   3          3HG2      THR   3   5.698  21.562  -0.677
   24    H    ILE   4           H        ILE   4   5.896  23.120  -1.631
   25    HA   ILE   4           HA       ILE   4   6.945  24.862  -3.468
   26    HB   ILE   4           HB       ILE   4   8.068  22.954  -1.479
   27   1HG1  ILE   4          2HG1      ILE   4   8.785  25.826  -2.237
   28   2HG1  ILE   4          1HG1      ILE   4   7.483  25.385  -1.109
   29   1HG2  ILE   4          2HG2      ILE   4   9.811  24.094  -3.716
   30   2HG2  ILE   4          1HG2      ILE   4  10.425  23.374  -2.211
   31   3HG2  ILE   4          3HG2      ILE   4   9.531  22.370  -3.367
   32   1HD1  ILE   4          2HD1      ILE   4   9.323  24.039   0.158
   33   2HD1  ILE   4          1HD1      ILE   4  10.475  25.012  -0.786
   34   3HD1  ILE   4          3HD1      ILE   4   9.326  25.812   0.309
   35    H    LYS   5           H        LYS   5   6.822  21.315  -3.725
   36    HA   LYS   5           HA       LYS   5   8.496  20.789  -5.843
   37   1HB   LYS   5          1HB       LYS   5   5.758  19.717  -5.107
   38   2HB   LYS   5          2HB       LYS   5   6.695  19.039  -6.449
   39   1HG   LYS   5          2HG       LYS   5   7.945  19.376  -3.702
   40   2HG   LYS   5          1HG       LYS   5   6.925  17.965  -4.072
   41   1HD   LYS   5          1HD       LYS   5   8.384  17.461  -6.049
   42   2HD   LYS   5          2HD       LYS   5   9.431  18.827  -5.594
   43   1HE   LYS   5          2HE       LYS   5  10.447  16.834  -4.703
   44   2HE   LYS   5          1HE       LYS   5   9.747  17.722  -3.332
   45   1HZ   LYS   5          3HZ       LYS   5   8.477  15.457  -4.713
   46   2HZ   LYS   5          1HZ       LYS   5   9.262  15.373  -3.266
   47   3HZ   LYS   5          2HZ       LYS   5   7.875  16.257  -3.403
   48    H    ASP   6           H        ASP   6   4.946  21.590  -6.247
   49    HA   ASP   6           HA       ASP   6   5.526  22.084  -9.113
   50   1HB   ASP   6          1HB       ASP   6   3.009  21.769  -7.484
   51   2HB   ASP   6          2HB       ASP   6   2.973  22.353  -9.159
   52    H    VAL   7           H        VAL   7   4.626  23.887  -6.186
   53    HA   VAL   7           HA       VAL   7   3.806  26.296  -7.421
   54    HB   VAL   7           HB       VAL   7   5.213  25.738  -4.773
   55   1HG1  VAL   7          1HG1      VAL   7   3.953  28.297  -5.853
   56   2HG1  VAL   7          2HG1      VAL   7   4.329  28.021  -4.135
   57   3HG1  VAL   7          3HG1      VAL   7   5.642  28.066  -5.335
   58   1HG2  VAL   7          3HG2      VAL   7   2.934  24.756  -5.099
   59   2HG2  VAL   7          1HG2      VAL   7   2.950  26.022  -3.850
   60   3HG2  VAL   7          2HG2      VAL   7   2.312  26.380  -5.472
   61    H    ALA   8           H        ALA   8   7.075  25.074  -6.530
   62    HA   ALA   8           HA       ALA   8   8.498  27.432  -7.264
   63   1HB   ALA   8          1HB       ALA   8   9.429  25.606  -5.875
   64   2HB   ALA   8          2HB       ALA   8   9.418  24.532  -7.296
   65   3HB   ALA   8          3HB       ALA   8  10.459  25.975  -7.275
   66    H    LYS   9           H        LYS   9   7.583  24.475  -9.118
   67    HA   LYS   9           HA       LYS   9   9.014  25.156 -11.488
   68   1HB   LYS   9          1HB       LYS   9   6.488  23.513 -10.978
   69   2HB   LYS   9          2HB       LYS   9   7.229  23.660 -12.587
   70   1HG   LYS   9          2HG       LYS   9   9.188  22.515 -11.932
   71   2HG   LYS   9          1HG       LYS   9   8.886  22.795 -10.204
   72   1HD   LYS   9          2HD       LYS   9   8.455  20.419 -10.983
   73   2HD   LYS   9          1HD       LYS   9   7.091  21.196 -10.163
   74   1HE   LYS   9          2HE       LYS   9   6.147  21.795 -12.431
   75   2HE   LYS   9          1HE       LYS   9   7.449  20.832 -13.164
   76   1HZ   LYS   9          3HZ       LYS   9   6.615  18.948 -11.913
   77   2HZ   LYS   9          1HZ       LYS   9   5.383  19.864 -11.299
   78   3HZ   LYS   9          2HZ       LYS   9   5.463  19.558 -12.922
   79    H    ARG  10           H        ARG  10   5.625  25.813 -10.466
   80    HA   ARG  10           HA       ARG  10   4.760  27.139 -12.789
   81   1HB   ARG  10          1HB       ARG  10   3.670  26.501 -10.349
   82   2HB   ARG  10          2HB       ARG  10   3.842  28.261 -10.182
   83   1HG   ARG  10          2HG       ARG  10   2.438  26.809 -12.476
   84   2HG   ARG  10          1HG       ARG  10   1.634  27.651 -11.131
   85   1HD   ARG  10          2HD       ARG  10   2.924  29.748 -11.859
   86   2HD   ARG  10          1HD       ARG  10   3.344  28.854 -13.337
   87    HE   ARG  10           HE       ARG  10   0.516  28.734 -12.893
   88   1HH1  ARG  10          1HH2      ARG  10   3.102  30.948 -13.871
   89   2HH1  ARG  10          2HH2      ARG  10   2.067  31.929 -14.882
   90   1HH2  ARG  10          1HH1      ARG  10  -0.848  30.032 -14.236
   91   2HH2  ARG  10          2HH1      ARG  10  -0.188  31.408 -15.087
   92    H    ALA  11           H        ALA  11   6.612  28.336  -9.959
   93    HA   ALA  11           HA       ALA  11   6.574  31.093 -10.785
   94   1HB   ALA  11          2HB       ALA  11   6.953  30.370  -8.451
   95   2HB   ALA  11          3HB       ALA  11   8.482  29.600  -8.938
   96   3HB   ALA  11          1HB       ALA  11   8.302  31.366  -9.053
   97    H    ASN  12           H        ASN  12   9.191  28.562 -10.899
   98    HA   ASN  12           HA       ASN  12  10.129  29.451 -13.474
   99   1HB   ASN  12          1HB       ASN  12  10.889  31.362 -12.109
  100   2HB   ASN  12          2HB       ASN  12  11.702  30.243 -10.999
  101   1HD2  ASN  12          1HD2      ASN  12  14.671  30.288 -12.853
  102   2HD2  ASN  12          2HD2      ASN  12  13.861  30.196 -11.299
  103    H    VAL  13           H        VAL  13  11.029  27.699 -14.366
  104    HA   VAL  13           HA       VAL  13  12.000  25.657 -14.642
  105    HB   VAL  13           HB       VAL  13  13.837  26.724 -12.451
  106   1HG1  VAL  13          1HG1      VAL  13  14.187  24.552 -14.570
  107   2HG1  VAL  13          2HG1      VAL  13  15.521  25.246 -13.617
  108   3HG1  VAL  13          3HG1      VAL  13  14.231  24.334 -12.806
  109   1HG2  VAL  13          1HG2      VAL  13  13.929  26.935 -15.494
  110   2HG2  VAL  13          3HG2      VAL  13  13.593  28.267 -14.366
  111   3HG2  VAL  13          2HG2      VAL  13  15.195  27.502 -14.381
  112    H    SER  14           H        SER  14  12.941  25.572 -11.195
  113    HA   SER  14           HA       SER  14  10.777  23.754 -10.471
  114   1HB   SER  14          1HB       SER  14  13.612  22.782 -10.993
  115   2HB   SER  14          2HB       SER  14  12.498  21.907  -9.920
  116    HG   SER  14           HG       SER  14  11.732  22.658 -12.530
  117    H    THR  15           H        THR  15  11.853  22.568  -8.242
  118    HA   THR  15           HA       THR  15  11.723  24.500  -6.250
  119    HB   THR  15           HB       THR  15  12.712  22.779  -4.777
  120    HG1  THR  15           HG1      THR  15  13.491  20.886  -5.734
  121   1HG2  THR  15          3HG2      THR  15  10.325  22.636  -5.657
  122   2HG2  THR  15          2HG2      THR  15  10.917  21.476  -6.869
  123   3HG2  THR  15          1HG2      THR  15  11.031  21.088  -5.137
  124    H    THR  16           H        THR  16  14.492  23.616  -8.248
  125    HA   THR  16           HA       THR  16  16.645  24.459  -6.709
  126    HB   THR  16           HB       THR  16  17.625  25.129  -8.983
  127    HG1  THR  16           HG1      THR  16  16.299  24.561 -10.754
  128   1HG2  THR  16          2HG2      THR  16  17.824  22.847  -8.023
  129   2HG2  THR  16          3HG2      THR  16  16.258  22.408  -8.747
  130   3HG2  THR  16          1HG2      THR  16  17.645  22.794  -9.792
  131    H    THR  17           H        THR  17  14.377  26.469  -8.676
  132    HA   THR  17           HA       THR  17  15.752  28.921  -8.332
  133    HB   THR  17           HB       THR  17  13.751  28.244  -9.892
  134    HG1  THR  17           HG1      THR  17  13.955  30.769  -8.608
  135   1HG2  THR  17          3HG2      THR  17  12.195  27.770  -7.944
  136   2HG2  THR  17          2HG2      THR  17  12.214  29.510  -7.580
  137   3HG2  THR  17          1HG2      THR  17  11.556  28.930  -9.123
  138    H    VAL  18           H        VAL  18  13.359  27.251  -6.243
  139    HA   VAL  18           HA       VAL  18  13.007  29.471  -4.448
  140    HB   VAL  18           HB       VAL  18  12.536  26.473  -4.162
  141   1HG1  VAL  18          1HG1      VAL  18  11.938  28.779  -2.267
  142   2HG1  VAL  18          2HG1      VAL  18  11.126  27.199  -2.170
  143   3HG1  VAL  18          3HG1      VAL  18  12.884  27.309  -1.927
  144   1HG2  VAL  18          2HG2      VAL  18  10.678  28.859  -4.554
  145   2HG2  VAL  18          3HG2      VAL  18  11.099  27.655  -5.791
  146   3HG2  VAL  18          1HG2      VAL  18  10.162  27.169  -4.360
  147    H    SER  19           H        SER  19  15.108  26.546  -4.450
  148    HA   SER  19           HA       SER  19  16.356  26.982  -1.956
  149   1HB   SER  19          1HB       SER  19  17.583  25.816  -4.493
  150   2HB   SER  19          2HB       SER  19  18.120  25.526  -2.821
  151    HG   SER  19           HG       SER  19  16.743  23.867  -3.629
  152    H    HIS  20           H        HIS  20  17.218  28.182  -5.246
  153    HA   HIS  20           HA       HIS  20  19.623  29.498  -4.565
  154   1HB   HIS  20          1HB       HIS  20  17.519  30.282  -6.622
  155   2HB   HIS  20          2HB       HIS  20  19.195  30.848  -6.590
  156    HD1  HIS  20           HD1      HIS  20  18.379  29.476  -9.135
  157    HD2  HIS  20           HD2      HIS  20  19.799  27.347  -5.829
  158    HE1  HIS  20           HE1      HIS  20  19.256  27.243  -9.979
  159    H    VAL  21           H        VAL  21  16.239  30.681  -4.562
  160    HA   VAL  21           HA       VAL  21  16.877  33.370  -3.835
  161    HB   VAL  21           HB       VAL  21  14.369  31.661  -3.713
  162   1HG1  VAL  21          2HG1      VAL  21  14.777  34.543  -2.816
  163   2HG1  VAL  21          3HG1      VAL  21  13.188  33.888  -3.282
  164   3HG1  VAL  21          1HG1      VAL  21  14.058  33.200  -1.894
  165   1HG2  VAL  21          1HG2      VAL  21  15.270  32.440  -5.920
  166   2HG2  VAL  21          3HG2      VAL  21  13.678  33.135  -5.541
  167   3HG2  VAL  21          2HG2      VAL  21  15.147  34.118  -5.344
  168    H    ILE  22           H        ILE  22  15.710  30.582  -1.822
  169    HA   ILE  22           HA       ILE  22  15.657  32.016   0.619
  170    HB   ILE  22           HB       ILE  22  16.049  29.054   0.022
  171   1HG1  ILE  22          2HG1      ILE  22  13.621  30.622   1.018
  172   2HG1  ILE  22          1HG1      ILE  22  13.891  30.195  -0.682
  173   1HG2  ILE  22          1HG2      ILE  22  15.465  30.482   2.661
  174   2HG2  ILE  22          3HG2      ILE  22  15.400  28.722   2.418
  175   3HG2  ILE  22          2HG2      ILE  22  16.946  29.579   2.265
  176   1HD1  ILE  22          1HD1      ILE  22  14.073  27.758   0.090
  177   2HD1  ILE  22          2HD1      ILE  22  13.454  28.312   1.664
  178   3HD1  ILE  22          3HD1      ILE  22  12.459  28.496   0.204
  179    H    ASN  23           H        ASN  23  18.255  29.843  -0.690
  180    HA   ASN  23           HA       ASN  23  20.053  30.463   1.481
  181   1HB   ASN  23          1HB       ASN  23  20.453  29.189  -1.253
  182   2HB   ASN  23          2HB       ASN  23  21.746  29.363  -0.048
  183   1HD2  ASN  23          1HD2      ASN  23  18.794  26.525   0.427
  184   2HD2  ASN  23          2HD2      ASN  23  18.696  27.742  -0.830
  185    H    LYS  24           H        LYS  24  19.158  32.110  -1.452
  186    HA   LYS  24           HA       LYS  24  19.873  34.047  -2.411
  187   1HB   LYS  24          1HB       LYS  24  19.757  34.672   0.120
  188   2HB   LYS  24          2HB       LYS  24  21.535  34.625   0.059
  189   1HG   LYS  24          2HG       LYS  24  21.495  36.262  -1.825
  190   2HG   LYS  24          1HG       LYS  24  19.718  36.318  -1.720
  191   1HD   LYS  24          1HD       LYS  24  19.870  37.136   0.607
  192   2HD   LYS  24          2HD       LYS  24  21.646  37.048   0.531
  193   1HE   LYS  24          1HE       LYS  24  21.643  38.686  -1.335
  194   2HE   LYS  24          2HE       LYS  24  19.871  38.781  -1.246
  195   1HZ   LYS  24          1HZ       LYS  24  21.733  39.511   0.907
  196   2HZ   LYS  24          2HZ       LYS  24  20.916  40.566  -0.062
  197   3HZ   LYS  24          3HZ       LYS  24  20.088  39.600   0.987
  198    H    THR  25           H        THR  25  21.221  31.775  -3.201
  199    HA   THR  25           HA       THR  25  24.110  32.454  -3.203
  200    HB   THR  25           HB       THR  25  24.213  30.195  -4.426
  201    HG1  THR  25           HG1      THR  25  22.312  28.921  -4.044
  202   1HG2  THR  25          1HG2      THR  25  23.067  30.362  -1.605
  203   2HG2  THR  25          2HG2      THR  25  23.856  28.927  -2.298
  204   3HG2  THR  25          3HG2      THR  25  24.786  30.425  -2.054
  205    H    ARG  26           H        ARG  26  22.096  30.984  -5.775
  206    HA   ARG  26           HA       ARG  26  23.398  32.655  -7.781
  207   1HB   ARG  26          1HB       ARG  26  22.847  30.293  -8.229
  208   2HB   ARG  26          2HB       ARG  26  21.120  30.636  -7.980
  209   1HG   ARG  26          1HG       ARG  26  21.088  32.149  -9.892
  210   2HG   ARG  26          2HG       ARG  26  22.853  32.015 -10.081
  211   1HD   ARG  26          1HD       ARG  26  22.648  29.630 -10.607
  212   2HD   ARG  26          2HD       ARG  26  20.893  29.692 -10.317
  213    HE   ARG  26           HE       ARG  26  21.493  31.642 -12.271
  214   1HH1  ARG  26          1HH2      ARG  26  21.628  28.124 -11.876
  215   2HH1  ARG  26          2HH2      ARG  26  21.370  27.787 -13.572
  216   1HH2  ARG  26          1HH1      ARG  26  21.143  31.191 -14.507
  217   2HH2  ARG  26          2HH1      ARG  26  21.089  29.537 -15.072
  218    H    PHE  27           H        PHE  27  22.826  34.786  -7.621
  219    HA   PHE  27           HA       PHE  27  20.259  35.738  -6.867
  220   1HB   PHE  27          1HB       PHE  27  22.316  37.082  -6.776
  221   2HB   PHE  27          2HB       PHE  27  22.451  37.024  -8.542
  222    HD1  PHE  27           HD2      PHE  27  20.288  38.247  -5.739
  223    HD2  PHE  27           HD1      PHE  27  21.312  38.603  -9.910
  224    HE1  PHE  27           HE2      PHE  27  18.887  40.292  -5.910
  225    HE2  PHE  27           HE1      PHE  27  19.911  40.645 -10.076
  226    HZ   PHE  27           HZ       PHE  27  18.699  41.492  -8.079
  227    H    VAL  28           H        VAL  28  18.495  36.440  -8.054
  228    HA   VAL  28           HA       VAL  28  18.491  35.858 -10.978
  229    HB   VAL  28           HB       VAL  28  16.052  35.131 -10.591
  230   1HG1  VAL  28          1HG1      VAL  28  17.885  33.553 -11.145
  231   2HG1  VAL  28          2HG1      VAL  28  18.291  33.416  -9.418
  232   3HG1  VAL  28          3HG1      VAL  28  16.724  32.821 -10.011
  233   1HG2  VAL  28          1HG2      VAL  28  15.939  36.022  -8.236
  234   2HG2  VAL  28          3HG2      VAL  28  15.471  34.312  -8.364
  235   3HG2  VAL  28          2HG2      VAL  28  17.075  34.748  -7.735
  236    H    ALA  29           H        ALA  29  16.467  36.916 -11.991
  237    HA   ALA  29           HA       ALA  29  16.602  39.712 -11.521
  238   1HB   ALA  29          2HB       ALA  29  15.961  38.691 -13.679
  239   2HB   ALA  29          1HB       ALA  29  14.470  38.057 -12.940
  240   3HB   ALA  29          3HB       ALA  29  14.705  39.814 -13.105
  241    H    GLU  30           H        GLU  30  14.867  41.149 -10.840
  242    HA   GLU  30           HA       GLU  30  13.875  40.717  -8.285
  243   1HB   GLU  30          1HB       GLU  30  12.962  42.459 -10.600
  244   2HB   GLU  30          2HB       GLU  30  12.117  42.496  -9.038
  245   1HG   GLU  30          2HG       GLU  30  15.127  42.874  -9.294
  246   2HG   GLU  30          1HG       GLU  30  13.977  44.227  -9.353
  247    H    GLU  31           H        GLU  31  12.272  40.097 -11.426
  248    HA   GLU  31           HA       GLU  31   9.724  39.434 -10.527
  249   1HB   GLU  31          2HB       GLU  31  11.349  38.301 -12.844
  250   2HB   GLU  31          1HB       GLU  31   9.595  38.083 -12.638
  251   1HG   GLU  31          2HG       GLU  31   9.279  40.538 -12.668
  252   2HG   GLU  31          1HG       GLU  31  11.030  40.768 -12.866
  253    H    THR  32           H        THR  32  12.503  37.135 -11.055
  254    HA   THR  32           HA       THR  32  11.051  34.838 -10.262
  255    HB   THR  32           HB       THR  32  14.032  35.302  -9.941
  256    HG1  THR  32           HG1      THR  32  12.519  34.642 -12.251
  257   1HG2  THR  32          2HG2      THR  32  12.336  32.853 -10.595
  258   2HG2  THR  32          3HG2      THR  32  14.114  32.885 -10.552
  259   3HG2  THR  32          1HG2      THR  32  13.184  33.163  -9.062
  260    H    ARG  33           H        ARG  33  13.326  36.918  -8.366
  261    HA   ARG  33           HA       ARG  33  13.155  35.451  -5.960
  262   1HB   ARG  33          1HB       ARG  33  14.788  37.312  -6.628
  263   2HB   ARG  33          2HB       ARG  33  13.514  38.459  -6.159
  264   1HG   ARG  33          1HG       ARG  33  13.437  37.132  -3.913
  265   2HG   ARG  33          2HG       ARG  33  14.995  36.447  -4.426
  266   1HD   ARG  33          1HD       ARG  33  15.441  38.395  -3.052
  267   2HD   ARG  33          2HD       ARG  33  15.847  38.792  -4.734
  268    HE   ARG  33           HE       ARG  33  13.246  39.570  -3.456
  269   1HH1  ARG  33          2HH1      ARG  33  16.298  40.625  -4.885
  270   2HH1  ARG  33          1HH1      ARG  33  15.611  42.039  -5.657
  271   1HH2  ARG  33          1HH2      ARG  33  12.352  41.476  -4.415
  272   2HH2  ARG  33          2HH2      ARG  33  13.393  42.574  -5.306
  273    H    ASN  34           H        ASN  34  11.307  38.393  -6.971
  274    HA   ASN  34           HA       ASN  34   9.743  38.526  -4.594
  275   1HB   ASN  34          1HB       ASN  34   9.266  39.571  -7.414
  276   2HB   ASN  34          2HB       ASN  34   8.253  39.986  -6.014
  277   1HD2  ASN  34          1HD2      ASN  34  11.285  42.381  -6.688
  278   2HD2  ASN  34          2HD2      ASN  34  10.194  41.584  -7.807
  279    H    ALA  35           H        ALA  35   9.193  36.887  -7.750
  280    HA   ALA  35           HA       ALA  35   6.498  36.126  -7.260
  281   1HB   ALA  35          1HB       ALA  35   8.679  34.784  -8.913
  282   2HB   ALA  35          3HB       ALA  35   6.946  34.381  -8.988
  283   3HB   ALA  35          2HB       ALA  35   7.504  35.997  -9.481
  284    H    VAL  36           H        VAL  36   9.603  34.387  -6.612
  285    HA   VAL  36           HA       VAL  36   8.494  32.012  -5.597
  286    HB   VAL  36           HB       VAL  36  11.068  33.526  -5.079
  287   1HG1  VAL  36          3HG1      VAL  36  10.101  30.957  -3.760
  288   2HG1  VAL  36          2HG1      VAL  36  11.820  31.398  -3.881
  289   3HG1  VAL  36          1HG1      VAL  36  10.702  32.430  -2.965
  290   1HG2  VAL  36          2HG2      VAL  36  10.671  32.312  -7.240
  291   2HG2  VAL  36          3HG2      VAL  36  12.024  31.634  -6.306
  292   3HG2  VAL  36          1HG2      VAL  36  10.450  30.808  -6.318
  293    H    TRP  37           H        TRP  37   9.439  35.002  -3.779
  294    HA   TRP  37           HA       TRP  37   8.493  34.043  -1.270
  295   1HB   TRP  37          1HB       TRP  37   8.877  36.848  -2.363
  296   2HB   TRP  37          2HB       TRP  37   8.484  36.493  -0.674
  297    HD1  TRP  37           HD1      TRP  37  11.304  37.475  -2.496
  298    HE1  TRP  37           HE1      TRP  37  13.554  36.668  -1.535
  299    HE3  TRP  37           HE3      TRP  37   9.588  33.755   0.591
  300    HZ2  TRP  37           HZ2      TRP  37  14.473  34.683   0.305
  301    HZ3  TRP  37           HZ3      TRP  37  11.195  32.426   1.927
  302    HH2  TRP  37           HH2      TRP  37  13.630  32.882   1.784
  303    H    ALA  38           H        ALA  38   6.893  35.811  -3.940
  304    HA   ALA  38           HA       ALA  38   4.382  35.977  -2.400
  305   1HB   ALA  38          3HB       ALA  38   5.168  37.859  -3.841
  306   2HB   ALA  38          2HB       ALA  38   5.027  36.801  -5.265
  307   3HB   ALA  38          1HB       ALA  38   3.574  37.241  -4.335
  308    H    ALA  39           H        ALA  39   5.585  33.333  -3.181
  309    HA   ALA  39           HA       ALA  39   3.156  32.265  -4.537
  310   1HB   ALA  39          2HB       ALA  39   6.045  31.408  -4.983
  311   2HB   ALA  39          1HB       ALA  39   4.615  30.558  -5.608
  312   3HB   ALA  39          3HB       ALA  39   4.982  32.203  -6.168
  313    H    ILE  40           H        ILE  40   6.042  31.606  -2.488
  314    HA   ILE  40           HA       ILE  40   5.203  29.154  -1.389
  315    HB   ILE  40           HB       ILE  40   6.871  31.438  -0.248
  316   1HG1  ILE  40          1HG1      ILE  40   7.798  28.696  -1.178
  317   2HG1  ILE  40          2HG1      ILE  40   7.570  30.023  -2.336
  318   1HG2  ILE  40          1HG2      ILE  40   6.381  28.623   0.831
  319   2HG2  ILE  40          3HG2      ILE  40   7.697  29.686   1.381
  320   3HG2  ILE  40          2HG2      ILE  40   6.007  30.160   1.645
  321   1HD1  ILE  40          1HD1      ILE  40   9.105  31.447  -0.968
  322   2HD1  ILE  40          3HD1      ILE  40   9.392  30.060   0.109
  323   3HD1  ILE  40          2HD1      ILE  40   9.903  29.984  -1.591
  324    H    LYS  41           H        LYS  41   4.541  32.535  -0.283
  325    HA   LYS  41           HA       LYS  41   2.555  31.420   1.652
  326   1HB   LYS  41          1HB       LYS  41   2.772  33.679   2.738
  327   2HB   LYS  41          2HB       LYS  41   4.273  32.725   2.737
  328   1HG   LYS  41          2HG       LYS  41   5.285  34.062   1.099
  329   2HG   LYS  41          1HG       LYS  41   3.733  34.637   0.457
  330   1HD   LYS  41          2HD       LYS  41   4.830  36.446   1.688
  331   2HD   LYS  41          1HD       LYS  41   3.359  35.935   2.546
  332   1HE   LYS  41          2HE       LYS  41   5.227  36.250   4.128
  333   2HE   LYS  41          1HE       LYS  41   4.732  34.546   4.079
  334   1HZ   LYS  41          3HZ       LYS  41   6.999  35.681   2.593
  335   2HZ   LYS  41          2HZ       LYS  41   7.120  34.853   4.015
  336   3HZ   LYS  41          1HZ       LYS  41   6.570  34.091   2.662
  337    H    GLU  42           H        GLU  42   2.040  31.694  -1.243
  338    HA   GLU  42           HA       GLU  42  -0.311  33.497  -1.018
  339   1HB   GLU  42          1HB       GLU  42   1.927  34.314  -2.368
  340   2HB   GLU  42          2HB       GLU  42   1.054  33.471  -3.666
  341   1HG   GLU  42          2HG       GLU  42  -0.125  35.632  -1.864
  342   2HG   GLU  42          1HG       GLU  42   0.463  35.892  -3.519
  343    H    LEU  43           H        LEU  43   1.380  31.150  -3.205
  344    HA   LEU  43           HA       LEU  43  -1.209  30.075  -4.086
  345   1HB   LEU  43          1HB       LEU  43   1.685  29.790  -4.863
  346   2HB   LEU  43          2HB       LEU  43   0.606  28.437  -5.237
  347    HG   LEU  43           HG       LEU  43   0.849  30.136  -7.095
  348   1HD1  LEU  43          1HD1      LEU  43  -1.139  28.592  -6.812
  349   2HD1  LEU  43          3HD1      LEU  43  -1.994  29.934  -6.018
  350   3HD1  LEU  43          2HD1      LEU  43  -1.482  30.088  -7.711
  351   1HD2  LEU  43          1HD2      LEU  43   0.902  32.141  -5.575
  352   2HD2  LEU  43          3HD2      LEU  43  -0.256  32.284  -6.916
  353   3HD2  LEU  43          2HD2      LEU  43  -0.838  31.908  -5.281
  354    H    HIS  44           H        HIS  44   0.148  29.805  -1.229
  355    HA   HIS  44           HA       HIS  44  -0.224  28.344   0.452
  356   1HB   HIS  44          1HB       HIS  44  -2.090  27.508  -1.286
  357   2HB   HIS  44          2HB       HIS  44  -1.057  26.071  -1.297
  358    HD1  HIS  44           HD1      HIS  44  -0.775  24.785   1.031
  359    HD2  HIS  44           HD2      HIS  44  -3.559  27.911   1.028
  360    HE1  HIS  44           HE1      HIS  44  -2.195  24.554   3.132
  361    H    TYR  45           H        TYR  45   0.857  26.747   1.474
  362    HA   TYR  45           HA       TYR  45   2.759  25.023   0.084
  363   1HB   TYR  45          1HB       TYR  45   4.082  27.040   0.120
  364   2HB   TYR  45          2HB       TYR  45   3.646  27.367   1.806
  365    HD1  TYR  45           HD2      TYR  45   5.031  24.388  -0.062
  366    HD2  TYR  45           HD1      TYR  45   5.436  27.104   3.258
  367    HE1  TYR  45           HE2      TYR  45   7.036  23.146   0.713
  368    HE2  TYR  45           HE1      TYR  45   7.446  25.865   4.024
  369    HH   TYR  45           HH       TYR  45   8.711  23.014   2.269
  370    H    SER  46           H        SER  46   3.482  23.331   1.436
  371    HA   SER  46           HA       SER  46   2.330  23.268   4.186
  372   1HB   SER  46          2HB       SER  46   2.283  21.063   2.085
  373   2HB   SER  46          1HB       SER  46   1.758  20.889   3.778
  374    HG   SER  46           HG       SER  46  -0.002  21.356   2.427
  375    HA   PRO  47           HA       PRO  47   6.816  22.379   4.381
  376   1HB   PRO  47          2HB       PRO  47   6.816  23.119   7.159
  377   2HB   PRO  47          1HB       PRO  47   7.467  24.050   5.781
  378   1HG   PRO  47          1HG       PRO  47   5.077  24.582   7.343
  379   2HG   PRO  47          2HG       PRO  47   5.758  25.542   5.999
  380   1HD   PRO  47          2HD       PRO  47   3.427  23.811   5.985
  381   2HD   PRO  47          1HD       PRO  47   4.068  24.822   4.655
  382    H    SER  48           H        SER  48   8.055  20.960   6.019
  383    HA   SER  48           HA       SER  48   6.508  18.551   6.466
  384   1HB   SER  48          1HB       SER  48   8.741  17.784   7.456
  385   2HB   SER  48          2HB       SER  48   8.777  18.297   5.752
  386    HG   SER  48           HG       SER  48  10.471  19.216   7.037
  387    H    ALA  49           H        ALA  49   6.123  17.517   8.486
  388    HA   ALA  49           HA       ALA  49   5.314  17.484  10.627
  389   1HB   ALA  49          2HB       ALA  49   7.744  17.477  11.075
  390   2HB   ALA  49          1HB       ALA  49   7.747  19.256  11.114
  391   3HB   ALA  49          3HB       ALA  49   6.855  18.340  12.352
  392    H    VAL  50           H        VAL  50   3.502  18.837   9.614
  393    HA   VAL  50           HA       VAL  50   3.387  21.659  10.204
  394    HB   VAL  50           HB       VAL  50   0.866  21.240   9.748
  395   1HG1  VAL  50          2HG1      VAL  50   2.471  22.125   8.084
  396   2HG1  VAL  50          1HG1      VAL  50   2.944  20.463   7.658
  397   3HG1  VAL  50          3HG1      VAL  50   1.292  21.031   7.324
  398   1HG2  VAL  50          3HG2      VAL  50   1.158  18.704  10.280
  399   2HG2  VAL  50          2HG2      VAL  50   0.196  19.145   8.854
  400   3HG2  VAL  50          1HG2      VAL  50   1.871  18.584   8.658
  401    H    ALA  51           H        ALA  51   4.091  21.615  12.450
  402    HA   ALA  51           HA       ALA  51   3.738  21.720  14.706
  403   1HB   ALA  51          3HB       ALA  51   1.850  23.180  13.898
  404   2HB   ALA  51          2HB       ALA  51   0.776  21.764  13.995
  405   3HB   ALA  51          1HB       ALA  51   1.544  22.399  15.468
  406    H    ARG  52           H        ARG  52   3.885  19.088  13.358
  407    HA   ARG  52           HA       ARG  52   2.831  17.458  15.582
  408   1HB   ARG  52          1HB       ARG  52   2.159  17.051  12.637
  409   2HB   ARG  52          2HB       ARG  52   2.020  15.762  13.855
  410   1HG   ARG  52          1HG       ARG  52   0.501  17.276  15.191
  411   2HG   ARG  52          2HG       ARG  52   0.537  18.427  13.835
  412   1HD   ARG  52          1HD       ARG  52  -0.382  15.526  13.640
  413   2HD   ARG  52          2HD       ARG  52  -1.459  16.927  13.784
  414    HE   ARG  52           HE       ARG  52  -0.849  17.643  11.592
  415   1HH1  ARG  52          2HH1      ARG  52   0.832  14.647  12.507
  416   2HH1  ARG  52          1HH1      ARG  52   1.097  14.142  10.856
  417   1HH2  ARG  52          1HH2      ARG  52  -0.512  16.940   9.424
  418   2HH2  ARG  52          2HH2      ARG  52   0.364  15.463   9.104
  419    H    SER  53           H        SER  53   4.638  16.476  16.314
  420    HA   SER  53           HA       SER  53   7.045  16.232  14.831
  421   1HB   SER  53          1HB       SER  53   7.635  14.592  16.691
  422   2HB   SER  53          2HB       SER  53   7.110  16.203  17.231
  423    HG   SER  53           HG       SER  53   5.808  13.739  17.402
  424    H    LEU  54           H        LEU  54   4.586  13.743  15.721
  425    HA   LEU  54           HA       LEU  54   4.143  11.677  14.842
  426   1HB   LEU  54          2HB       LEU  54   3.396  13.390  13.060
  427   2HB   LEU  54          1HB       LEU  54   4.853  12.925  12.158
  428    HG   LEU  54           HG       LEU  54   3.941  10.451  12.598
  429   1HD1  LEU  54          3HD1      LEU  54   2.079  11.199  14.069
  430   2HD1  LEU  54          1HD1      LEU  54   1.410  12.155  12.724
  431   3HD1  LEU  54          2HD1      LEU  54   1.472  10.378  12.612
  432   1HD2  LEU  54          3HD2      LEU  54   2.708  12.380  10.578
  433   2HD2  LEU  54          2HD2      LEU  54   4.230  11.478  10.377
  434   3HD2  LEU  54          1HD2      LEU  54   2.682  10.604  10.456
  435    H    LYS  55           H        LYS  55   5.791  11.296  12.006
  436    HA   LYS  55           HA       LYS  55   8.437  10.673  13.028
  437   1HB   LYS  55          2HB       LYS  55   6.938   8.749  13.806
  438   2HB   LYS  55          1HB       LYS  55   6.684   8.365  12.089
  439   1HG   LYS  55          2HG       LYS  55   9.124   8.091  11.781
  440   2HG   LYS  55          1HG       LYS  55   9.396   8.521  13.487
  441   1HD   LYS  55          2HD       LYS  55   8.049   6.564  14.197
  442   2HD   LYS  55          1HD       LYS  55   7.769   6.136  12.490
  443   1HE   LYS  55          1HE       LYS  55  10.213   5.876  12.156
  444   2HE   LYS  55          2HE       LYS  55  10.495   6.310  13.856
  445   1HZ   LYS  55          1HZ       LYS  55   8.967   3.984  12.915
  446   2HZ   LYS  55          2HZ       LYS  55  10.498   3.948  13.526
  447   3HZ   LYS  55          3HZ       LYS  55   9.235   4.386  14.492
  448    H    VAL  56           H        VAL  56   9.785  11.095  11.385
  449    HA   VAL  56           HA       VAL  56  10.413  11.849   9.307
  450    HB   VAL  56           HB       VAL  56  10.467  10.055   7.616
  451   1HG1  VAL  56          1HG1      VAL  56  12.058  10.058   9.525
  452   2HG1  VAL  56          3HG1      VAL  56  10.937   9.029  10.448
  453   3HG1  VAL  56          2HG1      VAL  56  11.693   8.409   8.961
  454   1HG2  VAL  56          2HG2      VAL  56   8.127   9.183   8.060
  455   2HG2  VAL  56          3HG2      VAL  56   9.375   7.924   7.949
  456   3HG2  VAL  56          1HG2      VAL  56   8.758   8.420   9.538
   
  No H/Q in entry =         456