*HEADER    ALLERGEN                                23-MAR-04   1SS3              
*TITLE     SOLUTION STRUCTURE OF OLE E 6, AN ALLERGEN FROM OLIVE TREE            
*TITLE    2 POLLEN                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POLLEN ALLERGEN OLE E 6;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: OLEA EUROPAEA;                                  
*SOURCE   3 ORGANISM_COMMON: COMMON OLIVE;                                       
*SOURCE   4 GENE: OLE6;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: FUNGI;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: GS115 HIS 4;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PPIC9                                     
*KEYWDS    ALPHA-HELIX PROTEIN                                                   
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    M.A.TREVINO, M.F.GARCIA-MAYORAL, P.BARRAL, M.VILLALBA,                
*AUTHOR   2 J.SANTORO, M.RICO, R.RODRIGUEZ, M.BRUIX                              
*REVDAT   1   03-AUG-04 1SS3    0                                                


  1 ASP- HA      1 ASP- HB2     3,03                
  1 ASP- HA      1 ASP- HB3     3,03                
  1 ASP- HB2     3 ALA  HN      6,00                
  1 ASP- HB3     3 ALA  HN      6,00                
  1 ASP- QB      3 ALA  HN      5,21                
  2 GLU- HA      2 GLU- HB2     2,87                
  2 GLU- HA      2 GLU- HB3     2,87                
  2 GLU- HA      5 PHE  HB3     3,26                
  2 GLU- HB2     3 ALA  HN      3,99                
  2 GLU- HB3     3 ALA  HN      3,99                
  2 GLU- QB      3 ALA  HN      3,81                
  2 GLU- QB      6 LYS+ HN      5,53                
  2 GLU- QG      3 ALA  HN      6,88                
  3 ALA  HA      6 LYS+ HN      3,86                
  3 ALA  QB      6 LYS+ HN      4,85                
  3 ALA  QB      7 GLU- HN      5,84                
  4 GLN  HN      4 GLN  HA      2,70                
  4 GLN  HN      4 GLN  QB      3,71                
  4 GLN  HN      4 GLN  QG      3,78                
  4 GLN  HA      4 GLN  HG2     3,72                
  4 GLN  HA      4 GLN  HG3     3,72                
  4 GLN  QB      5 PHE  HN      3,94                
  5 PHE  HN      5 PHE  HB2     2,70                
  5 PHE  HN      5 PHE  HB3     2,70                
  5 PHE  HA      5 PHE  HB2     2,77                
  5 PHE  HA      5 PHE  HB3     3,03                
  5 PHE  HA      7 GLU- HN      3,82                
  5 PHE  HA      8 CYS  HB2     4,55                
  5 PHE  HA      8 CYS  HB3     4,55                
  5 PHE  HA      8 CYS  QB      3,76                
  5 PHE  HA      9 TYR  HN      4,19                
  5 PHE  HA     34 CYS  QB      6,74                
  5 PHE  HB2     6 LYS+ HN      3,69                
  5 PHE  HB3     6 LYS+ HN      2,80                
  5 PHE  QD      6 LYS+ HA      6,64                
  5 PHE  QD      6 LYS+ QB      9,00                
  5 PHE  QD      6 LYS+ QG      8,90                
  5 PHE  QR      6 LYS+ HN      8,35                
  5 PHE  QR      6 LYS+ HA      8,15                
  5 PHE  QR      6 LYS+ QB      9,36                
  5 PHE  QR      9 TYR  HN      7,72                
  5 PHE  QR      9 TYR  HB2     8,18                
  5 PHE  QR      9 TYR  HB3     8,48                
  5 PHE  QR      9 TYR  QD     10,62                
  5 PHE  QR      9 TYR  HD2     7,11                
  5 PHE  QR     31 ASP- HA      8,48                
  5 PHE  QR     34 CYS  QB      8,17                
  5 PHE  QR     35 SER  HN      8,48                
  5 PHE  QR     35 SER  HA      7,19                
  5 PHE  QR     35 SER  QB      9,36                
  5 PHE  HZ      9 TYR  HB2     6,00                
  5 PHE  HZ      9 TYR  QD      6,23                
  5 PHE  HZ      9 TYR  QE      7,87                
  5 PHE  HZ      9 TYR  HE2     4,80                
  5 PHE  HZ      9 TYR  HD2     3,43                
  5 PHE  HZ     31 ASP- HA      5,01                
  5 PHE  HD2     6 LYS+ HA      3,77                
  5 PHE  HD2     6 LYS+ QB      5,75                
  6 LYS+ HN      6 LYS+ HA      2,90                
  6 LYS+ HN      6 LYS+ QB      3,61                
  6 LYS+ HN      6 LYS+ QG      5,40                
  6 LYS+ HN      6 LYS+ QD      5,00                
  6 LYS+ HN      7 GLU- HN      2,93                
  6 LYS+ HA      6 LYS+ HG2     4,22                
  6 LYS+ HA      6 LYS+ HG3     4,22                
  6 LYS+ HA      6 LYS+ QG      3,96                
  6 LYS+ HA      6 LYS+ QD      6,88                
  6 LYS+ HA      7 GLU- HN      3,43                
  6 LYS+ HA      9 TYR  HN      3,46                
  6 LYS+ HA      9 TYR  HB2     3,66                
  6 LYS+ HA      9 TYR  HB3     2,93                
  6 LYS+ HA      9 TYR  QD      8,14                
  6 LYS+ HA     10 ASP- HN      3,69                
  6 LYS+ QB      7 GLU- HN      4,14                
  7 GLU- HN      7 GLU- HA      2,73                
  7 GLU- HN      7 GLU- QB      3,71                
  7 GLU- HN      7 GLU- QG      5,26                
  7 GLU- HN      9 TYR  HN      4,48                
  7 GLU- HA      7 GLU- QG      3,70                
  7 GLU- HA      8 CYS  HN      3,46                
  7 GLU- HA      9 TYR  HN      4,78                
  7 GLU- HA     10 ASP- HN      3,53                
  7 GLU- HA     10 ASP- HB2     4,32                
  7 GLU- HA     10 ASP- HB3     4,32                
  7 GLU- HA     10 ASP- QB      3,77                
  7 GLU- QB      8 CYS  HN      4,10                
  8 CYS  HN      8 CYS  HB2     2,77                
  8 CYS  HN      8 CYS  HB3     2,77                
  8 CYS  HN      9 TYR  HN      2,96                
  8 CYS  HA     12 CYS  HN      3,23                
  8 CYS  CB     34 CYS  SG      3,10                
  8 CYS  HB2     9 TYR  HN      3,39                
  8 CYS  HB3     9 TYR  HN      3,39                
  8 CYS  QB      9 TYR  HN      3,00                
  8 CYS  QB     34 CYS  QB      5,31                
  8 CYS  SG     34 CYS  CB      3,10                
  8 CYS  SG     34 CYS  SG      2,10                
  9 TYR  HN      9 TYR  HB2     2,77                
  9 TYR  HN      9 TYR  HB3     2,77                
  9 TYR  HN     10 ASP- HN      3,16                
  9 TYR  HN     34 CYS  QB      6,38                
  9 TYR  HA      9 TYR  HB2     2,70                
  9 TYR  HA     12 CYS  HN      3,62                
  9 TYR  HA     12 CYS  QB      3,94                
  9 TYR  HA     30 CYS  HB2     4,88                
  9 TYR  HA     30 CYS  HB3     2,70                
  9 TYR  HA     34 CYS  QB      6,88                
  9 TYR  HB2    10 ASP- HN      3,46                
  9 TYR  HB3    10 ASP- HN      3,26                
  9 TYR  QD     10 ASP- HN      6,69                
  9 TYR  QD     10 ASP- HA      6,09                
  9 TYR  QD     13 HIS  HD2     8,14                
  9 TYR  QD     27 GLU- HA      8,14                
  9 TYR  QD     30 CYS  HB2     6,52                
  9 TYR  QD     30 CYS  HB3     5,83                
  9 TYR  QD     31 ASP- HN      7,84                
  9 TYR  QD     31 ASP- HA      7,41                
  9 TYR  QD     31 ASP- HB2     8,14                
  9 TYR  QD     34 CYS  QB      8,95                
  9 TYR  QE     10 ASP- HA      8,13                
  9 TYR  QE     13 HIS  HD2     6,88                
  9 TYR  QE     27 GLU- HA      5,62                
  9 TYR  QE     27 GLU- QB      8,98                
  9 TYR  QE     30 CYS  HB2     6,35                
  9 TYR  QE     30 CYS  HB3     6,09                
  9 TYR  QE     31 ASP- HN      6,15                
  9 TYR  QE     31 ASP- HA      8,13                
  9 TYR  QE     31 ASP- HB2     6,28                
  9 TYR  HD1    10 ASP- HN      3,81                
  9 TYR  HD1    10 ASP- HA      3,31                
  9 TYR  HE1    10 ASP- HA      5,02                
  9 TYR  HE2    31 ASP- HN      3,36                
  9 TYR  HE2    31 ASP- HA      5,02                
  9 TYR  HE2    31 ASP- HB2     3,47                
  9 TYR  HD2    31 ASP- HN      4,78                
  9 TYR  HD2    31 ASP- HA      4,42                
  9 TYR  HD2    31 ASP- HB2     5,03                
  9 TYR  HD2    34 CYS  QB      5,71                
 10 ASP- HN     10 ASP- HA      2,90                
 10 ASP- HN     10 ASP- HB2     3,10                
 10 ASP- HN     10 ASP- HB3     3,10                
 10 ASP- HN     10 ASP- QB      2,77                
 10 ASP- HN     11 THR  HN      3,06                
 10 ASP- HN     12 CYS  HN      6,00                
 10 ASP- HA     13 HIS  HN      3,59                
 10 ASP- HA     13 HIS  HB2     3,69                
 10 ASP- HA     13 HIS  HB3     4,32                
 10 ASP- HA     14 LYS+ HN      4,61                
 10 ASP- HB2    11 THR  HN      3,36                
 10 ASP- HB3    11 THR  HN      3,36                
 10 ASP- QB     11 THR  HN      3,11                
 11 THR  HN     11 THR  HB      2,70                
 11 THR  HN     11 THR  QG2     4,62                
 11 THR  HN     12 CYS  HN      2,90                
 11 THR  HA     11 THR  QG2     3,79                
 11 THR  HA     12 CYS  HN      3,59                
 11 THR  HA     14 LYS+ HN      3,62                
 11 THR  HA     14 LYS+ QB      4,20                
 11 THR  HB     12 CYS  HN      3,23                
 11 THR  QG2    12 CYS  HN      5,01                
 12 CYS  HN     12 CYS  QB      3,58                
 12 CYS  HN     13 HIS  HN      2,96                
 12 CYS  HN     14 LYS+ HN      4,22                
 12 CYS  HA     13 HIS  HN      3,56                
 12 CYS  CB     30 CYS  SG      3,10                
 12 CYS  QB     13 HIS  HN      3,94                
 12 CYS  QB     30 CYS  HB2     6,25                
 12 CYS  QB     30 CYS  HB3     4,20                
 12 CYS  SG     30 CYS  CB      3,10                
 12 CYS  SG     30 CYS  SG      2,10                
 13 HIS  HN     13 HIS  HA      2,83                
 13 HIS  HN     13 HIS  HB2     2,70                
 13 HIS  HN     13 HIS  HB3     2,87                
 13 HIS  HN     14 LYS+ HN      2,96                
 13 HIS  HN     14 LYS+ QB      5,79                
 13 HIS  HA     13 HIS  HB3     2,93                
 13 HIS  HA     13 HIS  HD2     4,75                
 13 HIS  HA     14 LYS+ HN      3,62                
 13 HIS  HA     16 CYS  HN      3,62                
 13 HIS  HA     16 CYS  HB2     3,53                
 13 HIS  HA     16 CYS  HB3     2,73                
 13 HIS  HA     17 SER  HN      4,15                
 13 HIS  HA     26 CYS  HB2     5,14                
 13 HIS  HA     26 CYS  HB3     3,33                
 13 HIS  HB2    13 HIS  HD2     3,33                
 13 HIS  HB2    14 LYS+ HN      3,59                
 13 HIS  HB3    14 LYS+ HN      3,13                
 13 HIS  HD2    26 CYS  HB2     4,38                
 13 HIS  HD2    26 CYS  HB3     4,35                
 13 HIS  HD2    27 GLU- HN      5,44                
 13 HIS  HD2    27 GLU- HA      2,73                
 13 HIS  HD2    27 GLU- QB      4,93                
 13 HIS  HD2    30 CYS  HB2     5,08                
 14 LYS+ HN     14 LYS+ HA      2,83                
 14 LYS+ HN     14 LYS+ QB      3,58                
 14 LYS+ HN     14 LYS+ HG2     6,00                
 14 LYS+ HN     14 LYS+ HG3     6,00                
 14 LYS+ HN     14 LYS+ QG      5,52                
 14 LYS+ HN     15 GLU- HN      3,13                
 14 LYS+ HA     17 SER  HN      4,09                
 14 LYS+ HA     18 ASP- HN      5,08                
 14 LYS+ QB     15 GLU- HN      5,49                
 14 LYS+ HG2    15 GLU- HN      6,00                
 14 LYS+ HG3    15 GLU- HN      6,00                
 15 GLU- HN     15 GLU- HB2     2,80                
 15 GLU- HN     15 GLU- HB3     2,80                
 15 GLU- HN     15 GLU- HG2     4,98                
 15 GLU- HN     15 GLU- HG3     4,98                
 15 GLU- HN     15 GLU- QG      4,40                
 15 GLU- HN     16 CYS  HN      2,96                
 15 GLU- HA     18 ASP- HN      3,53                
 15 GLU- HA     18 ASP- HB2     3,62                
 15 GLU- HA     18 ASP- HB3     3,29                
 15 GLU- HB2    16 CYS  HN      4,78                
 15 GLU- HB3    16 CYS  HN      4,78                
 15 GLU- QB     16 CYS  HN      4,49                
 16 CYS  HN     16 CYS  HA      2,70                
 16 CYS  HN     16 CYS  HB2     2,70                
 16 CYS  HN     16 CYS  HB3     2,73                
 16 CYS  HN     17 SER  HN      2,87                
 16 CYS  CB     26 CYS  SG      3,10                
 16 CYS  HB2    17 SER  HN      3,46                
 16 CYS  HB2    26 CYS  HB3     4,91                
 16 CYS  HB3    17 SER  HN      3,00                
 16 CYS  HB3    26 CYS  HB2     5,11                
 16 CYS  HB3    26 CYS  HB3     3,33                
 16 CYS  SG     26 CYS  CB      3,10                
 16 CYS  SG     26 CYS  SG      2,10                
 17 SER  HN     17 SER  HB2     3,16                
 17 SER  HN     17 SER  HB3     3,16                
 17 SER  HN     17 SER  QB      2,95                
 17 SER  HN     18 ASP- HN      3,06                
 17 SER  HA     17 SER  HB2     3,00                
 17 SER  HA     17 SER  HB3     3,00                
 17 SER  HA     21 ASN  HN      3,39                
 17 SER  HB2    18 ASP- HN      3,59                
 17 SER  HB3    18 ASP- HN      3,59                
 17 SER  QB     18 ASP- HN      3,29                
 18 ASP- HN     18 ASP- HB2     3,16                
 18 ASP- HN     18 ASP- HB3     2,73                
 18 ASP- HN     19 LYS+ HN      3,06                
 18 ASP- HA     18 ASP- HB3     2,96                
 18 ASP- HB2    19 LYS+ HN      4,52                
 18 ASP- HB3    19 LYS+ HN      3,39                
 19 LYS+ HN     19 LYS+ HA      2,70                
 19 LYS+ HN     19 LYS+ HB2     3,10                
 19 LYS+ HN     19 LYS+ HB3     3,10                
 19 LYS+ HN     19 LYS+ QB      2,77                
 19 LYS+ HN     19 LYS+ HG2     3,59                
 19 LYS+ HN     19 LYS+ HG3     3,59                
 19 LYS+ HN     20 GLY  HN      2,87                
 19 LYS+ HA     19 LYS+ QG      3,46                
 19 LYS+ HA     20 GLY  HN      3,29                
 19 LYS+ HB2    20 GLY  HN      4,22                
 19 LYS+ HB2    21 ASN  HD21    5,68                
 19 LYS+ HB2    21 ASN  HD22    5,68                
 19 LYS+ HB3    20 GLY  HN      4,22                
 19 LYS+ HB3    21 ASN  HD21    5,68                
 19 LYS+ HB3    21 ASN  HD22    5,68                
 19 LYS+ QB     20 GLY  HN      3,99                
 19 LYS+ QB     21 ASN  HN      5,40                
 19 LYS+ QB     21 ASN  QD2     4,66                
 20 GLY  HN     20 GLY  HA1     2,70                
 20 GLY  HN     21 ASN  HN      2,87                
 20 GLY  HA1    21 ASN  HN      3,23                
 20 GLY  HA2    21 ASN  HN      3,49                
 21 ASN  HN     21 ASN  HB2     3,49                
 21 ASN  HN     21 ASN  HB3     3,49                
 21 ASN  HN     21 ASN  QB      3,01                
 21 ASN  HN     21 ASN  QD2     4,36                
 21 ASN  HN     22 GLY  HN      4,42                
 21 ASN  HA     21 ASN  HB2     2,77                
 21 ASN  HA     21 ASN  HB3     2,77                
 21 ASN  HA     22 GLY  HN      2,70                
 21 ASN  HB2    21 ASN  HD21    3,82                
 21 ASN  HB2    21 ASN  HD22    3,82                
 21 ASN  HB2    22 GLY  HN      3,76                
 21 ASN  HB2    25 PHE  QD      6,01                
 21 ASN  HB2    25 PHE  HD1     3,24                
 21 ASN  HB3    21 ASN  HD21    3,82                
 21 ASN  HB3    21 ASN  HD22    3,82                
 21 ASN  HB3    22 GLY  HN      3,76                
 21 ASN  HB3    25 PHE  QD      6,01                
 21 ASN  HB3    25 PHE  HD1     3,24                
 21 ASN  QB     22 GLY  HN      3,31                
 21 ASN  QB     25 PHE  HB2     6,88                
 21 ASN  QB     25 PHE  HB3     6,02                
 21 ASN  QB     25 PHE  QD      5,56                
 21 ASN  QB     25 PHE  HD1     2,79                
 22 GLY  HN     23 PHE  HN      5,44                
 22 GLY  HN     25 PHE  HB2     4,45                
 22 GLY  HN     25 PHE  HB3     3,59                
 22 GLY  HN     25 PHE  QD      8,12                
 22 GLY  HN     25 PHE  HD1     5,01                
 23 PHE  HN     23 PHE  HB2     3,43                
 23 PHE  HN     23 PHE  HB3     3,43                
 23 PHE  HN     23 PHE  QB      3,10                
 23 PHE  HA     26 CYS  HB2     4,28                
 23 PHE  HA     26 CYS  HB3     3,49                
 23 PHE  HB2    24 THR  HN      3,86                
 23 PHE  HB3    24 THR  HN      3,86                
 23 PHE  QB     24 THR  HN      3,61                
 23 PHE  QR     24 THR  HN      8,48                
 23 PHE  QR     24 THR  HA      8,48                
 23 PHE  QR     24 THR  QG2     9,24                
 23 PHE  QR     27 GLU- QB      9,23                
 23 PHE  QR     27 GLU- QG      9,36                
 24 THR  HN     24 THR  HB      2,90                
 24 THR  HN     24 THR  QG2     4,68                
 24 THR  HN     25 PHE  HN      3,20                
 24 THR  HA     27 GLU- HN      3,29                
 24 THR  HB     25 PHE  HN      2,90                
 24 THR  QG2    25 PHE  HN      5,21                
 24 THR  QG2    25 PHE  QE      8,59                
 24 THR  QG2    28 MET  HN      7,03                
 25 PHE  HN     25 PHE  HA      2,87                
 25 PHE  HN     25 PHE  HB2     2,77                
 25 PHE  HN     25 PHE  HB3     2,90                
 25 PHE  HN     26 CYS  HN      3,03                
 25 PHE  HA     25 PHE  HB2     2,70                
 25 PHE  HA     25 PHE  HB3     3,06                
 25 PHE  HA     28 MET  HN      4,02                
 25 PHE  HA     28 MET  QB      4,83                
 25 PHE  HA     29 LYS+ HN      6,00                
 25 PHE  HB2    26 CYS  HN      4,22                
 25 PHE  HB3    26 CYS  HN      3,06                
 25 PHE  QD     26 CYS  HN      6,57                
 25 PHE  QD     26 CYS  HA      6,04                
 25 PHE  QD     28 MET  QB      9,00                
 25 PHE  QD     29 LYS+ HB2     7,40                
 25 PHE  QD     29 LYS+ HB3     8,12                
 25 PHE  QD     29 LYS+ QG      9,00                
 25 PHE  QE     29 LYS+ HB2     6,08                
 25 PHE  QE     29 LYS+ HB3     8,12                
 25 PHE  QE     29 LYS+ HG2     7,69                
 25 PHE  QE     29 LYS+ HG3     7,69                
 25 PHE  QE     29 LYS+ QG      7,08                
 25 PHE  QE     29 LYS+ QD      7,28                
 25 PHE  HD1    26 CYS  HN      3,71                
 25 PHE  HD1    26 CYS  HA      3,27                
 26 CYS  HN     26 CYS  HA      2,70                
 26 CYS  HN     26 CYS  HB2     2,73                
 26 CYS  HN     26 CYS  HB3     3,20                
 26 CYS  HN     27 GLU- HN      3,06                
 26 CYS  HB2    27 GLU- HN      3,23                
 26 CYS  HB3    27 GLU- HN      3,59                
 27 GLU- HN     27 GLU- HA      2,83                
 27 GLU- HN     27 GLU- HB2     3,23                
 27 GLU- HN     27 GLU- HB3     3,23                
 27 GLU- HN     27 GLU- QG      4,37                
 27 GLU- HN     28 MET  HN      2,87                
 27 GLU- HA     30 CYS  HB2     5,44                
 27 GLU- HA     31 ASP- HN      4,75                
 27 GLU- QB     28 MET  HN      3,98                
 28 MET  HN     28 MET  HA      2,90                
 28 MET  HN     28 MET  QB      3,71                
 28 MET  HN     28 MET  QG      5,16                
 28 MET  HN     29 LYS+ HN      2,93                
 28 MET  HA     31 ASP- HN      3,89                
 28 MET  HA     31 ASP- HB3     3,72                
 28 MET  HA     32 THR  HN      6,00                
 28 MET  QB     29 LYS+ HN      3,68                
 28 MET  QB     32 THR  HN      6,88                
 29 LYS+ HN     29 LYS+ HB2     2,70                
 29 LYS+ HN     29 LYS+ HB3     2,70                
 29 LYS+ HN     29 LYS+ QG      6,06                
 29 LYS+ HA     29 LYS+ HB2     2,70                
 29 LYS+ HA     29 LYS+ HB3     3,00                
 29 LYS+ HA     29 LYS+ QG      3,87                
 29 LYS+ HA     30 CYS  HN      3,56                
 29 LYS+ HA     32 THR  HN      4,25                
 29 LYS+ HA     32 THR  HB      3,23                
 29 LYS+ HA     33 ASP- HN      5,01                
 29 LYS+ HB2    29 LYS+ QG      2,75                
 29 LYS+ HB2    29 LYS+ HE2     6,00                
 29 LYS+ HB2    29 LYS+ HE3     6,00                
 29 LYS+ HB2    29 LYS+ QE      5,18                
 29 LYS+ HB2    30 CYS  HN      3,46                
 29 LYS+ HB3    30 CYS  HN      3,10                
 29 LYS+ QG     30 CYS  HN      5,16                
 30 CYS  HN     30 CYS  HB2     3,33                
 30 CYS  HN     30 CYS  HB3     3,46                
 30 CYS  HN     31 ASP- HN      2,80                
 30 CYS  HN     32 THR  HN      4,75                
 30 CYS  HA     30 CYS  HB3     2,83                
 30 CYS  HA     33 ASP- HN      3,23                
 30 CYS  HA     33 ASP- HB2     3,20                
 30 CYS  HA     33 ASP- HB3     3,20                
 30 CYS  HA     33 ASP- QB      2,83                
 30 CYS  HA     34 CYS  HN      4,75                
 30 CYS  HB2    31 ASP- HN      3,46                
 30 CYS  HB3    31 ASP- HN      3,89                
 31 ASP- HN     31 ASP- HB2     2,70                
 31 ASP- HN     31 ASP- HB3     2,80                
 31 ASP- HN     32 THR  HN      2,87                
 31 ASP- HN     33 ASP- HN      6,00                
 31 ASP- HB2    32 THR  HN      3,26                
 31 ASP- HB3    32 THR  HN      3,00                
 32 THR  HN     32 THR  HA      2,93                
 32 THR  HN     32 THR  HB      2,70                
 32 THR  HN     32 THR  QG2     4,72                
 32 THR  HN     33 ASP- HN      2,93                
 32 THR  HA     32 THR  HB      3,03                
 32 THR  HA     33 ASP- HN      3,53                
 32 THR  HA     35 SER  HN      5,47                
 32 THR  QG2    33 ASP- HN      4,39                
 33 ASP- HN     33 ASP- HA      2,70                
 33 ASP- HN     33 ASP- HB2     3,23                
 33 ASP- HN     33 ASP- HB3     3,23                
 33 ASP- HN     33 ASP- QB      2,86                
 33 ASP- HN     34 CYS  HN      3,13                
 33 ASP- HA     33 ASP- QB      2,75                
 33 ASP- HB2    34 CYS  HN      3,86                
 33 ASP- HB3    34 CYS  HN      3,86                
 33 ASP- QB     34 CYS  HN      3,39                
 34 CYS  HN     34 CYS  QB      3,77                
 34 CYS  QB     35 SER  HN      5,09                
 35 SER  HN     36 VAL  HN      4,15                
 35 SER  HA     36 VAL  HN      2,70                
 36 VAL  HN     36 VAL  HA      2,70                
 36 VAL  HN     36 VAL  HB      2,77                
 36 VAL  HN     36 VAL  QG1     4,49                
 36 VAL  HN     36 VAL  QG2     4,49                
 36 VAL  HN     36 VAL  QQG     3,82                
 36 VAL  HN     37 LYS+ HN      4,35                
 36 VAL  HA     36 VAL  HB      2,90                
 36 VAL  HA     37 LYS+ HN      2,70                
 36 VAL  HB     37 LYS+ HN      3,46                
 36 VAL  QG1    37 LYS+ HN      7,03                
 36 VAL  QG2    37 LYS+ HN      7,03                
 36 VAL  QQG    37 LYS+ HN      5,61                
 37 LYS+ HN     37 LYS+ QB      3,74                
 37 LYS+ HN     37 LYS+ QG      4,63                
 38 ASP- HN     38 ASP- HB2     3,16                
 38 ASP- HN     38 ASP- HB3     3,16                
 38 ASP- HA     39 VAL  HN      2,70                
 38 ASP- HB2    39 VAL  HN      4,61                
 38 ASP- HB3    39 VAL  HN      4,61                
 38 ASP- QB     39 VAL  HN      4,22                
 39 VAL  HN     39 VAL  HB      2,87                
 39 VAL  HN     40 LYS+ HN      3,36                
 39 VAL  HA     40 LYS+ HN      2,80                
 39 VAL  HB     40 LYS+ HN      5,08                
 39 VAL  QQG    40 LYS+ HN      6,04                
 39 VAL  QQG    41 GLU- HN      7,23                
 40 LYS+ HN     40 LYS+ HA      2,70                
 40 LYS+ HN     40 LYS+ QG      5,89                
 40 LYS+ QB     41 GLU- HN      4,50                
 40 LYS+ QB     43 LEU  HN      6,12                
 41 GLU- HN     41 GLU- HB2     3,56                
 41 GLU- HN     41 GLU- HB3     3,56                
 41 GLU- HN     41 GLU- QB      3,17                
 41 GLU- HN     41 GLU- QG      6,84                
 41 GLU- HA     42 LYS+ HN      2,80                
 41 GLU- HB2    42 LYS+ HN      4,75                
 41 GLU- HB3    42 LYS+ HN      4,75                
 41 GLU- QB     42 LYS+ HN      4,27                
 42 LYS+ HN     42 LYS+ HB2     3,29                
 42 LYS+ HN     42 LYS+ HB3     3,29                
 42 LYS+ HN     42 LYS+ QB      3,07                
 42 LYS+ HN     42 LYS+ QG      6,39                
 42 LYS+ HA     43 LEU  HN      3,29                
 43 LEU  HN     43 LEU  HA      2,70                
 43 LEU  HN     43 LEU  HB2     3,89                
 43 LEU  HN     43 LEU  HB3     3,89                
 43 LEU  HN     43 LEU  QB      3,29                
 43 LEU  HN     43 LEU  HG      3,95                
 43 LEU  HN     43 LEU  QQD     8,60                
 43 LEU  HA     44 GLU- HN      3,23                
 43 LEU  HB2    44 GLU- HN      4,38                
 43 LEU  HB3    44 GLU- HN      4,38                
 43 LEU  QB     44 GLU- HN      4,05                
 44 GLU- HN     44 GLU- HB2     3,99                
 44 GLU- HN     44 GLU- HB3     3,99                
 44 GLU- HN     44 GLU- QB      3,43                
 44 GLU- HN     44 GLU- QG      6,22                
 45 ASN  QB     46 TYR  HN      4,11                
 46 TYR  HA     47 LYS+ HN      2,77                
 47 LYS+ HN     47 LYS+ HB2     3,82                
 47 LYS+ HN     47 LYS+ HB3     3,82                
 47 LYS+ HN     47 LYS+ QB      3,50                
 47 LYS+ HN     47 LYS+ QG      6,88                
 47 LYS+ HA     47 LYS+ QE      6,88                
 47 LYS+ QB     49 LYS+ HA      6,88                
 48 PRO  HA     49 LYS+ HN      2,77                
 49 LYS+ QB     50 ASN  QB      6,53                


   3 ALA   PHI    -200.0   -10.0
   4 GLN   PHI    -200.0   -10.0
   5 PHE   PHI    -200.0   -10.0
  19 LYS+  PHI    -200.0   -10.0
  21 ASN   PHI	-200.0   -10.0
  24 THR   PHI    -200.0   -10.0
  26 CYS   PHI    -200.0   -10.0
  30 CYS   PHI    -200.0   -10.0
  32 THR   PHI    -200.0   -10.0
  34 CYS   PHI    -200.0   -10.0
  35 SER   PHI    -200.0   -10.0
  36 VAL   PHI    -200.0   -10.0
  37 LYS+  PHI    -200.0   -10.0
  38 ASP-  PHI    -200.0   -10.0
  39 VAL   PHI    -200.0   -10.0
  40 LYS+  PHI    -200.0   -10.0
  41 GLU-  PHI    -200.0   -10.0
  42 LYS+  PHI    -200.0   -10.0
  43 LEU   PHI    -200.0   -10.0
  44 GLU-  PHI    -200.0   -10.0
  46 TYR   PHI    -200.0   -10.0
  47 LYS+  PHI    -200.0   -10.0
  49 LYS+  PHI    -200.0   -10.0
  50 ASN   PHI    -200.0   -10.0
   9 TYR   CHI2   -120.0   -60.0




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1           H1       ASP   1   1.059  -0.934   0.165
    2   2H    ASP   1           H2       ASP   1   0.483   0.589  -0.092
    3   3H    ASP   1           H3       ASP   1   1.891   0.351   0.788
    4    HA   ASP   1           HA       ASP   1   1.624   0.660  -1.971
    5   1HB   ASP   1          2HB       ASP   1   3.584   1.081   0.011
    6   2HB   ASP   1          3HB       ASP   1   4.259  -0.235  -0.940
    7    H    GLU   2           H        GLU   2   3.649  -0.877  -2.988
    8    HA   GLU   2           HA       GLU   2   3.835  -3.556  -2.576
    9   1HB   GLU   2          2HB       GLU   2   1.137  -2.992  -3.541
   10   2HB   GLU   2          3HB       GLU   2   1.996  -3.957  -4.719
   11   1HG   GLU   2          2HG       GLU   2   2.578  -5.625  -3.035
   12   2HG   GLU   2          3HG       GLU   2   1.894  -4.652  -1.740
   13    H    ALA   3           H        ALA   3   3.405  -0.968  -4.907
   14    HA   ALA   3           HA       ALA   3   4.641  -2.184  -7.146
   15   1HB   ALA   3          1HB       ALA   3   5.128   0.714  -6.824
   16   2HB   ALA   3          2HB       ALA   3   4.344  -0.175  -8.130
   17   3HB   ALA   3          3HB       ALA   3   3.424   0.257  -6.657
   18    H    GLN   4           H        GLN   4   6.085  -0.030  -4.618
   19    HA   GLN   4           HA       GLN   4   8.719  -0.022  -5.399
   20   1HB   GLN   4          2HB       GLN   4   7.330  -0.140  -2.719
   21   2HB   GLN   4          3HB       GLN   4   9.091  -0.275  -2.747
   22   1HG   GLN   4          2HG       GLN   4   9.388   1.806  -3.799
   23   2HG   GLN   4          3HG       GLN   4   7.676   1.993  -4.180
   24   1HE2  GLN   4          1HE2      GLN   4   9.485   3.813  -2.673
   25   2HE2  GLN   4          2HE2      GLN   4   8.656   3.943  -1.108
   26    H    PHE   5           H        PHE   5   7.016  -2.795  -4.175
   27    HA   PHE   5           HA       PHE   5   9.431  -4.507  -3.915
   28   1HB   PHE   5          2HB       PHE   5   7.372  -4.491  -2.306
   29   2HB   PHE   5          3HB       PHE   5   6.452  -5.152  -3.648
   30    HD1  PHE   5           HD1      PHE   5   8.821  -5.856  -1.055
   31    HD2  PHE   5           HD2      PHE   5   7.077  -7.393  -4.699
   32    HE1  PHE   5           HE1      PHE   5   9.510  -8.150  -0.453
   33    HE2  PHE   5           HE2      PHE   5   7.811  -9.670  -4.080
   34    HZ   PHE   5           HZ       PHE   5   9.108 -10.036  -1.997
   35    H    LYS   6           H        LYS   6   6.387  -4.169  -5.869
   36    HA   LYS   6           HA       LYS   6   6.796  -6.426  -7.582
   37   1HB   LYS   6          2HB       LYS   6   4.664  -5.107  -7.392
   38   2HB   LYS   6          3HB       LYS   6   5.445  -3.800  -8.307
   39   1HG   LYS   6          2HG       LYS   6   5.641  -5.091 -10.269
   40   2HG   LYS   6          3HG       LYS   6   5.315  -6.617  -9.427
   41   1HD   LYS   6          2HD       LYS   6   3.036  -6.257  -9.305
   42   2HD   LYS   6          3HD       LYS   6   3.196  -4.486  -9.343
   43   1HE   LYS   6          2HE       LYS   6   3.948  -4.615 -11.714
   44   2HE   LYS   6          3HE       LYS   6   3.657  -6.359 -11.715
   45   1HZ   LYS   6          1HZ       LYS   6   1.375  -6.022 -11.517
   46   2HZ   LYS   6          2HZ       LYS   6   1.514  -4.507 -10.900
   47   3HZ   LYS   6          3HZ       LYS   6   1.797  -4.763 -12.503
   48    H    GLU   7           H        GLU   7   8.269  -3.275  -7.558
   49    HA   GLU   7           HA       GLU   7   9.500  -3.653 -10.144
   50   1HB   GLU   7          2HB       GLU   7   9.252  -1.461  -8.260
   51   2HB   GLU   7          3HB       GLU   7  10.958  -1.746  -8.529
   52   1HG   GLU   7          2HG       GLU   7  10.561  -0.334 -10.288
   53   2HG   GLU   7          3HG       GLU   7  10.249  -1.859 -11.099
   54    H    CYS   8           H        CYS   8  10.383  -4.305  -6.794
   55    HA   CYS   8           HA       CYS   8  13.178  -4.902  -7.400
   56   1HB   CYS   8          2HB       CYS   8  11.834  -4.327  -5.090
   57   2HB   CYS   8          3HB       CYS   8  11.779  -6.076  -5.046
   58    H    TYR   9           H        TYR   9  10.169  -6.764  -6.901
   59    HA   TYR   9           HA       TYR   9  11.295  -9.339  -7.294
   60   1HB   TYR   9          2HB       TYR   9   8.947  -8.551  -6.471
   61   2HB   TYR   9          3HB       TYR   9   8.513  -8.403  -8.162
   62    HD1  TYR   9           HD1      TYR   9   8.496 -10.475  -9.641
   63    HD2  TYR   9           HD2      TYR   9   9.116 -10.662  -5.369
   64    HE1  TYR   9           HE1      TYR   9   7.841 -12.868  -9.635
   65    HE2  TYR   9           HE2      TYR   9   8.368 -13.007  -5.398
   66    HH   TYR   9           HH       TYR   9   7.406 -14.664  -6.555
   67    H    ASP  10           H        ASP  10   9.649  -7.206  -9.667
   68    HA   ASP  10           HA       ASP  10  10.027  -8.897 -11.922
   69   1HB   ASP  10          2HB       ASP  10   8.573  -6.704 -11.566
   70   2HB   ASP  10          3HB       ASP  10   9.999  -5.858 -12.141
   71    H    THR  11           H        THR  11  11.822  -6.045 -10.829
   72    HA   THR  11           HA       THR  11  13.884  -6.139 -12.794
   73    HB   THR  11           HB       THR  11  14.004  -4.918 -10.011
   74    HG1  THR  11           1HG      THR  11  12.378  -4.037 -11.080
   75   1HG2  THR  11          1HG2      THR  11  15.471  -4.071 -12.514
   76   2HG2  THR  11          2HG2      THR  11  15.599  -3.399 -10.867
   77   3HG2  THR  11          3HG2      THR  11  16.224  -5.029 -11.198
   78    H    CYS  12           H        CYS  12  13.752  -7.449  -9.436
   79    HA   CYS  12           HA       CYS  12  16.370  -8.526  -9.336
   80   1HB   CYS  12          2HB       CYS  12  14.948  -8.382  -7.355
   81   2HB   CYS  12          3HB       CYS  12  13.839  -9.589  -8.035
   82    H    HIS  13           H        HIS  13  13.262  -9.905 -10.574
   83    HA   HIS  13           HA       HIS  13  14.238 -12.410 -11.374
   84   1HB   HIS  13          2HB       HIS  13  11.813 -11.315 -11.477
   85   2HB   HIS  13          3HB       HIS  13  12.301 -10.991 -13.128
   86    HD1  HIS  13           HD1      HIS  13  12.775 -13.143 -14.659
   87    HD2  HIS  13           HD2      HIS  13  11.255 -13.832 -10.780
   88    HE1  HIS  13           HE1      HIS  13  11.990 -15.581 -14.617
   89    HE2  HIS  13           HE2      HIS  13  11.014 -15.996 -12.231
   90    H    LYS  14           H        LYS  14  14.392  -9.324 -13.075
   91    HA   LYS  14           HA       LYS  14  15.546 -10.271 -15.516
   92   1HB   LYS  14          2HB       LYS  14  14.640  -7.955 -15.115
   93   2HB   LYS  14          3HB       LYS  14  16.068  -7.604 -14.163
   94   1HG   LYS  14          2HG       LYS  14  16.758  -8.736 -16.795
   95   2HG   LYS  14          3HG       LYS  14  15.822  -7.240 -16.877
   96   1HD   LYS  14          2HD       LYS  14  17.618  -6.439 -15.008
   97   2HD   LYS  14          3HD       LYS  14  18.567  -7.751 -15.704
   98   1HE   LYS  14          2HE       LYS  14  17.413  -6.252 -17.880
   99   2HE   LYS  14          3HE       LYS  14  17.933  -5.072 -16.676
  100   1HZ   LYS  14          1HZ       LYS  14  19.875  -5.395 -17.829
  101   2HZ   LYS  14          2HZ       LYS  14  20.076  -6.569 -16.693
  102   3HZ   LYS  14          3HZ       LYS  14  19.562  -6.981 -18.191
  103    H    GLU  15           H        GLU  15  17.304  -8.912 -12.677
  104    HA   GLU  15           HA       GLU  15  19.906  -9.880 -13.620
  105   1HB   GLU  15          2HB       GLU  15  19.710  -7.904 -12.196
  106   2HB   GLU  15          3HB       GLU  15  18.970  -8.864 -10.908
  107   1HG   GLU  15          2HG       GLU  15  21.027 -10.159 -10.626
  108   2HG   GLU  15          3HG       GLU  15  21.742  -9.403 -12.061
  109    H    CYS  16           H        CYS  16  17.233 -11.413 -12.154
  110    HA   CYS  16           HA       CYS  16  18.708 -13.407 -10.766
  111   1HB   CYS  16          2HB       CYS  16  16.395 -12.738 -10.187
  112   2HB   CYS  16          3HB       CYS  16  15.838 -13.567 -11.642
  113    H    SER  17           H        SER  17  16.546 -13.638 -13.614
  114    HA   SER  17           HA       SER  17  17.293 -16.174 -14.569
  115   1HB   SER  17          2HB       SER  17  15.688 -14.052 -15.494
  116   2HB   SER  17          3HB       SER  17  16.913 -14.285 -16.739
  117    HG   SER  17           HG       SER  17  15.323 -15.690 -17.229
  118    H    ASP  18           H        ASP  18  19.076 -13.140 -14.722
  119    HA   ASP  18           HA       ASP  18  21.007 -13.652 -16.742
  120   1HB   ASP  18          2HB       ASP  18  21.028 -11.486 -15.773
  121   2HB   ASP  18          3HB       ASP  18  21.007 -12.143 -14.162
  122    H    LYS  19           H        LYS  19  20.802 -14.873 -13.370
  123    HA   LYS  19           HA       LYS  19  23.330 -16.068 -13.342
  124   1HB   LYS  19          2HB       LYS  19  20.913 -16.028 -11.640
  125   2HB   LYS  19          3HB       LYS  19  21.520 -17.607 -11.738
  126   1HG   LYS  19          2HG       LYS  19  23.663 -15.575 -11.355
  127   2HG   LYS  19          3HG       LYS  19  22.391 -15.377 -10.179
  128   1HD   LYS  19          2HD       LYS  19  23.197 -18.220 -10.557
  129   2HD   LYS  19          3HD       LYS  19  24.532 -17.179 -10.057
  130   1HE   LYS  19          2HE       LYS  19  23.266 -16.367  -8.135
  131   2HE   LYS  19          3HE       LYS  19  21.817 -17.225  -8.696
  132   1HZ   LYS  19          1HZ       LYS  19  23.552 -19.224  -8.599
  133   2HZ   LYS  19          2HZ       LYS  19  24.201 -18.312  -7.396
  134   3HZ   LYS  19          3HZ       LYS  19  22.636 -18.836  -7.300
  135    H    GLY  20           H        GLY  20  20.748 -16.799 -15.261
  136   1HA   GLY  20          2HA       GLY  20  20.543 -18.332 -16.941
  137   2HA   GLY  20          3HA       GLY  20  21.953 -19.206 -16.326
  138    H    ASN  21           H        ASN  21  19.604 -18.505 -13.957
  139    HA   ASN  21           HA       ASN  21  18.926 -21.320 -13.577
  140   1HB   ASN  21          2HB       ASN  21  17.592 -20.312 -11.652
  141   2HB   ASN  21          3HB       ASN  21  19.325 -20.142 -11.530
  142   1HD2  ASN  21          1HD2      ASN  21  18.486 -18.450  -9.927
  143   2HD2  ASN  21          2HD2      ASN  21  18.206 -16.862 -10.719
  144    H    GLY  22           H        GLY  22  16.506 -21.498 -12.863
  145   1HA   GLY  22          2HA       GLY  22  14.928 -21.011 -15.318
  146   2HA   GLY  22          3HA       GLY  22  14.442 -22.015 -13.934
  147    H    PHE  23           H        PHE  23  12.883 -20.072 -15.291
  148    HA   PHE  23           HA       PHE  23  12.646 -17.594 -13.983
  149   1HB   PHE  23          2HB       PHE  23  11.476 -18.437 -16.094
  150   2HB   PHE  23          3HB       PHE  23  10.359 -19.314 -15.062
  151    HD1  PHE  23           HD1      PHE  23  10.702 -16.436 -16.941
  152    HD2  PHE  23           HD2      PHE  23   9.224 -17.657 -13.043
  153    HE1  PHE  23           HE1      PHE  23   9.302 -14.390 -16.775
  154    HE2  PHE  23           HE2      PHE  23   7.886 -15.629 -12.920
  155    HZ   PHE  23           HZ       PHE  23   7.922 -13.986 -14.745
  156    H    THR  24           H        THR  24  10.714 -20.517 -13.377
  157    HA   THR  24           HA       THR  24   9.234 -19.698 -11.159
  158    HB   THR  24           HB       THR  24  10.151 -22.308 -12.262
  159    HG1  THR  24           1HG      THR  24   8.132 -21.415 -12.769
  160   1HG2  THR  24          1HG2      THR  24   9.073 -23.570 -10.354
  161   2HG2  THR  24          2HG2      THR  24  10.648 -22.915  -9.965
  162   3HG2  THR  24          3HG2      THR  24   9.183 -22.081  -9.389
  163    H    PHE  25           H        PHE  25  12.280 -21.591 -10.877
  164    HA   PHE  25           HA       PHE  25  12.664 -21.249  -8.136
  165   1HB   PHE  25          2HB       PHE  25  14.027 -22.758  -9.451
  166   2HB   PHE  25          3HB       PHE  25  14.570 -21.444 -10.500
  167    HD1  PHE  25           HD1      PHE  25  16.401 -20.019  -9.930
  168    HD2  PHE  25           HD2      PHE  25  14.857 -22.807  -7.039
  169    HE1  PHE  25           HE1      PHE  25  18.431 -19.688  -8.525
  170    HE2  PHE  25           HE2      PHE  25  16.844 -22.439  -5.616
  171    HZ   PHE  25           HZ       PHE  25  18.639 -20.894  -6.355
  172    H    CYS  26           H        CYS  26  13.455 -18.974 -10.808
  173    HA   CYS  26           HA       CYS  26  14.894 -17.166  -9.216
  174   1HB   CYS  26          2HB       CYS  26  13.771 -17.247 -11.947
  175   2HB   CYS  26          3HB       CYS  26  13.612 -15.684 -11.194
  176    H    GLU  27           H        GLU  27  11.429 -17.664  -9.800
  177    HA   GLU  27           HA       GLU  27  10.529 -15.184  -8.669
  178   1HB   GLU  27          2HB       GLU  27   9.344 -17.613  -9.870
  179   2HB   GLU  27          3HB       GLU  27   8.574 -17.222  -8.346
  180   1HG   GLU  27          2HG       GLU  27   8.764 -14.755  -9.599
  181   2HG   GLU  27          3HG       GLU  27   8.666 -15.802 -10.942
  182    H    MET  28           H        MET  28  10.258 -18.514  -7.394
  183    HA   MET  28           HA       MET  28   9.589 -17.831  -4.784
  184   1HB   MET  28          2HB       MET  28  10.530 -20.203  -6.176
  185   2HB   MET  28          3HB       MET  28  11.504 -20.038  -4.728
  186   1HG   MET  28          2HG       MET  28   8.922 -19.531  -3.792
  187   2HG   MET  28          3HG       MET  28   8.675 -20.753  -5.030
  188   1HE   MET  28          1HE       MET  28  10.756 -20.124  -1.463
  189   2HE   MET  28          2HE       MET  28   9.004 -19.944  -1.712
  190   3HE   MET  28          3HE       MET  28   9.623 -21.349  -0.823
  191    H    LYS  29           H        LYS  29  12.631 -17.462  -6.293
  192    HA   LYS  29           HA       LYS  29  14.082 -17.004  -3.779
  193   1HB   LYS  29          2HB       LYS  29  15.040 -18.179  -5.903
  194   2HB   LYS  29          3HB       LYS  29  15.209 -16.563  -6.553
  195   1HG   LYS  29          2HG       LYS  29  16.193 -16.899  -3.729
  196   2HG   LYS  29          3HG       LYS  29  16.954 -17.979  -4.889
  197   1HD   LYS  29          2HD       LYS  29  17.175 -15.718  -6.319
  198   2HD   LYS  29          3HD       LYS  29  17.021 -14.957  -4.727
  199   1HE   LYS  29          2HE       LYS  29  19.065 -15.668  -4.041
  200   2HE   LYS  29          3HE       LYS  29  18.881 -17.268  -4.781
  201   1HZ   LYS  29          1HZ       LYS  29  20.461 -15.332  -5.777
  202   2HZ   LYS  29          2HZ       LYS  29  19.780 -16.546  -6.710
  203   3HZ   LYS  29          3HZ       LYS  29  19.101 -15.047  -6.633
  204    H    CYS  30           H        CYS  30  13.578 -15.066  -6.764
  205    HA   CYS  30           HA       CYS  30  14.313 -12.550  -5.882
  206   1HB   CYS  30          2HB       CYS  30  12.173 -13.502  -7.774
  207   2HB   CYS  30          3HB       CYS  30  12.430 -11.804  -7.473
  208    H    ASP  31           H        ASP  31  11.395 -14.411  -5.157
  209    HA   ASP  31           HA       ASP  31   9.810 -12.400  -3.988
  210   1HB   ASP  31          2HB       ASP  31   9.379 -15.024  -4.556
  211   2HB   ASP  31          3HB       ASP  31   9.861 -15.257  -2.915
  212    H    THR  32           H        THR  32  11.846 -14.820  -2.419
  213    HA   THR  32           HA       THR  32  11.793 -13.379   0.135
  214    HB   THR  32           HB       THR  32  12.934 -15.950  -0.904
  215    HG1  THR  32           1HG      THR  32  11.881 -16.658   0.905
  216   1HG2  THR  32          1HG2      THR  32  13.846 -14.779   1.749
  217   2HG2  THR  32          2HG2      THR  32  14.229 -16.404   1.096
  218   3HG2  THR  32          3HG2      THR  32  14.890 -14.973   0.330
  219    H    ASP  33           H        ASP  33  13.709 -13.160  -2.728
  220    HA   ASP  33           HA       ASP  33  16.199 -12.342  -1.737
  221   1HB   ASP  33          2HB       ASP  33  15.849 -12.818  -4.117
  222   2HB   ASP  33          3HB       ASP  33  14.706 -11.476  -4.212
  223    H    CYS  34           H        CYS  34  13.766 -10.166  -3.134
  224    HA   CYS  34           HA       CYS  34  14.794  -7.922  -1.622
  225   1HB   CYS  34          2HB       CYS  34  12.390  -8.184  -3.460
  226   2HB   CYS  34          3HB       CYS  34  12.901  -6.694  -2.685
  227    H    SER  35           H        SER  35  14.270  -9.409   0.239
  228    HA   SER  35           HA       SER  35  12.314  -8.188   1.854
  229   1HB   SER  35          2HB       SER  35  11.246 -10.282   0.272
  230   2HB   SER  35          3HB       SER  35  11.293 -10.912   1.920
  231    HG   SER  35           HG       SER  35  10.145  -9.134   2.626
  232    H    VAL  36           H        VAL  36  12.614  -8.893   4.105
  233    HA   VAL  36           HA       VAL  36  14.962 -10.440   4.662
  234    HB   VAL  36           HB       VAL  36  13.102  -9.524   6.799
  235   1HG1  VAL  36          1HG1      VAL  36  15.687  -8.757   7.480
  236   2HG1  VAL  36          2HG1      VAL  36  14.913 -10.267   7.961
  237   3HG1  VAL  36          3HG1      VAL  36  15.985 -10.219   6.545
  238   1HG2  VAL  36          1HG2      VAL  36  14.642  -7.706   4.946
  239   2HG2  VAL  36          2HG2      VAL  36  12.981  -7.563   5.572
  240   3HG2  VAL  36          3HG2      VAL  36  14.353  -7.227   6.630
  241    H    LYS  37           H        LYS  37  14.453 -11.847   6.882
  242    HA   LYS  37           HA       LYS  37  12.188 -13.410   7.002
  243   1HB   LYS  37          2HB       LYS  37  13.585 -14.134   4.639
  244   2HB   LYS  37          3HB       LYS  37  14.173 -15.298   5.771
  245   1HG   LYS  37          2HG       LYS  37  11.443 -15.352   6.352
  246   2HG   LYS  37          3HG       LYS  37  11.430 -14.817   4.665
  247   1HD   LYS  37          2HD       LYS  37  13.132 -16.811   4.315
  248   2HD   LYS  37          3HD       LYS  37  12.534 -17.371   5.888
  249   1HE   LYS  37          2HE       LYS  37  10.425 -16.524   3.959
  250   2HE   LYS  37          3HE       LYS  37  11.403 -17.862   3.367
  251   1HZ   LYS  37          1HZ       LYS  37  10.536 -18.135   6.119
  252   2HZ   LYS  37          2HZ       LYS  37   9.316 -18.177   5.012
  253   3HZ   LYS  37          3HZ       LYS  37  10.559 -19.256   4.922
  254    H    ASP  38           H        ASP  38  13.650 -15.953   7.551
  255    HA   ASP  38           HA       ASP  38  15.316 -15.202   9.852
  256   1HB   ASP  38          2HB       ASP  38  12.633 -15.864  10.222
  257   2HB   ASP  38          3HB       ASP  38  13.388 -17.444  10.287
  258    H    VAL  39           H        VAL  39  17.119 -16.326   9.684
  259    HA   VAL  39           HA       VAL  39  17.141 -19.164   8.920
  260    HB   VAL  39           HB       VAL  39  18.384 -16.989   7.218
  261   1HG1  VAL  39          1HG1      VAL  39  19.616 -19.609   7.879
  262   2HG1  VAL  39          2HG1      VAL  39  19.458 -19.304   6.146
  263   3HG1  VAL  39          3HG1      VAL  39  20.307 -18.144   7.177
  264   1HG2  VAL  39          1HG2      VAL  39  16.778 -19.496   6.616
  265   2HG2  VAL  39          2HG2      VAL  39  16.270 -17.807   6.402
  266   3HG2  VAL  39          3HG2      VAL  39  17.523 -18.462   5.370
  267    H    LYS  40           H        LYS  40  17.604 -19.323  11.105
  268    HA   LYS  40           HA       LYS  40  19.652 -18.077  12.528
  269   1HB   LYS  40          2HB       LYS  40  18.742 -20.995  12.635
  270   2HB   LYS  40          3HB       LYS  40  19.870 -20.274  13.783
  271   1HG   LYS  40          2HG       LYS  40  17.892 -18.394  13.892
  272   2HG   LYS  40          3HG       LYS  40  16.918 -19.806  13.457
  273   1HD   LYS  40          2HD       LYS  40  17.818 -21.026  15.411
  274   2HD   LYS  40          3HD       LYS  40  18.882 -19.658  15.794
  275   1HE   LYS  40          2HE       LYS  40  17.269 -18.679  16.996
  276   2HE   LYS  40          3HE       LYS  40  16.299 -18.528  15.531
  277   1HZ   LYS  40          1HZ       LYS  40  15.873 -21.079  16.159
  278   2HZ   LYS  40          2HZ       LYS  40  16.049 -20.454  17.678
  279   3HZ   LYS  40          3HZ       LYS  40  14.900 -19.856  16.650
  280    H    GLU  41           H        GLU  41  21.824 -18.462  12.931
  281    HA   GLU  41           HA       GLU  41  23.363 -18.820  10.659
  282   1HB   GLU  41          2HB       GLU  41  23.890 -17.874  13.085
  283   2HB   GLU  41          3HB       GLU  41  24.543 -19.484  13.361
  284   1HG   GLU  41          2HG       GLU  41  26.274 -19.227  11.820
  285   2HG   GLU  41          3HG       GLU  41  25.387 -18.078  10.826
  286    H    LYS  42           H        LYS  42  25.250 -20.469  10.535
  287    HA   LYS  42           HA       LYS  42  24.082 -23.210  10.830
  288   1HB   LYS  42          2HB       LYS  42  24.241 -22.558   8.485
  289   2HB   LYS  42          3HB       LYS  42  25.928 -22.086   8.705
  290   1HG   LYS  42          2HG       LYS  42  26.152 -24.236   7.793
  291   2HG   LYS  42          3HG       LYS  42  26.274 -24.567   9.520
  292   1HD   LYS  42          2HD       LYS  42  23.727 -24.940   9.477
  293   2HD   LYS  42          3HD       LYS  42  23.880 -25.000   7.710
  294   1HE   LYS  42          2HE       LYS  42  24.986 -27.020   7.740
  295   2HE   LYS  42          3HE       LYS  42  25.900 -26.607   9.194
  296   1HZ   LYS  42          1HZ       LYS  42  23.480 -28.089   9.019
  297   2HZ   LYS  42          2HZ       LYS  42  24.513 -27.895  10.301
  298   3HZ   LYS  42          3HZ       LYS  42  23.313 -26.807  10.041
  299    H    LEU  43           H        LEU  43  24.807 -23.187  12.963
  300    HA   LEU  43           HA       LEU  43  27.378 -22.818  13.888
  301   1HB   LEU  43          2HB       LEU  43  26.833 -24.124  15.738
  302   2HB   LEU  43          3HB       LEU  43  25.269 -23.606  15.150
  303    HG   LEU  43           HG       LEU  43  25.582 -26.031  13.796
  304   1HD1  LEU  43          1HD1      LEU  43  27.728 -26.408  15.165
  305   2HD1  LEU  43          2HD1      LEU  43  26.692 -26.503  16.588
  306   3HD1  LEU  43          3HD1      LEU  43  26.514 -27.677  15.258
  307   1HD2  LEU  43          1HD2      LEU  43  24.115 -26.982  15.580
  308   2HD2  LEU  43          2HD2      LEU  43  24.305 -25.446  16.458
  309   3HD2  LEU  43          3HD2      LEU  43  23.567 -25.465  14.837
  310    H    GLU  44           H        GLU  44  29.187 -24.301  14.320
  311    HA   GLU  44           HA       GLU  44  29.440 -26.682  12.755
  312   1HB   GLU  44          2HB       GLU  44  30.157 -24.125  11.534
  313   2HB   GLU  44          3HB       GLU  44  31.629 -25.031  11.812
  314   1HG   GLU  44          2HG       GLU  44  31.119 -26.661  10.303
  315   2HG   GLU  44          3HG       GLU  44  29.407 -26.677  10.683
  316    H    ASN  45           H        ASN  45  31.957 -27.169  12.738
  317    HA   ASN  45           HA       ASN  45  33.678 -26.365  14.665
  318   1HB   ASN  45          2HB       ASN  45  31.431 -27.837  15.892
  319   2HB   ASN  45          3HB       ASN  45  32.911 -28.728  16.113
  320   1HD2  ASN  45          1HD2      ASN  45  31.809 -27.966  18.322
  321   2HD2  ASN  45          2HD2      ASN  45  32.670 -26.561  18.978
  322    H    TYR  46           H        TYR  46  35.394 -27.897  15.088
  323    HA   TYR  46           HA       TYR  46  35.480 -30.323  13.409
  324   1HB   TYR  46          2HB       TYR  46  37.661 -29.376  12.421
  325   2HB   TYR  46          3HB       TYR  46  36.161 -28.732  11.798
  326    HD1  TYR  46           HD1      TYR  46  39.359 -27.853  13.103
  327    HD2  TYR  46           HD2      TYR  46  35.282 -26.454  12.852
  328    HE1  TYR  46           HE1      TYR  46  40.081 -25.499  13.608
  329    HE2  TYR  46           HE2      TYR  46  35.992 -24.202  13.521
  330    HH   TYR  46           HH       TYR  46  38.909 -23.460  14.817
  331    H    LYS  47           H        LYS  47  37.777 -31.235  13.593
  332    HA   LYS  47           HA       LYS  47  38.755 -30.903  16.393
  333   1HB   LYS  47          2HB       LYS  47  37.321 -32.981  15.916
  334   2HB   LYS  47          3HB       LYS  47  38.710 -33.588  15.020
  335   1HG   LYS  47          2HG       LYS  47  39.590 -32.460  17.589
  336   2HG   LYS  47          3HG       LYS  47  38.241 -33.559  17.868
  337   1HD   LYS  47          2HD       LYS  47  39.430 -35.355  16.668
  338   2HD   LYS  47          3HD       LYS  47  40.721 -34.225  16.222
  339   1HE   LYS  47          2HE       LYS  47  41.768 -35.021  18.062
  340   2HE   LYS  47          3HE       LYS  47  40.771 -33.823  18.888
  341   1HZ   LYS  47          1HZ       LYS  47  40.701 -36.634  19.153
  342   2HZ   LYS  47          2HZ       LYS  47  39.843 -35.517  20.006
  343   3HZ   LYS  47          3HZ       LYS  47  39.237 -36.134  18.607
  344    HA   PRO  48           HA       PRO  48  42.171 -30.151  13.443
  345   1HB   PRO  48          2HB       PRO  48  43.252 -27.994  14.846
  346   2HB   PRO  48          3HB       PRO  48  42.052 -27.883  13.526
  347   1HG   PRO  48          2HG       PRO  48  41.641 -27.489  16.448
  348   2HG   PRO  48          3HG       PRO  48  40.663 -26.936  15.086
  349   1HD   PRO  48          2HD       PRO  48  40.152 -29.163  16.775
  350   2HD   PRO  48          3HD       PRO  48  39.238 -28.666  15.329
  351    H    LYS  49           H        LYS  49  44.055 -31.119  13.684
  352    HA   LYS  49           HA       LYS  49  44.696 -32.724  15.900
  353   1HB   LYS  49          2HB       LYS  49  45.713 -32.520  13.377
  354   2HB   LYS  49          3HB       LYS  49  46.946 -31.602  14.226
  355   1HG   LYS  49          2HG       LYS  49  46.352 -34.052  15.717
  356   2HG   LYS  49          3HG       LYS  49  46.601 -34.471  14.035
  357   1HD   LYS  49          2HD       LYS  49  48.553 -32.685  15.548
  358   2HD   LYS  49          3HD       LYS  49  48.615 -34.457  15.627
  359   1HE   LYS  49          2HE       LYS  49  49.988 -34.291  13.878
  360   2HE   LYS  49          3HE       LYS  49  48.475 -34.218  12.966
  361   1HZ   LYS  49          1HZ       LYS  49  49.964 -32.388  12.349
  362   2HZ   LYS  49          2HZ       LYS  49  48.642 -31.758  13.109
  363   3HZ   LYS  49          3HZ       LYS  49  50.045 -31.870  13.918
  364    H    ASN  50           H        ASN  50  46.729 -32.527  17.253
  365    HA   ASN  50           HA       ASN  50  46.522 -30.328  19.040
  366   1HB   ASN  50          2HB       ASN  50  48.669 -31.128  19.947
  367   2HB   ASN  50          3HB       ASN  50  47.569 -32.477  19.682
  368   1HD2  ASN  50          1HD2      ASN  50  48.293 -34.145  18.473
  369   2HD2  ASN  50          2HD2      ASN  50  49.780 -34.013  17.488
  Start of MODEL    2
    1   1H    ASP   1           H1       ASP   1   1.397   0.833   0.451
    2   2H    ASP   1           H2       ASP   1   1.570  -0.801   0.588
    3   3H    ASP   1           H3       ASP   1   0.271  -0.144  -0.231
    4    HA   ASP   1           HA       ASP   1   2.772  -0.830  -1.276
    5   1HB   ASP   1          2HB       ASP   1   0.170   0.304  -2.308
    6   2HB   ASP   1          3HB       ASP   1   1.578   0.223  -3.379
    7    H    GLU   2           H        GLU   2   4.111   0.825   0.167
    8    HA   GLU   2           HA       GLU   2   3.967   3.576  -0.189
    9   1HB   GLU   2          2HB       GLU   2   5.947   1.599   0.579
   10   2HB   GLU   2          3HB       GLU   2   6.723   2.855  -0.369
   11   1HG   GLU   2          2HG       GLU   2   6.187   4.571   1.113
   12   2HG   GLU   2          3HG       GLU   2   4.835   3.691   1.839
   13    H    ALA   3           H        ALA   3   4.865   1.221  -2.589
   14    HA   ALA   3           HA       ALA   3   6.227   2.792  -4.495
   15   1HB   ALA   3          1HB       ALA   3   5.856   0.302  -4.586
   16   2HB   ALA   3          2HB       ALA   3   4.167   0.638  -5.053
   17   3HB   ALA   3          3HB       ALA   3   5.496   1.174  -6.099
   18    H    GLN   4           H        GLN   4   2.640   2.298  -4.195
   19    HA   GLN   4           HA       GLN   4   1.728   3.858  -6.272
   20   1HB   GLN   4          2HB       GLN   4  -0.323   3.894  -5.168
   21   2HB   GLN   4          3HB       GLN   4   0.456   2.486  -4.449
   22   1HG   GLN   4          2HG       GLN   4   1.219   4.140  -2.563
   23   2HG   GLN   4          3HG       GLN   4   0.120   5.283  -3.280
   24   1HE2  GLN   4          1HE2      GLN   4  -1.783   5.407  -2.265
   25   2HE2  GLN   4          2HE2      GLN   4  -2.541   4.003  -1.479
   26    H    PHE   5           H        PHE   5   3.187   4.935  -3.299
   27    HA   PHE   5           HA       PHE   5   2.608   7.807  -3.728
   28   1HB   PHE   5          2HB       PHE   5   2.459   6.569  -1.434
   29   2HB   PHE   5          3HB       PHE   5   4.213   6.429  -1.529
   30    HD1  PHE   5           HD1      PHE   5   1.495   8.968  -1.762
   31    HD2  PHE   5           HD2      PHE   5   5.626   8.149  -0.784
   32    HE1  PHE   5           HE1      PHE   5   1.743  11.252  -0.836
   33    HE2  PHE   5           HE2      PHE   5   5.846  10.438   0.167
   34    HZ   PHE   5           HZ       PHE   5   3.958  11.964   0.106
   35    H    LYS   6           H        LYS   6   5.329   5.496  -3.570
   36    HA   LYS   6           HA       LYS   6   7.490   7.300  -3.950
   37   1HB   LYS   6          2HB       LYS   6   7.685   4.815  -3.435
   38   2HB   LYS   6          3HB       LYS   6   7.268   4.508  -5.134
   39   1HG   LYS   6          2HG       LYS   6   9.276   5.914  -5.803
   40   2HG   LYS   6          3HG       LYS   6   9.703   5.991  -4.084
   41   1HD   LYS   6          2HD       LYS   6   9.598   3.355  -4.224
   42   2HD   LYS   6          3HD       LYS   6   9.601   3.618  -5.975
   43   1HE   LYS   6          2HE       LYS   6  11.864   3.547  -5.729
   44   2HE   LYS   6          3HE       LYS   6  11.652   5.257  -5.347
   45   1HZ   LYS   6          1HZ       LYS   6  11.687   4.741  -3.023
   46   2HZ   LYS   6          2HZ       LYS   6  11.638   3.120  -3.293
   47   3HZ   LYS   6          3HZ       LYS   6  12.987   3.984  -3.684
   48    H    GLU   7           H        GLU   7   5.142   6.079  -6.232
   49    HA   GLU   7           HA       GLU   7   6.482   7.244  -8.516
   50   1HB   GLU   7          2HB       GLU   7   4.210   5.508  -8.083
   51   2HB   GLU   7          3HB       GLU   7   3.638   6.903  -8.983
   52   1HG   GLU   7          2HG       GLU   7   6.066   5.212  -9.714
   53   2HG   GLU   7          3HG       GLU   7   4.460   5.015 -10.418
   54    H    CYS   8           H        CYS   8   4.014   8.325  -6.232
   55    HA   CYS   8           HA       CYS   8   3.383  10.743  -7.755
   56   1HB   CYS   8          2HB       CYS   8   2.116   9.426  -5.739
   57   2HB   CYS   8          3HB       CYS   8   3.027  10.584  -4.792
   58    H    TYR   9           H        TYR   9   5.480   9.923  -4.976
   59    HA   TYR   9           HA       TYR   9   6.513  12.516  -4.551
   60   1HB   TYR   9          2HB       TYR   9   6.698  10.297  -3.183
   61   2HB   TYR   9          3HB       TYR   9   8.026   9.870  -4.233
   62    HD1  TYR   9           HD1      TYR   9  10.141  11.295  -4.231
   63    HD2  TYR   9           HD2      TYR   9   6.907  11.846  -1.420
   64    HE1  TYR   9           HE1      TYR   9  11.675  12.469  -2.691
   65    HE2  TYR   9           HE2      TYR   9   8.487  13.017   0.116
   66    HH   TYR   9           HH       TYR   9  10.690  14.462  -0.328
   67    H    ASP  10           H        ASP  10   7.890   9.846  -6.494
   68    HA   ASP  10           HA       ASP  10  10.174  11.278  -7.423
   69   1HB   ASP  10          2HB       ASP  10   9.526   8.707  -7.532
   70   2HB   ASP  10          3HB       ASP  10   8.807   9.110  -9.077
   71    H    THR  11           H        THR  11   7.061  10.536  -9.031
   72    HA   THR  11           HA       THR  11   7.467  12.077 -11.342
   73    HB   THR  11           HB       THR  11   4.844  11.190 -10.056
   74    HG1  THR  11           1HG      THR  11   5.319   9.365 -11.281
   75   1HG2  THR  11          1HG2      THR  11   4.121  11.171 -12.498
   76   2HG2  THR  11          2HG2      THR  11   4.179  12.767 -11.724
   77   3HG2  THR  11          3HG2      THR  11   5.500  12.249 -12.813
   78    H    CYS  12           H        CYS  12   5.850  12.930  -8.248
   79    HA   CYS  12           HA       CYS  12   5.040  15.553  -8.946
   80   1HB   CYS  12          2HB       CYS  12   4.268  14.453  -6.895
   81   2HB   CYS  12          3HB       CYS  12   5.907  14.503  -6.227
   82    H    HIS  13           H        HIS  13   8.122  14.290  -7.522
   83    HA   HIS  13           HA       HIS  13   9.498  16.720  -7.333
   84   1HB   HIS  13          2HB       HIS  13  10.208  14.238  -6.749
   85   2HB   HIS  13          3HB       HIS  13  10.943  14.317  -8.333
   86    HD1  HIS  13           HD1      HIS  13  12.964  16.005  -8.617
   87    HD2  HIS  13           HD2      HIS  13  11.237  15.724  -4.777
   88    HE1  HIS  13           HE1      HIS  13  14.634  17.101  -7.016
   89    HE2  HIS  13           HE2      HIS  13  13.515  16.945  -4.597
   90    H    LYS  14           H        LYS  14   9.038  14.708 -10.183
   91    HA   LYS  14           HA       LYS  14  10.679  16.162 -12.009
   92   1HB   LYS  14          2HB       LYS  14   9.117  13.911 -12.196
   93   2HB   LYS  14          3HB       LYS  14   8.104  15.068 -13.068
   94   1HG   LYS  14          2HG       LYS  14  10.178  15.718 -14.403
   95   2HG   LYS  14          3HG       LYS  14  11.013  14.361 -13.605
   96   1HD   LYS  14          2HD       LYS  14   9.131  12.853 -14.455
   97   2HD   LYS  14          3HD       LYS  14   8.526  14.260 -15.360
   98   1HE   LYS  14          2HE       LYS  14  11.132  14.314 -16.138
   99   2HE   LYS  14          3HE       LYS  14  10.999  12.589 -15.757
  100   1HZ   LYS  14          1HZ       LYS  14   8.999  12.578 -17.222
  101   2HZ   LYS  14          2HZ       LYS  14   9.325  14.130 -17.656
  102   3HZ   LYS  14          3HZ       LYS  14  10.388  12.926 -18.040
  103    H    GLU  15           H        GLU  15   7.115  16.510 -11.662
  104    HA   GLU  15           HA       GLU  15   7.058  19.071 -13.028
  105   1HB   GLU  15          2HB       GLU  15   5.158  17.374 -12.765
  106   2HB   GLU  15          3HB       GLU  15   4.959  17.993 -11.118
  107   1HG   GLU  15          2HG       GLU  15   4.346  20.166 -11.902
  108   2HG   GLU  15          3HG       GLU  15   5.045  19.883 -13.499
  109    H    CYS  16           H        CYS  16   8.026  18.213  -9.897
  110    HA   CYS  16           HA       CYS  16   7.398  20.684  -8.623
  111   1HB   CYS  16          2HB       CYS  16   7.703  18.505  -7.434
  112   2HB   CYS  16          3HB       CYS  16   9.437  18.671  -7.703
  113    H    SER  17           H        SER  17  10.532  19.169  -9.466
  114    HA   SER  17           HA       SER  17  12.244  21.411  -9.190
  115   1HB   SER  17          2HB       SER  17  12.478  18.750 -10.136
  116   2HB   SER  17          3HB       SER  17  12.962  19.770 -11.483
  117    HG   SER  17           HG       SER  17  13.980  20.322  -8.922
  118    H    ASP  18           H        ASP  18   9.911  20.683 -11.738
  119    HA   ASP  18           HA       ASP  18  10.724  22.418 -13.822
  120   1HB   ASP  18          2HB       ASP  18   8.867  21.010 -14.242
  121   2HB   ASP  18          3HB       ASP  18   8.091  21.481 -12.746
  122    H    LYS  19           H        LYS  19   9.137  23.168 -10.676
  123    HA   LYS  19           HA       LYS  19   8.608  25.859 -11.275
  124   1HB   LYS  19          2HB       LYS  19   8.544  24.085  -8.919
  125   2HB   LYS  19          3HB       LYS  19   9.180  25.597  -8.484
  126   1HG   LYS  19          2HG       LYS  19   6.796  25.786 -10.267
  127   2HG   LYS  19          3HG       LYS  19   6.485  24.773  -8.877
  128   1HD   LYS  19          2HD       LYS  19   6.362  26.514  -7.476
  129   2HD   LYS  19          3HD       LYS  19   7.893  27.217  -8.044
  130   1HE   LYS  19          2HE       LYS  19   6.831  28.209  -9.970
  131   2HE   LYS  19          3HE       LYS  19   5.277  27.470  -9.562
  132   1HZ   LYS  19          1HZ       LYS  19   6.274  28.889  -7.337
  133   2HZ   LYS  19          2HZ       LYS  19   6.290  29.894  -8.635
  134   3HZ   LYS  19          3HZ       LYS  19   4.882  29.165  -8.175
  135    H    GLY  20           H        GLY  20  11.541  24.385 -11.086
  136   1HA   GLY  20          2HA       GLY  20  13.653  25.199 -11.397
  137   2HA   GLY  20          3HA       GLY  20  13.062  26.854 -11.191
  138    H    ASN  21           H        ASN  21  12.112  24.716  -8.712
  139    HA   ASN  21           HA       ASN  21  13.755  26.073  -6.708
  140   1HB   ASN  21          2HB       ASN  21  12.420  24.514  -5.168
  141   2HB   ASN  21          3HB       ASN  21  11.481  25.725  -6.018
  142   1HD2  ASN  21          1HD2      ASN  21   9.645  24.216  -5.479
  143   2HD2  ASN  21          2HD2      ASN  21   9.472  22.894  -6.656
  144    H    GLY  22           H        GLY  22  14.446  24.407  -4.932
  145   1HA   GLY  22          2HA       GLY  22  16.525  22.712  -6.207
  146   2HA   GLY  22          3HA       GLY  22  16.430  23.147  -4.488
  147    H    PHE  23           H        PHE  23  16.757  20.532  -5.837
  148    HA   PHE  23           HA       PHE  23  14.547  18.903  -5.714
  149   1HB   PHE  23          2HB       PHE  23  16.092  17.087  -5.514
  150   2HB   PHE  23          3HB       PHE  23  16.939  18.318  -6.432
  151    HD1  PHE  23           HD1      PHE  23  18.803  19.583  -5.318
  152    HD2  PHE  23           HD2      PHE  23  16.681  16.447  -3.225
  153    HE1  PHE  23           HE1      PHE  23  20.559  19.535  -3.568
  154    HE2  PHE  23           HE2      PHE  23  18.412  16.428  -1.494
  155    HZ   PHE  23           HZ       PHE  23  20.379  17.940  -1.662
  156    H    THR  24           H        THR  24  16.676  19.731  -3.015
  157    HA   THR  24           HA       THR  24  15.575  18.195  -0.996
  158    HB   THR  24           HB       THR  24  17.207  20.683  -1.148
  159    HG1  THR  24           1HG      THR  24  18.550  19.362  -0.120
  160   1HG2  THR  24          1HG2      THR  24  15.633  20.001   1.357
  161   2HG2  THR  24          2HG2      THR  24  17.216  20.791   1.441
  162   3HG2  THR  24          3HG2      THR  24  15.893  21.599   0.610
  163    H    PHE  25           H        PHE  25  14.827  21.666  -1.429
  164    HA   PHE  25           HA       PHE  25  12.579  21.747   0.262
  165   1HB   PHE  25          2HB       PHE  25  13.563  23.788  -0.572
  166   2HB   PHE  25          3HB       PHE  25  13.402  23.262  -2.244
  167    HD1  PHE  25           HD1      PHE  25  11.380  23.543  -3.503
  168    HD2  PHE  25           HD2      PHE  25  11.440  24.399   0.720
  169    HE1  PHE  25           HE1      PHE  25   9.212  24.728  -3.710
  170    HE2  PHE  25           HE2      PHE  25   9.270  25.560   0.522
  171    HZ   PHE  25           HZ       PHE  25   8.169  25.765  -1.722
  172    H    CYS  26           H        CYS  26  12.823  20.746  -3.195
  173    HA   CYS  26           HA       CYS  26  10.045  20.502  -3.584
  174   1HB   CYS  26          2HB       CYS  26  12.526  19.778  -5.002
  175   2HB   CYS  26          3HB       CYS  26  11.265  18.573  -5.176
  176    H    GLU  27           H        GLU  27  12.496  18.358  -2.117
  177    HA   GLU  27           HA       GLU  27  10.908  15.981  -2.161
  178   1HB   GLU  27          2HB       GLU  27  13.540  16.856  -1.147
  179   2HB   GLU  27          3HB       GLU  27  12.657  15.956   0.073
  180   1HG   GLU  27          2HG       GLU  27  12.285  14.432  -2.207
  181   2HG   GLU  27          3HG       GLU  27  13.853  15.104  -2.510
  182    H    MET  28           H        MET  28  11.732  18.149   0.568
  183    HA   MET  28           HA       MET  28   9.838  17.108   2.375
  184   1HB   MET  28          2HB       MET  28  11.734  19.048   2.496
  185   2HB   MET  28          3HB       MET  28  10.312  20.082   2.365
  186   1HG   MET  28          2HG       MET  28   9.300  18.878   4.316
  187   2HG   MET  28          3HG       MET  28  10.783  17.930   4.467
  188   1HE   MET  28          1HE       MET  28  13.473  20.518   5.478
  189   2HE   MET  28          2HE       MET  28  13.014  18.799   5.591
  190   3HE   MET  28          3HE       MET  28  13.135  19.589   4.007
  191    H    LYS  29           H        LYS  29   9.285  19.039  -0.411
  192    HA   LYS  29           HA       LYS  29   6.587  19.879   0.426
  193   1HB   LYS  29          2HB       LYS  29   8.302  21.317  -0.983
  194   2HB   LYS  29          3HB       LYS  29   7.760  20.335  -2.329
  195   1HG   LYS  29          2HG       LYS  29   6.166  22.034  -2.418
  196   2HG   LYS  29          3HG       LYS  29   5.332  20.996  -1.248
  197   1HD   LYS  29          2HD       LYS  29   6.370  22.244   0.631
  198   2HD   LYS  29          3HD       LYS  29   7.271  23.243  -0.515
  199   1HE   LYS  29          2HE       LYS  29   4.420  23.189  -1.178
  200   2HE   LYS  29          3HE       LYS  29   4.645  23.675   0.507
  201   1HZ   LYS  29          1HZ       LYS  29   6.102  25.412  -0.196
  202   2HZ   LYS  29          2HZ       LYS  29   6.098  24.888  -1.761
  203   3HZ   LYS  29          3HZ       LYS  29   4.731  25.536  -1.104
  204    H    CYS  30           H        CYS  30   7.904  18.140  -2.429
  205    HA   CYS  30           HA       CYS  30   5.657  16.951  -3.468
  206   1HB   CYS  30          2HB       CYS  30   8.502  16.005  -3.203
  207   2HB   CYS  30          3HB       CYS  30   7.286  15.046  -4.014
  208    H    ASP  31           H        ASP  31   7.471  16.084  -0.550
  209    HA   ASP  31           HA       ASP  31   6.294  13.597   0.052
  210   1HB   ASP  31          2HB       ASP  31   8.251  15.066   1.207
  211   2HB   ASP  31          3HB       ASP  31   6.958  15.620   2.218
  212    H    THR  32           H        THR  32   5.474  16.797   1.342
  213    HA   THR  32           HA       THR  32   2.882  15.874   2.345
  214    HB   THR  32           HB       THR  32   4.486  18.383   2.497
  215    HG1  THR  32           1HG      THR  32   4.530  17.668   4.419
  216   1HG2  THR  32          1HG2      THR  32   2.596  19.613   3.573
  217   2HG2  THR  32          2HG2      THR  32   2.373  19.377   1.829
  218   3HG2  THR  32          3HG2      THR  32   1.486  18.354   2.987
  219    H    ASP  33           H        ASP  33   3.961  17.043  -0.697
  220    HA   ASP  33           HA       ASP  33   1.714  18.375  -1.701
  221   1HB   ASP  33          2HB       ASP  33   3.860  18.342  -2.895
  222   2HB   ASP  33          3HB       ASP  33   3.714  16.592  -3.102
  223    H    CYS  34           H        CYS  34   2.668  15.068  -2.643
  224    HA   CYS  34           HA       CYS  34  -0.039  14.363  -3.267
  225   1HB   CYS  34          2HB       CYS  34   2.440  12.649  -2.843
  226   2HB   CYS  34          3HB       CYS  34   0.879  12.041  -3.412
  227    H    SER  35           H        SER  35   1.761  14.427  -0.329
  228    HA   SER  35           HA       SER  35  -0.164  12.661   1.032
  229   1HB   SER  35          2HB       SER  35   2.224  12.172   1.327
  230   2HB   SER  35          3HB       SER  35   2.389  13.662   2.278
  231    HG   SER  35           HG       SER  35   0.237  12.076   2.930
  232    H    VAL  36           H        VAL  36  -1.711  14.692   0.804
  233    HA   VAL  36           HA       VAL  36  -1.130  17.055   2.220
  234    HB   VAL  36           HB       VAL  36  -3.933  16.269   1.598
  235   1HG1  VAL  36          1HG1      VAL  36  -2.544  18.733   2.228
  236   2HG1  VAL  36          2HG1      VAL  36  -3.208  18.884   0.614
  237   3HG1  VAL  36          3HG1      VAL  36  -4.277  18.465   1.957
  238   1HG2  VAL  36          1HG2      VAL  36  -3.290  17.298  -0.833
  239   2HG2  VAL  36          2HG2      VAL  36  -1.794  16.506  -0.421
  240   3HG2  VAL  36          3HG2      VAL  36  -3.286  15.565  -0.464
  241    H    LYS  37           H        LYS  37  -3.236  17.674   3.752
  242    HA   LYS  37           HA       LYS  37  -3.642  15.550   5.756
  243   1HB   LYS  37          2HB       LYS  37  -1.898  17.956   6.165
  244   2HB   LYS  37          3HB       LYS  37  -3.062  17.642   7.446
  245   1HG   LYS  37          2HG       LYS  37  -1.409  16.271   8.224
  246   2HG   LYS  37          3HG       LYS  37  -2.161  15.106   7.152
  247   1HD   LYS  37          2HD       LYS  37  -0.416  16.064   5.357
  248   2HD   LYS  37          3HD       LYS  37   0.371  16.721   6.784
  249   1HE   LYS  37          2HE       LYS  37   0.064  14.221   7.677
  250   2HE   LYS  37          3HE       LYS  37  -0.084  13.841   5.954
  251   1HZ   LYS  37          1HZ       LYS  37   2.070  14.553   5.537
  252   2HZ   LYS  37          2HZ       LYS  37   2.156  15.502   6.870
  253   3HZ   LYS  37          3HZ       LYS  37   2.264  13.867   7.023
  254    H    ASP  38           H        ASP  38  -5.598  15.451   6.417
  255    HA   ASP  38           HA       ASP  38  -7.646  17.247   5.471
  256   1HB   ASP  38          2HB       ASP  38  -8.166  14.904   5.895
  257   2HB   ASP  38          3HB       ASP  38  -7.630  15.045   7.574
  258    H    VAL  39           H        VAL  39  -8.655  18.845   6.513
  259    HA   VAL  39           HA       VAL  39  -7.931  19.573   9.294
  260    HB   VAL  39           HB       VAL  39  -7.681  21.386   6.875
  261   1HG1  VAL  39          1HG1      VAL  39  -8.334  23.094   8.176
  262   2HG1  VAL  39          2HG1      VAL  39  -8.387  22.100   9.634
  263   3HG1  VAL  39          3HG1      VAL  39  -6.869  22.870   9.144
  264   1HG2  VAL  39          1HG2      VAL  39  -5.600  20.936   9.034
  265   2HG2  VAL  39          2HG2      VAL  39  -5.678  19.904   7.606
  266   3HG2  VAL  39          3HG2      VAL  39  -5.405  21.624   7.397
  267    H    LYS  40           H        LYS  40 -10.046  18.263   9.097
  268    HA   LYS  40           HA       LYS  40 -12.406  19.339   8.190
  269   1HB   LYS  40          2HB       LYS  40 -11.688  17.792  10.694
  270   2HB   LYS  40          3HB       LYS  40 -13.293  18.493  10.578
  271   1HG   LYS  40          2HG       LYS  40 -12.941  17.315   8.041
  272   2HG   LYS  40          3HG       LYS  40 -12.131  16.182   9.111
  273   1HD   LYS  40          2HD       LYS  40 -14.056  15.523  10.136
  274   2HD   LYS  40          3HD       LYS  40 -14.807  17.130  10.050
  275   1HE   LYS  40          2HE       LYS  40 -15.002  16.795   7.531
  276   2HE   LYS  40          3HE       LYS  40 -14.553  15.107   7.805
  277   1HZ   LYS  40          1HZ       LYS  40 -16.459  15.339   9.590
  278   2HZ   LYS  40          2HZ       LYS  40 -16.980  16.546   8.609
  279   3HZ   LYS  40          3HZ       LYS  40 -16.840  15.010   8.017
  280    H    GLU  41           H        GLU  41 -13.829  20.878   8.652
  281    HA   GLU  41           HA       GLU  41 -12.908  23.311   9.666
  282   1HB   GLU  41          2HB       GLU  41 -15.529  22.170   8.835
  283   2HB   GLU  41          3HB       GLU  41 -15.678  23.455  10.015
  284   1HG   GLU  41          2HG       GLU  41 -13.762  24.035   7.789
  285   2HG   GLU  41          3HG       GLU  41 -15.448  23.852   7.312
  286    H    LYS  42           H        LYS  42 -13.926  24.587  11.426
  287    HA   LYS  42           HA       LYS  42 -13.468  23.022  13.925
  288   1HB   LYS  42          2HB       LYS  42 -12.255  25.118  13.614
  289   2HB   LYS  42          3HB       LYS  42 -13.783  26.011  13.473
  290   1HG   LYS  42          2HG       LYS  42 -14.359  25.653  15.737
  291   2HG   LYS  42          3HG       LYS  42 -13.276  24.269  15.910
  292   1HD   LYS  42          2HD       LYS  42 -11.933  26.840  15.174
  293   2HD   LYS  42          3HD       LYS  42 -12.698  26.836  16.762
  294   1HE   LYS  42          2HE       LYS  42 -10.906  24.550  15.847
  295   2HE   LYS  42          3HE       LYS  42 -10.221  26.016  16.565
  296   1HZ   LYS  42          1HZ       LYS  42 -12.297  24.345  17.865
  297   2HZ   LYS  42          2HZ       LYS  42 -10.691  24.268  18.235
  298   3HZ   LYS  42          3HZ       LYS  42 -11.552  25.644  18.528
  299    H    LEU  43           H        LEU  43 -15.319  21.774  13.724
  300    HA   LEU  43           HA       LEU  43 -17.960  22.571  13.565
  301   1HB   LEU  43          2HB       LEU  43 -16.508  20.273  14.702
  302   2HB   LEU  43          3HB       LEU  43 -17.872  20.640  15.701
  303    HG   LEU  43           HG       LEU  43 -18.674  20.699  12.884
  304   1HD1  LEU  43          1HD1      LEU  43 -18.009  17.889  13.669
  305   2HD1  LEU  43          2HD1      LEU  43 -18.143  18.656  12.069
  306   3HD1  LEU  43          3HD1      LEU  43 -16.695  18.902  13.048
  307   1HD2  LEU  43          1HD2      LEU  43 -20.558  19.596  13.647
  308   2HD2  LEU  43          2HD2      LEU  43 -19.678  18.683  14.895
  309   3HD2  LEU  43          3HD2      LEU  43 -20.037  20.392  15.132
  310    H    GLU  44           H        GLU  44 -19.638  22.844  15.213
  311    HA   GLU  44           HA       GLU  44 -18.661  24.493  17.491
  312   1HB   GLU  44          2HB       GLU  44 -20.796  24.943  15.431
  313   2HB   GLU  44          3HB       GLU  44 -21.061  25.572  17.048
  314   1HG   GLU  44          2HG       GLU  44 -19.475  27.156  16.946
  315   2HG   GLU  44          3HG       GLU  44 -18.326  26.176  16.055
  316    H    ASN  45           H        ASN  45 -20.235  24.725  19.182
  317    HA   ASN  45           HA       ASN  45 -21.917  22.336  19.617
  318   1HB   ASN  45          2HB       ASN  45 -19.441  23.076  21.118
  319   2HB   ASN  45          3HB       ASN  45 -20.843  22.815  22.143
  320   1HD2  ASN  45          1HD2      ASN  45 -21.731  20.757  22.386
  321   2HD2  ASN  45          2HD2      ASN  45 -20.903  19.376  21.644
  322    H    TYR  46           H        TYR  46 -23.295  22.626  21.539
  323    HA   TYR  46           HA       TYR  46 -24.071  25.467  21.947
  324   1HB   TYR  46          2HB       TYR  46 -25.436  23.895  20.260
  325   2HB   TYR  46          3HB       TYR  46 -26.109  23.254  21.755
  326    HD1  TYR  46           HD1      TYR  46 -28.019  24.346  22.637
  327    HD2  TYR  46           HD2      TYR  46 -25.376  26.493  19.978
  328    HE1  TYR  46           HE1      TYR  46 -29.595  26.273  22.624
  329    HE2  TYR  46           HE2      TYR  46 -26.972  28.413  19.964
  330    HH   TYR  46           HH       TYR  46 -30.116  28.194  20.952
  331    H    LYS  47           H        LYS  47 -25.424  25.772  23.823
  332    HA   LYS  47           HA       LYS  47 -25.452  23.641  25.810
  333   1HB   LYS  47          2HB       LYS  47 -23.164  25.124  25.827
  334   2HB   LYS  47          3HB       LYS  47 -24.125  26.067  26.932
  335   1HG   LYS  47          2HG       LYS  47 -24.499  23.247  27.607
  336   2HG   LYS  47          3HG       LYS  47 -22.801  23.488  27.264
  337   1HD   LYS  47          2HD       LYS  47 -22.716  24.085  29.457
  338   2HD   LYS  47          3HD       LYS  47 -23.217  25.662  28.859
  339   1HE   LYS  47          2HE       LYS  47 -25.607  24.060  29.136
  340   2HE   LYS  47          3HE       LYS  47 -24.635  23.760  30.576
  341   1HZ   LYS  47          1HZ       LYS  47 -25.369  26.440  29.554
  342   2HZ   LYS  47          2HZ       LYS  47 -26.155  25.654  30.766
  343   3HZ   LYS  47          3HZ       LYS  47 -24.579  26.123  30.974
  344    HA   PRO  48           HA       PRO  48 -29.064  26.425  25.955
  345   1HB   PRO  48          2HB       PRO  48 -30.930  24.390  26.340
  346   2HB   PRO  48          3HB       PRO  48 -30.421  25.052  24.761
  347   1HG   PRO  48          2HG       PRO  48 -29.728  22.439  25.986
  348   2HG   PRO  48          3HG       PRO  48 -29.655  22.951  24.274
  349   1HD   PRO  48          2HD       PRO  48 -27.501  22.745  26.156
  350   2HD   PRO  48          3HD       PRO  48 -27.416  23.332  24.476
  351    H    LYS  49           H        LYS  49 -29.816  27.282  27.767
  352    HA   LYS  49           HA       LYS  49 -28.761  26.726  30.276
  353   1HB   LYS  49          2HB       LYS  49 -30.268  28.754  29.315
  354   2HB   LYS  49          3HB       LYS  49 -31.540  27.910  30.161
  355   1HG   LYS  49          2HG       LYS  49 -29.093  28.158  31.829
  356   2HG   LYS  49          3HG       LYS  49 -29.638  29.709  31.204
  357   1HD   LYS  49          2HD       LYS  49 -32.017  28.942  32.051
  358   2HD   LYS  49          3HD       LYS  49 -31.115  27.767  33.016
  359   1HE   LYS  49          2HE       LYS  49 -30.475  30.755  32.960
  360   2HE   LYS  49          3HE       LYS  49 -31.701  30.086  34.040
  361   1HZ   LYS  49          1HZ       LYS  49 -28.891  30.042  34.369
  362   2HZ   LYS  49          2HZ       LYS  49 -30.060  29.587  35.434
  363   3HZ   LYS  49          3HZ       LYS  49 -29.472  28.497  34.361
  364    H    ASN  50           H        ASN  50 -32.152  25.970  29.474
  365    HA   ASN  50           HA       ASN  50 -31.990  23.388  30.870
  366   1HB   ASN  50          2HB       ASN  50 -33.838  25.726  31.469
  367   2HB   ASN  50          3HB       ASN  50 -34.453  24.091  31.606
  368   1HD2  ASN  50          1HD2      ASN  50 -34.796  25.070  33.788
  369   2HD2  ASN  50          2HD2      ASN  50 -33.502  24.655  34.934
  Start of MODEL    3
    1   1H    ASP   1           H1       ASP   1   0.601  -0.696  -0.088
    2   2H    ASP   1           H2       ASP   1   0.931   0.914   0.164
    3   3H    ASP   1           H3       ASP   1   1.945  -0.271   0.764
    4    HA   ASP   1           HA       ASP   1   2.101   0.999  -1.698
    5   1HB   ASP   1          2HB       ASP   1   3.767  -0.374   0.109
    6   2HB   ASP   1          3HB       ASP   1   3.769  -1.425  -1.313
    7    H    GLU   2           H        GLU   2   0.941   0.507  -3.531
    8    HA   GLU   2           HA       GLU   2  -0.467  -1.978  -3.843
    9   1HB   GLU   2          2HB       GLU   2  -0.043   0.481  -5.325
   10   2HB   GLU   2          3HB       GLU   2   0.146  -0.900  -6.399
   11   1HG   GLU   2          2HG       GLU   2  -2.024  -1.811  -5.698
   12   2HG   GLU   2          3HG       GLU   2  -2.233  -0.472  -4.555
   13    H    ALA   3           H        ALA   3   2.887  -1.023  -4.509
   14    HA   ALA   3           HA       ALA   3   3.587  -3.037  -6.367
   15   1HB   ALA   3          1HB       ALA   3   5.666  -2.228  -6.059
   16   2HB   ALA   3          2HB       ALA   3   4.904  -0.999  -4.994
   17   3HB   ALA   3          3HB       ALA   3   5.615  -2.475  -4.303
   18    H    GLN   4           H        GLN   4   3.755  -3.183  -2.777
   19    HA   GLN   4           HA       GLN   4   4.634  -5.762  -2.424
   20   1HB   GLN   4          2HB       GLN   4   2.961  -3.861  -0.897
   21   2HB   GLN   4          3HB       GLN   4   2.559  -5.517  -0.534
   22   1HG   GLN   4          2HG       GLN   4   5.496  -4.950  -0.600
   23   2HG   GLN   4          3HG       GLN   4   4.583  -4.092   0.638
   24   1HE2  GLN   4          1HE2      GLN   4   3.809  -5.190   2.423
   25   2HE2  GLN   4          2HE2      GLN   4   4.060  -6.948   2.582
   26    H    PHE   5           H        PHE   5   1.528  -4.853  -3.662
   27    HA   PHE   5           HA       PHE   5   0.436  -7.630  -3.611
   28   1HB   PHE   5          2HB       PHE   5  -0.887  -5.428  -3.088
   29   2HB   PHE   5          3HB       PHE   5  -0.684  -5.047  -4.801
   30    HD1  PHE   5           HD1      PHE   5  -2.427  -7.065  -2.405
   31    HD2  PHE   5           HD2      PHE   5  -1.649  -6.500  -6.609
   32    HE1  PHE   5           HE1      PHE   5  -4.431  -8.322  -2.949
   33    HE2  PHE   5           HE2      PHE   5  -3.675  -7.832  -7.155
   34    HZ   PHE   5           HZ       PHE   5  -5.014  -8.800  -5.367
   35    H    LYS   6           H        LYS   6   1.533  -5.045  -5.883
   36    HA   LYS   6           HA       LYS   6   0.954  -6.494  -8.323
   37   1HB   LYS   6          2HB       LYS   6   2.018  -3.936  -7.683
   38   2HB   LYS   6          3HB       LYS   6   3.347  -4.777  -8.459
   39   1HG   LYS   6          2HG       LYS   6   2.236  -3.879 -10.311
   40   2HG   LYS   6          3HG       LYS   6   1.534  -5.485 -10.234
   41   1HD   LYS   6          2HD       LYS   6  -0.406  -4.275 -10.372
   42   2HD   LYS   6          3HD       LYS   6  -0.253  -4.262  -8.617
   43   1HE   LYS   6          2HE       LYS   6   0.333  -2.035  -8.515
   44   2HE   LYS   6          3HE       LYS   6   1.188  -2.081 -10.054
   45   1HZ   LYS   6          1HZ       LYS   6  -1.437  -1.189  -9.576
   46   2HZ   LYS   6          2HZ       LYS   6  -0.631  -1.261 -11.029
   47   3HZ   LYS   6          3HZ       LYS   6  -1.539  -2.526 -10.517
   48    H    GLU   7           H        GLU   7   3.541  -6.764  -6.006
   49    HA   GLU   7           HA       GLU   7   5.117  -8.502  -7.722
   50   1HB   GLU   7          2HB       GLU   7   5.280  -7.806  -4.771
   51   2HB   GLU   7          3HB       GLU   7   6.355  -8.955  -5.578
   52   1HG   GLU   7          2HG       GLU   7   6.616  -6.869  -7.292
   53   2HG   GLU   7          3HG       GLU   7   6.231  -5.968  -5.834
   54    H    CYS   8           H        CYS   8   2.584  -8.875  -5.267
   55    HA   CYS   8           HA       CYS   8   3.022 -11.774  -5.074
   56   1HB   CYS   8          2HB       CYS   8   1.732  -9.961  -3.479
   57   2HB   CYS   8          3HB       CYS   8   0.395 -10.536  -4.470
   58    H    TYR   9           H        TYR   9   0.795  -9.572  -6.815
   59    HA   TYR   9           HA       TYR   9  -0.688 -11.610  -8.132
   60   1HB   TYR   9          2HB       TYR   9  -1.024  -9.022  -7.912
   61   2HB   TYR   9          3HB       TYR   9   0.085  -8.875  -9.267
   62    HD1  TYR   9           HD1      TYR   9  -0.544  -9.973 -11.510
   63    HD2  TYR   9           HD2      TYR   9  -3.306  -9.589  -8.215
   64    HE1  TYR   9           HE1      TYR   9  -2.454 -10.203 -13.070
   65    HE2  TYR   9           HE2      TYR   9  -5.185  -9.758  -9.801
   66    HH   TYR   9           HH       TYR   9  -5.705 -10.698 -11.823
   67    H    ASP  10           H        ASP  10   2.162  -9.767  -9.295
   68    HA   ASP  10           HA       ASP  10   2.371 -11.076 -11.802
   69   1HB   ASP  10          2HB       ASP  10   3.567  -8.922 -10.825
   70   2HB   ASP  10          3HB       ASP  10   4.800 -10.045 -10.288
   71    H    THR  11           H        THR  11   4.167 -11.574  -8.763
   72    HA   THR  11           HA       THR  11   5.634 -13.837  -9.582
   73    HB   THR  11           HB       THR  11   4.854 -12.974  -6.778
   74    HG1  THR  11           1HG      THR  11   6.836 -11.911  -6.962
   75   1HG2  THR  11          1HG2      THR  11   7.355 -14.470  -7.575
   76   2HG2  THR  11          2HG2      THR  11   6.664 -14.184  -5.954
   77   3HG2  THR  11          3HG2      THR  11   5.894 -15.351  -7.055
   78    H    CYS  12           H        CYS  12   2.489 -13.559  -7.808
   79    HA   CYS  12           HA       CYS  12   2.069 -16.345  -7.437
   80   1HB   CYS  12          2HB       CYS  12   0.697 -14.648  -6.335
   81   2HB   CYS  12          3HB       CYS  12   0.011 -14.157  -7.900
   82    H    HIS  13           H        HIS  13   1.242 -14.145 -10.171
   83    HA   HIS  13           HA       HIS  13  -0.002 -16.018 -11.838
   84   1HB   HIS  13          2HB       HIS  13   0.513 -13.427 -12.152
   85   2HB   HIS  13          3HB       HIS  13   1.897 -14.069 -13.033
   86    HD1  HIS  13           HD1      HIS  13   1.422 -14.817 -15.441
   87    HD2  HIS  13           HD2      HIS  13  -2.018 -14.243 -13.051
   88    HE1  HIS  13           HE1      HIS  13  -0.559 -14.947 -17.001
   89    HE2  HIS  13           HE2      HIS  13  -2.689 -14.551 -15.546
   90    H    LYS  14           H        LYS  14   3.463 -15.458 -11.355
   91    HA   LYS  14           HA       LYS  14   4.413 -17.267 -13.368
   92   1HB   LYS  14          2HB       LYS  14   5.541 -15.818 -11.094
   93   2HB   LYS  14          3HB       LYS  14   6.120 -17.471 -11.048
   94   1HG   LYS  14          2HG       LYS  14   7.683 -16.624 -12.463
   95   2HG   LYS  14          3HG       LYS  14   6.461 -16.992 -13.690
   96   1HD   LYS  14          2HD       LYS  14   5.605 -14.481 -12.936
   97   2HD   LYS  14          3HD       LYS  14   7.297 -14.352 -12.493
   98   1HE   LYS  14          2HE       LYS  14   7.591 -13.749 -14.653
   99   2HE   LYS  14          3HE       LYS  14   7.550 -15.492 -14.965
  100   1HZ   LYS  14          1HZ       LYS  14   5.980 -13.999 -16.296
  101   2HZ   LYS  14          2HZ       LYS  14   5.295 -15.328 -15.593
  102   3HZ   LYS  14          3HZ       LYS  14   5.120 -13.826 -14.918
  103    H    GLU  15           H        GLU  15   4.086 -18.097  -9.896
  104    HA   GLU  15           HA       GLU  15   4.206 -20.926 -10.419
  105   1HB   GLU  15          2HB       GLU  15   4.597 -19.560  -8.206
  106   2HB   GLU  15          3HB       GLU  15   2.855 -19.725  -7.999
  107   1HG   GLU  15          2HG       GLU  15   2.995 -22.138  -7.994
  108   2HG   GLU  15          3HG       GLU  15   4.651 -22.108  -8.599
  109    H    CYS  16           H        CYS  16   1.735 -18.652 -10.937
  110    HA   CYS  16           HA       CYS  16  -0.477 -20.478 -10.616
  111   1HB   CYS  16          2HB       CYS  16  -0.581 -17.960 -10.402
  112   2HB   CYS  16          3HB       CYS  16  -0.544 -17.910 -12.184
  113    H    SER  17           H        SER  17   0.845 -18.771 -13.515
  114    HA   SER  17           HA       SER  17  -0.352 -20.274 -15.557
  115   1HB   SER  17          2HB       SER  17   1.649 -18.286 -15.366
  116   2HB   SER  17          3HB       SER  17   2.420 -19.655 -16.163
  117    HG   SER  17           HG       SER  17   1.232 -19.349 -17.865
  118    H    ASP  18           H        ASP  18   2.279 -21.216 -13.381
  119    HA   ASP  18           HA       ASP  18   3.444 -23.409 -14.733
  120   1HB   ASP  18          2HB       ASP  18   4.401 -22.779 -12.657
  121   2HB   ASP  18          3HB       ASP  18   2.834 -22.752 -11.864
  122    H    LYS  19           H        LYS  19   0.214 -23.080 -13.188
  123    HA   LYS  19           HA       LYS  19  -0.365 -25.861 -13.196
  124   1HB   LYS  19          2HB       LYS  19  -1.808 -23.315 -12.710
  125   2HB   LYS  19          3HB       LYS  19  -2.782 -24.396 -13.552
  126   1HG   LYS  19          2HG       LYS  19  -1.311 -25.736 -11.365
  127   2HG   LYS  19          3HG       LYS  19  -2.144 -24.302 -10.775
  128   1HD   LYS  19          2HD       LYS  19  -4.273 -25.092 -11.500
  129   2HD   LYS  19          3HD       LYS  19  -3.560 -26.326 -12.549
  130   1HE   LYS  19          2HE       LYS  19  -2.699 -26.561  -9.738
  131   2HE   LYS  19          3HE       LYS  19  -4.448 -26.701  -9.913
  132   1HZ   LYS  19          1HZ       LYS  19  -3.009 -28.179 -11.898
  133   2HZ   LYS  19          2HZ       LYS  19  -2.632 -28.690 -10.394
  134   3HZ   LYS  19          3HZ       LYS  19  -4.203 -28.703 -10.902
  135    H    GLY  20           H        GLY  20   0.213 -23.853 -15.758
  136   1HA   GLY  20          2HA       GLY  20   0.255 -24.340 -18.007
  137   2HA   GLY  20          3HA       GLY  20  -0.668 -25.818 -17.735
  138    H    ASN  21           H        ASN  21  -2.053 -23.073 -16.248
  139    HA   ASN  21           HA       ASN  21  -4.341 -23.111 -18.084
  140   1HB   ASN  21          2HB       ASN  21  -5.211 -21.405 -16.388
  141   2HB   ASN  21          3HB       ASN  21  -4.971 -23.037 -15.776
  142   1HD2  ASN  21          1HD2      ASN  21  -4.751 -22.337 -13.626
  143   2HD2  ASN  21          2HD2      ASN  21  -3.275 -21.439 -13.173
  144    H    GLY  22           H        GLY  22  -5.249 -20.738 -18.268
  145   1HA   GLY  22          2HA       GLY  22  -3.313 -19.299 -19.988
  146   2HA   GLY  22          3HA       GLY  22  -5.046 -18.947 -19.824
  147    H    PHE  23           H        PHE  23  -2.892 -17.079 -19.802
  148    HA   PHE  23           HA       PHE  23  -2.228 -16.197 -17.234
  149   1HB   PHE  23          2HB       PHE  23  -1.877 -13.990 -18.417
  150   2HB   PHE  23          3HB       PHE  23  -1.099 -15.335 -19.238
  151    HD1  PHE  23           HD1      PHE  23  -3.813 -12.808 -19.371
  152    HD2  PHE  23           HD2      PHE  23  -2.020 -16.178 -21.372
  153    HE1  PHE  23           HE1      PHE  23  -5.110 -12.301 -21.390
  154    HE2  PHE  23           HE2      PHE  23  -3.305 -15.642 -23.414
  155    HZ   PHE  23           HZ       PHE  23  -4.852 -13.701 -23.433
  156    H    THR  24           H        THR  24  -4.919 -15.160 -19.318
  157    HA   THR  24           HA       THR  24  -6.056 -13.303 -17.636
  158    HB   THR  24           HB       THR  24  -6.964 -14.998 -19.872
  159    HG1  THR  24           1HG      THR  24  -7.532 -12.971 -20.570
  160   1HG2  THR  24          1HG2      THR  24  -9.369 -14.127 -19.634
  161   2HG2  THR  24          2HG2      THR  24  -8.942 -15.499 -18.609
  162   3HG2  THR  24          3HG2      THR  24  -8.995 -13.854 -17.915
  163    H    PHE  25           H        PHE  25  -7.206 -16.680 -17.817
  164    HA   PHE  25           HA       PHE  25  -8.885 -16.664 -15.607
  165   1HB   PHE  25          2HB       PHE  25  -8.779 -18.571 -17.072
  166   2HB   PHE  25          3HB       PHE  25  -7.041 -18.749 -16.813
  167    HD1  PHE  25           HD1      PHE  25  -6.141 -20.018 -15.012
  168    HD2  PHE  25           HD2      PHE  25 -10.336 -19.104 -15.098
  169    HE1  PHE  25           HE1      PHE  25  -6.540 -21.666 -13.203
  170    HE2  PHE  25           HE2      PHE  25 -10.728 -20.733 -13.278
  171    HZ   PHE  25           HZ       PHE  25  -8.830 -22.027 -12.339
  172    H    CYS  26           H        CYS  26  -5.330 -17.266 -15.640
  173    HA   CYS  26           HA       CYS  26  -5.155 -17.699 -12.860
  174   1HB   CYS  26          2HB       CYS  26  -3.328 -17.423 -15.136
  175   2HB   CYS  26          3HB       CYS  26  -2.722 -16.608 -13.716
  176    H    GLU  27           H        GLU  27  -5.161 -14.762 -14.888
  177    HA   GLU  27           HA       GLU  27  -4.188 -12.905 -12.918
  178   1HB   GLU  27          2HB       GLU  27  -5.299 -12.881 -15.634
  179   2HB   GLU  27          3HB       GLU  27  -6.103 -11.654 -14.673
  180   1HG   GLU  27          2HG       GLU  27  -4.241 -10.357 -14.534
  181   2HG   GLU  27          3HG       GLU  27  -3.157 -11.763 -14.322
  182    H    MET  28           H        MET  28  -7.544 -13.697 -13.952
  183    HA   MET  28           HA       MET  28  -8.744 -12.182 -11.826
  184   1HB   MET  28          2HB       MET  28  -9.828 -13.085 -13.960
  185   2HB   MET  28          3HB       MET  28  -9.881 -14.664 -13.165
  186   1HG   MET  28          2HG       MET  28 -11.280 -13.734 -11.375
  187   2HG   MET  28          3HG       MET  28 -11.145 -12.119 -12.076
  188   1HE   MET  28          1HE       MET  28 -13.735 -13.854 -11.237
  189   2HE   MET  28          2HE       MET  28 -13.911 -12.191 -11.839
  190   3HE   MET  28          3HE       MET  28 -14.874 -13.505 -12.556
  191    H    LYS  29           H        LYS  29  -6.986 -15.083 -11.724
  192    HA   LYS  29           HA       LYS  29  -8.325 -16.047  -9.264
  193   1HB   LYS  29          2HB       LYS  29  -7.616 -17.557 -11.259
  194   2HB   LYS  29          3HB       LYS  29  -5.983 -17.391 -10.628
  195   1HG   LYS  29          2HG       LYS  29  -8.175 -18.071  -8.658
  196   2HG   LYS  29          3HG       LYS  29  -7.801 -19.283  -9.874
  197   1HD   LYS  29          2HD       LYS  29  -5.259 -18.764  -9.085
  198   2HD   LYS  29          3HD       LYS  29  -6.100 -18.178  -7.642
  199   1HE   LYS  29          2HE       LYS  29  -7.396 -20.541  -8.044
  200   2HE   LYS  29          3HE       LYS  29  -5.855 -20.941  -8.792
  201   1HZ   LYS  29          1HZ       LYS  29  -4.770 -20.798  -6.774
  202   2HZ   LYS  29          2HZ       LYS  29  -5.728 -19.621  -6.196
  203   3HZ   LYS  29          3HZ       LYS  29  -6.260 -21.171  -6.176
  204    H    CYS  30           H        CYS  30  -4.931 -15.497 -10.245
  205    HA   CYS  30           HA       CYS  30  -3.648 -15.345  -7.816
  206   1HB   CYS  30          2HB       CYS  30  -3.289 -13.906 -10.431
  207   2HB   CYS  30          3HB       CYS  30  -2.232 -13.597  -9.069
  208    H    ASP  31           H        ASP  31  -5.827 -13.007  -9.393
  209    HA   ASP  31           HA       ASP  31  -5.337 -10.752  -7.768
  210   1HB   ASP  31          2HB       ASP  31  -6.996 -11.217  -9.881
  211   2HB   ASP  31          3HB       ASP  31  -8.156 -11.504  -8.641
  212    H    THR  32           H        THR  32  -7.888 -13.221  -7.433
  213    HA   THR  32           HA       THR  32  -8.563 -12.352  -4.704
  214    HB   THR  32           HB       THR  32  -9.464 -14.488  -6.630
  215    HG1  THR  32           1HG      THR  32 -10.275 -12.287  -6.327
  216   1HG2  THR  32          1HG2      THR  32 -11.166 -15.117  -4.708
  217   2HG2  THR  32          2HG2      THR  32  -9.575 -15.926  -4.814
  218   3HG2  THR  32          3HG2      THR  32  -9.855 -14.619  -3.630
  219    H    ASP  33           H        ASP  33  -6.232 -14.575  -6.088
  220    HA   ASP  33           HA       ASP  33  -5.850 -16.321  -3.899
  221   1HB   ASP  33          2HB       ASP  33  -4.754 -16.681  -6.067
  222   2HB   ASP  33          3HB       ASP  33  -3.878 -15.152  -5.867
  223    H    CYS  34           H        CYS  34  -3.677 -13.609  -4.690
  224    HA   CYS  34           HA       CYS  34  -2.961 -13.367  -1.853
  225   1HB   CYS  34          2HB       CYS  34  -1.375 -13.299  -3.959
  226   2HB   CYS  34          3HB       CYS  34  -1.862 -11.606  -4.035
  227    H    SER  35           H        SER  35  -5.519 -12.781  -2.153
  228    HA   SER  35           HA       SER  35  -5.679 -10.063  -1.210
  229   1HB   SER  35          2HB       SER  35  -5.639  -9.870  -3.738
  230   2HB   SER  35          3HB       SER  35  -7.338 -10.387  -3.699
  231    HG   SER  35           HG       SER  35  -7.212  -8.602  -1.826
  232    H    VAL  36           H        VAL  36  -7.159 -10.610   0.490
  233    HA   VAL  36           HA       VAL  36  -9.169 -12.614   0.161
  234    HB   VAL  36           HB       VAL  36  -9.126 -10.739   2.475
  235   1HG1  VAL  36          1HG1      VAL  36 -10.616 -12.294   3.163
  236   2HG1  VAL  36          2HG1      VAL  36 -10.150 -13.450   1.891
  237   3HG1  VAL  36          3HG1      VAL  36  -9.243 -13.383   3.400
  238   1HG2  VAL  36          1HG2      VAL  36  -6.883 -12.601   1.724
  239   2HG2  VAL  36          2HG2      VAL  36  -6.852 -11.002   2.511
  240   3HG2  VAL  36          3HG2      VAL  36  -7.303 -12.442   3.434
  241    H    LYS  37           H        LYS  37 -11.364 -11.675   1.427
  242    HA   LYS  37           HA       LYS  37 -12.290  -9.182   0.294
  243   1HB   LYS  37          2HB       LYS  37 -13.971 -10.047  -1.233
  244   2HB   LYS  37          3HB       LYS  37 -12.399 -10.687  -1.696
  245   1HG   LYS  37          2HG       LYS  37 -12.964 -12.816  -0.380
  246   2HG   LYS  37          3HG       LYS  37 -14.588 -12.157  -0.162
  247   1HD   LYS  37          2HD       LYS  37 -14.518 -11.882  -2.792
  248   2HD   LYS  37          3HD       LYS  37 -13.186 -13.041  -2.678
  249   1HE   LYS  37          2HE       LYS  37 -15.205 -14.084  -0.990
  250   2HE   LYS  37          3HE       LYS  37 -16.110 -13.409  -2.337
  251   1HZ   LYS  37          1HZ       LYS  37 -14.840 -14.744  -3.843
  252   2HZ   LYS  37          2HZ       LYS  37 -13.806 -15.227  -2.667
  253   3HZ   LYS  37          3HZ       LYS  37 -15.366 -15.756  -2.649
  254    H    ASP  38           H        ASP  38 -15.082  -9.765   0.447
  255    HA   ASP  38           HA       ASP  38 -15.605 -10.945   3.053
  256   1HB   ASP  38          2HB       ASP  38 -14.844  -8.336   3.175
  257   2HB   ASP  38          3HB       ASP  38 -16.505  -8.090   2.666
  258    H    VAL  39           H        VAL  39 -17.854 -11.268   3.281
  259    HA   VAL  39           HA       VAL  39 -19.796 -10.329   1.372
  260    HB   VAL  39           HB       VAL  39 -18.789 -13.169   1.224
  261   1HG1  VAL  39          1HG1      VAL  39 -20.910 -13.896   1.137
  262   2HG1  VAL  39          2HG1      VAL  39 -21.593 -12.271   0.934
  263   3HG1  VAL  39          3HG1      VAL  39 -21.004 -13.168  -0.476
  264   1HG2  VAL  39          1HG2      VAL  39 -19.109 -10.897  -0.717
  265   2HG2  VAL  39          2HG2      VAL  39 -17.732 -11.999  -0.469
  266   3HG2  VAL  39          3HG2      VAL  39 -19.164 -12.556  -1.346
  267    H    LYS  40           H        LYS  40 -20.313  -9.530   3.518
  268    HA   LYS  40           HA       LYS  40 -21.033 -11.046   5.711
  269   1HB   LYS  40          2HB       LYS  40 -22.276  -8.537   4.529
  270   2HB   LYS  40          3HB       LYS  40 -22.903  -9.246   6.018
  271   1HG   LYS  40          2HG       LYS  40 -20.674  -9.137   7.051
  272   2HG   LYS  40          3HG       LYS  40 -20.005  -8.397   5.595
  273   1HD   LYS  40          2HD       LYS  40 -20.856  -6.361   6.040
  274   2HD   LYS  40          3HD       LYS  40 -22.405  -6.981   6.603
  275   1HE   LYS  40          2HE       LYS  40 -21.843  -6.909   8.753
  276   2HE   LYS  40          3HE       LYS  40 -20.297  -7.710   8.485
  277   1HZ   LYS  40          1HZ       LYS  40 -20.238  -5.309   9.299
  278   2HZ   LYS  40          2HZ       LYS  40 -19.256  -5.702   8.039
  279   3HZ   LYS  40          3HZ       LYS  40 -20.652  -4.884   7.767
  280    H    GLU  41           H        GLU  41 -22.804 -12.174   6.411
  281    HA   GLU  41           HA       GLU  41 -24.831 -12.993   4.361
  282   1HB   GLU  41          2HB       GLU  41 -22.974 -14.593   6.065
  283   2HB   GLU  41          3HB       GLU  41 -24.606 -15.205   5.915
  284   1HG   GLU  41          2HG       GLU  41 -23.258 -14.316   3.375
  285   2HG   GLU  41          3HG       GLU  41 -22.698 -15.807   4.127
  286    H    LYS  42           H        LYS  42 -25.145 -10.846   6.106
  287    HA   LYS  42           HA       LYS  42 -27.499 -11.847   7.618
  288   1HB   LYS  42          2HB       LYS  42 -25.565 -11.787   9.212
  289   2HB   LYS  42          3HB       LYS  42 -25.405 -10.056   8.921
  290   1HG   LYS  42          2HG       LYS  42 -27.473  -9.546   9.943
  291   2HG   LYS  42          3HG       LYS  42 -28.107 -11.186   9.715
  292   1HD   LYS  42          2HD       LYS  42 -26.533 -12.066  11.374
  293   2HD   LYS  42          3HD       LYS  42 -25.828 -10.454  11.581
  294   1HE   LYS  42          2HE       LYS  42 -28.658 -10.166  11.906
  295   2HE   LYS  42          3HE       LYS  42 -28.227 -11.641  12.762
  296   1HZ   LYS  42          1HZ       LYS  42 -26.333 -10.121  13.678
  297   2HZ   LYS  42          2HZ       LYS  42 -27.344  -8.894  13.268
  298   3HZ   LYS  42          3HZ       LYS  42 -27.827 -10.029  14.355
  299    H    LEU  43           H        LEU  43 -28.301 -10.979   5.593
  300    HA   LEU  43           HA       LEU  43 -28.231  -8.387   4.715
  301   1HB   LEU  43          2HB       LEU  43 -30.388  -8.733   3.713
  302   2HB   LEU  43          3HB       LEU  43 -29.488 -10.224   3.647
  303    HG   LEU  43           HG       LEU  43 -30.824 -10.661   5.969
  304   1HD1  LEU  43          1HD1      LEU  43 -32.839  -9.581   6.227
  305   2HD1  LEU  43          2HD1      LEU  43 -31.988  -8.271   5.416
  306   3HD1  LEU  43          3HD1      LEU  43 -33.056  -9.306   4.479
  307   1HD2  LEU  43          1HD2      LEU  43 -32.297 -12.083   4.786
  308   2HD2  LEU  43          2HD2      LEU  43 -32.221 -11.080   3.313
  309   3HD2  LEU  43          3HD2      LEU  43 -30.812 -12.025   3.828
  310    H    GLU  44           H        GLU  44 -29.654  -6.510   5.013
  311    HA   GLU  44           HA       GLU  44 -30.805  -6.337   7.732
  312   1HB   GLU  44          2HB       GLU  44 -28.292  -5.496   7.498
  313   2HB   GLU  44          3HB       GLU  44 -29.070  -4.100   6.746
  314   1HG   GLU  44          2HG       GLU  44 -30.673  -4.491   8.984
  315   2HG   GLU  44          3HG       GLU  44 -29.126  -5.086   9.575
  316    H    ASN  45           H        ASN  45 -32.742  -5.468   7.662
  317    HA   ASN  45           HA       ASN  45 -33.346  -3.337   5.797
  318   1HB   ASN  45          2HB       ASN  45 -34.270  -6.161   5.381
  319   2HB   ASN  45          3HB       ASN  45 -35.571  -4.984   5.371
  320   1HD2  ASN  45          1HD2      ASN  45 -34.417  -6.625   3.222
  321   2HD2  ASN  45          2HD2      ASN  45 -34.004  -5.419   1.982
  322    H    TYR  46           H        TYR  46 -35.411  -2.388   6.270
  323    HA   TYR  46           HA       TYR  46 -37.082  -3.159   8.472
  324   1HB   TYR  46          2HB       TYR  46 -35.323  -2.706   9.968
  325   2HB   TYR  46          3HB       TYR  46 -34.679  -1.396   8.980
  326    HD1  TYR  46           HD1      TYR  46 -37.321  -2.344  11.394
  327    HD2  TYR  46           HD2      TYR  46 -35.474   0.847   9.190
  328    HE1  TYR  46           HE1      TYR  46 -38.504  -0.684  12.823
  329    HE2  TYR  46           HE2      TYR  46 -36.677   2.525  10.595
  330    HH   TYR  46           HH       TYR  46 -38.351   1.589  13.484
  331    H    LYS  47           H        LYS  47 -38.938  -2.338   7.752
  332    HA   LYS  47           HA       LYS  47 -38.926   0.486   6.859
  333   1HB   LYS  47          2HB       LYS  47 -39.626  -1.829   5.231
  334   2HB   LYS  47          3HB       LYS  47 -41.065  -0.888   5.519
  335   1HG   LYS  47          2HG       LYS  47 -40.270   0.198   3.644
  336   2HG   LYS  47          3HG       LYS  47 -39.477   1.191   4.866
  337   1HD   LYS  47          2HD       LYS  47 -37.400   0.221   4.595
  338   2HD   LYS  47          3HD       LYS  47 -38.026  -1.219   3.767
  339   1HE   LYS  47          2HE       LYS  47 -38.434  -0.100   1.773
  340   2HE   LYS  47          3HE       LYS  47 -38.497   1.489   2.531
  341   1HZ   LYS  47          1HZ       LYS  47 -36.411   1.177   1.330
  342   2HZ   LYS  47          2HZ       LYS  47 -36.121   1.338   2.942
  343   3HZ   LYS  47          3HZ       LYS  47 -36.039  -0.142   2.246
  344    HA   PRO  48           HA       PRO  48 -42.137   1.106   9.676
  345   1HB   PRO  48          2HB       PRO  48 -43.700   3.052   8.398
  346   2HB   PRO  48          3HB       PRO  48 -42.155   3.340   9.227
  347   1HG   PRO  48          2HG       PRO  48 -42.742   3.251   6.318
  348   2HG   PRO  48          3HG       PRO  48 -41.398   4.041   7.181
  349   1HD   PRO  48          2HD       PRO  48 -41.406   1.556   5.795
  350   2HD   PRO  48          3HD       PRO  48 -40.061   2.282   6.736
  351    H    LYS  49           H        LYS  49 -44.784   1.664   9.366
  352    HA   LYS  49           HA       LYS  49 -45.865  -0.830   8.120
  353   1HB   LYS  49          2HB       LYS  49 -47.643  -0.686   9.793
  354   2HB   LYS  49          3HB       LYS  49 -46.059  -0.897  10.528
  355   1HG   LYS  49          2HG       LYS  49 -46.202   1.038  11.713
  356   2HG   LYS  49          3HG       LYS  49 -46.631   1.967  10.299
  357   1HD   LYS  49          2HD       LYS  49 -48.988   0.798  10.579
  358   2HD   LYS  49          3HD       LYS  49 -48.455   0.611  12.262
  359   1HE   LYS  49          2HE       LYS  49 -48.483   2.927  12.625
  360   2HE   LYS  49          3HE       LYS  49 -48.058   3.279  10.949
  361   1HZ   LYS  49          1HZ       LYS  49 -50.395   2.264  10.491
  362   2HZ   LYS  49          2HZ       LYS  49 -50.715   2.781  12.027
  363   3HZ   LYS  49          3HZ       LYS  49 -50.230   3.833  10.846
  364    H    ASN  50           H        ASN  50 -47.673  -0.693   6.890
  365    HA   ASN  50           HA       ASN  50 -48.284   1.956   5.729
  366   1HB   ASN  50          2HB       ASN  50 -49.266  -0.780   4.832
  367   2HB   ASN  50          3HB       ASN  50 -49.234   0.717   3.895
  368   1HD2  ASN  50          1HD2      ASN  50 -48.135  -1.989   3.412
  369   2HD2  ASN  50          2HD2      ASN  50 -46.411  -1.706   3.109
  Start of MODEL    4
    1   1H    ASP   1           H1       ASP   1   0.789   0.920   0.064
    2   2H    ASP   1           H2       ASP   1   1.941  -0.024   0.814
    3   3H    ASP   1           H3       ASP   1   0.689  -0.751   0.081
    4    HA   ASP   1           HA       ASP   1   3.126  -0.086  -1.030
    5   1HB   ASP   1          2HB       ASP   1   0.657  -0.940  -2.589
    6   2HB   ASP   1          3HB       ASP   1   2.355  -1.258  -2.967
    7    H    GLU   2           H        GLU   2   3.514   1.092  -3.012
    8    HA   GLU   2           HA       GLU   2   1.624   3.332  -3.571
    9   1HB   GLU   2          2HB       GLU   2   3.967   4.556  -3.921
   10   2HB   GLU   2          3HB       GLU   2   3.090   4.617  -2.413
   11   1HG   GLU   2          2HG       GLU   2   5.270   2.553  -3.014
   12   2HG   GLU   2          3HG       GLU   2   5.604   4.113  -2.273
   13    H    ALA   3           H        ALA   3   1.105   3.216  -5.594
   14    HA   ALA   3           HA       ALA   3   2.674   3.408  -7.862
   15   1HB   ALA   3          1HB       ALA   3   2.414   0.514  -6.997
   16   2HB   ALA   3          2HB       ALA   3   2.477   0.909  -8.735
   17   3HB   ALA   3          3HB       ALA   3   3.808   1.359  -7.695
   18    H    GLN   4           H        GLN   4   0.448   0.721  -8.029
   19    HA   GLN   4           HA       GLN   4  -1.298   1.822  -9.907
   20   1HB   GLN   4          2HB       GLN   4  -1.693  -0.329  -7.787
   21   2HB   GLN   4          3HB       GLN   4  -2.926   0.039  -8.989
   22   1HG   GLN   4          2HG       GLN   4  -1.877  -1.112 -10.611
   23   2HG   GLN   4          3HG       GLN   4  -0.335  -0.316 -10.312
   24   1HE2  GLN   4          1HE2      GLN   4   1.181  -1.261  -8.720
   25   2HE2  GLN   4          2HE2      GLN   4   0.857  -2.920  -8.208
   26    H    PHE   5           H        PHE   5  -1.262   2.251  -6.493
   27    HA   PHE   5           HA       PHE   5  -3.833   3.663  -6.330
   28   1HB   PHE   5          2HB       PHE   5  -2.764   2.166  -4.511
   29   2HB   PHE   5          3HB       PHE   5  -1.577   3.443  -4.282
   30    HD1  PHE   5           HD1      PHE   5  -4.834   2.233  -3.427
   31    HD2  PHE   5           HD2      PHE   5  -2.494   5.878  -3.684
   32    HE1  PHE   5           HE1      PHE   5  -6.348   3.360  -1.845
   33    HE2  PHE   5           HE2      PHE   5  -4.063   6.969  -2.128
   34    HZ   PHE   5           HZ       PHE   5  -6.034   5.754  -1.271
   35    H    LYS   6           H        LYS   6  -0.389   4.452  -6.211
   36    HA   LYS   6           HA       LYS   6  -0.757   7.286  -5.674
   37   1HB   LYS   6          2HB       LYS   6   1.457   5.628  -5.661
   38   2HB   LYS   6          3HB       LYS   6   1.657   6.440  -7.224
   39   1HG   LYS   6          2HG       LYS   6   1.320   8.655  -5.958
   40   2HG   LYS   6          3HG       LYS   6   1.351   7.692  -4.461
   41   1HD   LYS   6          2HD       LYS   6   3.633   6.788  -5.300
   42   2HD   LYS   6          3HD       LYS   6   3.554   8.093  -6.516
   43   1HE   LYS   6          2HE       LYS   6   3.223   9.729  -4.604
   44   2HE   LYS   6          3HE       LYS   6   3.507   8.396  -3.471
   45   1HZ   LYS   6          1HZ       LYS   6   5.531   9.705  -3.983
   46   2HZ   LYS   6          2HZ       LYS   6   5.715   8.125  -4.397
   47   3HZ   LYS   6          3HZ       LYS   6   5.425   9.257  -5.563
   48    H    GLU   7           H        GLU   7  -0.898   5.339  -8.529
   49    HA   GLU   7           HA       GLU   7  -0.952   7.620 -10.325
   50   1HB   GLU   7          2HB       GLU   7  -0.684   4.735 -10.607
   51   2HB   GLU   7          3HB       GLU   7  -2.060   5.249 -11.557
   52   1HG   GLU   7          2HG       GLU   7   0.419   6.935 -11.821
   53   2HG   GLU   7          3HG       GLU   7   0.532   5.287 -12.421
   54    H    CYS   8           H        CYS   8  -3.329   5.616  -8.649
   55    HA   CYS   8           HA       CYS   8  -5.576   6.744 -10.141
   56   1HB   CYS   8          2HB       CYS   8  -5.226   4.520  -8.562
   57   2HB   CYS   8          3HB       CYS   8  -5.895   5.623  -7.395
   58    H    TYR   9           H        TYR   9  -3.979   7.315  -6.985
   59    HA   TYR   9           HA       TYR   9  -5.679   9.391  -6.107
   60   1HB   TYR   9          2HB       TYR   9  -3.803   8.054  -4.911
   61   2HB   TYR   9          3HB       TYR   9  -2.667   9.171  -5.620
   62    HD1  TYR   9           HD1      TYR   9  -2.846  11.676  -5.022
   63    HD2  TYR   9           HD2      TYR   9  -5.120   8.584  -3.042
   64    HE1  TYR   9           HE1      TYR   9  -3.167  13.154  -3.061
   65    HE2  TYR   9           HE2      TYR   9  -5.299  10.042  -1.045
   66    HH   TYR   9           HH       TYR   9  -5.488  12.484  -0.632
   67    H    ASP  10           H        ASP  10  -2.558   9.631  -7.832
   68    HA   ASP  10           HA       ASP  10  -2.553  12.475  -8.044
   69   1HB   ASP  10          2HB       ASP  10  -0.674  10.653  -8.503
   70   2HB   ASP  10          3HB       ASP  10  -1.271  10.677 -10.151
   71    H    THR  11           H        THR  11  -3.430   9.962 -10.417
   72    HA   THR  11           HA       THR  11  -4.387  11.689 -12.436
   73    HB   THR  11           HB       THR  11  -5.121   8.784 -11.922
   74    HG1  THR  11           1HG      THR  11  -3.064   8.703 -12.460
   75   1HG2  THR  11          1HG2      THR  11  -5.602  10.623 -14.246
   76   2HG2  THR  11          2HG2      THR  11  -5.134   8.938 -14.550
   77   3HG2  THR  11          3HG2      THR  11  -6.602   9.278 -13.618
   78    H    CYS  12           H        CYS  12  -6.146  10.014  -9.795
   79    HA   CYS  12           HA       CYS  12  -8.757  10.905 -10.474
   80   1HB   CYS  12          2HB       CYS  12  -8.352   9.151  -8.787
   81   2HB   CYS  12          3HB       CYS  12  -7.635  10.355  -7.704
   82    H    HIS  13           H        HIS  13  -6.138  12.393  -8.472
   83    HA   HIS  13           HA       HIS  13  -7.511  14.740  -7.732
   84   1HB   HIS  13          2HB       HIS  13  -5.067  13.866  -7.170
   85   2HB   HIS  13          3HB       HIS  13  -4.636  14.916  -8.496
   86    HD1  HIS  13           HD1      HIS  13  -4.304  17.347  -7.818
   87    HD2  HIS  13           HD2      HIS  13  -6.540  15.060  -5.081
   88    HE1  HIS  13           HE1      HIS  13  -4.711  18.883  -5.744
   89    HE2  HIS  13           HE2      HIS  13  -6.121  17.439  -4.071
   90    H    LYS  14           H        LYS  14  -5.828  14.039 -10.737
   91    HA   LYS  14           HA       LYS  14  -6.120  16.603 -11.987
   92   1HB   LYS  14          2HB       LYS  14  -5.334  13.883 -12.775
   93   2HB   LYS  14          3HB       LYS  14  -6.311  14.618 -14.029
   94   1HG   LYS  14          2HG       LYS  14  -4.034  16.164 -12.737
   95   2HG   LYS  14          3HG       LYS  14  -3.693  14.891 -13.904
   96   1HD   LYS  14          2HD       LYS  14  -3.836  16.603 -15.366
   97   2HD   LYS  14          3HD       LYS  14  -5.535  16.150 -15.394
   98   1HE   LYS  14          2HE       LYS  14  -6.219  18.099 -14.423
   99   2HE   LYS  14          3HE       LYS  14  -4.958  18.008 -13.191
  100   1HZ   LYS  14          1HZ       LYS  14  -4.400  19.881 -14.498
  101   2HZ   LYS  14          2HZ       LYS  14  -3.379  18.698 -15.012
  102   3HZ   LYS  14          3HZ       LYS  14  -4.698  19.102 -15.918
  103    H    GLU  15           H        GLU  15  -8.228  13.743 -12.432
  104    HA   GLU  15           HA       GLU  15 -10.361  15.336 -13.658
  105   1HB   GLU  15          2HB       GLU  15  -9.852  12.774 -13.871
  106   2HB   GLU  15          3HB       GLU  15 -10.701  12.645 -12.330
  107   1HG   GLU  15          2HG       GLU  15 -12.401  14.286 -13.897
  108   2HG   GLU  15          3HG       GLU  15 -11.689  13.225 -15.086
  109    H    CYS  16           H        CYS  16  -9.364  14.928 -10.444
  110    HA   CYS  16           HA       CYS  16 -11.873  15.361  -9.201
  111   1HB   CYS  16          2HB       CYS  16  -9.977  14.254  -8.070
  112   2HB   CYS  16          3HB       CYS  16  -9.161  15.808  -7.975
  113    H    SER  17           H        SER  17  -8.952  17.419  -9.313
  114    HA   SER  17           HA       SER  17 -10.110  19.876  -8.515
  115   1HB   SER  17          2HB       SER  17  -7.582  19.070  -9.426
  116   2HB   SER  17          3HB       SER  17  -8.132  20.229 -10.631
  117    HG   SER  17           HG       SER  17  -8.703  21.581  -8.754
  118    H    ASP  18           H        ASP  18 -10.369  18.211 -11.590
  119    HA   ASP  18           HA       ASP  18 -11.310  20.230 -13.362
  120   1HB   ASP  18          2HB       ASP  18 -10.892  18.095 -14.288
  121   2HB   ASP  18          3HB       ASP  18 -11.811  17.302 -13.036
  122    H    LYS  19           H        LYS  19 -13.045  18.445 -10.748
  123    HA   LYS  19           HA       LYS  19 -15.561  19.479 -11.341
  124   1HB   LYS  19          2HB       LYS  19 -14.277  17.935  -9.187
  125   2HB   LYS  19          3HB       LYS  19 -15.321  19.097  -8.509
  126   1HG   LYS  19          2HG       LYS  19 -16.500  17.672 -10.858
  127   2HG   LYS  19          3HG       LYS  19 -15.874  16.553  -9.668
  128   1HD   LYS  19          2HD       LYS  19 -17.414  18.720  -8.375
  129   2HD   LYS  19          3HD       LYS  19 -18.347  17.915  -9.642
  130   1HE   LYS  19          2HE       LYS  19 -17.944  15.739  -8.680
  131   2HE   LYS  19          3HE       LYS  19 -16.813  16.397  -7.490
  132   1HZ   LYS  19          1HZ       LYS  19 -18.509  17.149  -6.218
  133   2HZ   LYS  19          2HZ       LYS  19 -19.405  17.663  -7.498
  134   3HZ   LYS  19          3HZ       LYS  19 -19.462  16.077  -7.051
  135    H    GLY  20           H        GLY  20 -12.915  21.155 -10.398
  136   1HA   GLY  20          2HA       GLY  20 -12.572  23.401 -10.069
  137   2HA   GLY  20          3HA       GLY  20 -14.324  23.653  -9.982
  138    H    ASN  21           H        ASN  21 -13.158  21.188  -7.945
  139    HA   ASN  21           HA       ASN  21 -13.773  22.660  -5.495
  140   1HB   ASN  21          2HB       ASN  21 -13.158  20.415  -4.473
  141   2HB   ASN  21          3HB       ASN  21 -14.565  20.389  -5.508
  142   1HD2  ASN  21          1HD2      ASN  21 -13.902  17.947  -5.331
  143   2HD2  ASN  21          2HD2      ASN  21 -12.755  17.541  -6.634
  144    H    GLY  22           H        GLY  22 -12.165  22.036  -3.700
  145   1HA   GLY  22          2HA       GLY  22  -9.599  23.367  -4.358
  146   2HA   GLY  22          3HA       GLY  22 -10.188  22.969  -2.732
  147    H    PHE  23           H        PHE  23  -7.572  22.495  -3.788
  148    HA   PHE  23           HA       PHE  23  -7.013  19.908  -4.597
  149   1HB   PHE  23          2HB       PHE  23  -5.270  21.482  -2.658
  150   2HB   PHE  23          3HB       PHE  23  -4.781  20.335  -3.884
  151    HD1  PHE  23           HD1      PHE  23  -5.688  23.769  -3.101
  152    HD2  PHE  23           HD2      PHE  23  -4.968  21.000  -6.348
  153    HE1  PHE  23           HE1      PHE  23  -5.427  25.664  -4.669
  154    HE2  PHE  23           HE2      PHE  23  -4.682  22.896  -7.898
  155    HZ   PHE  23           HZ       PHE  23  -4.903  25.235  -7.064
  156    H    THR  24           H        THR  24  -6.744  21.103  -1.246
  157    HA   THR  24           HA       THR  24  -6.252  18.763   0.132
  158    HB   THR  24           HB       THR  24  -7.482  21.391   0.790
  159    HG1  THR  24           1HG      THR  24  -5.698  21.448   1.955
  160   1HG2  THR  24          1HG2      THR  24  -7.808  20.573   3.238
  161   2HG2  THR  24          2HG2      THR  24  -9.108  20.311   2.082
  162   3HG2  THR  24          3HG2      THR  24  -8.035  18.970   2.529
  163    H    PHE  25           H        PHE  25  -9.540  20.103  -0.343
  164    HA   PHE  25           HA       PHE  25 -10.974  17.856   0.608
  165   1HB   PHE  25          2HB       PHE  25 -12.050  19.992   0.175
  166   2HB   PHE  25          3HB       PHE  25 -11.561  19.952  -1.522
  167    HD1  PHE  25           HD1      PHE  25 -12.798  18.738  -3.193
  168    HD2  PHE  25           HD2      PHE  25 -13.779  18.302   0.992
  169    HE1  PHE  25           HE1      PHE  25 -14.957  17.658  -3.799
  170    HE2  PHE  25           HE2      PHE  25 -15.900  17.186   0.376
  171    HZ   PHE  25           HZ       PHE  25 -16.498  16.869  -2.021
  172    H    CYS  26           H        CYS  26  -9.613  18.519  -2.689
  173    HA   CYS  26           HA       CYS  26 -10.745  16.246  -3.870
  174   1HB   CYS  26          2HB       CYS  26  -8.687  18.276  -4.538
  175   2HB   CYS  26          3HB       CYS  26  -8.347  16.673  -5.142
  176    H    GLU  27           H        GLU  27  -7.869  16.712  -1.858
  177    HA   GLU  27           HA       GLU  27  -6.620  14.208  -2.469
  178   1HB   GLU  27          2HB       GLU  27  -6.097  16.548  -0.750
  179   2HB   GLU  27          3HB       GLU  27  -5.931  15.059   0.142
  180   1HG   GLU  27          2HG       GLU  27  -4.589  14.500  -2.211
  181   2HG   GLU  27          3HG       GLU  27  -4.362  16.202  -2.125
  182    H    MET  28           H        MET  28  -8.195  15.301   0.559
  183    HA   MET  28           HA       MET  28  -8.504  12.798   1.757
  184   1HB   MET  28          2HB       MET  28  -9.533  15.466   2.174
  185   2HB   MET  28          3HB       MET  28 -10.922  14.386   2.169
  186   1HG   MET  28          2HG       MET  28  -9.464  12.915   3.790
  187   2HG   MET  28          3HG       MET  28  -8.565  14.426   4.028
  188   1HE   MET  28          1HE       MET  28 -10.866  13.959   7.214
  189   2HE   MET  28          2HE       MET  28  -9.797  12.879   6.283
  190   3HE   MET  28          3HE       MET  28  -9.251  14.522   6.709
  191    H    LYS  29           H        LYS  29 -10.283  14.065  -0.907
  192    HA   LYS  29           HA       LYS  29 -12.351  11.986  -0.819
  193   1HB   LYS  29          2HB       LYS  29 -12.675  14.436  -1.623
  194   2HB   LYS  29          3HB       LYS  29 -11.925  13.918  -3.121
  195   1HG   LYS  29          2HG       LYS  29 -14.231  12.388  -1.815
  196   2HG   LYS  29          3HG       LYS  29 -14.543  13.835  -2.774
  197   1HD   LYS  29          2HD       LYS  29 -13.338  12.769  -4.714
  198   2HD   LYS  29          3HD       LYS  29 -13.176  11.286  -3.746
  199   1HE   LYS  29          2HE       LYS  29 -15.642  11.219  -3.477
  200   2HE   LYS  29          3HE       LYS  29 -15.762  12.601  -4.579
  201   1HZ   LYS  29          1HZ       LYS  29 -15.989  10.511  -5.852
  202   2HZ   LYS  29          2HZ       LYS  29 -14.526  11.144  -6.264
  203   3HZ   LYS  29          3HZ       LYS  29 -14.568   9.929  -5.270
  204    H    CYS  30           H        CYS  30  -9.897  12.911  -3.271
  205    HA   CYS  30           HA       CYS  30  -9.935  10.642  -4.886
  206   1HB   CYS  30          2HB       CYS  30  -7.677  12.449  -4.021
  207   2HB   CYS  30          3HB       CYS  30  -7.486  11.178  -5.218
  208    H    ASP  31           H        ASP  31  -8.440  11.064  -1.720
  209    HA   ASP  31           HA       ASP  31  -6.889   8.731  -1.501
  210   1HB   ASP  31          2HB       ASP  31  -7.229  10.893   0.082
  211   2HB   ASP  31          3HB       ASP  31  -8.439   9.912   0.851
  212    H    THR  32           H        THR  32 -10.091   9.335  -0.196
  213    HA   THR  32           HA       THR  32 -10.662   6.515   0.215
  214    HB   THR  32           HB       THR  32 -12.115   9.077   0.649
  215    HG1  THR  32           1HG      THR  32 -11.702   8.470   2.573
  216   1HG2  THR  32          1HG2      THR  32 -13.499   6.373   0.570
  217   2HG2  THR  32          2HG2      THR  32 -14.161   7.813   1.373
  218   3HG2  THR  32          3HG2      THR  32 -13.914   7.818  -0.387
  219    H    ASP  33           H        ASP  33 -11.015   8.620  -2.537
  220    HA   ASP  33           HA       ASP  33 -13.110   7.356  -3.914
  221   1HB   ASP  33          2HB       ASP  33 -12.138   9.521  -4.584
  222   2HB   ASP  33          3HB       ASP  33 -10.620   8.714  -4.991
  223    H    CYS  34           H        CYS  34  -9.660   7.048  -4.634
  224    HA   CYS  34           HA       CYS  34 -10.123   4.358  -5.758
  225   1HB   CYS  34          2HB       CYS  34  -7.733   6.214  -5.709
  226   2HB   CYS  34          3HB       CYS  34  -7.663   4.552  -6.306
  227    H    SER  35           H        SER  35 -10.776   4.260  -3.176
  228    HA   SER  35           HA       SER  35  -8.474   3.255  -1.620
  229   1HB   SER  35          2HB       SER  35  -9.712   3.345   0.331
  230   2HB   SER  35          3HB       SER  35  -9.878   4.870  -0.533
  231    HG   SER  35           HG       SER  35 -11.766   2.728  -0.395
  232    H    VAL  36           H        VAL  36  -8.016   1.351  -2.569
  233    HA   VAL  36           HA       VAL  36 -10.038  -0.584  -3.033
  234    HB   VAL  36           HB       VAL  36  -7.158  -1.338  -2.934
  235   1HG1  VAL  36          1HG1      VAL  36  -8.004  -3.193  -3.913
  236   2HG1  VAL  36          2HG1      VAL  36  -9.628  -2.482  -4.005
  237   3HG1  VAL  36          3HG1      VAL  36  -8.490  -2.235  -5.315
  238   1HG2  VAL  36          1HG2      VAL  36  -8.370   0.595  -4.904
  239   2HG2  VAL  36          2HG2      VAL  36  -6.784   0.607  -4.116
  240   3HG2  VAL  36          3HG2      VAL  36  -7.097  -0.519  -5.437
  241    H    LYS  37           H        LYS  37  -9.092  -2.911  -2.115
  242    HA   LYS  37           HA       LYS  37  -9.842  -2.816   0.706
  243   1HB   LYS  37          2HB       LYS  37 -10.093  -4.777  -1.252
  244   2HB   LYS  37          3HB       LYS  37  -8.782  -5.434  -0.274
  245   1HG   LYS  37          2HG       LYS  37 -11.460  -4.428   0.781
  246   2HG   LYS  37          3HG       LYS  37 -11.056  -6.127   0.496
  247   1HD   LYS  37          2HD       LYS  37  -9.308  -6.070   2.221
  248   2HD   LYS  37          3HD       LYS  37  -9.490  -4.325   2.422
  249   1HE   LYS  37          2HE       LYS  37 -10.736  -4.982   4.183
  250   2HE   LYS  37          3HE       LYS  37 -11.983  -4.815   2.938
  251   1HZ   LYS  37          1HZ       LYS  37 -10.681  -7.325   3.832
  252   2HZ   LYS  37          2HZ       LYS  37 -12.262  -6.918   4.056
  253   3HZ   LYS  37          3HZ       LYS  37 -11.698  -7.253   2.540
  254    H    ASP  38           H        ASP  38  -8.314  -1.498   1.610
  255    HA   ASP  38           HA       ASP  38  -5.505  -2.285   1.644
  256   1HB   ASP  38          2HB       ASP  38  -6.946   0.140   2.091
  257   2HB   ASP  38          3HB       ASP  38  -6.304  -0.315   3.669
  258    H    VAL  39           H        VAL  39  -4.482  -3.266   3.257
  259    HA   VAL  39           HA       VAL  39  -5.609  -3.708   5.921
  260    HB   VAL  39           HB       VAL  39  -5.422  -5.982   3.925
  261   1HG1  VAL  39          1HG1      VAL  39  -4.939  -6.088   6.876
  262   2HG1  VAL  39          2HG1      VAL  39  -6.066  -7.305   6.255
  263   3HG1  VAL  39          3HG1      VAL  39  -4.449  -7.188   5.579
  264   1HG2  VAL  39          1HG2      VAL  39  -7.619  -5.182   3.958
  265   2HG2  VAL  39          2HG2      VAL  39  -7.701  -6.544   5.064
  266   3HG2  VAL  39          3HG2      VAL  39  -7.613  -4.893   5.711
  267    H    LYS  40           H        LYS  40  -3.757  -2.412   6.211
  268    HA   LYS  40           HA       LYS  40  -1.122  -2.927   5.647
  269   1HB   LYS  40          2HB       LYS  40  -0.546  -1.998   7.880
  270   2HB   LYS  40          3HB       LYS  40  -1.641  -0.990   6.945
  271   1HG   LYS  40          2HG       LYS  40  -3.415  -1.260   8.391
  272   2HG   LYS  40          3HG       LYS  40  -3.052  -2.917   8.755
  273   1HD   LYS  40          2HD       LYS  40  -2.442  -2.211  10.770
  274   2HD   LYS  40          3HD       LYS  40  -0.916  -1.791  10.007
  275   1HE   LYS  40          2HE       LYS  40  -2.729   0.357   9.453
  276   2HE   LYS  40          3HE       LYS  40  -3.011  -0.070  11.144
  277   1HZ   LYS  40          1HZ       LYS  40  -0.891   0.578  11.706
  278   2HZ   LYS  40          2HZ       LYS  40  -0.243   0.178  10.243
  279   3HZ   LYS  40          3HZ       LYS  40  -1.086   1.579  10.404
  280    H    GLU  41           H        GLU  41   0.234  -4.530   5.847
  281    HA   GLU  41           HA       GLU  41  -0.561  -6.931   7.296
  282   1HB   GLU  41          2HB       GLU  41   1.269  -6.211   5.155
  283   2HB   GLU  41          3HB       GLU  41   2.170  -7.089   6.368
  284   1HG   GLU  41          2HG       GLU  41  -0.545  -8.048   5.341
  285   2HG   GLU  41          3HG       GLU  41   0.947  -8.442   4.495
  286    H    LYS  42           H        LYS  42   1.445  -8.083   8.431
  287    HA   LYS  42           HA       LYS  42   1.985  -6.319  10.763
  288   1HB   LYS  42          2HB       LYS  42   1.106  -8.992  10.602
  289   2HB   LYS  42          3HB       LYS  42   2.817  -9.147  10.961
  290   1HG   LYS  42          2HG       LYS  42   2.138  -7.130  12.715
  291   2HG   LYS  42          3HG       LYS  42   0.582  -7.934  12.550
  292   1HD   LYS  42          2HD       LYS  42   1.265  -9.425  14.065
  293   2HD   LYS  42          3HD       LYS  42   2.432 -10.065  12.908
  294   1HE   LYS  42          2HE       LYS  42   4.227  -9.001  13.824
  295   2HE   LYS  42          3HE       LYS  42   3.315  -7.559  14.270
  296   1HZ   LYS  42          1HZ       LYS  42   2.441  -8.618  16.153
  297   2HZ   LYS  42          2HZ       LYS  42   2.923 -10.120  15.669
  298   3HZ   LYS  42          3HZ       LYS  42   4.044  -9.024  16.174
  299    H    LEU  43           H        LEU  43   3.396  -5.078   9.500
  300    HA   LEU  43           HA       LEU  43   5.742  -5.797   8.237
  301   1HB   LEU  43          2HB       LEU  43   4.818  -3.433   9.720
  302   2HB   LEU  43          3HB       LEU  43   6.554  -3.639   9.929
  303    HG   LEU  43           HG       LEU  43   5.291  -3.723   7.181
  304   1HD1  LEU  43          1HD1      LEU  43   5.476  -1.418   8.942
  305   2HD1  LEU  43          2HD1      LEU  43   6.556  -1.186   7.568
  306   3HD1  LEU  43          3HD1      LEU  43   4.852  -1.536   7.286
  307   1HD2  LEU  43          1HD2      LEU  43   7.774  -4.501   7.777
  308   2HD2  LEU  43          2HD2      LEU  43   7.450  -3.536   6.338
  309   3HD2  LEU  43          3HD2      LEU  43   8.102  -2.775   7.806
  310    H    GLU  44           H        GLU  44   7.849  -6.352   8.758
  311    HA   GLU  44           HA       GLU  44   8.381  -7.149  11.548
  312   1HB   GLU  44          2HB       GLU  44   7.577  -9.036   9.722
  313   2HB   GLU  44          3HB       GLU  44   9.319  -8.988   9.398
  314   1HG   GLU  44          2HG       GLU  44   9.645  -9.196  11.952
  315   2HG   GLU  44          3HG       GLU  44   7.907  -9.482  12.060
  316    H    ASN  45           H        ASN  45  10.657  -7.561  11.887
  317    HA   ASN  45           HA       ASN  45  12.746  -6.954  10.238
  318   1HB   ASN  45          2HB       ASN  45  11.297  -4.500  10.973
  319   2HB   ASN  45          3HB       ASN  45  12.857  -4.472  11.735
  320   1HD2  ASN  45          1HD2      ASN  45  13.439  -2.697  10.433
  321   2HD2  ASN  45          2HD2      ASN  45  13.871  -3.030   8.741
  322    H    TYR  46           H        TYR  46  14.607  -5.888  11.725
  323    HA   TYR  46           HA       TYR  46  14.542  -6.915  14.465
  324   1HB   TYR  46          2HB       TYR  46  16.327  -8.488  14.109
  325   2HB   TYR  46          3HB       TYR  46  15.051  -8.870  12.977
  326    HD1  TYR  46           HD1      TYR  46  18.509  -8.540  13.286
  327    HD2  TYR  46           HD2      TYR  46  15.312  -7.580  10.514
  328    HE1  TYR  46           HE1      TYR  46  20.105  -8.508  11.389
  329    HE2  TYR  46           HE2      TYR  46  16.940  -7.354   8.709
  330    HH   TYR  46           HH       TYR  46  20.181  -8.540   8.940
  331    H    LYS  47           H        LYS  47  17.072  -6.820  15.067
  332    HA   LYS  47           HA       LYS  47  18.066  -4.062  14.408
  333   1HB   LYS  47          2HB       LYS  47  18.903  -3.828  16.591
  334   2HB   LYS  47          3HB       LYS  47  17.204  -4.251  16.652
  335   1HG   LYS  47          2HG       LYS  47  17.689  -5.918  18.097
  336   2HG   LYS  47          3HG       LYS  47  18.512  -6.764  16.802
  337   1HD   LYS  47          2HD       LYS  47  20.567  -5.233  17.366
  338   2HD   LYS  47          3HD       LYS  47  19.669  -4.847  18.849
  339   1HE   LYS  47          2HE       LYS  47  19.492  -7.444  19.137
  340   2HE   LYS  47          3HE       LYS  47  20.701  -7.524  17.837
  341   1HZ   LYS  47          1HZ       LYS  47  21.959  -5.857  19.344
  342   2HZ   LYS  47          2HZ       LYS  47  20.985  -6.399  20.549
  343   3HZ   LYS  47          3HZ       LYS  47  21.987  -7.452  19.773
  344    HA   PRO  48           HA       PRO  48  21.234  -6.910  12.745
  345   1HB   PRO  48          2HB       PRO  48  22.001  -5.190  10.656
  346   2HB   PRO  48          3HB       PRO  48  20.847  -6.509  10.550
  347   1HG   PRO  48          2HG       PRO  48  20.292  -3.616  10.573
  348   2HG   PRO  48          3HG       PRO  48  19.223  -4.964  10.083
  349   1HD   PRO  48          2HD       PRO  48  19.179  -3.482  12.533
  350   2HD   PRO  48          3HD       PRO  48  18.162  -4.872  12.053
  351    H    LYS  49           H        LYS  49  23.398  -6.769  13.093
  352    HA   LYS  49           HA       LYS  49  24.497  -4.938  14.992
  353   1HB   LYS  49          2HB       LYS  49  25.539  -7.007  13.091
  354   2HB   LYS  49          3HB       LYS  49  26.717  -5.784  13.573
  355   1HG   LYS  49          2HG       LYS  49  26.553  -6.278  15.859
  356   2HG   LYS  49          3HG       LYS  49  25.020  -7.138  15.692
  357   1HD   LYS  49          2HD       LYS  49  26.082  -9.108  15.465
  358   2HD   LYS  49          3HD       LYS  49  26.915  -8.522  14.026
  359   1HE   LYS  49          2HE       LYS  49  28.694  -9.096  15.418
  360   2HE   LYS  49          3HE       LYS  49  28.556  -7.340  15.597
  361   1HZ   LYS  49          1HZ       LYS  49  28.565  -7.915  17.786
  362   2HZ   LYS  49          2HZ       LYS  49  26.956  -8.165  17.551
  363   3HZ   LYS  49          3HZ       LYS  49  27.998  -9.440  17.536
  364    H    ASN  50           H        ASN  50  25.457  -3.061  14.912
  365    HA   ASN  50           HA       ASN  50  25.059  -1.329  12.605
  366   1HB   ASN  50          2HB       ASN  50  24.889  -0.674  15.129
  367   2HB   ASN  50          3HB       ASN  50  26.673  -0.731  15.120
  368   1HD2  ASN  50          1HD2      ASN  50  27.602   0.612  13.360
  369   2HD2  ASN  50          2HD2      ASN  50  26.859   2.164  13.084
  Start of MODEL    5
    1   1H    ASP   1           H1       ASP   1   1.939   0.213   0.740
    2   2H    ASP   1           H2       ASP   1   0.777  -0.829   0.124
    3   3H    ASP   1           H3       ASP   1   0.577   0.758  -0.031
    4    HA   ASP   1           HA       ASP   1   1.881  -0.936  -1.820
    5   1HB   ASP   1          2HB       ASP   1   2.061   2.084  -1.994
    6   2HB   ASP   1          3HB       ASP   1   1.886   0.883  -3.281
    7    H    GLU   2           H        GLU   2   3.985  -1.619  -1.674
    8    HA   GLU   2           HA       GLU   2   6.264  -1.567  -1.400
    9   1HB   GLU   2          2HB       GLU   2   5.650   1.180  -2.109
   10   2HB   GLU   2          3HB       GLU   2   6.932   1.147  -0.892
   11   1HG   GLU   2          2HG       GLU   2   8.274  -0.314  -2.256
   12   2HG   GLU   2          3HG       GLU   2   6.925  -0.534  -3.406
   13    H    ALA   3           H        ALA   3   4.966   0.893   0.825
   14    HA   ALA   3           HA       ALA   3   6.675   0.601   2.984
   15   1HB   ALA   3          1HB       ALA   3   3.649   0.919   3.127
   16   2HB   ALA   3          2HB       ALA   3   4.813   1.328   4.397
   17   3HB   ALA   3          3HB       ALA   3   4.809   2.252   2.868
   18    H    GLN   4           H        GLN   4   3.749  -1.387   2.454
   19    HA   GLN   4           HA       GLN   4   3.903  -3.172   4.586
   20   1HB   GLN   4          2HB       GLN   4   2.878  -3.272   1.786
   21   2HB   GLN   4          3HB       GLN   4   3.240  -4.853   2.454
   22   1HG   GLN   4          2HG       GLN   4   1.646  -4.740   4.107
   23   2HG   GLN   4          3HG       GLN   4   1.689  -2.973   4.205
   24   1HE2  GLN   4          1HE2      GLN   4   0.027  -1.903   3.292
   25   2HE2  GLN   4          2HE2      GLN   4  -1.005  -2.638   2.047
   26    H    PHE   5           H        PHE   5   6.086  -3.103   1.883
   27    HA   PHE   5           HA       PHE   5   7.560  -5.595   2.607
   28   1HB   PHE   5          2HB       PHE   5   6.956  -4.765   0.162
   29   2HB   PHE   5          3HB       PHE   5   8.136  -3.489   0.469
   30    HD1  PHE   5           HD1      PHE   5   7.673  -6.995  -0.147
   31    HD2  PHE   5           HD2      PHE   5  10.551  -3.913   0.881
   32    HE1  PHE   5           HE1      PHE   5   9.489  -8.424  -0.885
   33    HE2  PHE   5           HE2      PHE   5  12.390  -5.412   0.178
   34    HZ   PHE   5           HZ       PHE   5  11.888  -7.703  -0.594
   35    H    LYS   6           H        LYS   6   7.930  -1.994   2.394
   36    HA   LYS   6           HA       LYS   6  10.674  -1.922   3.318
   37   1HB   LYS   6          2HB       LYS   6   9.013  -0.023   2.348
   38   2HB   LYS   6          3HB       LYS   6   8.786   0.321   4.068
   39   1HG   LYS   6          2HG       LYS   6  10.959   1.040   4.379
   40   2HG   LYS   6          3HG       LYS   6  11.627  -0.016   3.155
   41   1HD   LYS   6          2HD       LYS   6   9.809   2.037   1.999
   42   2HD   LYS   6          3HD       LYS   6  11.171   2.702   2.898
   43   1HE   LYS   6          2HE       LYS   6  12.385   0.662   1.418
   44   2HE   LYS   6          3HE       LYS   6  11.087   1.161   0.334
   45   1HZ   LYS   6          1HZ       LYS   6  12.070   3.522   1.071
   46   2HZ   LYS   6          2HZ       LYS   6  13.439   2.624   1.219
   47   3HZ   LYS   6          3HZ       LYS   6  12.656   2.707  -0.231
   48    H    GLU   7           H        GLU   7   7.707  -2.302   5.035
   49    HA   GLU   7           HA       GLU   7   8.971  -2.039   7.646
   50   1HB   GLU   7          2HB       GLU   7   6.216  -2.270   6.662
   51   2HB   GLU   7          3HB       GLU   7   6.541  -3.509   7.865
   52   1HG   GLU   7          2HG       GLU   7   7.519  -1.659   9.348
   53   2HG   GLU   7          3HG       GLU   7   6.888  -0.510   8.157
   54    H    CYS   8           H        CYS   8   8.293  -4.651   5.364
   55    HA   CYS   8           HA       CYS   8   8.925  -6.747   7.343
   56   1HB   CYS   8          2HB       CYS   8   7.594  -6.775   4.924
   57   2HB   CYS   8          3HB       CYS   8   9.224  -7.180   4.414
   58    H    TYR   9           H        TYR   9  10.595  -5.062   4.674
   59    HA   TYR   9           HA       TYR   9  13.092  -6.414   4.947
   60   1HB   TYR   9          2HB       TYR   9  12.177  -4.782   3.126
   61   2HB   TYR   9          3HB       TYR   9  12.697  -3.483   4.177
   62    HD1  TYR   9           HD1      TYR   9  15.197  -3.311   4.813
   63    HD2  TYR   9           HD2      TYR   9  13.688  -5.967   1.741
   64    HE1  TYR   9           HE1      TYR   9  17.392  -3.364   3.772
   65    HE2  TYR   9           HE2      TYR   9  15.890  -5.942   0.682
   66    HH   TYR   9           HH       TYR   9  18.041  -5.678   1.070
   67    H    ASP  10           H        ASP  10  12.072  -3.284   6.344
   68    HA   ASP  10           HA       ASP  10  14.473  -2.792   7.841
   69   1HB   ASP  10          2HB       ASP  10  12.378  -1.252   7.305
   70   2HB   ASP  10          3HB       ASP  10  11.726  -1.881   8.807
   71    H    THR  11           H        THR  11  11.371  -4.119   8.863
   72    HA   THR  11           HA       THR  11  12.115  -4.764  11.532
   73    HB   THR  11           HB       THR  11   9.918  -6.008   9.867
   74    HG1  THR  11           1HG      THR  11   9.295  -4.078   9.997
   75   1HG2  THR  11          1HG2      THR  11  10.578  -7.039  12.239
   76   2HG2  THR  11          2HG2      THR  11   9.682  -5.614  12.819
   77   3HG2  THR  11          3HG2      THR  11   8.899  -6.775  11.721
   78    H    CYS  12           H        CYS  12  12.016  -6.803   8.542
   79    HA   CYS  12           HA       CYS  12  12.915  -9.238   9.744
   80   1HB   CYS  12          2HB       CYS  12  11.975  -9.064   7.448
   81   2HB   CYS  12          3HB       CYS  12  13.472  -8.272   6.907
   82    H    HIS  13           H        HIS  13  14.690  -6.417   8.364
   83    HA   HIS  13           HA       HIS  13  17.320  -7.359   8.781
   84   1HB   HIS  13          2HB       HIS  13  16.415  -5.075   7.732
   85   2HB   HIS  13          3HB       HIS  13  16.706  -4.511   9.366
   86    HD1  HIS  13           HD1      HIS  13  19.182  -3.950   9.888
   87    HD2  HIS  13           HD2      HIS  13  18.494  -6.200   6.366
   88    HE1  HIS  13           HE1      HIS  13  21.381  -4.003   8.619
   89    HE2  HIS  13           HE2      HIS  13  20.950  -5.259   6.421
   90    H    LYS  14           H        LYS  14  15.111  -5.848  11.081
   91    HA   LYS  14           HA       LYS  14  16.928  -5.654  13.294
   92   1HB   LYS  14          2HB       LYS  14  14.099  -5.295  12.892
   93   2HB   LYS  14          3HB       LYS  14  14.246  -6.490  14.174
   94   1HG   LYS  14          2HG       LYS  14  14.292  -4.526  15.324
   95   2HG   LYS  14          3HG       LYS  14  16.024  -4.849  15.166
   96   1HD   LYS  14          2HD       LYS  14  16.245  -2.800  14.164
   97   2HD   LYS  14          3HD       LYS  14  15.392  -3.436  12.769
   98   1HE   LYS  14          2HE       LYS  14  14.272  -1.436  13.438
   99   2HE   LYS  14          3HE       LYS  14  13.209  -2.800  13.786
  100   1HZ   LYS  14          1HZ       LYS  14  13.633  -1.002  15.612
  101   2HZ   LYS  14          2HZ       LYS  14  13.566  -2.591  16.048
  102   3HZ   LYS  14          3HZ       LYS  14  15.021  -1.849  15.897
  103    H    GLU  15           H        GLU  15  14.610  -8.340  12.838
  104    HA   GLU  15           HA       GLU  15  16.018 -10.108  14.663
  105   1HB   GLU  15          2HB       GLU  15  13.578 -10.190  13.841
  106   2HB   GLU  15          3HB       GLU  15  14.205 -10.970  12.389
  107   1HG   GLU  15          2HG       GLU  15  14.785 -12.914  13.481
  108   2HG   GLU  15          3HG       GLU  15  15.207 -12.102  14.982
  109    H    CYS  16           H        CYS  16  16.724  -9.156  11.464
  110    HA   CYS  16           HA       CYS  16  18.235 -11.494  10.753
  111   1HB   CYS  16          2HB       CYS  16  17.215  -9.885   9.132
  112   2HB   CYS  16          3HB       CYS  16  18.558  -8.782   9.487
  113    H    SER  17           H        SER  17  19.259  -8.116  11.390
  114    HA   SER  17           HA       SER  17  22.058  -8.546  11.726
  115   1HB   SER  17          2HB       SER  17  20.227  -6.362  12.023
  116   2HB   SER  17          3HB       SER  17  21.007  -6.557  13.583
  117    HG   SER  17           HG       SER  17  22.810  -6.742  11.565
  118    H    ASP  18           H        ASP  18  19.382  -9.284  13.937
  119    HA   ASP  18           HA       ASP  18  20.722  -9.695  16.420
  120   1HB   ASP  18          2HB       ASP  18  18.352  -9.929  16.378
  121   2HB   ASP  18          3HB       ASP  18  18.431 -11.008  14.996
  122    H    LYS  19           H        LYS  19  20.717 -11.732  13.443
  123    HA   LYS  19           HA       LYS  19  22.085 -13.895  14.636
  124   1HB   LYS  19          2HB       LYS  19  21.299 -13.029  11.896
  125   2HB   LYS  19          3HB       LYS  19  22.850 -13.682  11.886
  126   1HG   LYS  19          2HG       LYS  19  20.905 -15.281  13.514
  127   2HG   LYS  19          3HG       LYS  19  20.288 -14.904  11.915
  128   1HD   LYS  19          2HD       LYS  19  22.737 -15.714  11.142
  129   2HD   LYS  19          3HD       LYS  19  22.721 -16.511  12.718
  130   1HE   LYS  19          2HE       LYS  19  20.257 -16.768  10.998
  131   2HE   LYS  19          3HE       LYS  19  21.733 -17.495  10.346
  132   1HZ   LYS  19          1HZ       LYS  19  20.760 -19.175  11.656
  133   2HZ   LYS  19          2HZ       LYS  19  21.934 -18.553  12.636
  134   3HZ   LYS  19          3HZ       LYS  19  20.371 -18.147  12.888
  135    H    GLY  20           H        GLY  20  23.161 -10.833  14.240
  136   1HA   GLY  20          2HA       GLY  20  25.153  -9.836  14.772
  137   2HA   GLY  20          3HA       GLY  20  25.906 -11.432  14.971
  138    H    ASN  21           H        ASN  21  24.209 -10.824  12.053
  139    HA   ASN  21           HA       ASN  21  26.679 -11.027  10.457
  140   1HB   ASN  21          2HB       ASN  21  23.815 -11.482  10.013
  141   2HB   ASN  21          3HB       ASN  21  24.611 -10.708   8.662
  142   1HD2  ASN  21          1HD2      ASN  21  23.612 -13.511   9.229
  143   2HD2  ASN  21          2HD2      ASN  21  25.007 -14.459   8.623
  144    H    GLY  22           H        GLY  22  26.546  -9.654   8.411
  145   1HA   GLY  22          2HA       GLY  22  26.793  -6.811   9.275
  146   2HA   GLY  22          3HA       GLY  22  27.226  -7.453   7.663
  147    H    PHE  23           H        PHE  23  25.554  -5.144   8.610
  148    HA   PHE  23           HA       PHE  23  22.886  -5.400   8.055
  149   1HB   PHE  23          2HB       PHE  23  22.904  -3.050   7.590
  150   2HB   PHE  23          3HB       PHE  23  24.174  -3.297   8.765
  151    HD1  PHE  23           HD1      PHE  23  23.273  -1.960   5.488
  152    HD2  PHE  23           HD2      PHE  23  26.623  -3.616   7.698
  153    HE1  PHE  23           HE1      PHE  23  24.763  -1.072   3.843
  154    HE2  PHE  23           HE2      PHE  23  28.157  -2.672   6.020
  155    HZ   PHE  23           HZ       PHE  23  27.249  -1.334   4.099
  156    H    THR  24           H        THR  24  25.396  -4.829   5.637
  157    HA   THR  24           HA       THR  24  23.821  -4.815   3.357
  158    HB   THR  24           HB       THR  24  26.676  -5.371   3.957
  159    HG1  THR  24           1HG      THR  24  26.630  -3.486   3.150
  160   1HG2  THR  24          1HG2      THR  24  25.448  -6.317   1.351
  161   2HG2  THR  24          2HG2      THR  24  27.148  -5.827   1.483
  162   3HG2  THR  24          3HG2      THR  24  26.578  -7.202   2.418
  163    H    PHE  25           H        PHE  25  25.583  -7.722   4.453
  164    HA   PHE  25           HA       PHE  25  24.359  -9.588   2.750
  165   1HB   PHE  25          2HB       PHE  25  26.271 -10.189   4.088
  166   2HB   PHE  25          3HB       PHE  25  25.421  -9.772   5.584
  167    HD1  PHE  25           HD1      PHE  25  23.980 -11.300   6.715
  168    HD2  PHE  25           HD2      PHE  25  25.411 -12.231   2.754
  169    HE1  PHE  25           HE1      PHE  25  23.129 -13.621   6.947
  170    HE2  PHE  25           HE2      PHE  25  24.627 -14.566   3.022
  171    HZ   PHE  25           HZ       PHE  25  23.532 -15.274   5.156
  172    H    CYS  26           H        CYS  26  23.266  -8.543   6.028
  173    HA   CYS  26           HA       CYS  26  20.966 -10.172   6.035
  174   1HB   CYS  26          2HB       CYS  26  22.121  -7.969   7.657
  175   2HB   CYS  26          3HB       CYS  26  20.392  -7.941   7.581
  176    H    GLU  27           H        GLU  27  21.613  -7.006   4.579
  177    HA   GLU  27           HA       GLU  27  18.893  -6.228   4.052
  178   1HB   GLU  27          2HB       GLU  27  21.632  -5.195   3.563
  179   2HB   GLU  27          3HB       GLU  27  20.676  -5.080   2.120
  180   1HG   GLU  27          2HG       GLU  27  19.412  -3.411   2.951
  181   2HG   GLU  27          3HG       GLU  27  19.231  -4.215   4.542
  182    H    MET  28           H        MET  28  21.424  -7.407   1.841
  183    HA   MET  28           HA       MET  28  19.638  -7.972  -0.335
  184   1HB   MET  28          2HB       MET  28  22.407  -8.679   0.471
  185   2HB   MET  28          3HB       MET  28  21.629  -9.943  -0.474
  186   1HG   MET  28          2HG       MET  28  21.263  -8.526  -2.323
  187   2HG   MET  28          3HG       MET  28  21.546  -7.059  -1.371
  188   1HE   MET  28          1HE       MET  28  24.691 -10.233  -2.275
  189   2HE   MET  28          2HE       MET  28  22.924 -10.410  -2.235
  190   3HE   MET  28          3HE       MET  28  23.708  -9.784  -3.695
  191    H    LYS  29           H        LYS  29  20.342  -9.818   2.555
  192    HA   LYS  29           HA       LYS  29  18.980 -12.207   1.595
  193   1HB   LYS  29          2HB       LYS  29  20.852 -12.085   3.398
  194   2HB   LYS  29          3HB       LYS  29  19.574 -11.617   4.518
  195   1HG   LYS  29          2HG       LYS  29  19.176 -14.004   2.689
  196   2HG   LYS  29          3HG       LYS  29  20.344 -14.173   3.994
  197   1HD   LYS  29          2HD       LYS  29  18.745 -13.991   5.678
  198   2HD   LYS  29          3HD       LYS  29  17.605 -13.084   4.668
  199   1HE   LYS  29          2HE       LYS  29  17.330 -15.107   3.226
  200   2HE   LYS  29          3HE       LYS  29  18.210 -16.038   4.441
  201   1HZ   LYS  29          1HZ       LYS  29  16.369 -15.873   5.896
  202   2HZ   LYS  29          2HZ       LYS  29  15.884 -14.412   5.377
  203   3HZ   LYS  29          3HZ       LYS  29  15.518 -15.662   4.508
  204    H    CYS  30           H        CYS  30  18.138  -9.892   4.171
  205    HA   CYS  30           HA       CYS  30  15.478 -10.577   4.704
  206   1HB   CYS  30          2HB       CYS  30  16.918  -7.927   4.584
  207   2HB   CYS  30          3HB       CYS  30  15.246  -8.071   5.101
  208    H    ASP  31           H        ASP  31  16.856  -8.847   1.933
  209    HA   ASP  31           HA       ASP  31  14.505  -7.889   0.709
  210   1HB   ASP  31          2HB       ASP  31  17.175  -7.716   0.106
  211   2HB   ASP  31          3HB       ASP  31  16.798  -9.039  -0.934
  212    H    THR  32           H        THR  32  16.288 -10.842  -0.004
  213    HA   THR  32           HA       THR  32  14.078 -12.009  -1.579
  214    HB   THR  32           HB       THR  32  16.817 -12.928  -0.715
  215    HG1  THR  32           1HG      THR  32  16.434 -11.675  -2.561
  216   1HG2  THR  32          1HG2      THR  32  14.639 -14.717  -1.813
  217   2HG2  THR  32          2HG2      THR  32  16.357 -15.045  -2.103
  218   3HG2  THR  32          3HG2      THR  32  15.738 -14.989  -0.435
  219    H    ASP  33           H        ASP  33  14.944 -12.010   1.798
  220    HA   ASP  33           HA       ASP  33  13.633 -14.367   2.702
  221   1HB   ASP  33          2HB       ASP  33  15.079 -12.981   4.148
  222   2HB   ASP  33          3HB       ASP  33  13.914 -11.659   4.022
  223    H    CYS  34           H        CYS  34  12.326 -11.094   3.029
  224    HA   CYS  34           HA       CYS  34   9.599 -12.166   3.033
  225   1HB   CYS  34          2HB       CYS  34  10.555 -10.320   4.579
  226   2HB   CYS  34          3HB       CYS  34  10.341  -9.237   3.191
  227    H    SER  35           H        SER  35  10.641 -12.676   0.756
  228    HA   SER  35           HA       SER  35   8.969 -11.312  -1.183
  229   1HB   SER  35          2HB       SER  35  10.989  -9.845  -1.005
  230   2HB   SER  35          3HB       SER  35  11.914 -11.088  -1.848
  231    HG   SER  35           HG       SER  35   9.470 -10.553  -2.986
  232    H    VAL  36           H        VAL  36   8.273 -13.485  -1.901
  233    HA   VAL  36           HA       VAL  36  10.109 -15.612  -2.406
  234    HB   VAL  36           HB       VAL  36   7.319 -15.643  -3.432
  235   1HG1  VAL  36          1HG1      VAL  36   9.382 -17.624  -2.952
  236   2HG1  VAL  36          2HG1      VAL  36   8.035 -17.989  -1.898
  237   3HG1  VAL  36          3HG1      VAL  36   7.764 -17.840  -3.641
  238   1HG2  VAL  36          1HG2      VAL  36   6.636 -14.789  -1.426
  239   2HG2  VAL  36          2HG2      VAL  36   6.729 -16.485  -0.947
  240   3HG2  VAL  36          3HG2      VAL  36   8.041 -15.398  -0.519
  241    H    LYS  37           H        LYS  37   9.449 -16.735  -4.702
  242    HA   LYS  37           HA       LYS  37   9.166 -15.049  -6.992
  243   1HB   LYS  37          2HB       LYS  37  11.410 -14.274  -6.383
  244   2HB   LYS  37          3HB       LYS  37  12.022 -15.903  -6.249
  245   1HG   LYS  37          2HG       LYS  37  12.404 -16.034  -8.500
  246   2HG   LYS  37          3HG       LYS  37  10.821 -15.361  -8.903
  247   1HD   LYS  37          2HD       LYS  37  11.964 -13.719  -9.757
  248   2HD   LYS  37          3HD       LYS  37  11.832 -13.058  -8.124
  249   1HE   LYS  37          2HE       LYS  37  14.030 -13.895  -7.532
  250   2HE   LYS  37          3HE       LYS  37  14.158 -14.785  -9.064
  251   1HZ   LYS  37          1HZ       LYS  37  14.469 -12.850 -10.244
  252   2HZ   LYS  37          2HZ       LYS  37  13.682 -11.901  -9.157
  253   3HZ   LYS  37          3HZ       LYS  37  15.212 -12.402  -8.836
  254    H    ASP  38           H        ASP  38   8.978 -16.246  -8.860
  255    HA   ASP  38           HA       ASP  38   9.020 -19.216  -8.587
  256   1HB   ASP  38          2HB       ASP  38   6.735 -17.778  -8.974
  257   2HB   ASP  38          3HB       ASP  38   7.348 -17.751 -10.624
  258    H    VAL  39           H        VAL  39   9.657 -20.330 -10.393
  259    HA   VAL  39           HA       VAL  39  10.861 -18.963 -12.733
  260    HB   VAL  39           HB       VAL  39  12.556 -20.628 -10.830
  261   1HG1  VAL  39          1HG1      VAL  39  13.146 -20.968 -13.287
  262   2HG1  VAL  39          2HG1      VAL  39  13.363 -19.217 -13.433
  263   3HG1  VAL  39          3HG1      VAL  39  14.417 -20.187 -12.367
  264   1HG2  VAL  39          1HG2      VAL  39  13.978 -18.493 -10.741
  265   2HG2  VAL  39          2HG2      VAL  39  12.611 -17.668 -11.526
  266   3HG2  VAL  39          3HG2      VAL  39  12.423 -18.412  -9.923
  267    H    LYS  40           H        LYS  40   8.979 -20.088 -13.498
  268    HA   LYS  40           HA       LYS  40   8.524 -22.825 -13.472
  269   1HB   LYS  40          2HB       LYS  40   8.179 -20.880 -15.798
  270   2HB   LYS  40          3HB       LYS  40   7.546 -22.522 -15.797
  271   1HG   LYS  40          2HG       LYS  40   6.726 -21.240 -13.300
  272   2HG   LYS  40          3HG       LYS  40   6.411 -20.128 -14.626
  273   1HD   LYS  40          2HD       LYS  40   4.447 -21.384 -14.412
  274   2HD   LYS  40          3HD       LYS  40   5.267 -22.115 -15.813
  275   1HE   LYS  40          2HE       LYS  40   6.163 -23.908 -14.373
  276   2HE   LYS  40          3HE       LYS  40   5.463 -23.145 -12.936
  277   1HZ   LYS  40          1HZ       LYS  40   3.597 -23.688 -15.079
  278   2HZ   LYS  40          2HZ       LYS  40   4.207 -25.033 -14.354
  279   3HZ   LYS  40          3HZ       LYS  40   3.418 -23.896 -13.458
  280    H    GLU  41           H        GLU  41   9.313 -24.617 -14.373
  281    HA   GLU  41           HA       GLU  41  11.999 -24.334 -15.593
  282   1HB   GLU  41          2HB       GLU  41  11.206 -25.962 -13.582
  283   2HB   GLU  41          3HB       GLU  41  10.833 -27.008 -14.962
  284   1HG   GLU  41          2HG       GLU  41  13.327 -26.126 -15.697
  285   2HG   GLU  41          3HG       GLU  41  13.467 -25.919 -13.956
  286    H    LYS  42           H        LYS  42  12.536 -25.783 -17.367
  287    HA   LYS  42           HA       LYS  42  10.463 -25.620 -19.500
  288   1HB   LYS  42          2HB       LYS  42  12.999 -24.931 -19.769
  289   2HB   LYS  42          3HB       LYS  42  13.308 -26.658 -19.763
  290   1HG   LYS  42          2HG       LYS  42  11.230 -26.559 -21.566
  291   2HG   LYS  42          3HG       LYS  42  11.880 -24.931 -21.777
  292   1HD   LYS  42          2HD       LYS  42  13.971 -25.760 -22.575
  293   2HD   LYS  42          3HD       LYS  42  13.719 -27.351 -21.829
  294   1HE   LYS  42          2HE       LYS  42  13.367 -27.788 -24.080
  295   2HE   LYS  42          3HE       LYS  42  11.770 -27.743 -23.339
  296   1HZ   LYS  42          1HZ       LYS  42  11.244 -26.180 -24.820
  297   2HZ   LYS  42          2HZ       LYS  42  12.349 -25.156 -24.152
  298   3HZ   LYS  42          3HZ       LYS  42  12.778 -26.114 -25.422
  299    H    LEU  43           H        LEU  43   9.178 -27.103 -18.290
  300    HA   LEU  43           HA       LEU  43   9.616 -29.750 -17.655
  301   1HB   LEU  43          2HB       LEU  43   7.341 -29.923 -17.525
  302   2HB   LEU  43          3HB       LEU  43   7.394 -28.208 -17.723
  303    HG   LEU  43           HG       LEU  43   5.690 -28.877 -19.104
  304   1HD1  LEU  43          1HD1      LEU  43   6.203 -27.766 -21.022
  305   2HD1  LEU  43          2HD1      LEU  43   7.859 -27.712 -20.433
  306   3HD1  LEU  43          3HD1      LEU  43   7.366 -29.002 -21.507
  307   1HD2  LEU  43          1HD2      LEU  43   6.594 -31.403 -19.042
  308   2HD2  LEU  43          2HD2      LEU  43   5.371 -30.857 -20.188
  309   3HD2  LEU  43          3HD2      LEU  43   7.030 -31.020 -20.697
  310    H    GLU  44           H        GLU  44   9.053 -31.800 -18.884
  311    HA   GLU  44           HA       GLU  44   9.111 -31.737 -21.749
  312   1HB   GLU  44          2HB       GLU  44  11.674 -31.833 -20.293
  313   2HB   GLU  44          3HB       GLU  44  11.434 -33.306 -21.204
  314   1HG   GLU  44          2HG       GLU  44  11.016 -30.557 -22.494
  315   2HG   GLU  44          3HG       GLU  44  12.603 -31.279 -22.366
  316    H    ASN  45           H        ASN  45   8.854 -33.803 -22.593
  317    HA   ASN  45           HA       ASN  45   8.837 -36.257 -21.253
  318   1HB   ASN  45          2HB       ASN  45   6.347 -36.600 -20.897
  319   2HB   ASN  45          3HB       ASN  45   7.042 -35.480 -19.743
  320   1HD2  ASN  45          1HD2      ASN  45   5.282 -35.499 -22.812
  321   2HD2  ASN  45          2HD2      ASN  45   4.520 -33.973 -22.467
  322    H    TYR  46           H        TYR  46   8.491 -37.847 -22.753
  323    HA   TYR  46           HA       TYR  46   6.623 -37.641 -24.918
  324   1HB   TYR  46          2HB       TYR  46   8.857 -36.028 -25.433
  325   2HB   TYR  46          3HB       TYR  46   9.384 -37.544 -26.072
  326    HD1  TYR  46           HD1      TYR  46   6.898 -34.790 -26.291
  327    HD2  TYR  46           HD2      TYR  46   8.313 -38.461 -28.059
  328    HE1  TYR  46           HE1      TYR  46   5.623 -34.281 -28.359
  329    HE2  TYR  46           HE2      TYR  46   7.031 -37.987 -30.106
  330    HH   TYR  46           HH       TYR  46   5.934 -36.295 -31.252
  331    H    LYS  47           H        LYS  47   6.833 -39.472 -26.367
  332    HA   LYS  47           HA       LYS  47   8.743 -41.548 -25.511
  333   1HB   LYS  47          2HB       LYS  47   5.858 -41.652 -24.928
  334   2HB   LYS  47          3HB       LYS  47   6.280 -42.902 -26.081
  335   1HG   LYS  47          2HG       LYS  47   8.320 -43.315 -24.341
  336   2HG   LYS  47          3HG       LYS  47   7.271 -42.475 -23.232
  337   1HD   LYS  47          2HD       LYS  47   6.105 -44.747 -24.898
  338   2HD   LYS  47          3HD       LYS  47   7.281 -45.139 -23.639
  339   1HE   LYS  47          2HE       LYS  47   5.929 -43.769 -22.027
  340   2HE   LYS  47          3HE       LYS  47   4.669 -43.609 -23.262
  341   1HZ   LYS  47          1HZ       LYS  47   5.686 -46.279 -22.538
  342   2HZ   LYS  47          2HZ       LYS  47   4.580 -45.578 -21.554
  343   3HZ   LYS  47          3HZ       LYS  47   4.206 -45.893 -23.128
  344    HA   PRO  48           HA       PRO  48   9.216 -42.350 -29.737
  345   1HB   PRO  48          2HB       PRO  48   9.667 -45.128 -29.809
  346   2HB   PRO  48          3HB       PRO  48  10.841 -43.880 -29.302
  347   1HG   PRO  48          2HG       PRO  48   9.296 -45.806 -27.636
  348   2HG   PRO  48          3HG       PRO  48  10.846 -44.965 -27.287
  349   1HD   PRO  48          2HD       PRO  48   8.220 -44.309 -26.418
  350   2HD   PRO  48          3HD       PRO  48   9.743 -43.385 -26.130
  351    H    LYS  49           H        LYS  49   8.479 -44.272 -31.437
  352    HA   LYS  49           HA       LYS  49   5.776 -45.217 -31.044
  353   1HB   LYS  49          2HB       LYS  49   4.650 -43.792 -32.587
  354   2HB   LYS  49          3HB       LYS  49   5.601 -42.702 -31.612
  355   1HG   LYS  49          2HG       LYS  49   6.092 -41.818 -33.648
  356   2HG   LYS  49          3HG       LYS  49   7.428 -42.928 -33.527
  357   1HD   LYS  49          2HD       LYS  49   6.752 -44.100 -35.317
  358   2HD   LYS  49          3HD       LYS  49   5.132 -44.366 -34.669
  359   1HE   LYS  49          2HE       LYS  49   4.262 -42.396 -35.579
  360   2HE   LYS  49          3HE       LYS  49   5.882 -41.693 -35.801
  361   1HZ   LYS  49          1HZ       LYS  49   4.529 -43.695 -37.460
  362   2HZ   LYS  49          2HZ       LYS  49   5.544 -42.461 -37.918
  363   3HZ   LYS  49          3HZ       LYS  49   6.120 -43.871 -37.260
  364    H    ASN  50           H        ASN  50   5.502 -46.974 -32.309
  365    HA   ASN  50           HA       ASN  50   7.526 -48.309 -33.721
  366   1HB   ASN  50          2HB       ASN  50   4.491 -48.394 -33.756
  367   2HB   ASN  50          3HB       ASN  50   5.402 -49.247 -34.995
  368   1HD2  ASN  50          1HD2      ASN  50   5.009 -51.289 -34.487
  369   2HD2  ASN  50          2HD2      ASN  50   5.481 -51.997 -32.922
  Start of MODEL    6
    1   1H    ASP   1           H1       ASP   1   1.464   0.883   0.420
    2   2H    ASP   1           H2       ASP   1   1.636  -0.753   0.595
    3   3H    ASP   1           H3       ASP   1   0.313  -0.125  -0.206
    4    HA   ASP   1           HA       ASP   1   2.787  -0.832  -1.277
    5   1HB   ASP   1          2HB       ASP   1   0.048  -0.126  -2.113
    6   2HB   ASP   1          3HB       ASP   1   1.206   0.595  -3.210
    7    H    GLU   2           H        GLU   2   3.275   0.864  -3.309
    8    HA   GLU   2           HA       GLU   2   4.250   2.804  -3.958
    9   1HB   GLU   2          2HB       GLU   2   2.267   3.717  -2.052
   10   2HB   GLU   2          3HB       GLU   2   3.724   4.669  -1.837
   11   1HG   GLU   2          2HG       GLU   2   3.662   5.522  -3.993
   12   2HG   GLU   2          3HG       GLU   2   2.700   4.171  -4.632
   13    H    ALA   3           H        ALA   3   4.458   2.601  -0.394
   14    HA   ALA   3           HA       ALA   3   6.965   3.698   0.014
   15   1HB   ALA   3          1HB       ALA   3   5.171   1.860   1.445
   16   2HB   ALA   3          2HB       ALA   3   6.873   1.443   1.719
   17   3HB   ALA   3          3HB       ALA   3   6.316   3.084   2.084
   18    H    GLN   4           H        GLN   4   6.298   0.235  -0.730
   19    HA   GLN   4           HA       GLN   4   8.854  -0.760  -0.848
   20   1HB   GLN   4          2HB       GLN   4   6.318  -1.294  -2.387
   21   2HB   GLN   4          3HB       GLN   4   7.795  -1.973  -3.061
   22   1HG   GLN   4          2HG       GLN   4   7.050  -2.366  -0.143
   23   2HG   GLN   4          3HG       GLN   4   6.503  -3.462  -1.420
   24   1HE2  GLN   4          1HE2      GLN   4   9.145  -2.571   0.636
   25   2HE2  GLN   4          2HE2      GLN   4  10.289  -3.723  -0.050
   26    H    PHE   5           H        PHE   5   7.482   1.527  -3.096
   27    HA   PHE   5           HA       PHE   5   9.774   1.399  -4.968
   28   1HB   PHE   5          2HB       PHE   5   7.229   1.645  -5.588
   29   2HB   PHE   5          3HB       PHE   5   7.339   3.260  -4.902
   30    HD1  PHE   5           HD1      PHE   5   8.217   1.190  -7.706
   31    HD2  PHE   5           HD2      PHE   5   8.800   5.031  -5.826
   32    HE1  PHE   5           HE1      PHE   5   9.017   2.151  -9.855
   33    HE2  PHE   5           HE2      PHE   5   9.632   5.948  -7.989
   34    HZ   PHE   5           HZ       PHE   5   9.814   4.482  -9.967
   35    H    LYS   6           H        LYS   6   8.157   3.581  -2.572
   36    HA   LYS   6           HA       LYS   6   9.894   5.838  -2.987
   37   1HB   LYS   6          2HB       LYS   6   7.625   5.484  -1.509
   38   2HB   LYS   6          3HB       LYS   6   8.820   5.259  -0.230
   39   1HG   LYS   6          2HG       LYS   6   8.440   7.581  -0.177
   40   2HG   LYS   6          3HG       LYS   6   9.901   7.473  -1.166
   41   1HD   LYS   6          2HD       LYS   6   8.403   7.503  -3.236
   42   2HD   LYS   6          3HD       LYS   6   7.027   7.743  -2.146
   43   1HE   LYS   6          2HE       LYS   6   8.410   9.767  -1.230
   44   2HE   LYS   6          3HE       LYS   6   9.370   9.602  -2.704
   45   1HZ   LYS   6          1HZ       LYS   6   7.262  11.106  -2.687
   46   2HZ   LYS   6          2HZ       LYS   6   7.574  10.175  -4.011
   47   3HZ   LYS   6          3HZ       LYS   6   6.444   9.699  -2.919
   48    H    GLU   7           H        GLU   7  10.366   2.837  -1.296
   49    HA   GLU   7           HA       GLU   7  12.799   3.751   0.015
   50   1HB   GLU   7          2HB       GLU   7  11.248   1.168  -0.176
   51   2HB   GLU   7          3HB       GLU   7  12.952   1.072   0.237
   52   1HG   GLU   7          2HG       GLU   7  11.342   3.131   1.731
   53   2HG   GLU   7          3HG       GLU   7  11.000   1.438   2.082
   54    H    CYS   8           H        CYS   8  11.876   2.189  -3.033
   55    HA   CYS   8           HA       CYS   8  14.649   1.399  -3.612
   56   1HB   CYS   8          2HB       CYS   8  12.212   0.590  -4.580
   57   2HB   CYS   8          3HB       CYS   8  12.636   1.810  -5.772
   58    H    TYR   9           H        TYR   9  12.404   4.046  -4.507
   59    HA   TYR   9           HA       TYR   9  14.202   5.417  -6.234
   60   1HB   TYR   9          2HB       TYR   9  11.640   5.698  -5.724
   61   2HB   TYR   9          3HB       TYR   9  12.132   6.663  -4.352
   62    HD1  TYR   9           HD1      TYR   9  13.520   8.794  -4.752
   63    HD2  TYR   9           HD2      TYR   9  11.599   6.588  -7.926
   64    HE1  TYR   9           HE1      TYR   9  13.578  10.781  -6.183
   65    HE2  TYR   9           HE2      TYR   9  11.639   8.624  -9.327
   66    HH   TYR   9           HH       TYR   9  12.776  10.563  -9.638
   67    H    ASP  10           H        ASP  10  13.505   5.926  -2.737
   68    HA   ASP  10           HA       ASP  10  15.380   8.031  -2.403
   69   1HB   ASP  10          2HB       ASP  10  13.483   7.044  -0.805
   70   2HB   ASP  10          3HB       ASP  10  14.776   6.034  -0.185
   71    H    THR  11           H        THR  11  15.621   4.535  -1.646
   72    HA   THR  11           HA       THR  11  18.315   4.558  -0.855
   73    HB   THR  11           HB       THR  11  16.669   2.268  -1.988
   74    HG1  THR  11           1HG      THR  11  15.904   2.282   0.055
   75   1HG2  THR  11          1HG2      THR  11  18.646   1.160  -1.818
   76   2HG2  THR  11          2HG2      THR  11  19.359   2.406  -0.740
   77   3HG2  THR  11          3HG2      THR  11  18.257   1.173  -0.088
   78    H    CYS  12           H        CYS  12  16.818   3.854  -4.047
   79    HA   CYS  12           HA       CYS  12  19.188   3.230  -5.433
   80   1HB   CYS  12          2HB       CYS  12  16.963   2.840  -6.359
   81   2HB   CYS  12          3HB       CYS  12  16.684   4.596  -6.495
   82    H    HIS  13           H        HIS  13  17.565   6.382  -4.788
   83    HA   HIS  13           HA       HIS  13  19.326   8.055  -6.180
   84   1HB   HIS  13          2HB       HIS  13  17.136   8.558  -4.738
   85   2HB   HIS  13          3HB       HIS  13  18.336   8.916  -3.519
   86    HD1  HIS  13           HD1      HIS  13  19.062  11.321  -3.566
   87    HD2  HIS  13           HD2      HIS  13  17.614   9.922  -7.270
   88    HE1  HIS  13           HE1      HIS  13  19.040  13.354  -5.160
   89    HE2  HIS  13           HE2      HIS  13  18.162  12.476  -7.421
   90    H    LYS  14           H        LYS  14  19.656   6.661  -2.932
   91    HA   LYS  14           HA       LYS  14  22.040   8.012  -2.175
   92   1HB   LYS  14          2HB       LYS  14  20.460   5.818  -1.216
   93   2HB   LYS  14          3HB       LYS  14  22.123   5.222  -1.306
   94   1HG   LYS  14          2HG       LYS  14  22.900   6.986   0.100
   95   2HG   LYS  14          3HG       LYS  14  21.364   7.879  -0.039
   96   1HD   LYS  14          2HD       LYS  14  20.152   6.327   1.250
   97   2HD   LYS  14          3HD       LYS  14  21.381   5.067   1.107
   98   1HE   LYS  14          2HE       LYS  14  22.015   7.722   2.440
   99   2HE   LYS  14          3HE       LYS  14  21.201   6.430   3.337
  100   1HZ   LYS  14          1HZ       LYS  14  23.563   6.196   3.625
  101   2HZ   LYS  14          2HZ       LYS  14  23.049   4.955   2.674
  102   3HZ   LYS  14          3HZ       LYS  14  23.841   6.217   1.997
  103    H    GLU  15           H        GLU  15  21.962   4.706  -3.610
  104    HA   GLU  15           HA       GLU  15  24.763   4.757  -4.280
  105   1HB   GLU  15          2HB       GLU  15  23.382   2.699  -4.011
  106   2HB   GLU  15          3HB       GLU  15  22.507   3.099  -5.485
  107   1HG   GLU  15          2HG       GLU  15  24.187   2.384  -6.836
  108   2HG   GLU  15          3HG       GLU  15  25.439   3.189  -5.892
  109    H    CYS  16           H        CYS  16  22.052   6.313  -5.702
  110    HA   CYS  16           HA       CYS  16  23.122   6.450  -8.354
  111   1HB   CYS  16          2HB       CYS  16  20.693   6.633  -7.752
  112   2HB   CYS  16          3HB       CYS  16  21.026   8.283  -7.192
  113    H    SER  17           H        SER  17  22.471   9.041  -5.933
  114    HA   SER  17           HA       SER  17  24.019  11.076  -7.028
  115   1HB   SER  17          2HB       SER  17  22.600  10.662  -4.617
  116   2HB   SER  17          3HB       SER  17  24.257  10.945  -4.095
  117    HG   SER  17           HG       SER  17  24.223  12.926  -4.995
  118    H    ASP  18           H        ASP  18  25.075   8.136  -5.335
  119    HA   ASP  18           HA       ASP  18  27.694   8.808  -4.560
  120   1HB   ASP  18          2HB       ASP  18  26.928   6.652  -3.955
  121   2HB   ASP  18          3HB       ASP  18  26.352   6.334  -5.578
  122    H    LYS  19           H        LYS  19  26.330   8.150  -7.812
  123    HA   LYS  19           HA       LYS  19  28.816   7.966  -9.127
  124   1HB   LYS  19          2HB       LYS  19  25.952   8.128  -9.869
  125   2HB   LYS  19          3HB       LYS  19  26.887   9.096 -10.896
  126   1HG   LYS  19          2HG       LYS  19  28.158   6.446 -10.382
  127   2HG   LYS  19          3HG       LYS  19  26.484   6.269 -10.861
  128   1HD   LYS  19          2HD       LYS  19  27.325   8.131 -12.714
  129   2HD   LYS  19          3HD       LYS  19  28.846   7.285 -12.406
  130   1HE   LYS  19          2HE       LYS  19  27.959   5.213 -13.164
  131   2HE   LYS  19          3HE       LYS  19  26.289   5.734 -12.902
  132   1HZ   LYS  19          1HZ       LYS  19  26.623   7.367 -14.697
  133   2HZ   LYS  19          2HZ       LYS  19  28.100   6.725 -15.021
  134   3HZ   LYS  19          3HZ       LYS  19  26.739   5.811 -15.230
  135    H    GLY  20           H        GLY  20  27.491  10.543  -7.537
  136   1HA   GLY  20          2HA       GLY  20  28.331  12.650  -7.177
  137   2HA   GLY  20          3HA       GLY  20  29.538  12.376  -8.455
  138    H    ASN  21           H        ASN  21  26.254  11.680  -9.256
  139    HA   ASN  21           HA       ASN  21  26.220  13.861 -11.199
  140   1HB   ASN  21          2HB       ASN  21  24.838  11.292 -10.828
  141   2HB   ASN  21          3HB       ASN  21  23.776  12.566 -11.363
  142   1HD2  ASN  21          1HD2      ASN  21  25.033  10.179 -12.655
  143   2HD2  ASN  21          2HD2      ASN  21  25.647  10.866 -14.197
  144    H    GLY  22           H        GLY  22  23.826  14.733 -11.455
  145   1HA   GLY  22          2HA       GLY  22  23.322  16.327  -9.030
  146   2HA   GLY  22          3HA       GLY  22  22.487  16.487 -10.601
  147    H    PHE  23           H        PHE  23  21.429  16.355  -7.829
  148    HA   PHE  23           HA       PHE  23  20.201  13.955  -7.214
  149   1HB   PHE  23          2HB       PHE  23  18.908  16.703  -6.937
  150   2HB   PHE  23          3HB       PHE  23  18.684  15.323  -5.894
  151    HD1  PHE  23           HD1      PHE  23  20.310  18.414  -6.298
  152    HD2  PHE  23           HD2      PHE  23  21.019  14.436  -4.781
  153    HE1  PHE  23           HE1      PHE  23  22.138  19.280  -4.855
  154    HE2  PHE  23           HE2      PHE  23  22.828  15.310  -3.337
  155    HZ   PHE  23           HZ       PHE  23  23.388  17.731  -3.372
  156    H    THR  24           H        THR  24  18.741  16.680  -9.016
  157    HA   THR  24           HA       THR  24  16.329  15.558  -9.721
  158    HB   THR  24           HB       THR  24  18.101  17.670 -10.811
  159    HG1  THR  24           1HG      THR  24  16.396  18.368  -9.663
  160   1HG2  THR  24          1HG2      THR  24  17.776  16.756 -13.007
  161   2HG2  THR  24          2HG2      THR  24  16.091  16.289 -12.622
  162   3HG2  THR  24          3HG2      THR  24  16.541  17.992 -12.824
  163    H    PHE  25           H        PHE  25  19.180  15.462 -11.918
  164    HA   PHE  25           HA       PHE  25  18.175  13.656 -13.759
  165   1HB   PHE  25          2HB       PHE  25  20.281  14.747 -14.146
  166   2HB   PHE  25          3HB       PHE  25  20.933  14.176 -12.607
  167    HD1  PHE  25           HD1      PHE  25  22.059  12.111 -12.397
  168    HD2  PHE  25           HD2      PHE  25  19.884  12.995 -15.986
  169    HE1  PHE  25           HE1      PHE  25  23.070  10.123 -13.493
  170    HE2  PHE  25           HE2      PHE  25  20.945  11.039 -17.113
  171    HZ   PHE  25           HZ       PHE  25  22.578   9.624 -15.864
  172    H    CYS  26           H        CYS  26  19.940  12.882 -10.692
  173    HA   CYS  26           HA       CYS  26  19.842  10.099 -11.062
  174   1HB   CYS  26          2HB       CYS  26  20.570  12.009  -8.931
  175   2HB   CYS  26          3HB       CYS  26  19.810  10.580  -8.316
  176    H    GLU  27           H        GLU  27  17.480  12.450  -9.870
  177    HA   GLU  27           HA       GLU  27  15.704  10.569  -8.631
  178   1HB   GLU  27          2HB       GLU  27  15.860  13.470  -9.115
  179   2HB   GLU  27          3HB       GLU  27  14.272  12.891  -9.557
  180   1HG   GLU  27          2HG       GLU  27  13.701  12.553  -7.394
  181   2HG   GLU  27          3HG       GLU  27  15.264  11.771  -7.015
  182    H    MET  28           H        MET  28  15.355  12.432 -11.679
  183    HA   MET  28           HA       MET  28  13.185  10.930 -12.674
  184   1HB   MET  28          2HB       MET  28  15.284  12.764 -13.780
  185   2HB   MET  28          3HB       MET  28  14.695  11.589 -14.937
  186   1HG   MET  28          2HG       MET  28  12.341  12.486 -13.733
  187   2HG   MET  28          3HG       MET  28  13.331  13.933 -13.811
  188   1HE   MET  28          1HE       MET  28  11.097  11.588 -15.192
  189   2HE   MET  28          2HE       MET  28  10.422  13.056 -15.933
  190   3HE   MET  28          3HE       MET  28  11.060  11.747 -16.958
  191    H    LYS  29           H        LYS  29  16.603  10.145 -12.604
  192    HA   LYS  29           HA       LYS  29  16.332   7.925 -14.459
  193   1HB   LYS  29          2HB       LYS  29  18.456   9.353 -13.877
  194   2HB   LYS  29          3HB       LYS  29  18.631   8.257 -12.520
  195   1HG   LYS  29          2HG       LYS  29  19.635   6.813 -13.954
  196   2HG   LYS  29          3HG       LYS  29  18.091   6.582 -14.772
  197   1HD   LYS  29          2HD       LYS  29  19.756   9.024 -15.472
  198   2HD   LYS  29          3HD       LYS  29  20.247   7.455 -16.073
  199   1HE   LYS  29          2HE       LYS  29  17.401   7.677 -16.477
  200   2HE   LYS  29          3HE       LYS  29  18.107   9.205 -16.999
  201   1HZ   LYS  29          1HZ       LYS  29  18.086   7.558 -18.784
  202   2HZ   LYS  29          2HZ       LYS  29  19.644   7.924 -18.401
  203   3HZ   LYS  29          3HZ       LYS  29  18.974   6.513 -17.881
  204    H    CYS  30           H        CYS  30  17.098   8.040 -10.949
  205    HA   CYS  30           HA       CYS  30  16.802   5.381 -10.308
  206   1HB   CYS  30          2HB       CYS  30  16.147   7.955  -8.869
  207   2HB   CYS  30          3HB       CYS  30  15.854   6.419  -8.085
  208    H    ASP  31           H        ASP  31  14.338   7.793 -11.130
  209    HA   ASP  31           HA       ASP  31  12.032   6.472 -10.215
  210   1HB   ASP  31          2HB       ASP  31  12.475   8.874 -11.423
  211   2HB   ASP  31          3HB       ASP  31  12.040   7.996 -12.848
  212    H    THR  32           H        THR  32  13.437   6.555 -13.493
  213    HA   THR  32           HA       THR  32  11.777   4.347 -14.420
  214    HB   THR  32           HB       THR  32  13.943   6.084 -15.576
  215    HG1  THR  32           1HG      THR  32  12.246   6.366 -17.048
  216   1HG2  THR  32          1HG2      THR  32  13.779   4.796 -17.727
  217   2HG2  THR  32          2HG2      THR  32  14.642   3.912 -16.451
  218   3HG2  THR  32          3HG2      THR  32  12.955   3.499 -16.821
  219    H    ASP  33           H        ASP  33  14.861   4.592 -12.818
  220    HA   ASP  33           HA       ASP  33  16.124   2.220 -13.604
  221   1HB   ASP  33          2HB       ASP  33  17.268   3.891 -12.200
  222   2HB   ASP  33          3HB       ASP  33  16.078   3.614 -10.929
  223    H    CYS  34           H        CYS  34  14.445   2.664 -10.476
  224    HA   CYS  34           HA       CYS  34  13.849  -0.197 -10.387
  225   1HB   CYS  34          2HB       CYS  34  14.600   1.352  -8.424
  226   2HB   CYS  34          3HB       CYS  34  12.904   1.847  -8.368
  227    H    SER  35           H        SER  35  12.632   0.437 -12.464
  228    HA   SER  35           HA       SER  35   9.768   0.499 -11.772
  229   1HB   SER  35          2HB       SER  35  11.050   2.745 -12.891
  230   2HB   SER  35          3HB       SER  35  10.180   2.064 -14.241
  231    HG   SER  35           HG       SER  35   8.272   2.119 -12.984
  232    H    VAL  36           H        VAL  36   8.786  -1.116 -12.857
  233    HA   VAL  36           HA       VAL  36  10.160  -2.603 -14.866
  234    HB   VAL  36           HB       VAL  36   7.298  -3.090 -14.163
  235   1HG1  VAL  36          1HG1      VAL  36   7.791  -4.930 -15.371
  236   2HG1  VAL  36          2HG1      VAL  36   9.538  -4.605 -15.338
  237   3HG1  VAL  36          3HG1      VAL  36   8.780  -5.484 -14.019
  238   1HG2  VAL  36          1HG2      VAL  36   8.403  -4.504 -12.152
  239   2HG2  VAL  36          2HG2      VAL  36   9.585  -3.206 -12.215
  240   3HG2  VAL  36          3HG2      VAL  36   7.859  -2.834 -11.966
  241    H    LYS  37           H        LYS  37   8.302  -3.407 -16.637
  242    HA   LYS  37           HA       LYS  37   6.644  -1.414 -17.745
  243   1HB   LYS  37          2HB       LYS  37   9.339  -0.742 -18.192
  244   2HB   LYS  37          3HB       LYS  37   8.940  -1.617 -19.655
  245   1HG   LYS  37          2HG       LYS  37   6.953  -0.143 -19.969
  246   2HG   LYS  37          3HG       LYS  37   7.303   0.682 -18.448
  247   1HD   LYS  37          2HD       LYS  37   9.634   0.590 -20.294
  248   2HD   LYS  37          3HD       LYS  37   8.232   1.406 -20.977
  249   1HE   LYS  37          2HE       LYS  37   8.534   2.271 -18.222
  250   2HE   LYS  37          3HE       LYS  37  10.121   2.350 -18.974
  251   1HZ   LYS  37          1HZ       LYS  37   8.831   4.395 -19.297
  252   2HZ   LYS  37          2HZ       LYS  37   9.160   3.683 -20.747
  253   3HZ   LYS  37          3HZ       LYS  37   7.657   3.558 -20.089
  254    H    ASP  38           H        ASP  38   5.195  -2.530 -18.868
  255    HA   ASP  38           HA       ASP  38   6.049  -4.987 -20.306
  256   1HB   ASP  38          2HB       ASP  38   4.760  -5.282 -17.988
  257   2HB   ASP  38          3HB       ASP  38   3.367  -4.725 -18.922
  258    H    VAL  39           H        VAL  39   4.433  -5.584 -21.950
  259    HA   VAL  39           HA       VAL  39   2.630  -3.434 -22.881
  260    HB   VAL  39           HB       VAL  39   5.003  -4.455 -24.486
  261   1HG1  VAL  39          1HG1      VAL  39   3.452  -2.374 -25.848
  262   2HG1  VAL  39          2HG1      VAL  39   3.922  -4.018 -26.380
  263   3HG1  VAL  39          3HG1      VAL  39   2.422  -3.753 -25.506
  264   1HG2  VAL  39          1HG2      VAL  39   5.231  -1.804 -24.712
  265   2HG2  VAL  39          2HG2      VAL  39   4.291  -1.814 -23.224
  266   3HG2  VAL  39          3HG2      VAL  39   5.855  -2.665 -23.296
  267    H    LYS  40           H        LYS  40   1.377  -5.272 -21.911
  268    HA   LYS  40           HA       LYS  40   1.153  -7.808 -22.938
  269   1HB   LYS  40          2HB       LYS  40  -1.015  -5.844 -22.083
  270   2HB   LYS  40          3HB       LYS  40  -1.397  -7.490 -22.559
  271   1HG   LYS  40          2HG       LYS  40   0.871  -7.455 -20.699
  272   2HG   LYS  40          3HG       LYS  40  -0.467  -6.573 -19.994
  273   1HD   LYS  40          2HD       LYS  40  -1.674  -8.473 -19.642
  274   2HD   LYS  40          3HD       LYS  40  -1.322  -9.117 -21.246
  275   1HE   LYS  40          2HE       LYS  40   1.145  -9.388 -20.124
  276   2HE   LYS  40          3HE       LYS  40   0.141  -9.544 -18.681
  277   1HZ   LYS  40          1HZ       LYS  40  -0.116 -11.118 -21.181
  278   2HZ   LYS  40          2HZ       LYS  40   0.453 -11.685 -19.749
  279   3HZ   LYS  40          3HZ       LYS  40  -1.138 -11.259 -19.900
  280    H    GLU  41           H        GLU  41   0.798  -8.752 -24.796
  281    HA   GLU  41           HA       GLU  41   0.252  -7.041 -27.080
  282   1HB   GLU  41          2HB       GLU  41   1.569  -9.600 -26.620
  283   2HB   GLU  41          3HB       GLU  41   0.315  -9.823 -27.826
  284   1HG   GLU  41          2HG       GLU  41   1.879  -9.076 -29.288
  285   2HG   GLU  41          3HG       GLU  41   1.373  -7.485 -28.770
  286    H    LYS  42           H        LYS  42  -1.309  -7.756 -28.753
  287    HA   LYS  42           HA       LYS  42  -3.921  -8.175 -27.448
  288   1HB   LYS  42          2HB       LYS  42  -3.314  -6.468 -29.366
  289   2HB   LYS  42          3HB       LYS  42  -3.469  -7.863 -30.426
  290   1HG   LYS  42          2HG       LYS  42  -5.756  -8.194 -29.011
  291   2HG   LYS  42          3HG       LYS  42  -5.545  -6.473 -28.712
  292   1HD   LYS  42          2HD       LYS  42  -6.175  -5.917 -30.828
  293   2HD   LYS  42          3HD       LYS  42  -5.134  -7.122 -31.564
  294   1HE   LYS  42          2HE       LYS  42  -6.969  -8.276 -32.119
  295   2HE   LYS  42          3HE       LYS  42  -7.055  -8.770 -30.444
  296   1HZ   LYS  42          1HZ       LYS  42  -8.189  -6.200 -30.742
  297   2HZ   LYS  42          2HZ       LYS  42  -8.882  -7.254 -31.814
  298   3HZ   LYS  42          3HZ       LYS  42  -8.898  -7.603 -30.218
  299    H    LEU  43           H        LEU  43  -3.316 -10.312 -26.728
  300    HA   LEU  43           HA       LEU  43  -2.654 -12.522 -28.194
  301   1HB   LEU  43          2HB       LEU  43  -3.654 -13.889 -26.554
  302   2HB   LEU  43          3HB       LEU  43  -3.033 -12.474 -25.749
  303    HG   LEU  43           HG       LEU  43  -5.785 -11.866 -26.398
  304   1HD1  LEU  43          1HD1      LEU  43  -5.709 -14.575 -26.489
  305   2HD1  LEU  43          2HD1      LEU  43  -5.881 -14.350 -24.740
  306   3HD1  LEU  43          3HD1      LEU  43  -7.076 -13.667 -25.874
  307   1HD2  LEU  43          1HD2      LEU  43  -6.002 -11.299 -24.266
  308   2HD2  LEU  43          2HD2      LEU  43  -4.978 -12.623 -23.652
  309   3HD2  LEU  43          3HD2      LEU  43  -4.251 -11.198 -24.439
  310    H    GLU  44           H        GLU  44  -3.413 -13.573 -29.925
  311    HA   GLU  44           HA       GLU  44  -6.191 -13.992 -30.390
  312   1HB   GLU  44          2HB       GLU  44  -5.749 -11.428 -31.073
  313   2HB   GLU  44          3HB       GLU  44  -4.962 -12.137 -32.464
  314   1HG   GLU  44          2HG       GLU  44  -7.147 -11.933 -33.233
  315   2HG   GLU  44          3HG       GLU  44  -7.221 -13.574 -32.601
  316    H    ASN  45           H        ASN  45  -6.473 -15.511 -32.019
  317    HA   ASN  45           HA       ASN  45  -4.557 -16.107 -34.019
  318   1HB   ASN  45          2HB       ASN  45  -3.811 -17.137 -31.465
  319   2HB   ASN  45          3HB       ASN  45  -4.583 -18.498 -32.253
  320   1HD2  ASN  45          1HD2      ASN  45  -1.752 -16.937 -31.829
  321   2HD2  ASN  45          2HD2      ASN  45  -0.875 -17.533 -33.246
  322    H    TYR  46           H        TYR  46  -5.405 -17.620 -35.459
  323    HA   TYR  46           HA       TYR  46  -7.511 -19.462 -34.869
  324   1HB   TYR  46          2HB       TYR  46  -8.999 -17.648 -34.511
  325   2HB   TYR  46          3HB       TYR  46  -8.231 -16.655 -35.744
  326    HD1  TYR  46           HD1      TYR  46 -10.625 -19.374 -35.092
  327    HD2  TYR  46           HD2      TYR  46  -8.804 -16.875 -38.090
  328    HE1  TYR  46           HE1      TYR  46 -12.383 -20.058 -36.747
  329    HE2  TYR  46           HE2      TYR  46 -10.541 -17.578 -39.743
  330    HH   TYR  46           HH       TYR  46 -12.299 -20.126 -39.576
  331    H    LYS  47           H        LYS  47  -7.027 -20.952 -36.339
  332    HA   LYS  47           HA       LYS  47  -6.278 -20.028 -39.068
  333   1HB   LYS  47          2HB       LYS  47  -4.993 -22.067 -39.332
  334   2HB   LYS  47          3HB       LYS  47  -4.447 -21.168 -37.932
  335   1HG   LYS  47          2HG       LYS  47  -4.840 -22.923 -36.580
  336   2HG   LYS  47          3HG       LYS  47  -6.532 -22.999 -37.054
  337   1HD   LYS  47          2HD       LYS  47  -5.896 -24.291 -39.096
  338   2HD   LYS  47          3HD       LYS  47  -4.229 -24.311 -38.566
  339   1HE   LYS  47          2HE       LYS  47  -6.583 -25.369 -36.929
  340   2HE   LYS  47          3HE       LYS  47  -5.599 -26.383 -37.990
  341   1HZ   LYS  47          1HZ       LYS  47  -4.008 -26.470 -36.430
  342   2HZ   LYS  47          2HZ       LYS  47  -3.956 -24.837 -36.278
  343   3HZ   LYS  47          3HZ       LYS  47  -5.017 -25.704 -35.374
  344    HA   PRO  48           HA       PRO  48  -9.857 -22.012 -40.568
  345   1HB   PRO  48          2HB       PRO  48  -9.036 -22.675 -43.172
  346   2HB   PRO  48          3HB       PRO  48  -9.554 -21.064 -42.618
  347   1HG   PRO  48          2HG       PRO  48  -6.820 -22.061 -43.227
  348   2HG   PRO  48          3HG       PRO  48  -7.436 -20.380 -43.182
  349   1HD   PRO  48          2HD       PRO  48  -5.908 -21.749 -41.204
  350   2HD   PRO  48          3HD       PRO  48  -6.609 -20.113 -41.097
  351    H    LYS  49           H        LYS  49 -10.313 -24.066 -42.182
  352    HA   LYS  49           HA       LYS  49  -9.005 -26.385 -40.790
  353   1HB   LYS  49          2HB       LYS  49 -11.367 -26.132 -40.173
  354   2HB   LYS  49          3HB       LYS  49 -11.813 -26.105 -41.890
  355   1HG   LYS  49          2HG       LYS  49 -10.577 -28.440 -41.997
  356   2HG   LYS  49          3HG       LYS  49 -10.693 -28.413 -40.240
  357   1HD   LYS  49          2HD       LYS  49 -12.971 -28.715 -40.263
  358   2HD   LYS  49          3HD       LYS  49 -13.217 -27.793 -41.760
  359   1HE   LYS  49          2HE       LYS  49 -12.482 -29.569 -43.156
  360   2HE   LYS  49          3HE       LYS  49 -11.816 -30.478 -41.796
  361   1HZ   LYS  49          1HZ       LYS  49 -14.453 -30.073 -41.168
  362   2HZ   LYS  49          2HZ       LYS  49 -14.495 -30.448 -42.765
  363   3HZ   LYS  49          3HZ       LYS  49 -13.793 -31.484 -41.689
  364    H    ASN  50           H        ASN  50 -10.632 -25.507 -43.920
  365    HA   ASN  50           HA       ASN  50  -8.430 -26.600 -45.428
  366   1HB   ASN  50          2HB       ASN  50 -11.135 -27.956 -45.173
  367   2HB   ASN  50          3HB       ASN  50 -10.280 -27.997 -46.711
  368   1HD2  ASN  50          1HD2      ASN  50 -10.944 -30.246 -45.174
  369   2HD2  ASN  50          2HD2      ASN  50  -9.384 -30.977 -44.694
  Start of MODEL    7
    1   1H    ASP   1           H1       ASP   1   0.567  -0.660  -0.099
    2   2H    ASP   1           H2       ASP   1   1.016   0.913   0.227
    3   3H    ASP   1           H3       ASP   1   1.930  -0.407   0.732
    4    HA   ASP   1           HA       ASP   1   2.135   1.007  -1.653
    5   1HB   ASP   1          2HB       ASP   1   4.085  -0.386  -1.966
    6   2HB   ASP   1          3HB       ASP   1   4.021   0.184  -0.285
    7    H    GLU   2           H        GLU   2   0.675   0.683  -3.295
    8    HA   GLU   2           HA       GLU   2  -0.346  -0.399  -4.975
    9   1HB   GLU   2          2HB       GLU   2   1.894  -2.190  -4.416
   10   2HB   GLU   2          3HB       GLU   2   0.474  -3.141  -4.776
   11   1HG   GLU   2          2HG       GLU   2   1.109  -2.821  -6.903
   12   2HG   GLU   2          3HG       GLU   2   0.330  -1.245  -6.757
   13    H    ALA   3           H        ALA   3  -0.127  -2.747  -2.262
   14    HA   ALA   3           HA       ALA   3  -2.630  -3.956  -2.586
   15   1HB   ALA   3          1HB       ALA   3  -2.384  -4.537  -0.179
   16   2HB   ALA   3          2HB       ALA   3  -0.937  -4.919  -1.156
   17   3HB   ALA   3          3HB       ALA   3  -0.955  -3.480  -0.092
   18    H    GLN   4           H        GLN   4  -1.709  -1.246  -0.424
   19    HA   GLN   4           HA       GLN   4  -4.130  -0.650   0.673
   20   1HB   GLN   4          2HB       GLN   4  -1.652   0.725   0.343
   21   2HB   GLN   4          3HB       GLN   4  -2.839   1.835  -0.311
   22   1HG   GLN   4          2HG       GLN   4  -3.533   0.518   2.312
   23   2HG   GLN   4          3HG       GLN   4  -2.217   1.679   2.334
   24   1HE2  GLN   4          1HE2      GLN   4  -5.573   1.301   2.440
   25   2HE2  GLN   4          2HE2      GLN   4  -6.002   2.994   2.180
   26    H    PHE   5           H        PHE   5  -3.274  -0.217  -2.670
   27    HA   PHE   5           HA       PHE   5  -5.701   1.300  -3.326
   28   1HB   PHE   5          2HB       PHE   5  -3.338   1.670  -4.326
   29   2HB   PHE   5          3HB       PHE   5  -3.545   0.124  -5.134
   30    HD1  PHE   5           HD1      PHE   5  -4.232   3.595  -5.310
   31    HD2  PHE   5           HD2      PHE   5  -5.557  -0.283  -6.686
   32    HE1  PHE   5           HE1      PHE   5  -5.371   4.613  -7.256
   33    HE2  PHE   5           HE2      PHE   5  -6.728   0.799  -8.584
   34    HZ   PHE   5           HZ       PHE   5  -6.683   3.253  -8.831
   35    H    LYS   6           H        LYS   6  -4.200  -1.906  -3.859
   36    HA   LYS   6           HA       LYS   6  -6.283  -2.959  -5.542
   37   1HB   LYS   6          2HB       LYS   6  -3.882  -3.936  -4.210
   38   2HB   LYS   6          3HB       LYS   6  -5.196  -5.086  -3.952
   39   1HG   LYS   6          2HG       LYS   6  -5.620  -5.091  -6.423
   40   2HG   LYS   6          3HG       LYS   6  -4.285  -3.933  -6.622
   41   1HD   LYS   6          2HD       LYS   6  -2.891  -5.756  -5.308
   42   2HD   LYS   6          3HD       LYS   6  -4.183  -6.855  -5.822
   43   1HE   LYS   6          2HE       LYS   6  -3.654  -6.653  -8.082
   44   2HE   LYS   6          3HE       LYS   6  -2.966  -5.036  -7.899
   45   1HZ   LYS   6          1HZ       LYS   6  -1.453  -7.203  -8.135
   46   2HZ   LYS   6          2HZ       LYS   6  -0.962  -5.857  -7.327
   47   3HZ   LYS   6          3HZ       LYS   6  -1.562  -7.141  -6.490
   48    H    GLU   7           H        GLU   7  -6.114  -2.425  -2.099
   49    HA   GLU   7           HA       GLU   7  -8.481  -4.013  -1.580
   50   1HB   GLU   7          2HB       GLU   7  -6.681  -2.206   0.051
   51   2HB   GLU   7          3HB       GLU   7  -8.292  -2.613   0.662
   52   1HG   GLU   7          2HG       GLU   7  -7.775  -5.048   0.360
   53   2HG   GLU   7          3HG       GLU   7  -6.128  -4.614  -0.114
   54    H    CYS   8           H        CYS   8  -7.722  -0.644  -2.370
   55    HA   CYS   8           HA       CYS   8 -10.398   0.289  -1.625
   56   1HB   CYS   8          2HB       CYS   8  -7.994   1.553  -2.028
   57   2HB   CYS   8          3HB       CYS   8  -8.719   1.733  -3.617
   58    H    TYR   9           H        TYR   9  -8.665  -0.647  -4.620
   59    HA   TYR   9           HA       TYR   9 -10.802  -0.141  -6.412
   60   1HB   TYR   9          2HB       TYR   9  -8.271  -0.710  -6.779
   61   2HB   TYR   9          3HB       TYR   9  -8.726  -2.389  -6.581
   62    HD1  TYR   9           HD1      TYR   9 -10.279  -3.489  -8.252
   63    HD2  TYR   9           HD2      TYR   9  -8.764   0.524  -8.781
   64    HE1  TYR   9           HE1      TYR   9 -10.781  -3.600 -10.669
   65    HE2  TYR   9           HE2      TYR   9  -9.251   0.325 -11.220
   66    HH   TYR   9           HH       TYR   9  -9.924  -2.394 -12.827
   67    H    ASP  10           H        ASP  10  -9.801  -3.209  -4.811
   68    HA   ASP  10           HA       ASP  10 -11.903  -4.773  -5.893
   69   1HB   ASP  10          2HB       ASP  10  -9.718  -5.413  -4.491
   70   2HB   ASP  10          3HB       ASP  10 -10.787  -5.278  -3.108
   71    H    THR  11           H        THR  11 -11.563  -3.173  -2.686
   72    HA   THR  11           HA       THR  11 -14.150  -3.828  -1.746
   73    HB   THR  11           HB       THR  11 -12.339  -1.519  -0.973
   74    HG1  THR  11           1HG      THR  11 -12.663  -4.233  -0.108
   75   1HG2  THR  11          1HG2      THR  11 -13.673  -1.072   0.747
   76   2HG2  THR  11          2HG2      THR  11 -14.934  -2.060  -0.030
   77   3HG2  THR  11          3HG2      THR  11 -13.851  -2.779   1.177
   78    H    CYS  12           H        CYS  12 -12.922  -0.883  -3.404
   79    HA   CYS  12           HA       CYS  12 -15.325   0.582  -3.346
   80   1HB   CYS  12          2HB       CYS  12 -13.194   1.573  -4.000
   81   2HB   CYS  12          3HB       CYS  12 -13.143   0.570  -5.470
   82    H    HIS  13           H        HIS  13 -14.066  -1.860  -5.684
   83    HA   HIS  13           HA       HIS  13 -16.171  -1.784  -7.522
   84   1HB   HIS  13          2HB       HIS  13 -13.934  -3.245  -7.409
   85   2HB   HIS  13          3HB       HIS  13 -15.038  -4.419  -6.758
   86    HD1  HIS  13           HD1      HIS  13 -15.529  -5.975  -8.659
   87    HD2  HIS  13           HD2      HIS  13 -15.310  -1.939  -9.825
   88    HE1  HIS  13           HE1      HIS  13 -16.111  -5.922 -11.196
   89    HE2  HIS  13           HE2      HIS  13 -15.995  -3.409 -11.893
   90    H    LYS  14           H        LYS  14 -15.980  -3.450  -4.402
   91    HA   LYS  14           HA       LYS  14 -18.449  -4.886  -4.606
   92   1HB   LYS  14          2HB       LYS  14 -16.472  -4.298  -2.566
   93   2HB   LYS  14          3HB       LYS  14 -18.062  -4.020  -1.866
   94   1HG   LYS  14          2HG       LYS  14 -18.674  -6.230  -2.063
   95   2HG   LYS  14          3HG       LYS  14 -17.671  -6.510  -3.509
   96   1HD   LYS  14          2HD       LYS  14 -15.614  -6.358  -2.158
   97   2HD   LYS  14          3HD       LYS  14 -16.596  -6.155  -0.686
   98   1HE   LYS  14          2HE       LYS  14 -17.589  -8.339  -0.962
   99   2HE   LYS  14          3HE       LYS  14 -16.892  -8.532  -2.577
  100   1HZ   LYS  14          1HZ       LYS  14 -15.722  -9.480  -0.366
  101   2HZ   LYS  14          2HZ       LYS  14 -14.873  -9.075  -1.723
  102   3HZ   LYS  14          3HZ       LYS  14 -14.961  -8.024  -0.479
  103    H    GLU  15           H        GLU  15 -18.038  -1.854  -2.708
  104    HA   GLU  15           HA       GLU  15 -20.827  -1.334  -2.638
  105   1HB   GLU  15          2HB       GLU  15 -18.829  -0.297  -1.300
  106   2HB   GLU  15          3HB       GLU  15 -18.717   0.853  -2.637
  107   1HG   GLU  15          2HG       GLU  15 -20.749   1.863  -2.135
  108   2HG   GLU  15          3HG       GLU  15 -21.455   0.381  -1.490
  109    H    CYS  16           H        CYS  16 -18.560  -0.943  -5.202
  110    HA   CYS  16           HA       CYS  16 -20.016   1.019  -6.659
  111   1HB   CYS  16          2HB       CYS  16 -17.604   0.608  -6.968
  112   2HB   CYS  16          3HB       CYS  16 -17.975  -0.947  -7.720
  113    H    SER  17           H        SER  17 -19.336  -2.392  -7.555
  114    HA   SER  17           HA       SER  17 -21.377  -2.734  -9.417
  115   1HB   SER  17          2HB       SER  17 -19.430  -4.386  -8.194
  116   2HB   SER  17          3HB       SER  17 -20.970  -5.142  -7.805
  117    HG   SER  17           HG       SER  17 -19.822  -5.574  -9.951
  118    H    ASP  18           H        ASP  18 -21.567  -2.638  -5.879
  119    HA   ASP  18           HA       ASP  18 -24.008  -3.894  -5.375
  120   1HB   ASP  18          2HB       ASP  18 -22.821  -3.121  -3.485
  121   2HB   ASP  18          3HB       ASP  18 -22.548  -1.556  -4.213
  122    H    LYS  19           H        LYS  19 -23.314  -0.715  -6.874
  123    HA   LYS  19           HA       LYS  19 -25.956   0.232  -6.765
  124   1HB   LYS  19          2HB       LYS  19 -23.399   1.035  -8.022
  125   2HB   LYS  19          3HB       LYS  19 -24.682   1.251  -9.106
  126   1HG   LYS  19          2HG       LYS  19 -25.346   2.174  -6.346
  127   2HG   LYS  19          3HG       LYS  19 -23.840   2.850  -6.898
  128   1HD   LYS  19          2HD       LYS  19 -25.095   4.420  -7.927
  129   2HD   LYS  19          3HD       LYS  19 -25.432   3.222  -9.164
  130   1HE   LYS  19          2HE       LYS  19 -27.611   3.148  -8.622
  131   2HE   LYS  19          3HE       LYS  19 -27.212   2.676  -6.972
  132   1HZ   LYS  19          1HZ       LYS  19 -28.376   4.727  -6.868
  133   2HZ   LYS  19          2HZ       LYS  19 -26.806   5.060  -6.508
  134   3HZ   LYS  19          3HZ       LYS  19 -27.409   5.441  -8.001
  135    H    GLY  20           H        GLY  20 -24.763  -2.380  -8.389
  136   1HA   GLY  20          2HA       GLY  20 -25.867  -3.937  -9.660
  137   2HA   GLY  20          3HA       GLY  20 -27.225  -2.804  -9.859
  138    H    ASN  21           H        ASN  21 -24.017  -1.639 -10.495
  139    HA   ASN  21           HA       ASN  21 -24.691  -1.226 -13.307
  140   1HB   ASN  21          2HB       ASN  21 -22.819  -0.067 -11.360
  141   2HB   ASN  21          3HB       ASN  21 -22.110  -0.297 -12.932
  142   1HD2  ASN  21          1HD2      ASN  21 -23.103   2.076 -11.370
  143   2HD2  ASN  21          2HD2      ASN  21 -24.061   2.954 -12.593
  144    H    GLY  22           H        GLY  22 -22.570  -1.429 -14.726
  145   1HA   GLY  22          2HA       GLY  22 -21.997  -4.314 -14.844
  146   2HA   GLY  22          3HA       GLY  22 -21.444  -3.071 -16.002
  147    H    PHE  23           H        PHE  23 -19.979  -5.277 -14.678
  148    HA   PHE  23           HA       PHE  23 -18.269  -4.455 -12.661
  149   1HB   PHE  23          2HB       PHE  23 -17.455  -6.144 -15.075
  150   2HB   PHE  23          3HB       PHE  23 -16.830  -6.246 -13.443
  151    HD1  PHE  23           HD1      PHE  23 -19.427  -7.254 -15.794
  152    HD2  PHE  23           HD2      PHE  23 -18.329  -7.183 -11.624
  153    HE1  PHE  23           HE1      PHE  23 -21.136  -8.995 -15.312
  154    HE2  PHE  23           HE2      PHE  23 -20.041  -8.931 -11.148
  155    HZ   PHE  23           HZ       PHE  23 -21.433  -9.833 -12.994
  156    H    THR  24           H        THR  24 -17.514  -4.428 -16.172
  157    HA   THR  24           HA       THR  24 -15.108  -3.125 -16.151
  158    HB   THR  24           HB       THR  24 -17.341  -3.451 -18.080
  159    HG1  THR  24           1HG      THR  24 -15.320  -3.837 -19.316
  160   1HG2  THR  24          1HG2      THR  24 -17.111  -1.086 -18.557
  161   2HG2  THR  24          2HG2      THR  24 -15.338  -1.189 -18.417
  162   3HG2  THR  24          3HG2      THR  24 -16.208  -1.942 -19.781
  163    H    PHE  25           H        PHE  25 -18.221  -1.371 -16.636
  164    HA   PHE  25           HA       PHE  25 -17.242   1.207 -16.396
  165   1HB   PHE  25          2HB       PHE  25 -19.540   0.759 -17.020
  166   2HB   PHE  25          3HB       PHE  25 -19.828  -0.139 -15.527
  167    HD1  PHE  25           HD1      PHE  25 -20.555   0.917 -13.539
  168    HD2  PHE  25           HD2      PHE  25 -19.147   3.298 -16.826
  169    HE1  PHE  25           HE1      PHE  25 -21.385   2.980 -12.410
  170    HE2  PHE  25           HE2      PHE  25 -20.019   5.351 -15.711
  171    HZ   PHE  25           HZ       PHE  25 -21.176   5.175 -13.519
  172    H    CYS  26           H        CYS  26 -18.311  -0.984 -13.729
  173    HA   CYS  26           HA       CYS  26 -17.843   0.889 -11.703
  174   1HB   CYS  26          2HB       CYS  26 -18.494  -1.979 -11.929
  175   2HB   CYS  26          3HB       CYS  26 -17.405  -1.656 -10.625
  176    H    GLU  27           H        GLU  27 -15.704  -1.299 -13.455
  177    HA   GLU  27           HA       GLU  27 -13.469  -1.083 -11.657
  178   1HB   GLU  27          2HB       GLU  27 -14.148  -2.524 -14.152
  179   2HB   GLU  27          3HB       GLU  27 -12.590  -1.723 -14.297
  180   1HG   GLU  27          2HG       GLU  27 -12.326  -2.772 -11.838
  181   2HG   GLU  27          3HG       GLU  27 -13.473  -3.911 -12.446
  182    H    MET  28           H        MET  28 -13.858   0.109 -15.031
  183    HA   MET  28           HA       MET  28 -11.743   1.885 -15.062
  184   1HB   MET  28          2HB       MET  28 -14.451   1.744 -16.413
  185   2HB   MET  28          3HB       MET  28 -13.608   3.286 -16.517
  186   1HG   MET  28          2HG       MET  28 -12.356   0.639 -17.301
  187   2HG   MET  28          3HG       MET  28 -13.098   1.792 -18.425
  188   1HE   MET  28          1HE       MET  28 -10.872   1.041 -19.349
  189   2HE   MET  28          2HE       MET  28  -9.728   2.396 -19.541
  190   3HE   MET  28          3HE       MET  28  -9.387   1.100 -18.363
  191    H    LYS  29           H        LYS  29 -14.732   2.210 -13.336
  192    HA   LYS  29           HA       LYS  29 -14.291   5.043 -12.755
  193   1HB   LYS  29          2HB       LYS  29 -16.598   3.858 -13.078
  194   2HB   LYS  29          3HB       LYS  29 -16.386   3.313 -11.409
  195   1HG   LYS  29          2HG       LYS  29 -16.007   6.217 -12.262
  196   2HG   LYS  29          3HG       LYS  29 -17.623   5.578 -12.000
  197   1HD   LYS  29          2HD       LYS  29 -15.583   5.120  -9.814
  198   2HD   LYS  29          3HD       LYS  29 -16.181   6.746 -10.044
  199   1HE   LYS  29          2HE       LYS  29 -18.473   5.076 -10.170
  200   2HE   LYS  29          3HE       LYS  29 -17.458   4.321  -8.933
  201   1HZ   LYS  29          1HZ       LYS  29 -17.226   6.640  -7.995
  202   2HZ   LYS  29          2HZ       LYS  29 -18.473   7.095  -8.970
  203   3HZ   LYS  29          3HZ       LYS  29 -18.696   5.945  -7.793
  204    H    CYS  30           H        CYS  30 -14.659   2.101 -10.705
  205    HA   CYS  30           HA       CYS  30 -13.708   3.131  -8.317
  206   1HB   CYS  30          2HB       CYS  30 -13.519   0.417  -9.628
  207   2HB   CYS  30          3HB       CYS  30 -12.800   0.686  -8.060
  208    H    ASP  31           H        ASP  31 -11.931   2.305 -11.249
  209    HA   ASP  31           HA       ASP  31  -9.312   2.211 -10.259
  210   1HB   ASP  31          2HB       ASP  31 -10.423   1.776 -12.716
  211   2HB   ASP  31          3HB       ASP  31  -9.953   3.420 -12.982
  212    H    THR  32           H        THR  32 -11.034   4.869 -11.888
  213    HA   THR  32           HA       THR  32  -9.026   6.821 -11.070
  214    HB   THR  32           HB       THR  32 -11.594   6.856 -12.654
  215    HG1  THR  32           1HG      THR  32 -10.068   6.862 -14.076
  216   1HG2  THR  32          1HG2      THR  32 -10.283   9.254 -11.372
  217   2HG2  THR  32          2HG2      THR  32 -10.979   9.398 -12.979
  218   3HG2  THR  32          3HG2      THR  32 -12.016   8.914 -11.608
  219    H    ASP  33           H        ASP  33 -11.955   5.572  -9.691
  220    HA   ASP  33           HA       ASP  33 -12.795   7.674  -8.054
  221   1HB   ASP  33          2HB       ASP  33 -14.065   5.551  -8.313
  222   2HB   ASP  33          3HB       ASP  33 -12.773   4.702  -7.481
  223    H    CYS  34           H        CYS  34 -10.874   4.834  -6.999
  224    HA   CYS  34           HA       CYS  34  -9.709   6.517  -4.849
  225   1HB   CYS  34          2HB       CYS  34 -10.789   4.082  -4.616
  226   2HB   CYS  34          3HB       CYS  34  -9.183   3.563  -5.101
  227    H    SER  35           H        SER  35  -8.188   7.710  -5.974
  228    HA   SER  35           HA       SER  35  -5.678   6.501  -6.460
  229   1HB   SER  35          2HB       SER  35  -5.410   6.476  -8.782
  230   2HB   SER  35          3HB       SER  35  -6.999   5.775  -8.580
  231    HG   SER  35           HG       SER  35  -6.357   8.388  -9.440
  232    H    VAL  36           H        VAL  36  -4.282   8.014  -5.867
  233    HA   VAL  36           HA       VAL  36  -5.117  10.736  -5.757
  234    HB   VAL  36           HB       VAL  36  -2.301   9.887  -5.252
  235   1HG1  VAL  36          1HG1      VAL  36  -3.968  12.193  -4.648
  236   2HG1  VAL  36          2HG1      VAL  36  -3.446  11.461  -3.139
  237   3HG1  VAL  36          3HG1      VAL  36  -2.237  11.940  -4.342
  238   1HG2  VAL  36          1HG2      VAL  36  -4.708   8.999  -3.653
  239   2HG2  VAL  36          2HG2      VAL  36  -3.254   8.087  -4.129
  240   3HG2  VAL  36          3HG2      VAL  36  -3.163   9.288  -2.836
  241    H    LYS  37           H        LYS  37  -2.923  12.187  -6.390
  242    HA   LYS  37           HA       LYS  37  -2.197  11.544  -9.188
  243   1HB   LYS  37          2HB       LYS  37  -2.794  13.821  -9.923
  244   2HB   LYS  37          3HB       LYS  37  -4.194  12.874  -9.436
  245   1HG   LYS  37          2HG       LYS  37  -4.817  14.429  -7.946
  246   2HG   LYS  37          3HG       LYS  37  -3.300  14.288  -7.068
  247   1HD   LYS  37          2HD       LYS  37  -2.213  15.933  -8.380
  248   2HD   LYS  37          3HD       LYS  37  -3.519  15.954  -9.589
  249   1HE   LYS  37          2HE       LYS  37  -5.094  16.778  -7.826
  250   2HE   LYS  37          3HE       LYS  37  -3.742  16.830  -6.680
  251   1HZ   LYS  37          1HZ       LYS  37  -2.651  18.275  -8.480
  252   2HZ   LYS  37          2HZ       LYS  37  -4.167  18.484  -9.082
  253   3HZ   LYS  37          3HZ       LYS  37  -3.815  18.978  -7.546
  254    H    ASP  38           H        ASP  38  -0.258  12.337  -9.850
  255    HA   ASP  38           HA       ASP  38   1.708  12.738  -7.867
  256   1HB   ASP  38          2HB       ASP  38   1.759  12.152 -10.531
  257   2HB   ASP  38          3HB       ASP  38   2.121  13.877 -10.622
  258    H    VAL  39           H        VAL  39   3.098  14.685  -7.699
  259    HA   VAL  39           HA       VAL  39   1.450  17.189  -7.766
  260    HB   VAL  39           HB       VAL  39   1.949  16.308  -5.522
  261   1HG1  VAL  39          1HG1      VAL  39   3.965  15.361  -5.180
  262   2HG1  VAL  39          2HG1      VAL  39   4.717  16.165  -6.541
  263   3HG1  VAL  39          3HG1      VAL  39   4.603  17.011  -5.000
  264   1HG2  VAL  39          1HG2      VAL  39   2.199  18.960  -6.532
  265   2HG2  VAL  39          2HG2      VAL  39   1.749  18.441  -4.896
  266   3HG2  VAL  39          3HG2      VAL  39   3.443  18.790  -5.308
  267    H    LYS  40           H        LYS  40   2.547  16.605 -10.090
  268    HA   LYS  40           HA       LYS  40   4.048  18.773 -10.855
  269   1HB   LYS  40          2HB       LYS  40   5.739  16.750  -9.506
  270   2HB   LYS  40          3HB       LYS  40   6.339  17.051 -11.110
  271   1HG   LYS  40          2HG       LYS  40   6.722  19.326 -10.778
  272   2HG   LYS  40          3HG       LYS  40   5.599  19.462  -9.439
  273   1HD   LYS  40          2HD       LYS  40   7.253  17.720  -8.254
  274   2HD   LYS  40          3HD       LYS  40   8.387  18.358  -9.463
  275   1HE   LYS  40          2HE       LYS  40   7.400  20.703  -8.554
  276   2HE   LYS  40          3HE       LYS  40   6.965  19.714  -7.155
  277   1HZ   LYS  40          1HZ       LYS  40   9.079  20.059  -6.514
  278   2HZ   LYS  40          2HZ       LYS  40   9.525  19.002  -7.696
  279   3HZ   LYS  40          3HZ       LYS  40   9.551  20.618  -8.003
  280    H    GLU  41           H        GLU  41   5.152  15.528 -11.765
  281    HA   GLU  41           HA       GLU  41   3.290  15.387 -13.958
  282   1HB   GLU  41          2HB       GLU  41   5.655  16.899 -14.419
  283   2HB   GLU  41          3HB       GLU  41   6.030  15.299 -15.053
  284   1HG   GLU  41          2HG       GLU  41   3.665  15.446 -16.193
  285   2HG   GLU  41          3HG       GLU  41   3.742  17.164 -15.793
  286    H    LYS  42           H        LYS  42   3.443  13.385 -15.071
  287    HA   LYS  42           HA       LYS  42   4.582  11.263 -13.343
  288   1HB   LYS  42          2HB       LYS  42   2.193  11.242 -14.205
  289   2HB   LYS  42          3HB       LYS  42   2.834  10.980 -15.836
  290   1HG   LYS  42          2HG       LYS  42   3.732   8.860 -15.289
  291   2HG   LYS  42          3HG       LYS  42   3.723   9.180 -13.552
  292   1HD   LYS  42          2HD       LYS  42   1.559   8.627 -13.271
  293   2HD   LYS  42          3HD       LYS  42   1.029   9.300 -14.819
  294   1HE   LYS  42          2HE       LYS  42   1.256   7.361 -15.942
  295   2HE   LYS  42          3HE       LYS  42   2.814   6.998 -15.205
  296   1HZ   LYS  42          1HZ       LYS  42   1.551   6.371 -13.171
  297   2HZ   LYS  42          2HZ       LYS  42   0.147   6.489 -14.024
  298   3HZ   LYS  42          3HZ       LYS  42   1.290   5.374 -14.453
  299    H    LEU  43           H        LEU  43   6.663  12.413 -14.085
  300    HA   LEU  43           HA       LEU  43   7.802  12.213 -16.570
  301   1HB   LEU  43          2HB       LEU  43   9.894  12.359 -15.559
  302   2HB   LEU  43          3HB       LEU  43   8.816  13.086 -14.395
  303    HG   LEU  43           HG       LEU  43   8.934  10.331 -13.627
  304   1HD1  LEU  43          1HD1      LEU  43  11.345   9.930 -13.409
  305   2HD1  LEU  43          2HD1      LEU  43  10.841   9.991 -15.105
  306   3HD1  LEU  43          3HD1      LEU  43  11.688  11.375 -14.391
  307   1HD2  LEU  43          1HD2      LEU  43  10.265  11.216 -11.718
  308   2HD2  LEU  43          2HD2      LEU  43  10.262  12.805 -12.530
  309   3HD2  LEU  43          3HD2      LEU  43   8.732  12.040 -12.043
  310    H    GLU  44           H        GLU  44   9.176  10.657 -17.637
  311    HA   GLU  44           HA       GLU  44   8.691   7.838 -16.827
  312   1HB   GLU  44          2HB       GLU  44   7.235   9.084 -18.865
  313   2HB   GLU  44          3HB       GLU  44   8.500   8.287 -19.747
  314   1HG   GLU  44          2HG       GLU  44   7.218   6.438 -19.611
  315   2HG   GLU  44          3HG       GLU  44   7.909   6.259 -18.018
  316    H    ASN  45           H        ASN  45  10.797   7.874 -16.081
  317    HA   ASN  45           HA       ASN  45  13.083   8.644 -17.519
  318   1HB   ASN  45          2HB       ASN  45  12.513   6.504 -15.457
  319   2HB   ASN  45          3HB       ASN  45  14.066   6.459 -16.263
  320   1HD2  ASN  45          1HD2      ASN  45  12.579   7.599 -13.619
  321   2HD2  ASN  45          2HD2      ASN  45  13.674   8.941 -13.267
  322    H    TYR  46           H        TYR  46  14.763   7.067 -18.433
  323    HA   TYR  46           HA       TYR  46  13.509   4.954 -20.090
  324   1HB   TYR  46          2HB       TYR  46  14.510   5.911 -22.076
  325   2HB   TYR  46          3HB       TYR  46  13.489   7.131 -21.324
  326    HD1  TYR  46           HD1      TYR  46  16.717   6.463 -22.643
  327    HD2  TYR  46           HD2      TYR  46  14.689   8.869 -19.707
  328    HE1  TYR  46           HE1      TYR  46  18.696   8.043 -22.525
  329    HE2  TYR  46           HE2      TYR  46  16.639  10.406 -19.612
  330    HH   TYR  46           HH       TYR  46  19.031  10.398 -20.105
  331    H    LYS  47           H        LYS  47  14.913   3.369 -20.763
  332    HA   LYS  47           HA       LYS  47  17.687   3.548 -19.716
  333   1HB   LYS  47          2HB       LYS  47  16.060   2.231 -18.233
  334   2HB   LYS  47          3HB       LYS  47  16.125   0.974 -19.472
  335   1HG   LYS  47          2HG       LYS  47  18.724   2.199 -18.465
  336   2HG   LYS  47          3HG       LYS  47  17.870   1.072 -17.415
  337   1HD   LYS  47          2HD       LYS  47  18.008  -0.706 -19.014
  338   2HD   LYS  47          3HD       LYS  47  18.520   0.384 -20.307
  339   1HE   LYS  47          2HE       LYS  47  20.572   0.937 -18.876
  340   2HE   LYS  47          3HE       LYS  47  20.124  -0.477 -17.901
  341   1HZ   LYS  47          1HZ       LYS  47  20.866  -0.370 -20.771
  342   2HZ   LYS  47          2HZ       LYS  47  21.603  -1.229 -19.583
  343   3HZ   LYS  47          3HZ       LYS  47  20.108  -1.689 -20.116
  344    HA   PRO  48           HA       PRO  48  17.739   2.439 -24.120
  345   1HB   PRO  48          2HB       PRO  48  20.010   3.964 -24.729
  346   2HB   PRO  48          3HB       PRO  48  18.312   4.520 -24.843
  347   1HG   PRO  48          2HG       PRO  48  20.373   5.229 -22.822
  348   2HG   PRO  48          3HG       PRO  48  18.871   6.063 -23.286
  349   1HD   PRO  48          2HD       PRO  48  19.339   4.395 -20.986
  350   2HD   PRO  48          3HD       PRO  48  17.812   5.139 -21.448
  351    H    LYS  49           H        LYS  49  18.939   0.883 -25.058
  352    HA   LYS  49           HA       LYS  49  20.417  -0.910 -23.534
  353   1HB   LYS  49          2HB       LYS  49  19.943  -0.467 -26.444
  354   2HB   LYS  49          3HB       LYS  49  21.488  -1.229 -26.098
  355   1HG   LYS  49          2HG       LYS  49  19.982  -2.758 -24.462
  356   2HG   LYS  49          3HG       LYS  49  18.717  -2.238 -25.578
  357   1HD   LYS  49          2HD       LYS  49  20.826  -2.966 -27.296
  358   2HD   LYS  49          3HD       LYS  49  21.045  -4.067 -25.940
  359   1HE   LYS  49          2HE       LYS  49  18.217  -3.919 -26.594
  360   2HE   LYS  49          3HE       LYS  49  19.114  -4.132 -28.098
  361   1HZ   LYS  49          1HZ       LYS  49  18.524  -6.246 -26.971
  362   2HZ   LYS  49          2HZ       LYS  49  20.150  -6.078 -27.189
  363   3HZ   LYS  49          3HZ       LYS  49  19.491  -5.833 -25.701
  364    H    ASN  50           H        ASN  50  22.154   0.980 -26.055
  365    HA   ASN  50           HA       ASN  50  24.212   1.653 -24.081
  366   1HB   ASN  50          2HB       ASN  50  25.929   0.950 -25.565
  367   2HB   ASN  50          3HB       ASN  50  24.832  -0.436 -25.486
  368   1HD2  ASN  50          1HD2      ASN  50  26.761   0.387 -27.540
  369   2HD2  ASN  50          2HD2      ASN  50  25.802   0.549 -29.024
  Start of MODEL    8
    1   1H    ASP   1           H1       ASP   1   1.462  -0.867   0.457
    2   2H    ASP   1           H2       ASP   1   0.325   0.193  -0.157
    3   3H    ASP   1           H3       ASP   1   1.660   0.743   0.650
    4    HA   ASP   1           HA       ASP   1   1.429   0.207  -2.084
    5   1HB   ASP   1          2HB       ASP   1   4.074   0.770  -1.767
    6   2HB   ASP   1          3HB       ASP   1   2.803   1.986  -1.862
    7    H    GLU   2           H        GLU   2   3.133  -0.943  -3.364
    8    HA   GLU   2           HA       GLU   2   4.144  -2.819  -4.001
    9   1HB   GLU   2          2HB       GLU   2   5.189  -2.303  -1.332
   10   2HB   GLU   2          3HB       GLU   2   5.043  -4.032  -1.565
   11   1HG   GLU   2          2HG       GLU   2   7.090  -3.784  -2.455
   12   2HG   GLU   2          3HG       GLU   2   6.175  -3.474  -3.930
   13    H    ALA   3           H        ALA   3   2.796  -3.754  -0.854
   14    HA   ALA   3           HA       ALA   3   1.972  -6.332  -1.533
   15   1HB   ALA   3          1HB       ALA   3   1.449  -6.318   0.658
   16   2HB   ALA   3          2HB       ALA   3   1.666  -4.545   0.716
   17   3HB   ALA   3          3HB       ALA   3   0.081  -5.242   0.344
   18    H    GLN   4           H        GLN   4   0.012  -3.335  -1.558
   19    HA   GLN   4           HA       GLN   4  -2.362  -4.323  -2.549
   20   1HB   GLN   4          2HB       GLN   4  -0.915  -1.716  -2.726
   21   2HB   GLN   4          3HB       GLN   4  -2.009  -2.000  -4.069
   22   1HG   GLN   4          2HG       GLN   4  -3.723  -2.724  -2.154
   23   2HG   GLN   4          3HG       GLN   4  -2.662  -1.739  -1.134
   24   1HE2  GLN   4          1HE2      GLN   4  -4.710  -1.791  -4.044
   25   2HE2  GLN   4          2HE2      GLN   4  -4.974  -0.044  -4.061
   26    H    PHE   5           H        PHE   5   0.629  -4.117  -4.334
   27    HA   PHE   5           HA       PHE   5  -0.591  -4.810  -6.939
   28   1HB   PHE   5          2HB       PHE   5   1.379  -3.130  -6.527
   29   2HB   PHE   5          3HB       PHE   5   2.340  -4.542  -6.110
   30    HD1  PHE   5           HD1      PHE   5   0.915  -2.643  -8.782
   31    HD2  PHE   5           HD2      PHE   5   2.766  -6.408  -7.744
   32    HE1  PHE   5           HE1      PHE   5   1.519  -3.014 -11.131
   33    HE2  PHE   5           HE2      PHE   5   3.312  -6.788 -10.128
   34    HZ   PHE   5           HZ       PHE   5   2.634  -5.140 -11.834
   35    H    LYS   6           H        LYS   6   1.607  -6.149  -4.393
   36    HA   LYS   6           HA       LYS   6   2.179  -8.637  -5.670
   37   1HB   LYS   6          2HB       LYS   6   3.199  -9.215  -3.718
   38   2HB   LYS   6          3HB       LYS   6   3.031  -7.507  -3.383
   39   1HG   LYS   6          2HG       LYS   6   2.199  -8.393  -1.405
   40   2HG   LYS   6          3HG       LYS   6   0.704  -8.299  -2.281
   41   1HD   LYS   6          2HD       LYS   6   1.229 -10.761  -3.040
   42   2HD   LYS   6          3HD       LYS   6   2.413 -10.699  -1.743
   43   1HE   LYS   6          2HE       LYS   6  -0.056  -9.587  -0.731
   44   2HE   LYS   6          3HE       LYS   6  -0.503 -11.018  -1.657
   45   1HZ   LYS   6          1HZ       LYS   6   0.141 -11.369   0.762
   46   2HZ   LYS   6          2HZ       LYS   6   0.840 -12.359  -0.352
   47   3HZ   LYS   6          3HZ       LYS   6   1.704 -11.108   0.281
   48    H    GLU   7           H        GLU   7  -0.677  -7.521  -4.013
   49    HA   GLU   7           HA       GLU   7  -1.885 -10.154  -3.938
   50   1HB   GLU   7          2HB       GLU   7  -2.609  -7.420  -3.015
   51   2HB   GLU   7          3HB       GLU   7  -3.971  -8.350  -3.652
   52   1HG   GLU   7          2HG       GLU   7  -3.244 -10.282  -2.165
   53   2HG   GLU   7          3HG       GLU   7  -2.113  -9.162  -1.393
   54    H    CYS   8           H        CYS   8  -1.855  -7.398  -6.142
   55    HA   CYS   8           HA       CYS   8  -4.083  -8.423  -7.743
   56   1HB   CYS   8          2HB       CYS   8  -2.877  -5.977  -7.499
   57   2HB   CYS   8          3HB       CYS   8  -2.008  -6.602  -8.878
   58    H    TYR   9           H        TYR   9  -0.488  -8.443  -7.887
   59    HA   TYR   9           HA       TYR   9  -0.279  -9.879 -10.321
   60   1HB   TYR   9          2HB       TYR   9   1.483  -8.624  -8.848
   61   2HB   TYR   9          3HB       TYR   9   1.567 -10.083  -7.887
   62    HD1  TYR   9           HD1      TYR   9   2.439 -12.229  -8.901
   63    HD2  TYR   9           HD2      TYR   9   2.467  -8.467 -11.030
   64    HE1  TYR   9           HE1      TYR   9   4.179 -13.083 -10.417
   65    HE2  TYR   9           HE2      TYR   9   4.256  -9.352 -12.511
   66    HH   TYR   9           HH       TYR   9   5.221 -11.150 -13.299
   67    H    ASP  10           H        ASP  10  -0.175 -11.094  -6.941
   68    HA   ASP  10           HA       ASP  10   0.030 -13.845  -7.635
   69   1HB   ASP  10          2HB       ASP  10   0.222 -12.545  -5.311
   70   2HB   ASP  10          3HB       ASP  10  -1.484 -12.922  -5.159
   71    H    THR  11           H        THR  11  -2.794 -11.886  -6.736
   72    HA   THR  11           HA       THR  11  -4.757 -13.922  -7.098
   73    HB   THR  11           HB       THR  11  -5.098 -10.911  -7.220
   74    HG1  THR  11           1HG      THR  11  -4.307 -11.370  -5.313
   75   1HG2  THR  11          1HG2      THR  11  -7.323 -11.138  -6.991
   76   2HG2  THR  11          2HG2      THR  11  -7.077 -12.673  -7.846
   77   3HG2  THR  11          3HG2      THR  11  -7.209 -12.657  -6.073
   78    H    CYS  12           H        CYS  12  -3.601 -11.309  -9.294
   79    HA   CYS  12           HA       CYS  12  -5.310 -11.887 -11.480
   80   1HB   CYS  12          2HB       CYS  12  -3.954  -9.842 -11.326
   81   2HB   CYS  12          3HB       CYS  12  -2.474 -10.787 -11.550
   82    H    HIS  13           H        HIS  13  -2.060 -13.170 -10.536
   83    HA   HIS  13           HA       HIS  13  -1.672 -14.903 -12.696
   84   1HB   HIS  13          2HB       HIS  13  -0.191 -14.385 -10.535
   85   2HB   HIS  13          3HB       HIS  13  -0.961 -15.841  -9.964
   86    HD1  HIS  13           HD1      HIS  13   0.059 -18.030 -10.838
   87    HD2  HIS  13           HD2      HIS  13   1.265 -14.562 -12.920
   88    HE1  HIS  13           HE1      HIS  13   1.908 -18.759 -12.447
   89    HE2  HIS  13           HE2      HIS  13   2.669 -16.619 -13.729
   90    H    LYS  14           H        LYS  14  -3.625 -15.384  -9.786
   91    HA   LYS  14           HA       LYS  14  -4.344 -18.112 -10.276
   92   1HB   LYS  14          2HB       LYS  14  -5.104 -15.990  -8.451
   93   2HB   LYS  14          3HB       LYS  14  -6.575 -16.681  -9.086
   94   1HG   LYS  14          2HG       LYS  14  -4.373 -18.565  -8.200
   95   2HG   LYS  14          3HG       LYS  14  -5.182 -17.601  -6.973
   96   1HD   LYS  14          2HD       LYS  14  -7.348 -18.552  -8.487
   97   2HD   LYS  14          3HD       LYS  14  -6.208 -19.880  -8.601
   98   1HE   LYS  14          2HE       LYS  14  -6.748 -20.517  -6.516
   99   2HE   LYS  14          3HE       LYS  14  -6.138 -18.988  -5.874
  100   1HZ   LYS  14          1HZ       LYS  14  -8.222 -18.064  -5.869
  101   2HZ   LYS  14          2HZ       LYS  14  -8.797 -18.997  -7.090
  102   3HZ   LYS  14          3HZ       LYS  14  -8.643 -19.632  -5.580
  103    H    GLU  15           H        GLU  15  -6.503 -15.319 -10.964
  104    HA   GLU  15           HA       GLU  15  -8.185 -16.814 -12.751
  105   1HB   GLU  15          2HB       GLU  15  -8.690 -14.582 -11.611
  106   2HB   GLU  15          3HB       GLU  15  -7.642 -13.821 -12.819
  107   1HG   GLU  15          2HG       GLU  15  -9.115 -14.800 -14.630
  108   2HG   GLU  15          3HG       GLU  15 -10.145 -15.486 -13.374
  109    H    CYS  16           H        CYS  16  -5.037 -15.454 -13.213
  110    HA   CYS  16           HA       CYS  16  -5.156 -15.332 -16.048
  111   1HB   CYS  16          2HB       CYS  16  -3.553 -14.054 -14.698
  112   2HB   CYS  16          3HB       CYS  16  -2.697 -15.548 -14.300
  113    H    SER  17           H        SER  17  -3.170 -17.480 -13.974
  114    HA   SER  17           HA       SER  17  -2.582 -19.462 -15.870
  115   1HB   SER  17          2HB       SER  17  -2.130 -19.114 -13.105
  116   2HB   SER  17          3HB       SER  17  -3.078 -20.586 -13.203
  117    HG   SER  17           HG       SER  17  -1.530 -21.490 -14.491
  118    H    ASP  18           H        ASP  18  -5.600 -18.871 -14.123
  119    HA   ASP  18           HA       ASP  18  -6.958 -21.327 -14.394
  120   1HB   ASP  18          2HB       ASP  18  -8.069 -19.638 -13.172
  121   2HB   ASP  18          3HB       ASP  18  -7.757 -18.445 -14.409
  122    H    LYS  19           H        LYS  19  -6.246 -18.779 -16.839
  123    HA   LYS  19           HA       LYS  19  -7.897 -19.857 -18.836
  124   1HB   LYS  19          2HB       LYS  19  -5.808 -17.776 -18.607
  125   2HB   LYS  19          3HB       LYS  19  -5.616 -18.647 -20.049
  126   1HG   LYS  19          2HG       LYS  19  -8.467 -17.947 -19.485
  127   2HG   LYS  19          3HG       LYS  19  -7.418 -16.550 -19.387
  128   1HD   LYS  19          2HD       LYS  19  -7.800 -16.458 -21.635
  129   2HD   LYS  19          3HD       LYS  19  -6.446 -17.589 -21.700
  130   1HE   LYS  19          2HE       LYS  19  -8.279 -19.452 -21.412
  131   2HE   LYS  19          3HE       LYS  19  -9.423 -18.165 -21.822
  132   1HZ   LYS  19          1HZ       LYS  19  -7.985 -17.803 -23.845
  133   2HZ   LYS  19          2HZ       LYS  19  -7.204 -19.209 -23.471
  134   3HZ   LYS  19          3HZ       LYS  19  -8.804 -19.237 -23.841
  135    H    GLY  20           H        GLY  20  -5.267 -21.230 -17.415
  136   1HA   GLY  20          2HA       GLY  20  -4.288 -23.282 -17.739
  137   2HA   GLY  20          3HA       GLY  20  -5.141 -23.445 -19.287
  138    H    ASN  21           H        ASN  21  -3.334 -20.541 -18.650
  139    HA   ASN  21           HA       ASN  21  -1.519 -21.130 -20.866
  140   1HB   ASN  21          2HB       ASN  21  -2.463 -18.733 -19.447
  141   2HB   ASN  21          3HB       ASN  21  -0.763 -18.682 -19.825
  142   1HD2  ASN  21          1HD2      ASN  21  -3.249 -17.354 -20.937
  143   2HD2  ASN  21          2HD2      ASN  21  -2.985 -17.548 -22.687
  144    H    GLY  22           H        GLY  22   0.762 -20.136 -20.414
  145   1HA   GLY  22          2HA       GLY  22   2.014 -21.889 -18.398
  146   2HA   GLY  22          3HA       GLY  22   2.866 -20.802 -19.528
  147    H    PHE  23           H        PHE  23   3.082 -21.265 -16.590
  148    HA   PHE  23           HA       PHE  23   2.163 -19.179 -15.003
  149   1HB   PHE  23          2HB       PHE  23   3.613 -21.242 -14.417
  150   2HB   PHE  23          3HB       PHE  23   5.010 -20.315 -14.928
  151    HD1  PHE  23           HD1      PHE  23   3.309 -21.358 -12.145
  152    HD2  PHE  23           HD2      PHE  23   5.029 -17.703 -13.743
  153    HE1  PHE  23           HE1      PHE  23   3.450 -20.371  -9.862
  154    HE2  PHE  23           HE2      PHE  23   5.145 -16.794 -11.470
  155    HZ   PHE  23           HZ       PHE  23   4.341 -18.064  -9.559
  156    H    THR  24           H        THR  24   5.348 -19.215 -16.616
  157    HA   THR  24           HA       THR  24   6.198 -16.637 -16.116
  158    HB   THR  24           HB       THR  24   6.746 -18.682 -18.208
  159    HG1  THR  24           1HG      THR  24   8.411 -18.657 -16.902
  160   1HG2  THR  24          1HG2      THR  24   6.625 -16.848 -19.803
  161   2HG2  THR  24          2HG2      THR  24   7.447 -15.755 -18.662
  162   3HG2  THR  24          3HG2      THR  24   8.316 -17.105 -19.427
  163    H    PHE  25           H        PHE  25   4.514 -17.561 -19.159
  164    HA   PHE  25           HA       PHE  25   4.076 -14.996 -20.137
  165   1HB   PHE  25          2HB       PHE  25   3.564 -17.002 -21.418
  166   2HB   PHE  25          3HB       PHE  25   2.403 -17.538 -20.203
  167    HD1  PHE  25           HD1      PHE  25   0.132 -16.840 -20.223
  168    HD2  PHE  25           HD2      PHE  25   3.000 -14.873 -22.754
  169    HE1  PHE  25           HE1      PHE  25  -1.714 -15.683 -21.424
  170    HE2  PHE  25           HE2      PHE  25   1.143 -13.753 -23.980
  171    HZ   PHE  25           HZ       PHE  25  -1.223 -14.200 -23.325
  172    H    CYS  26           H        CYS  26   1.987 -16.850 -17.840
  173    HA   CYS  26           HA       CYS  26   0.050 -14.854 -17.616
  174   1HB   CYS  26          2HB       CYS  26   0.760 -17.389 -16.274
  175   2HB   CYS  26          3HB       CYS  26   0.169 -16.207 -15.151
  176    H    GLU  27           H        GLU  27   3.181 -15.269 -16.062
  177    HA   GLU  27           HA       GLU  27   2.800 -13.258 -14.034
  178   1HB   GLU  27          2HB       GLU  27   4.894 -15.185 -14.862
  179   2HB   GLU  27          3HB       GLU  27   5.552 -13.570 -14.620
  180   1HG   GLU  27          2HG       GLU  27   3.980 -13.753 -12.439
  181   2HG   GLU  27          3HG       GLU  27   4.201 -15.417 -12.712
  182    H    MET  28           H        MET  28   5.017 -13.279 -16.855
  183    HA   MET  28           HA       MET  28   5.621 -10.594 -16.904
  184   1HB   MET  28          2HB       MET  28   5.794 -12.831 -18.741
  185   2HB   MET  28          3HB       MET  28   5.120 -11.499 -19.649
  186   1HG   MET  28          2HG       MET  28   7.207 -10.730 -19.909
  187   2HG   MET  28          3HG       MET  28   7.201 -10.295 -18.203
  188   1HE   MET  28          1HE       MET  28  10.446 -11.546 -17.686
  189   2HE   MET  28          2HE       MET  28  10.378 -11.348 -19.458
  190   3HE   MET  28          3HE       MET  28   9.495 -10.223 -18.393
  191    H    LYS  29           H        LYS  29   2.608 -12.080 -17.795
  192    HA   LYS  29           HA       LYS  29   1.557  -9.634 -19.016
  193   1HB   LYS  29          2HB       LYS  29   0.962 -12.137 -19.690
  194   2HB   LYS  29          3HB       LYS  29  -0.130 -12.043 -18.308
  195   1HG   LYS  29          2HG       LYS  29  -1.400 -11.325 -20.202
  196   2HG   LYS  29          3HG       LYS  29  -0.934  -9.806 -19.411
  197   1HD   LYS  29          2HD       LYS  29   1.219 -10.057 -21.057
  198   2HD   LYS  29          3HD       LYS  29   0.106 -11.097 -21.944
  199   1HE   LYS  29          2HE       LYS  29  -1.553  -9.027 -21.616
  200   2HE   LYS  29          3HE       LYS  29  -0.060  -8.141 -21.281
  201   1HZ   LYS  29          1HZ       LYS  29   0.731  -9.202 -23.465
  202   2HZ   LYS  29          2HZ       LYS  29  -0.862  -9.490 -23.770
  203   3HZ   LYS  29          3HZ       LYS  29  -0.325  -7.943 -23.577
  204    H    CYS  30           H        CYS  30   0.527 -11.639 -16.214
  205    HA   CYS  30           HA       CYS  30  -1.214  -9.873 -14.987
  206   1HB   CYS  30          2HB       CYS  30   0.786 -11.863 -13.904
  207   2HB   CYS  30          3HB       CYS  30  -0.221 -10.922 -12.827
  208    H    ASP  31           H        ASP  31   2.291  -9.710 -15.148
  209    HA   ASP  31           HA       ASP  31   2.848  -7.774 -13.187
  210   1HB   ASP  31          2HB       ASP  31   4.390  -9.243 -14.882
  211   2HB   ASP  31          3HB       ASP  31   4.317  -7.809 -15.850
  212    H    THR  32           H        THR  32   2.448  -7.343 -16.691
  213    HA   THR  32           HA       THR  32   2.130  -4.450 -16.418
  214    HB   THR  32           HB       THR  32   2.146  -6.428 -18.708
  215    HG1  THR  32           1HG      THR  32   3.463  -4.026 -18.025
  216   1HG2  THR  32          1HG2      THR  32   0.331  -4.794 -19.304
  217   2HG2  THR  32          2HG2      THR  32   1.472  -3.466 -18.988
  218   3HG2  THR  32          3HG2      THR  32   1.773  -4.625 -20.314
  219    H    ASP  33           H        ASP  33  -0.037  -7.191 -16.505
  220    HA   ASP  33           HA       ASP  33  -2.432  -6.063 -17.361
  221   1HB   ASP  33          2HB       ASP  33  -1.716  -8.536 -16.595
  222   2HB   ASP  33          3HB       ASP  33  -2.429  -8.054 -15.072
  223    H    CYS  34           H        CYS  34  -1.417  -6.665 -13.996
  224    HA   CYS  34           HA       CYS  34  -3.269  -4.613 -12.989
  225   1HB   CYS  34          2HB       CYS  34  -1.497  -6.719 -11.749
  226   2HB   CYS  34          3HB       CYS  34  -2.041  -5.365 -10.776
  227    H    SER  35           H        SER  35  -1.600  -3.432 -14.636
  228    HA   SER  35           HA       SER  35  -0.272  -1.487 -12.945
  229   1HB   SER  35          2HB       SER  35   1.377  -3.427 -13.206
  230   2HB   SER  35          3HB       SER  35   1.624  -2.879 -14.860
  231    HG   SER  35           HG       SER  35   2.952  -2.027 -13.027
  232    H    VAL  36           H        VAL  36  -2.287  -0.882 -14.595
  233    HA   VAL  36           HA       VAL  36  -1.554  -0.338 -17.286
  234    HB   VAL  36           HB       VAL  36  -3.915   0.949 -15.991
  235   1HG1  VAL  36          1HG1      VAL  36  -3.059   0.193 -18.732
  236   2HG1  VAL  36          2HG1      VAL  36  -4.728  -0.229 -18.380
  237   3HG1  VAL  36          3HG1      VAL  36  -4.205   1.441 -18.188
  238   1HG2  VAL  36          1HG2      VAL  36  -4.377  -1.064 -15.018
  239   2HG2  VAL  36          2HG2      VAL  36  -5.121  -1.364 -16.589
  240   3HG2  VAL  36          3HG2      VAL  36  -3.522  -2.013 -16.255
  241    H    LYS  37           H        LYS  37  -2.372   2.122 -17.859
  242    HA   LYS  37           HA       LYS  37  -1.669   4.247 -16.174
  243   1HB   LYS  37          2HB       LYS  37   0.691   2.857 -17.157
  244   2HB   LYS  37          3HB       LYS  37   0.600   4.386 -18.004
  245   1HG   LYS  37          2HG       LYS  37   0.074   5.335 -15.527
  246   2HG   LYS  37          3HG       LYS  37   0.813   3.810 -15.034
  247   1HD   LYS  37          2HD       LYS  37   2.581   4.723 -16.972
  248   2HD   LYS  37          3HD       LYS  37   1.997   6.236 -16.273
  249   1HE   LYS  37          2HE       LYS  37   3.190   5.937 -14.381
  250   2HE   LYS  37          3HE       LYS  37   2.581   4.289 -14.161
  251   1HZ   LYS  37          1HZ       LYS  37   5.071   4.554 -14.607
  252   2HZ   LYS  37          2HZ       LYS  37   4.260   3.411 -15.471
  253   3HZ   LYS  37          3HZ       LYS  37   4.646   4.841 -16.178
  254    H    ASP  38           H        ASP  38  -3.028   5.660 -17.012
  255    HA   ASP  38           HA       ASP  38  -4.242   5.742 -19.451
  256   1HB   ASP  38          2HB       ASP  38  -4.315   7.353 -17.263
  257   2HB   ASP  38          3HB       ASP  38  -3.337   8.379 -18.302
  258    H    VAL  39           H        VAL  39  -3.584   6.091 -21.500
  259    HA   VAL  39           HA       VAL  39  -1.333   7.839 -22.150
  260    HB   VAL  39           HB       VAL  39  -1.117   4.824 -22.370
  261   1HG1  VAL  39          1HG1      VAL  39  -0.560   5.124 -24.567
  262   2HG1  VAL  39          2HG1      VAL  39  -0.063   6.816 -24.352
  263   3HG1  VAL  39          3HG1      VAL  39   1.013   5.472 -23.908
  264   1HG2  VAL  39          1HG2      VAL  39   1.416   5.771 -21.868
  265   2HG2  VAL  39          2HG2      VAL  39   0.459   7.068 -21.171
  266   3HG2  VAL  39          3HG2      VAL  39   0.229   5.401 -20.618
  267    H    LYS  40           H        LYS  40  -3.144   8.892 -23.075
  268    HA   LYS  40           HA       LYS  40  -3.388   8.701 -25.830
  269   1HB   LYS  40          2HB       LYS  40  -5.807   7.772 -25.966
  270   2HB   LYS  40          3HB       LYS  40  -4.495   6.635 -25.921
  271   1HG   LYS  40          2HG       LYS  40  -4.926   5.966 -23.656
  272   2HG   LYS  40          3HG       LYS  40  -5.776   7.431 -23.271
  273   1HD   LYS  40          2HD       LYS  40  -6.896   5.646 -25.425
  274   2HD   LYS  40          3HD       LYS  40  -6.916   5.056 -23.758
  275   1HE   LYS  40          2HE       LYS  40  -8.819   6.224 -23.515
  276   2HE   LYS  40          3HE       LYS  40  -7.757   7.623 -23.318
  277   1HZ   LYS  40          1HZ       LYS  40  -8.444   6.887 -26.039
  278   2HZ   LYS  40          2HZ       LYS  40  -9.647   7.572 -25.140
  279   3HZ   LYS  40          3HZ       LYS  40  -8.225   8.382 -25.382
  280    H    GLU  41           H        GLU  41  -3.594  10.802 -26.011
  281    HA   GLU  41           HA       GLU  41  -5.028  12.493 -24.209
  282   1HB   GLU  41          2HB       GLU  41  -3.803  12.755 -26.954
  283   2HB   GLU  41          3HB       GLU  41  -4.948  13.992 -26.469
  284   1HG   GLU  41          2HG       GLU  41  -2.831  13.222 -24.460
  285   2HG   GLU  41          3HG       GLU  41  -2.340  14.164 -25.869
  286    H    LYS  42           H        LYS  42  -6.782  13.940 -24.911
  287    HA   LYS  42           HA       LYS  42  -9.076  12.220 -25.675
  288   1HB   LYS  42          2HB       LYS  42  -9.009  13.980 -23.737
  289   2HB   LYS  42          3HB       LYS  42  -9.211  15.175 -25.008
  290   1HG   LYS  42          2HG       LYS  42 -11.124  13.146 -25.612
  291   2HG   LYS  42          3HG       LYS  42 -11.152  13.263 -23.852
  292   1HD   LYS  42          2HD       LYS  42 -11.744  15.607 -23.943
  293   2HD   LYS  42          3HD       LYS  42 -11.310  15.717 -25.658
  294   1HE   LYS  42          2HE       LYS  42 -13.604  15.592 -25.855
  295   2HE   LYS  42          3HE       LYS  42 -13.122  13.922 -26.077
  296   1HZ   LYS  42          1HZ       LYS  42 -14.501  13.483 -24.383
  297   2HZ   LYS  42          2HZ       LYS  42 -13.426  14.215 -23.362
  298   3HZ   LYS  42          3HZ       LYS  42 -14.681  15.075 -24.003
  299    H    LEU  43           H        LEU  43  -7.897  11.981 -27.778
  300    HA   LEU  43           HA       LEU  43  -7.599  13.831 -29.785
  301   1HB   LEU  43          2HB       LEU  43  -7.778  12.091 -31.357
  302   2HB   LEU  43          3HB       LEU  43  -7.134  11.350 -29.913
  303    HG   LEU  43           HG       LEU  43  -8.665   9.834 -30.876
  304   1HD1  LEU  43          1HD1      LEU  43  -8.765   9.959 -28.426
  305   2HD1  LEU  43          2HD1      LEU  43 -10.127  11.071 -28.516
  306   3HD1  LEU  43          3HD1      LEU  43 -10.333   9.448 -29.128
  307   1HD2  LEU  43          1HD2      LEU  43 -11.220  11.200 -30.796
  308   2HD2  LEU  43          2HD2      LEU  43 -10.088  12.051 -31.848
  309   3HD2  LEU  43          3HD2      LEU  43 -10.434  10.355 -32.137
  310    H    GLU  44           H        GLU  44  -8.867  15.171 -30.914
  311    HA   GLU  44           HA       GLU  44 -11.569  14.763 -31.627
  312   1HB   GLU  44          2HB       GLU  44 -12.219  14.920 -29.285
  313   2HB   GLU  44          3HB       GLU  44 -11.210  16.352 -29.035
  314   1HG   GLU  44          2HG       GLU  44 -12.697  17.647 -30.450
  315   2HG   GLU  44          3HG       GLU  44 -13.567  16.190 -30.958
  316    H    ASN  45           H        ASN  45  -9.230  17.167 -30.489
  317    HA   ASN  45           HA       ASN  45 -10.008  19.427 -31.885
  318   1HB   ASN  45          2HB       ASN  45  -7.630  20.044 -31.943
  319   2HB   ASN  45          3HB       ASN  45  -8.057  19.405 -30.356
  320   1HD2  ASN  45          1HD2      ASN  45  -5.404  19.581 -31.228
  321   2HD2  ASN  45          2HD2      ASN  45  -4.857  17.904 -31.462
  322    H    TYR  46           H        TYR  46  -9.521  20.336 -33.911
  323    HA   TYR  46           HA       TYR  46  -8.287  18.675 -35.969
  324   1HB   TYR  46          2HB       TYR  46 -11.129  18.519 -35.414
  325   2HB   TYR  46          3HB       TYR  46 -10.931  19.342 -36.943
  326    HD1  TYR  46           HD1      TYR  46 -11.333  16.214 -35.453
  327    HD2  TYR  46           HD2      TYR  46  -9.070  18.172 -38.550
  328    HE1  TYR  46           HE1      TYR  46 -11.033  14.027 -36.619
  329    HE2  TYR  46           HE2      TYR  46  -8.732  15.968 -39.693
  330    HH   TYR  46           HH       TYR  46  -8.740  13.536 -39.055
  331    H    LYS  47           H        LYS  47  -7.728  19.842 -37.726
  332    HA   LYS  47           HA       LYS  47  -7.995  22.772 -37.428
  333   1HB   LYS  47          2HB       LYS  47  -6.273  22.906 -39.187
  334   2HB   LYS  47          3HB       LYS  47  -5.749  21.977 -37.781
  335   1HG   LYS  47          2HG       LYS  47  -6.041  19.879 -38.954
  336   2HG   LYS  47          3HG       LYS  47  -6.915  20.664 -40.274
  337   1HD   LYS  47          2HD       LYS  47  -4.529  22.072 -40.316
  338   2HD   LYS  47          3HD       LYS  47  -4.006  20.477 -39.740
  339   1HE   LYS  47          2HE       LYS  47  -5.613  19.665 -41.740
  340   2HE   LYS  47          3HE       LYS  47  -5.322  21.296 -42.349
  341   1HZ   LYS  47          1HZ       LYS  47  -3.180  20.765 -42.832
  342   2HZ   LYS  47          2HZ       LYS  47  -2.953  19.897 -41.455
  343   3HZ   LYS  47          3HZ       LYS  47  -3.676  19.193 -42.750
  344    HA   PRO  48           HA       PRO  48 -11.025  23.102 -40.567
  345   1HB   PRO  48          2HB       PRO  48 -10.464  25.643 -41.592
  346   2HB   PRO  48          3HB       PRO  48 -11.346  25.297 -40.078
  347   1HG   PRO  48          2HG       PRO  48  -8.576  26.314 -40.426
  348   2HG   PRO  48          3HG       PRO  48  -9.662  26.422 -39.006
  349   1HD   PRO  48          2HD       PRO  48  -7.495  24.622 -39.435
  350   2HD   PRO  48          3HD       PRO  48  -8.634  24.650 -38.058
  351    H    LYS  49           H        LYS  49 -11.357  23.426 -42.896
  352    HA   LYS  49           HA       LYS  49  -8.995  22.454 -44.405
  353   1HB   LYS  49          2HB       LYS  49 -11.358  21.186 -44.220
  354   2HB   LYS  49          3HB       LYS  49 -11.814  22.306 -45.498
  355   1HG   LYS  49          2HG       LYS  49  -9.148  21.069 -45.961
  356   2HG   LYS  49          3HG       LYS  49 -10.396  19.852 -45.741
  357   1HD   LYS  49          2HD       LYS  49 -11.658  20.622 -47.592
  358   2HD   LYS  49          3HD       LYS  49 -10.859  22.181 -47.619
  359   1HE   LYS  49          2HE       LYS  49  -8.860  20.075 -47.906
  360   2HE   LYS  49          3HE       LYS  49 -10.170  19.804 -49.067
  361   1HZ   LYS  49          1HZ       LYS  49  -9.886  22.207 -49.707
  362   2HZ   LYS  49          2HZ       LYS  49  -8.681  22.364 -48.794
  363   3HZ   LYS  49          3HZ       LYS  49  -8.537  21.306 -50.073
  364    H    ASN  50           H        ASN  50  -8.997  23.152 -46.706
  365    HA   ASN  50           HA       ASN  50  -9.435  26.103 -46.900
  366   1HB   ASN  50          2HB       ASN  50  -7.505  24.287 -48.403
  367   2HB   ASN  50          3HB       ASN  50  -7.681  26.024 -48.642
  368   1HD2  ASN  50          1HD2      ASN  50  -5.300  24.547 -47.899
  369   2HD2  ASN  50          2HD2      ASN  50  -4.852  25.243 -46.326
  Start of MODEL    9
    1   1H    ASP   1           H1       ASP   1   1.361   1.096   0.535
    2   2H    ASP   1           H2       ASP   1   1.630  -0.521   0.800
    3   3H    ASP   1           H3       ASP   1   0.274  -0.011   0.023
    4    HA   ASP   1           HA       ASP   1   2.776  -0.625  -1.123
    5   1HB   ASP   1          2HB       ASP   1   1.115   0.287  -3.162
    6   2HB   ASP   1          3HB       ASP   1   1.564  -1.343  -2.731
    7    H    GLU   2           H        GLU   2   4.208   0.888  -0.340
    8    HA   GLU   2           HA       GLU   2   3.939   3.575  -1.645
    9   1HB   GLU   2          2HB       GLU   2   4.873   2.722   1.003
   10   2HB   GLU   2          3HB       GLU   2   6.056   3.715   0.162
   11   1HG   GLU   2          2HG       GLU   2   4.815   5.322   1.185
   12   2HG   GLU   2          3HG       GLU   2   4.028   5.305  -0.376
   13    H    ALA   3           H        ALA   3   6.124   0.855  -1.205
   14    HA   ALA   3           HA       ALA   3   8.274   2.013  -2.695
   15   1HB   ALA   3          1HB       ALA   3   8.531   0.085  -1.114
   16   2HB   ALA   3          2HB       ALA   3   7.744  -0.949  -2.344
   17   3HB   ALA   3          3HB       ALA   3   9.283  -0.150  -2.712
   18    H    GLN   4           H        GLN   4   5.818  -0.367  -3.801
   19    HA   GLN   4           HA       GLN   4   6.467  -0.617  -6.451
   20   1HB   GLN   4          2HB       GLN   4   4.302  -1.379  -6.797
   21   2HB   GLN   4          3HB       GLN   4   4.500  -1.573  -5.053
   22   1HG   GLN   4          2HG       GLN   4   3.316   0.616  -4.720
   23   2HG   GLN   4          3HG       GLN   4   3.073   0.730  -6.477
   24   1HE2  GLN   4          1HE2      GLN   4   0.732   0.964  -5.636
   25   2HE2  GLN   4          2HE2      GLN   4  -0.014  -0.588  -5.236
   26    H    PHE   5           H        PHE   5   5.083   2.161  -4.964
   27    HA   PHE   5           HA       PHE   5   4.654   3.707  -7.435
   28   1HB   PHE   5          2HB       PHE   5   3.061   3.695  -5.381
   29   2HB   PHE   5          3HB       PHE   5   4.328   4.575  -4.530
   30    HD1  PHE   5           HD1      PHE   5   1.631   4.754  -6.884
   31    HD2  PHE   5           HD2      PHE   5   5.141   6.873  -5.505
   32    HE1  PHE   5           HE1      PHE   5   0.722   6.889  -7.756
   33    HE2  PHE   5           HE2      PHE   5   4.244   8.962  -6.481
   34    HZ   PHE   5           HZ       PHE   5   2.079   8.945  -7.675
   35    H    LYS   6           H        LYS   6   6.641   3.918  -4.473
   36    HA   LYS   6           HA       LYS   6   8.182   6.174  -5.222
   37   1HB   LYS   6          2HB       LYS   6   9.454   5.750  -3.399
   38   2HB   LYS   6          3HB       LYS   6   8.177   4.646  -3.014
   39   1HG   LYS   6          2HG       LYS   6  10.060   3.386  -2.594
   40   2HG   LYS   6          3HG       LYS   6   9.670   2.817  -4.195
   41   1HD   LYS   6          2HD       LYS   6  11.685   3.386  -4.945
   42   2HD   LYS   6          3HD       LYS   6  11.333   5.086  -4.595
   43   1HE   LYS   6          2HE       LYS   6  11.887   4.390  -2.117
   44   2HE   LYS   6          3HE       LYS   6  12.694   3.004  -2.875
   45   1HZ   LYS   6          1HZ       LYS   6  13.177   5.881  -3.469
   46   2HZ   LYS   6          2HZ       LYS   6  14.242   4.899  -2.677
   47   3HZ   LYS   6          3HZ       LYS   6  13.899   4.665  -4.277
   48    H    GLU   7           H        GLU   7   8.484   2.887  -6.258
   49    HA   GLU   7           HA       GLU   7  10.922   3.300  -7.789
   50   1HB   GLU   7          2HB       GLU   7   8.937   1.015  -7.537
   51   2HB   GLU   7          3HB       GLU   7  10.135   1.030  -8.840
   52   1HG   GLU   7          2HG       GLU   7  11.980   1.088  -7.340
   53   2HG   GLU   7          3HG       GLU   7  10.947   1.379  -5.936
   54    H    CYS   8           H        CYS   8   7.456   3.394  -8.475
   55    HA   CYS   8           HA       CYS   8   7.886   3.713 -11.358
   56   1HB   CYS   8          2HB       CYS   8   5.661   3.075  -9.865
   57   2HB   CYS   8          3HB       CYS   8   5.479   4.814  -9.992
   58    H    TYR   9           H        TYR   9   7.281   5.898  -8.603
   59    HA   TYR   9           HA       TYR   9   7.403   8.323 -10.047
   60   1HB   TYR   9          2HB       TYR   9   6.704   7.824  -7.606
   61   2HB   TYR   9          3HB       TYR   9   8.395   7.891  -7.182
   62    HD1  TYR   9           HD1      TYR   9   9.666  10.107  -7.465
   63    HD2  TYR   9           HD2      TYR   9   5.409   9.746  -8.149
   64    HE1  TYR   9           HE1      TYR   9   9.400  12.509  -7.040
   65    HE2  TYR   9           HE2      TYR   9   5.157  12.129  -7.614
   66    HH   TYR   9           HH       TYR   9   6.046  13.941  -6.890
   67    H    ASP  10           H        ASP  10  10.056   6.762  -8.247
   68    HA   ASP  10           HA       ASP  10  12.105   8.618  -8.993
   69   1HB   ASP  10          2HB       ASP  10  12.077   6.684  -7.195
   70   2HB   ASP  10          3HB       ASP  10  12.660   5.654  -8.484
   71    H    THR  11           H        THR  11  11.304   5.472 -10.369
   72    HA   THR  11           HA       THR  11  13.160   5.557 -12.572
   73    HB   THR  11           HB       THR  11  10.677   3.849 -12.254
   74    HG1  THR  11           1HG      THR  11  11.900   2.568 -11.219
   75   1HG2  THR  11          1HG2      THR  11  12.721   3.897 -14.420
   76   2HG2  THR  11          2HG2      THR  11  12.339   2.307 -13.735
   77   3HG2  THR  11          3HG2      THR  11  11.042   3.309 -14.401
   78    H    CYS  12           H        CYS  12   9.636   6.387 -12.417
   79    HA   CYS  12           HA       CYS  12   9.407   7.169 -15.179
   80   1HB   CYS  12          2HB       CYS  12   7.446   6.822 -13.618
   81   2HB   CYS  12          3HB       CYS  12   7.880   8.350 -12.833
   82    H    HIS  13           H        HIS  13  10.397   8.961 -12.186
   83    HA   HIS  13           HA       HIS  13  10.879  11.458 -13.411
   84   1HB   HIS  13          2HB       HIS  13  11.124  10.693 -10.876
   85   2HB   HIS  13          3HB       HIS  13  12.787  10.483 -11.337
   86    HD1  HIS  13           HD1      HIS  13  14.153  12.735 -11.544
   87    HD2  HIS  13           HD2      HIS  13   9.979  13.120 -11.151
   88    HE1  HIS  13           HE1      HIS  13  13.698  15.230 -11.118
   89    HE2  HIS  13           HE2      HIS  13  11.120  15.459 -10.824
   90    H    LYS  14           H        LYS  14  12.912   8.658 -13.439
   91    HA   LYS  14           HA       LYS  14  15.230   9.795 -14.751
   92   1HB   LYS  14          2HB       LYS  14  14.346   7.204 -13.877
   93   2HB   LYS  14          3HB       LYS  14  14.895   7.015 -15.542
   94   1HG   LYS  14          2HG       LYS  14  17.079   7.650 -15.053
   95   2HG   LYS  14          3HG       LYS  14  16.596   8.619 -13.658
   96   1HD   LYS  14          2HD       LYS  14  15.794   6.084 -12.821
   97   2HD   LYS  14          3HD       LYS  14  17.192   5.711 -13.840
   98   1HE   LYS  14          2HE       LYS  14  17.974   7.979 -12.376
   99   2HE   LYS  14          3HE       LYS  14  16.931   7.142 -11.224
  100   1HZ   LYS  14          1HZ       LYS  14  18.335   5.278 -11.263
  101   2HZ   LYS  14          2HZ       LYS  14  19.060   5.709 -12.682
  102   3HZ   LYS  14          3HZ       LYS  14  19.406   6.526 -11.292
  103    H    GLU  15           H        GLU  15  12.808   7.734 -16.373
  104    HA   GLU  15           HA       GLU  15  13.455   8.702 -19.013
  105   1HB   GLU  15          2HB       GLU  15  12.190   6.576 -18.213
  106   2HB   GLU  15          3HB       GLU  15  10.755   7.603 -18.191
  107   1HG   GLU  15          2HG       GLU  15  10.745   7.904 -20.500
  108   2HG   GLU  15          3HG       GLU  15  12.483   7.664 -20.670
  109    H    CYS  16           H        CYS  16  11.498  10.124 -16.577
  110    HA   CYS  16           HA       CYS  16  10.167  11.993 -18.263
  111   1HB   CYS  16          2HB       CYS  16   9.399  11.397 -16.030
  112   2HB   CYS  16          3HB       CYS  16  10.739  12.281 -15.311
  113    H    SER  17           H        SER  17  12.794  12.543 -15.913
  114    HA   SER  17           HA       SER  17  13.570  15.200 -16.806
  115   1HB   SER  17          2HB       SER  17  14.379  13.406 -14.752
  116   2HB   SER  17          3HB       SER  17  15.797  13.676 -15.722
  117    HG   SER  17           HG       SER  17  14.197  15.861 -14.933
  118    H    ASP  18           H        ASP  18  14.396  11.993 -18.075
  119    HA   ASP  18           HA       ASP  18  16.496  12.546 -19.912
  120   1HB   ASP  18          2HB       ASP  18  15.768  10.308 -19.650
  121   2HB   ASP  18          3HB       ASP  18  14.090  10.754 -19.906
  122    H    LYS  19           H        LYS  19  12.952  13.323 -20.261
  123    HA   LYS  19           HA       LYS  19  13.209  14.352 -22.851
  124   1HB   LYS  19          2HB       LYS  19  11.199  14.347 -20.674
  125   2HB   LYS  19          3HB       LYS  19  11.207  15.847 -21.489
  126   1HG   LYS  19          2HG       LYS  19  11.324  13.519 -23.337
  127   2HG   LYS  19          3HG       LYS  19   9.982  13.396 -22.198
  128   1HD   LYS  19          2HD       LYS  19   8.960  15.348 -22.890
  129   2HD   LYS  19          3HD       LYS  19  10.430  16.028 -23.619
  130   1HE   LYS  19          2HE       LYS  19   9.393  13.418 -24.695
  131   2HE   LYS  19          3HE       LYS  19   8.483  14.890 -25.083
  132   1HZ   LYS  19          1HZ       LYS  19  11.344  14.343 -25.676
  133   2HZ   LYS  19          2HZ       LYS  19  10.149  14.627 -26.772
  134   3HZ   LYS  19          3HZ       LYS  19  10.702  15.842 -25.802
  135    H    GLY  20           H        GLY  20  14.785  15.525 -20.248
  136   1HA   GLY  20          2HA       GLY  20  16.128  17.295 -19.893
  137   2HA   GLY  20          3HA       GLY  20  15.706  17.967 -21.476
  138    H    ASN  21           H        ASN  21  13.269  17.188 -19.189
  139    HA   ASN  21           HA       ASN  21  12.335  19.977 -19.009
  140   1HB   ASN  21          2HB       ASN  21  11.139  17.311 -18.601
  141   2HB   ASN  21          3HB       ASN  21  10.617  18.512 -17.446
  142   1HD2  ASN  21          1HD2      ASN  21   9.354  17.184 -20.023
  143   2HD2  ASN  21          2HD2      ASN  21   8.680  18.696 -20.703
  144    H    GLY  22           H        GLY  22  11.466  20.609 -16.877
  145   1HA   GLY  22          2HA       GLY  22  13.680  20.780 -14.928
  146   2HA   GLY  22          3HA       GLY  22  12.075  21.498 -14.712
  147    H    PHE  23           H        PHE  23  13.839  19.836 -12.993
  148    HA   PHE  23           HA       PHE  23  12.912  17.267 -12.370
  149   1HB   PHE  23          2HB       PHE  23  14.772  18.606 -11.227
  150   2HB   PHE  23          3HB       PHE  23  13.548  19.405 -10.261
  151    HD1  PHE  23           HD1      PHE  23  11.780  17.462  -8.985
  152    HD2  PHE  23           HD2      PHE  23  15.948  16.967 -10.158
  153    HE1  PHE  23           HE1      PHE  23  12.046  15.592  -7.447
  154    HE2  PHE  23           HE2      PHE  23  16.116  15.059  -8.599
  155    HZ   PHE  23           HZ       PHE  23  14.105  14.332  -7.290
  156    H    THR  24           H        THR  24  11.637  20.181 -10.784
  157    HA   THR  24           HA       THR  24   9.466  19.159  -9.400
  158    HB   THR  24           HB       THR  24  10.127  21.839 -10.574
  159    HG1  THR  24           1HG      THR  24   9.457  22.198  -8.230
  160   1HG2  THR  24          1HG2      THR  24   7.842  22.052 -11.111
  161   2HG2  THR  24          2HG2      THR  24   7.295  21.249  -9.629
  162   3HG2  THR  24          3HG2      THR  24   8.023  22.871  -9.578
  163    H    PHE  25           H        PHE  25   9.229  20.576 -12.680
  164    HA   PHE  25           HA       PHE  25   6.524  19.856 -13.204
  165   1HB   PHE  25          2HB       PHE  25   7.711  21.367 -14.663
  166   2HB   PHE  25          3HB       PHE  25   8.951  20.162 -15.011
  167    HD1  PHE  25           HD1      PHE  25   8.640  18.416 -16.654
  168    HD2  PHE  25           HD2      PHE  25   5.306  20.926 -15.512
  169    HE1  PHE  25           HE1      PHE  25   7.357  17.586 -18.575
  170    HE2  PHE  25           HE2      PHE  25   4.046  20.131 -17.481
  171    HZ   PHE  25           HZ       PHE  25   5.087  18.500 -19.058
  172    H    CYS  26           H        CYS  26   9.553  17.962 -13.900
  173    HA   CYS  26           HA       CYS  26   8.173  15.737 -14.838
  174   1HB   CYS  26          2HB       CYS  26  10.925  16.436 -13.954
  175   2HB   CYS  26          3HB       CYS  26  10.532  14.783 -13.698
  176    H    GLU  27           H        GLU  27   8.838  16.692 -11.521
  177    HA   GLU  27           HA       GLU  27   8.094  14.194 -10.256
  178   1HB   GLU  27          2HB       GLU  27   9.014  16.897  -9.483
  179   2HB   GLU  27          3HB       GLU  27   7.678  16.341  -8.481
  180   1HG   GLU  27          2HG       GLU  27   9.177  14.101  -8.478
  181   2HG   GLU  27          3HG       GLU  27  10.418  15.246  -8.853
  182    H    MET  28           H        MET  28   6.424  17.307 -10.172
  183    HA   MET  28           HA       MET  28   3.862  16.491  -9.349
  184   1HB   MET  28          2HB       MET  28   5.030  18.808 -10.824
  185   2HB   MET  28          3HB       MET  28   3.354  18.506 -11.235
  186   1HG   MET  28          2HG       MET  28   4.250  18.709  -8.354
  187   2HG   MET  28          3HG       MET  28   3.751  20.090  -9.352
  188   1HE   MET  28          1HE       MET  28   1.752  20.093  -6.950
  189   2HE   MET  28          2HE       MET  28   1.843  21.032  -8.465
  190   3HE   MET  28          3HE       MET  28   0.320  20.246  -7.998
  191    H    LYS  29           H        LYS  29   5.268  16.159 -12.511
  192    HA   LYS  29           HA       LYS  29   2.772  15.132 -13.689
  193   1HB   LYS  29          2HB       LYS  29   4.630  16.447 -14.921
  194   2HB   LYS  29          3HB       LYS  29   5.514  14.936 -14.976
  195   1HG   LYS  29          2HG       LYS  29   2.607  15.331 -15.885
  196   2HG   LYS  29          3HG       LYS  29   3.980  15.546 -16.975
  197   1HD   LYS  29          2HD       LYS  29   4.622  13.102 -16.460
  198   2HD   LYS  29          3HD       LYS  29   3.083  12.993 -15.591
  199   1HE   LYS  29          2HE       LYS  29   2.207  12.285 -17.394
  200   2HE   LYS  29          3HE       LYS  29   2.081  14.012 -17.791
  201   1HZ   LYS  29          1HZ       LYS  29   3.533  13.643 -19.487
  202   2HZ   LYS  29          2HZ       LYS  29   4.618  12.899 -18.472
  203   3HZ   LYS  29          3HZ       LYS  29   3.442  12.014 -19.156
  204    H    CYS  30           H        CYS  30   5.960  13.624 -13.069
  205    HA   CYS  30           HA       CYS  30   5.347  10.905 -13.430
  206   1HB   CYS  30          2HB       CYS  30   7.154  12.260 -11.416
  207   2HB   CYS  30          3HB       CYS  30   7.121  10.515 -11.740
  208    H    ASP  31           H        ASP  31   4.611  12.922 -10.678
  209    HA   ASP  31           HA       ASP  31   3.589  11.073  -8.782
  210   1HB   ASP  31          2HB       ASP  31   4.041  13.752  -8.825
  211   2HB   ASP  31          3HB       ASP  31   2.350  13.823  -9.202
  212    H    THR  32           H        THR  32   1.756  13.059 -11.018
  213    HA   THR  32           HA       THR  32  -0.635  11.407 -10.709
  214    HB   THR  32           HB       THR  32   0.069  13.848 -12.291
  215    HG1  THR  32           1HG      THR  32  -1.349  14.685 -11.006
  216   1HG2  THR  32          1HG2      THR  32  -1.221  12.632 -13.990
  217   2HG2  THR  32          2HG2      THR  32  -2.493  12.277 -12.796
  218   3HG2  THR  32          3HG2      THR  32  -2.178  13.953 -13.306
  219    H    ASP  33           H        ASP  33   2.050  11.262 -12.931
  220    HA   ASP  33           HA       ASP  33   1.040   9.942 -15.202
  221   1HB   ASP  33          2HB       ASP  33   3.333  10.934 -14.993
  222   2HB   ASP  33          3HB       ASP  33   3.741   9.680 -13.836
  223    H    CYS  34           H        CYS  34   2.844   8.464 -12.548
  224    HA   CYS  34           HA       CYS  34   1.583   5.846 -13.115
  225   1HB   CYS  34          2HB       CYS  34   4.122   6.270 -12.751
  226   2HB   CYS  34          3HB       CYS  34   3.716   6.357 -11.036
  227    H    SER  35           H        SER  35  -0.489   6.370 -12.363
  228    HA   SER  35           HA       SER  35  -0.826   6.735  -9.382
  229   1HB   SER  35          2HB       SER  35  -2.541   7.803 -11.623
  230   2HB   SER  35          3HB       SER  35  -3.125   7.581  -9.956
  231    HG   SER  35           HG       SER  35  -1.429   9.461 -11.004
  232    H    VAL  36           H        VAL  36  -1.139   4.778  -8.599
  233    HA   VAL  36           HA       VAL  36  -2.506   2.747 -10.057
  234    HB   VAL  36           HB       VAL  36  -1.938   2.456  -7.143
  235   1HG1  VAL  36          1HG1      VAL  36  -1.093   0.128  -8.402
  236   2HG1  VAL  36          2HG1      VAL  36  -2.694   0.378  -7.734
  237   3HG1  VAL  36          3HG1      VAL  36  -2.396   0.636  -9.467
  238   1HG2  VAL  36          1HG2      VAL  36   0.184   2.742  -9.246
  239   2HG2  VAL  36          2HG2      VAL  36   0.121   3.286  -7.558
  240   3HG2  VAL  36          3HG2      VAL  36   0.433   1.594  -7.916
  241    H    LYS  37           H        LYS  37  -4.093   1.522  -8.241
  242    HA   LYS  37           HA       LYS  37  -6.139   3.419  -7.362
  243   1HB   LYS  37          2HB       LYS  37  -6.463   2.033  -9.870
  244   2HB   LYS  37          3HB       LYS  37  -7.502   1.205  -8.728
  245   1HG   LYS  37          2HG       LYS  37  -8.089   3.820  -8.095
  246   2HG   LYS  37          3HG       LYS  37  -7.586   4.030  -9.782
  247   1HD   LYS  37          2HD       LYS  37  -9.297   2.407 -10.501
  248   2HD   LYS  37          3HD       LYS  37  -9.638   1.999  -8.806
  249   1HE   LYS  37          2HE       LYS  37 -11.227   3.522  -8.782
  250   2HE   LYS  37          3HE       LYS  37  -9.943   4.726  -8.731
  251   1HZ   LYS  37          1HZ       LYS  37 -11.813   4.280 -10.783
  252   2HZ   LYS  37          2HZ       LYS  37 -10.656   5.452 -10.714
  253   3HZ   LYS  37          3HZ       LYS  37 -10.315   4.001 -11.402
  254    H    ASP  38           H        ASP  38  -8.079   1.658  -6.679
  255    HA   ASP  38           HA       ASP  38  -6.839   0.196  -4.397
  256   1HB   ASP  38          2HB       ASP  38  -8.849   2.184  -4.405
  257   2HB   ASP  38          3HB       ASP  38  -9.750   0.674  -4.325
  258    H    VAL  39           H        VAL  39  -7.323  -1.894  -4.180
  259    HA   VAL  39           HA       VAL  39  -8.944  -3.357  -6.217
  260    HB   VAL  39           HB       VAL  39  -6.564  -3.902  -6.154
  261   1HG1  VAL  39          1HG1      VAL  39  -6.960  -5.017  -3.357
  262   2HG1  VAL  39          2HG1      VAL  39  -5.518  -5.155  -4.376
  263   3HG1  VAL  39          3HG1      VAL  39  -6.029  -3.575  -3.798
  264   1HG2  VAL  39          1HG2      VAL  39  -7.589  -5.637  -7.135
  265   2HG2  VAL  39          2HG2      VAL  39  -7.135  -6.519  -5.667
  266   3HG2  VAL  39          3HG2      VAL  39  -8.767  -5.869  -5.839
  267    H    LYS  40           H        LYS  40 -10.352  -2.023  -4.452
  268    HA   LYS  40           HA       LYS  40 -11.052  -3.209  -2.053
  269   1HB   LYS  40          2HB       LYS  40 -12.955  -2.057  -4.131
  270   2HB   LYS  40          3HB       LYS  40 -13.453  -2.504  -2.503
  271   1HG   LYS  40          2HG       LYS  40 -11.167  -0.827  -2.146
  272   2HG   LYS  40          3HG       LYS  40 -12.100  -0.089  -3.451
  273   1HD   LYS  40          2HD       LYS  40 -13.027   0.905  -1.547
  274   2HD   LYS  40          3HD       LYS  40 -14.149  -0.440  -1.846
  275   1HE   LYS  40          2HE       LYS  40 -12.521  -1.794  -0.277
  276   2HE   LYS  40          3HE       LYS  40 -11.891  -0.221   0.200
  277   1HZ   LYS  40          1HZ       LYS  40 -13.956  -1.374   1.415
  278   2HZ   LYS  40          2HZ       LYS  40 -13.823   0.263   1.318
  279   3HZ   LYS  40          3HZ       LYS  40 -14.793  -0.549   0.268
  280    H    GLU  41           H        GLU  41 -12.410  -4.718  -1.263
  281    HA   GLU  41           HA       GLU  41 -12.541  -7.122  -2.917
  282   1HB   GLU  41          2HB       GLU  41 -12.599  -6.505  -0.005
  283   2HB   GLU  41          3HB       GLU  41 -13.682  -7.813  -0.481
  284   1HG   GLU  41          2HG       GLU  41 -11.765  -8.820  -1.809
  285   2HG   GLU  41          3HG       GLU  41 -10.697  -7.632  -1.044
  286    H    LYS  42           H        LYS  42 -14.605  -8.486  -2.227
  287    HA   LYS  42           HA       LYS  42 -16.996  -6.963  -3.204
  288   1HB   LYS  42          2HB       LYS  42 -16.108  -8.663  -4.779
  289   2HB   LYS  42          3HB       LYS  42 -16.363  -9.919  -3.555
  290   1HG   LYS  42          2HG       LYS  42 -18.668  -9.815  -3.699
  291   2HG   LYS  42          3HG       LYS  42 -18.697  -8.127  -4.178
  292   1HD   LYS  42          2HD       LYS  42 -17.408  -9.893  -6.221
  293   2HD   LYS  42          3HD       LYS  42 -19.077 -10.313  -5.842
  294   1HE   LYS  42          2HE       LYS  42 -19.576  -8.717  -7.393
  295   2HE   LYS  42          3HE       LYS  42 -19.453  -7.682  -5.976
  296   1HZ   LYS  42          1HZ       LYS  42 -18.016  -6.564  -7.328
  297   2HZ   LYS  42          2HZ       LYS  42 -16.916  -7.664  -6.810
  298   3HZ   LYS  42          3HZ       LYS  42 -17.658  -7.865  -8.260
  299    H    LEU  43           H        LEU  43 -17.280  -6.259  -1.119
  300    HA   LEU  43           HA       LEU  43 -17.691  -7.721   1.195
  301   1HB   LEU  43          2HB       LEU  43 -18.841  -5.879   2.059
  302   2HB   LEU  43          3HB       LEU  43 -17.806  -5.196   0.837
  303    HG   LEU  43           HG       LEU  43 -20.078  -5.592  -0.664
  304   1HD1  LEU  43          1HD1      LEU  43 -21.836  -4.501   1.253
  305   2HD1  LEU  43          2HD1      LEU  43 -21.855  -6.130   0.585
  306   3HD1  LEU  43          3HD1      LEU  43 -21.032  -5.810   2.100
  307   1HD2  LEU  43          1HD2      LEU  43 -20.640  -3.086   0.244
  308   2HD2  LEU  43          2HD2      LEU  43 -18.923  -3.254   0.645
  309   3HD2  LEU  43          3HD2      LEU  43 -19.504  -3.535  -1.015
  310    H    GLU  44           H        GLU  44 -19.448  -8.707   2.240
  311    HA   GLU  44           HA       GLU  44 -21.224 -10.161   0.377
  312   1HB   GLU  44          2HB       GLU  44 -21.450 -11.758   2.125
  313   2HB   GLU  44          3HB       GLU  44 -19.732 -11.354   2.005
  314   1HG   GLU  44          2HG       GLU  44 -20.278  -9.575   3.893
  315   2HG   GLU  44          3HG       GLU  44 -21.768 -10.501   4.105
  316    H    ASN  45           H        ASN  45 -23.391 -10.715   1.380
  317    HA   ASN  45           HA       ASN  45 -24.605  -8.900   3.154
  318   1HB   ASN  45          2HB       ASN  45 -24.302  -7.548   0.817
  319   2HB   ASN  45          3HB       ASN  45 -25.768  -8.440   0.405
  320   1HD2  ASN  45          1HD2      ASN  45 -27.750  -7.599   1.270
  321   2HD2  ASN  45          2HD2      ASN  45 -27.627  -6.269   2.459
  322    H    TYR  46           H        TYR  46 -26.724  -9.550   3.636
  323    HA   TYR  46           HA       TYR  46 -27.815 -11.861   2.112
  324   1HB   TYR  46          2HB       TYR  46 -26.337 -12.438   4.264
  325   2HB   TYR  46          3HB       TYR  46 -27.826 -12.024   5.111
  326    HD1  TYR  46           HD1      TYR  46 -26.824 -13.906   1.971
  327    HD2  TYR  46           HD2      TYR  46 -28.997 -13.989   5.712
  328    HE1  TYR  46           HE1      TYR  46 -27.558 -16.200   1.482
  329    HE2  TYR  46           HE2      TYR  46 -29.716 -16.321   5.222
  330    HH   TYR  46           HH       TYR  46 -28.846 -17.998   2.208
  331    H    LYS  47           H        LYS  47 -29.949 -12.504   3.222
  332    HA   LYS  47           HA       LYS  47 -31.436 -10.331   4.410
  333   1HB   LYS  47          2HB       LYS  47 -31.295 -10.115   1.662
  334   2HB   LYS  47          3HB       LYS  47 -32.815 -10.952   1.820
  335   1HG   LYS  47          2HG       LYS  47 -32.154  -8.507   3.544
  336   2HG   LYS  47          3HG       LYS  47 -32.633  -8.325   1.861
  337   1HD   LYS  47          2HD       LYS  47 -34.707  -9.757   2.419
  338   2HD   LYS  47          3HD       LYS  47 -34.236  -9.600   4.118
  339   1HE   LYS  47          2HE       LYS  47 -35.772  -7.862   3.777
  340   2HE   LYS  47          3HE       LYS  47 -34.195  -7.057   3.727
  341   1HZ   LYS  47          1HZ       LYS  47 -35.181  -8.021   1.174
  342   2HZ   LYS  47          2HZ       LYS  47 -36.085  -6.812   1.815
  343   3HZ   LYS  47          3HZ       LYS  47 -34.482  -6.577   1.516
  344    HA   PRO  48           HA       PRO  48 -32.849 -14.574   5.421
  345   1HB   PRO  48          2HB       PRO  48 -33.003 -14.154   8.169
  346   2HB   PRO  48          3HB       PRO  48 -31.601 -14.819   7.284
  347   1HG   PRO  48          2HG       PRO  48 -31.881 -12.135   8.503
  348   2HG   PRO  48          3HG       PRO  48 -30.411 -13.043   8.048
  349   1HD   PRO  48          2HD       PRO  48 -31.729 -10.942   6.606
  350   2HD   PRO  48          3HD       PRO  48 -30.273 -11.865   6.109
  351    H    LYS  49           H        LYS  49 -34.951 -15.108   6.037
  352    HA   LYS  49           HA       LYS  49 -37.111 -13.356   5.473
  353   1HB   LYS  49          2HB       LYS  49 -38.544 -15.065   6.230
  354   2HB   LYS  49          3HB       LYS  49 -37.185 -15.888   5.503
  355   1HG   LYS  49          2HG       LYS  49 -36.637 -16.977   7.444
  356   2HG   LYS  49          3HG       LYS  49 -36.698 -15.521   8.383
  357   1HD   LYS  49          2HD       LYS  49 -39.381 -15.876   8.005
  358   2HD   LYS  49          3HD       LYS  49 -38.831 -17.557   7.981
  359   1HE   LYS  49          2HE       LYS  49 -38.335 -17.506  10.234
  360   2HE   LYS  49          3HE       LYS  49 -37.610 -15.896  10.123
  361   1HZ   LYS  49          1HZ       LYS  49 -40.545 -16.315  10.215
  362   2HZ   LYS  49          2HZ       LYS  49 -39.596 -15.721  11.455
  363   3HZ   LYS  49          3HZ       LYS  49 -39.772 -14.915  10.110
  364    H    ASN  50           H        ASN  50 -38.805 -12.539   6.868
  365    HA   ASN  50           HA       ASN  50 -37.767 -11.269   9.349
  366   1HB   ASN  50          2HB       ASN  50 -38.797  -9.831   7.628
  367   2HB   ASN  50          3HB       ASN  50 -40.303 -10.748   7.724
  368   1HD2  ASN  50          1HD2      ASN  50 -38.060  -8.720   9.727
  369   2HD2  ASN  50          2HD2      ASN  50 -39.418  -8.310  10.790
  Start of MODEL   10
    1   1H    ASP   1           H1       ASP   1   0.627   0.679  -0.057
    2   2H    ASP   1           H2       ASP   1   1.918   0.090   0.795
    3   3H    ASP   1           H3       ASP   1   0.813  -0.960   0.108
    4    HA   ASP   1           HA       ASP   1   3.130   0.098  -1.028
    5   1HB   ASP   1          2HB       ASP   1   1.008  -1.318  -2.638
    6   2HB   ASP   1          3HB       ASP   1   2.776  -1.478  -2.707
    7    H    GLU   2           H        GLU   2   3.010   0.732  -3.493
    8    HA   GLU   2           HA       GLU   2   2.494   2.227  -5.080
    9   1HB   GLU   2          2HB       GLU   2  -0.121   1.402  -4.095
   10   2HB   GLU   2          3HB       GLU   2  -0.160   3.109  -4.473
   11   1HG   GLU   2          2HG       GLU   2  -0.704   2.213  -6.501
   12   2HG   GLU   2          3HG       GLU   2   1.041   2.412  -6.699
   13    H    ALA   3           H        ALA   3   0.757   3.387  -2.187
   14    HA   ALA   3           HA       ALA   3   1.119   6.136  -2.482
   15   1HB   ALA   3          1HB       ALA   3  -0.229   5.727  -0.674
   16   2HB   ALA   3          2HB       ALA   3   0.689   4.275  -0.172
   17   3HB   ALA   3          3HB       ALA   3   1.297   5.894   0.211
   18    H    GLN   4           H        GLN   4   3.316   3.876  -0.746
   19    HA   GLN   4           HA       GLN   4   5.328   5.609  -0.012
   20   1HB   GLN   4          2HB       GLN   4   5.174   2.722  -0.806
   21   2HB   GLN   4          3HB       GLN   4   6.758   3.428  -1.022
   22   1HG   GLN   4          2HG       GLN   4   5.626   4.243   1.565
   23   2HG   GLN   4          3HG       GLN   4   5.620   2.493   1.402
   24   1HE2  GLN   4          1HE2      GLN   4   7.369   4.845   2.720
   25   2HE2  GLN   4          2HE2      GLN   4   8.986   4.175   2.466
   26    H    PHE   5           H        PHE   5   4.551   4.662  -3.275
   27    HA   PHE   5           HA       PHE   5   6.911   5.977  -4.432
   28   1HB   PHE   5          2HB       PHE   5   5.858   3.732  -5.215
   29   2HB   PHE   5          3HB       PHE   5   4.505   4.693  -5.796
   30    HD1  PHE   5           HD1      PHE   5   7.930   3.752  -6.383
   31    HD2  PHE   5           HD2      PHE   5   4.719   6.377  -7.600
   32    HE1  PHE   5           HE1      PHE   5   9.027   4.154  -8.522
   33    HE2  PHE   5           HE2      PHE   5   5.887   6.785  -9.764
   34    HZ   PHE   5           HZ       PHE   5   8.080   5.744 -10.193
   35    H    LYS   6           H        LYS   6   3.355   6.280  -4.267
   36    HA   LYS   6           HA       LYS   6   3.131   8.581  -5.977
   37   1HB   LYS   6          2HB       LYS   6   1.254   7.078  -5.105
   38   2HB   LYS   6          3HB       LYS   6   1.360   7.976  -3.572
   39   1HG   LYS   6          2HG       LYS   6   0.804  10.069  -4.671
   40   2HG   LYS   6          3HG       LYS   6   0.949   9.328  -6.268
   41   1HD   LYS   6          2HD       LYS   6  -1.252   8.907  -6.211
   42   2HD   LYS   6          3HD       LYS   6  -0.931   7.697  -4.961
   43   1HE   LYS   6          2HE       LYS   6  -1.047   9.604  -3.254
   44   2HE   LYS   6          3HE       LYS   6  -1.646  10.637  -4.556
   45   1HZ   LYS   6          1HZ       LYS   6  -3.199   9.074  -3.008
   46   2HZ   LYS   6          2HZ       LYS   6  -3.638   9.620  -4.501
   47   3HZ   LYS   6          3HZ       LYS   6  -3.012   8.106  -4.330
   48    H    GLU   7           H        GLU   7   4.201   8.243  -2.678
   49    HA   GLU   7           HA       GLU   7   4.137  11.091  -2.184
   50   1HB   GLU   7          2HB       GLU   7   4.727   8.650  -0.617
   51   2HB   GLU   7          3HB       GLU   7   5.908   9.925  -0.337
   52   1HG   GLU   7          2HG       GLU   7   3.895  11.526  -0.041
   53   2HG   GLU   7          3HG       GLU   7   2.900  10.065   0.041
   54    H    CYS   8           H        CYS   8   6.470   8.732  -3.412
   55    HA   CYS   8           HA       CYS   8   8.720  10.589  -3.192
   56   1HB   CYS   8          2HB       CYS   8   8.545   7.865  -3.496
   57   2HB   CYS   8          3HB       CYS   8   8.700   8.358  -5.170
   58    H    TYR   9           H        TYR   9   6.469   9.483  -5.748
   59    HA   TYR   9           HA       TYR   9   7.554  11.046  -7.845
   60   1HB   TYR   9          2HB       TYR   9   5.753   9.138  -7.790
   61   2HB   TYR   9          3HB       TYR   9   4.600  10.388  -7.389
   62    HD1  TYR   9           HD1      TYR   9   4.268  12.353  -9.036
   63    HD2  TYR   9           HD2      TYR   9   6.463   8.768 -10.021
   64    HE1  TYR   9           HE1      TYR   9   3.926  12.783 -11.448
   65    HE2  TYR   9           HE2      TYR   9   6.035   9.193 -12.416
   66    HH   TYR   9           HH       TYR   9   4.734  10.331 -13.888
   67    H    ASP  10           H        ASP  10   4.823  11.776  -5.630
   68    HA   ASP  10           HA       ASP  10   4.290  14.373  -6.676
   69   1HB   ASP  10          2HB       ASP  10   2.975  12.824  -4.962
   70   2HB   ASP  10          3HB       ASP  10   3.885  13.687  -3.734
   71    H    THR  11           H        THR  11   6.116  13.336  -3.797
   72    HA   THR  11           HA       THR  11   7.039  15.895  -3.038
   73    HB   THR  11           HB       THR  11   8.268  13.180  -2.449
   74    HG1  THR  11           1HG      THR  11   6.348  13.117  -1.631
   75   1HG2  THR  11          1HG2      THR  11   8.920  15.895  -1.514
   76   2HG2  THR  11          2HG2      THR  11   8.558  14.741  -0.210
   77   3HG2  THR  11          3HG2      THR  11   9.837  14.364  -1.378
   78    H    CYS  12           H        CYS  12   8.582  13.342  -5.045
   79    HA   CYS  12           HA       CYS  12  11.036  14.660  -5.516
   80   1HB   CYS  12          2HB       CYS  12  10.631  12.299  -6.050
   81   2HB   CYS  12          3HB       CYS  12   9.558  12.759  -7.380
   82    H    HIS  13           H        HIS  13   7.870  14.772  -7.255
   83    HA   HIS  13           HA       HIS  13   8.565  16.569  -9.284
   84   1HB   HIS  13          2HB       HIS  13   6.274  15.356  -8.691
   85   2HB   HIS  13          3HB       HIS  13   5.950  16.888  -7.913
   86    HD1  HIS  13           HD1      HIS  13   5.186  18.774  -9.444
   87    HD2  HIS  13           HD2      HIS  13   6.873  15.436 -11.435
   88    HE1  HIS  13           HE1      HIS  13   4.764  19.130 -11.923
   89    HE2  HIS  13           HE2      HIS  13   5.781  17.047 -13.155
   90    H    LYS  14           H        LYS  14   7.681  17.268  -5.930
   91    HA   LYS  14           HA       LYS  14   7.657  20.088  -6.140
   92   1HB   LYS  14          2HB       LYS  14   7.368  18.240  -4.081
   93   2HB   LYS  14          3HB       LYS  14   8.897  18.978  -3.634
   94   1HG   LYS  14          2HG       LYS  14   6.637  20.797  -4.468
   95   2HG   LYS  14          3HG       LYS  14   6.505  19.974  -2.917
   96   1HD   LYS  14          2HD       LYS  14   8.533  20.927  -2.088
   97   2HD   LYS  14          3HD       LYS  14   9.026  21.527  -3.677
   98   1HE   LYS  14          2HE       LYS  14   6.463  22.438  -2.305
   99   2HE   LYS  14          3HE       LYS  14   8.025  23.233  -2.036
  100   1HZ   LYS  14          1HZ       LYS  14   8.158  23.466  -4.517
  101   2HZ   LYS  14          2HZ       LYS  14   6.594  22.981  -4.614
  102   3HZ   LYS  14          3HZ       LYS  14   6.973  24.379  -3.819
  103    H    GLU  15           H        GLU  15  10.480  18.180  -5.006
  104    HA   GLU  15           HA       GLU  15  12.328  20.377  -5.386
  105   1HB   GLU  15          2HB       GLU  15  12.681  18.431  -3.847
  106   2HB   GLU  15          3HB       GLU  15  12.876  17.380  -5.242
  107   1HG   GLU  15          2HG       GLU  15  14.560  19.859  -5.294
  108   2HG   GLU  15          3HG       GLU  15  14.889  18.806  -3.948
  109    H    CYS  16           H        CYS  16  10.796  18.280  -7.608
  110    HA   CYS  16           HA       CYS  16  12.839  18.368  -9.592
  111   1HB   CYS  16          2HB       CYS  16  11.038  16.611  -9.362
  112   2HB   CYS  16          3HB       CYS  16   9.932  17.767 -10.111
  113    H    SER  17           H        SER  17   9.520  19.762  -9.528
  114    HA   SER  17           HA       SER  17   9.694  21.571 -11.637
  115   1HB   SER  17          2HB       SER  17   7.845  21.018  -9.573
  116   2HB   SER  17          3HB       SER  17   8.265  22.714  -9.374
  117    HG   SER  17           HG       SER  17   7.664  21.742 -11.940
  118    H    ASP  18           H        ASP  18  11.189  21.752  -8.449
  119    HA   ASP  18           HA       ASP  18  11.793  24.508  -8.227
  120   1HB   ASP  18          2HB       ASP  18  12.374  23.127  -6.386
  121   2HB   ASP  18          3HB       ASP  18  13.161  21.984  -7.430
  122    H    LYS  19           H        LYS  19  13.186  21.991 -10.358
  123    HA   LYS  19           HA       LYS  19  15.412  23.482 -11.165
  124   1HB   LYS  19          2HB       LYS  19  14.072  20.960 -11.951
  125   2HB   LYS  19          3HB       LYS  19  14.558  21.807 -13.321
  126   1HG   LYS  19          2HG       LYS  19  16.624  21.809 -11.187
  127   2HG   LYS  19          3HG       LYS  19  16.075  20.185 -11.518
  128   1HD   LYS  19          2HD       LYS  19  17.072  20.115 -13.576
  129   2HD   LYS  19          3HD       LYS  19  16.555  21.755 -13.992
  130   1HE   LYS  19          2HE       LYS  19  18.362  22.327 -12.038
  131   2HE   LYS  19          3HE       LYS  19  19.084  20.853 -12.697
  132   1HZ   LYS  19          1HZ       LYS  19  19.119  21.887 -14.863
  133   2HZ   LYS  19          2HZ       LYS  19  18.191  23.153 -14.348
  134   3HZ   LYS  19          3HZ       LYS  19  19.733  23.009 -13.812
  135    H    GLY  20           H        GLY  20  12.222  24.144 -11.619
  136   1HA   GLY  20          2HA       GLY  20  11.217  25.955 -12.618
  137   2HA   GLY  20          3HA       GLY  20  12.731  26.323 -13.471
  138    H    ASN  21           H        ASN  21  11.800  23.047 -13.746
  139    HA   ASN  21           HA       ASN  21  11.223  23.357 -16.596
  140   1HB   ASN  21          2HB       ASN  21  11.077  20.801 -16.415
  141   2HB   ASN  21          3HB       ASN  21  12.652  21.501 -16.105
  142   1HD2  ASN  21          1HD2      ASN  21  13.366  19.789 -14.835
  143   2HD2  ASN  21          2HD2      ASN  21  12.629  19.523 -13.232
  144    H    GLY  22           H        GLY  22   9.454  21.624 -17.247
  145   1HA   GLY  22          2HA       GLY  22   6.918  22.673 -16.148
  146   2HA   GLY  22          3HA       GLY  22   7.103  21.652 -17.595
  147    H    PHE  23           H        PHE  23   5.207  21.324 -15.463
  148    HA   PHE  23           HA       PHE  23   5.931  19.312 -13.675
  149   1HB   PHE  23          2HB       PHE  23   3.422  18.883 -13.658
  150   2HB   PHE  23          3HB       PHE  23   3.846  20.575 -13.415
  151    HD1  PHE  23           HD1      PHE  23   2.351  18.098 -15.749
  152    HD2  PHE  23           HD2      PHE  23   3.390  22.246 -15.146
  153    HE1  PHE  23           HE1      PHE  23   1.009  18.710 -17.716
  154    HE2  PHE  23           HE2      PHE  23   2.007  22.866 -17.116
  155    HZ   PHE  23           HZ       PHE  23   0.816  21.100 -18.406
  156    H    THR  24           H        THR  24   4.437  19.034 -16.878
  157    HA   THR  24           HA       THR  24   4.172  16.293 -16.985
  158    HB   THR  24           HB       THR  24   4.315  18.513 -18.918
  159    HG1  THR  24           1HG      THR  24   2.395  17.681 -19.307
  160   1HG2  THR  24          1HG2      THR  24   5.056  15.709 -19.812
  161   2HG2  THR  24          2HG2      THR  24   4.309  16.894 -20.901
  162   3HG2  THR  24          3HG2      THR  24   5.890  17.235 -20.209
  163    H    PHE  25           H        PHE  25   6.940  18.086 -18.365
  164    HA   PHE  25           HA       PHE  25   8.572  15.907 -18.964
  165   1HB   PHE  25          2HB       PHE  25   9.154  18.146 -19.669
  166   2HB   PHE  25          3HB       PHE  25   9.125  18.742 -18.006
  167    HD1  PHE  25           HD1      PHE  25  11.031  18.648 -16.583
  168    HD2  PHE  25           HD2      PHE  25  11.025  16.513 -20.325
  169    HE1  PHE  25           HE1      PHE  25  13.478  18.272 -16.368
  170    HE2  PHE  25           HE2      PHE  25  13.465  16.113 -20.098
  171    HZ   PHE  25           HZ       PHE  25  14.697  17.003 -18.130
  172    H    CYS  26           H        CYS  26   8.314  17.704 -15.834
  173    HA   CYS  26           HA       CYS  26  10.280  16.157 -14.533
  174   1HB   CYS  26          2HB       CYS  26   8.337  18.232 -13.834
  175   2HB   CYS  26          3HB       CYS  26   8.455  17.024 -12.597
  176    H    GLU  27           H        GLU  27   6.799  15.681 -15.132
  177    HA   GLU  27           HA       GLU  27   6.311  13.639 -13.227
  178   1HB   GLU  27          2HB       GLU  27   4.930  14.951 -15.433
  179   2HB   GLU  27          3HB       GLU  27   4.725  13.232 -15.614
  180   1HG   GLU  27          2HG       GLU  27   3.415  13.089 -13.740
  181   2HG   GLU  27          3HG       GLU  27   4.348  14.324 -12.861
  182    H    MET  28           H        MET  28   7.047  13.436 -16.732
  183    HA   MET  28           HA       MET  28   7.444  10.573 -16.653
  184   1HB   MET  28          2HB       MET  28   7.854  12.827 -18.562
  185   2HB   MET  28          3HB       MET  28   8.976  11.491 -18.799
  186   1HG   MET  28          2HG       MET  28   7.332   9.974 -19.329
  187   2HG   MET  28          3HG       MET  28   6.067  10.827 -18.430
  188   1HE   MET  28          1HE       MET  28   5.269  10.485 -22.252
  189   2HE   MET  28          2HE       MET  28   5.334   9.634 -20.689
  190   3HE   MET  28          3HE       MET  28   4.172  10.963 -20.929
  191    H    LYS  29           H        LYS  29   9.310  13.035 -15.341
  192    HA   LYS  29           HA       LYS  29  11.841  11.541 -15.615
  193   1HB   LYS  29          2HB       LYS  29  11.610  14.101 -16.010
  194   2HB   LYS  29          3HB       LYS  29  11.525  14.239 -14.267
  195   1HG   LYS  29          2HG       LYS  29  13.712  12.467 -15.339
  196   2HG   LYS  29          3HG       LYS  29  13.812  14.136 -15.847
  197   1HD   LYS  29          2HD       LYS  29  13.222  14.033 -12.967
  198   2HD   LYS  29          3HD       LYS  29  14.556  12.963 -13.320
  199   1HE   LYS  29          2HE       LYS  29  14.736  15.557 -14.766
  200   2HE   LYS  29          3HE       LYS  29  14.616  15.759 -13.013
  201   1HZ   LYS  29          1HZ       LYS  29  16.378  13.776 -13.178
  202   2HZ   LYS  29          2HZ       LYS  29  16.786  14.597 -14.550
  203   3HZ   LYS  29          3HZ       LYS  29  16.805  15.348 -13.063
  204    H    CYS  30           H        CYS  30  10.150  13.189 -12.944
  205    HA   CYS  30           HA       CYS  30  11.294  12.018 -10.745
  206   1HB   CYS  30          2HB       CYS  30   8.470  12.913 -11.379
  207   2HB   CYS  30          3HB       CYS  30   8.892  12.294  -9.790
  208    H    ASP  31           H        ASP  31   8.965  10.673 -13.086
  209    HA   ASP  31           HA       ASP  31   8.147   8.374 -11.688
  210   1HB   ASP  31          2HB       ASP  31   7.530   9.407 -14.122
  211   2HB   ASP  31          3HB       ASP  31   8.721   8.301 -14.683
  212    H    THR  32           H        THR  32  10.728   8.729 -14.130
  213    HA   THR  32           HA       THR  32  11.846   6.091 -13.580
  214    HB   THR  32           HB       THR  32  12.562   8.452 -15.315
  215    HG1  THR  32           1HG      THR  32  11.192   6.847 -16.063
  216   1HG2  THR  32          1HG2      THR  32  14.549   7.157 -16.145
  217   2HG2  THR  32          2HG2      THR  32  14.769   7.850 -14.523
  218   3HG2  THR  32          3HG2      THR  32  14.401   6.117 -14.706
  219    H    ASP  33           H        ASP  33  12.336   9.305 -12.251
  220    HA   ASP  33           HA       ASP  33  14.883   9.014 -11.104
  221   1HB   ASP  33          2HB       ASP  33  13.710  11.165 -11.123
  222   2HB   ASP  33          3HB       ASP  33  12.436  10.492 -10.123
  223    H    CYS  34           H        CYS  34  11.840   8.840  -9.253
  224    HA   CYS  34           HA       CYS  34  13.166   7.027  -7.355
  225   1HB   CYS  34          2HB       CYS  34  11.709   9.117  -6.764
  226   2HB   CYS  34          3HB       CYS  34  10.332   8.071  -7.101
  227    H    SER  35           H        SER  35  13.253   5.118  -8.558
  228    HA   SER  35           HA       SER  35  10.983   3.412  -8.446
  229   1HB   SER  35          2HB       SER  35  10.749   5.015 -10.627
  230   2HB   SER  35          3HB       SER  35  11.700   3.731 -11.344
  231    HG   SER  35           HG       SER  35   9.166   3.806 -10.979
  232    H    VAL  36           H        VAL  36  11.568   1.311  -8.715
  233    HA   VAL  36           HA       VAL  36  14.375   0.804  -8.739
  234    HB   VAL  36           HB       VAL  36  12.347  -1.381  -8.721
  235   1HG1  VAL  36          1HG1      VAL  36  14.174  -2.560  -8.158
  236   2HG1  VAL  36          2HG1      VAL  36  15.173  -1.094  -8.055
  237   3HG1  VAL  36          3HG1      VAL  36  14.299  -1.659  -6.645
  238   1HG2  VAL  36          1HG2      VAL  36  12.398  -0.865  -6.054
  239   2HG2  VAL  36          2HG2      VAL  36  12.528   0.780  -6.646
  240   3HG2  VAL  36          3HG2      VAL  36  11.165  -0.246  -7.153
  241    H    LYS  37           H        LYS  37  14.658  -1.584  -9.977
  242    HA   LYS  37           HA       LYS  37  13.591  -1.446 -12.662
  243   1HB   LYS  37          2HB       LYS  37  15.763   0.178 -12.354
  244   2HB   LYS  37          3HB       LYS  37  16.614  -1.333 -12.612
  245   1HG   LYS  37          2HG       LYS  37  14.702  -1.465 -14.620
  246   2HG   LYS  37          3HG       LYS  37  14.863   0.287 -14.450
  247   1HD   LYS  37          2HD       LYS  37  17.234   0.186 -14.907
  248   2HD   LYS  37          3HD       LYS  37  17.262  -1.581 -14.786
  249   1HE   LYS  37          2HE       LYS  37  15.456  -0.244 -16.818
  250   2HE   LYS  37          3HE       LYS  37  17.188  -0.408 -17.148
  251   1HZ   LYS  37          1HZ       LYS  37  15.258  -2.601 -16.650
  252   2HZ   LYS  37          2HZ       LYS  37  16.181  -2.358 -17.992
  253   3HZ   LYS  37          3HZ       LYS  37  16.882  -2.840 -16.586
  254    H    ASP  38           H        ASP  38  16.030  -3.013 -13.554
  255    HA   ASP  38           HA       ASP  38  15.451  -5.544 -12.131
  256   1HB   ASP  38          2HB       ASP  38  14.784  -4.909 -14.850
  257   2HB   ASP  38          3HB       ASP  38  16.242  -5.870 -14.944
  258    H    VAL  39           H        VAL  39  17.209  -6.324 -11.237
  259    HA   VAL  39           HA       VAL  39  19.858  -5.722 -12.470
  260    HB   VAL  39           HB       VAL  39  19.319  -4.559 -10.318
  261   1HG1  VAL  39          1HG1      VAL  39  18.866  -5.614  -8.341
  262   2HG1  VAL  39          2HG1      VAL  39  18.381  -6.964  -9.377
  263   3HG1  VAL  39          3HG1      VAL  39  19.985  -6.951  -8.684
  264   1HG2  VAL  39          1HG2      VAL  39  21.704  -5.673 -11.301
  265   2HG2  VAL  39          2HG2      VAL  39  21.538  -4.379 -10.104
  266   3HG2  VAL  39          3HG2      VAL  39  21.731  -6.065  -9.592
  267    H    LYS  40           H        LYS  40  18.948  -7.684 -13.691
  268    HA   LYS  40           HA       LYS  40  18.683 -10.210 -12.619
  269   1HB   LYS  40          2HB       LYS  40  20.079  -9.414 -15.208
  270   2HB   LYS  40          3HB       LYS  40  19.655 -11.074 -14.769
  271   1HG   LYS  40          2HG       LYS  40  17.216  -9.996 -14.366
  272   2HG   LYS  40          3HG       LYS  40  17.841  -8.737 -15.437
  273   1HD   LYS  40          2HD       LYS  40  16.731 -10.315 -16.837
  274   2HD   LYS  40          3HD       LYS  40  18.463 -10.594 -17.073
  275   1HE   LYS  40          2HE       LYS  40  17.492 -12.197 -14.823
  276   2HE   LYS  40          3HE       LYS  40  16.411 -12.427 -16.194
  277   1HZ   LYS  40          1HZ       LYS  40  18.018 -13.951 -16.718
  278   2HZ   LYS  40          2HZ       LYS  40  18.747 -12.651 -17.414
  279   3HZ   LYS  40          3HZ       LYS  40  19.223 -13.167 -15.926
  280    H    GLU  41           H        GLU  41  19.827 -11.377 -11.267
  281    HA   GLU  41           HA       GLU  41  22.535 -10.659 -10.605
  282   1HB   GLU  41          2HB       GLU  41  20.689 -12.917  -9.739
  283   2HB   GLU  41          3HB       GLU  41  22.348 -12.751  -9.155
  284   1HG   GLU  41          2HG       GLU  41  20.810 -10.211  -9.003
  285   2HG   GLU  41          3HG       GLU  41  20.085 -11.509  -8.065
  286    H    LYS  42           H        LYS  42  24.149 -11.146 -11.886
  287    HA   LYS  42           HA       LYS  42  24.203 -12.886 -14.080
  288   1HB   LYS  42          2HB       LYS  42  25.960 -11.180 -13.620
  289   2HB   LYS  42          3HB       LYS  42  26.499 -12.130 -12.229
  290   1HG   LYS  42          2HG       LYS  42  26.707 -14.082 -14.101
  291   2HG   LYS  42          3HG       LYS  42  26.801 -12.710 -15.191
  292   1HD   LYS  42          2HD       LYS  42  28.813 -11.925 -14.143
  293   2HD   LYS  42          3HD       LYS  42  28.529 -12.890 -12.686
  294   1HE   LYS  42          2HE       LYS  42  29.977 -14.358 -13.558
  295   2HE   LYS  42          3HE       LYS  42  28.581 -14.914 -14.482
  296   1HZ   LYS  42          1HZ       LYS  42  30.486 -14.475 -15.920
  297   2HZ   LYS  42          2HZ       LYS  42  29.256 -13.446 -16.286
  298   3HZ   LYS  42          3HZ       LYS  42  30.552 -12.904 -15.416
  299    H    LEU  43           H        LEU  43  23.572 -14.962 -13.994
  300    HA   LEU  43           HA       LEU  43  25.081 -16.891 -12.559
  301   1HB   LEU  43          2HB       LEU  43  22.222 -16.170 -11.774
  302   2HB   LEU  43          3HB       LEU  43  22.760 -17.836 -11.640
  303    HG   LEU  43           HG       LEU  43  23.806 -15.425 -10.122
  304   1HD1  LEU  43          1HD1      LEU  43  21.740 -16.793  -9.425
  305   2HD1  LEU  43          2HD1      LEU  43  22.918 -18.048  -8.955
  306   3HD1  LEU  43          3HD1      LEU  43  22.990 -16.420  -8.236
  307   1HD2  LEU  43          1HD2      LEU  43  25.064 -18.189 -10.469
  308   2HD2  LEU  43          2HD2      LEU  43  25.851 -16.616 -10.604
  309   3HD2  LEU  43          3HD2      LEU  43  25.376 -17.182  -9.026
  310    H    GLU  44           H        GLU  44  25.155 -18.751 -13.605
  311    HA   GLU  44           HA       GLU  44  23.126 -19.420 -15.583
  312   1HB   GLU  44          2HB       GLU  44  25.964 -18.580 -16.284
  313   2HB   GLU  44          3HB       GLU  44  25.161 -19.839 -17.231
  314   1HG   GLU  44          2HG       GLU  44  23.168 -18.241 -17.462
  315   2HG   GLU  44          3HG       GLU  44  24.225 -16.976 -16.812
  316    H    ASN  45           H        ASN  45  23.851 -21.521 -16.667
  317    HA   ASN  45           HA       ASN  45  24.051 -23.545 -14.687
  318   1HB   ASN  45          2HB       ASN  45  24.334 -25.089 -16.589
  319   2HB   ASN  45          3HB       ASN  45  23.087 -23.916 -16.984
  320   1HD2  ASN  45          1HD2      ASN  45  23.593 -22.231 -18.531
  321   2HD2  ASN  45          2HD2      ASN  45  25.018 -22.389 -19.540
  322    H    TYR  46           H        TYR  46  25.824 -25.353 -15.228
  323    HA   TYR  46           HA       TYR  46  28.461 -24.039 -14.854
  324   1HB   TYR  46          2HB       TYR  46  27.093 -25.373 -12.923
  325   2HB   TYR  46          3HB       TYR  46  27.799 -26.751 -13.753
  326    HD1  TYR  46           HD1      TYR  46  29.423 -27.535 -12.251
  327    HD2  TYR  46           HD2      TYR  46  29.218 -23.294 -13.073
  328    HE1  TYR  46           HE1      TYR  46  31.495 -27.164 -10.927
  329    HE2  TYR  46           HE2      TYR  46  31.307 -22.946 -11.781
  330    HH   TYR  46           HH       TYR  46  32.961 -25.648 -10.150
  331    H    LYS  47           H        LYS  47  30.108 -26.058 -14.945
  332    HA   LYS  47           HA       LYS  47  29.691 -27.315 -17.641
  333   1HB   LYS  47          2HB       LYS  47  31.972 -27.039 -18.152
  334   2HB   LYS  47          3HB       LYS  47  31.269 -25.482 -17.745
  335   1HG   LYS  47          2HG       LYS  47  32.873 -25.141 -16.170
  336   2HG   LYS  47          3HG       LYS  47  32.253 -26.496 -15.261
  337   1HD   LYS  47          2HD       LYS  47  33.648 -27.949 -17.041
  338   2HD   LYS  47          3HD       LYS  47  34.510 -26.424 -17.255
  339   1HE   LYS  47          2HE       LYS  47  34.138 -26.928 -14.412
  340   2HE   LYS  47          3HE       LYS  47  34.675 -28.431 -15.163
  341   1HZ   LYS  47          1HZ       LYS  47  36.424 -26.950 -16.271
  342   2HZ   LYS  47          2HZ       LYS  47  36.045 -25.817 -15.144
  343   3HZ   LYS  47          3HZ       LYS  47  36.646 -27.276 -14.667
  344    HA   PRO  48           HA       PRO  48  30.180 -30.616 -14.514
  345   1HB   PRO  48          2HB       PRO  48  28.121 -32.234 -15.506
  346   2HB   PRO  48          3HB       PRO  48  27.974 -31.024 -14.194
  347   1HG   PRO  48          2HG       PRO  48  26.983 -30.858 -16.992
  348   2HG   PRO  48          3HG       PRO  48  26.479 -29.932 -15.541
  349   1HD   PRO  48          2HD       PRO  48  28.207 -29.067 -17.656
  350   2HD   PRO  48          3HD       PRO  48  27.768 -28.223 -16.145
  351    H    LYS  49           H        LYS  49  31.074 -32.653 -14.824
  352    HA   LYS  49           HA       LYS  49  32.716 -32.936 -17.128
  353   1HB   LYS  49          2HB       LYS  49  32.631 -34.155 -14.626
  354   2HB   LYS  49          3HB       LYS  49  31.964 -35.431 -15.630
  355   1HG   LYS  49          2HG       LYS  49  34.205 -34.448 -17.097
  356   2HG   LYS  49          3HG       LYS  49  34.732 -34.402 -15.422
  357   1HD   LYS  49          2HD       LYS  49  33.411 -36.858 -16.667
  358   2HD   LYS  49          3HD       LYS  49  35.137 -36.536 -16.821
  359   1HE   LYS  49          2HE       LYS  49  34.501 -36.150 -14.052
  360   2HE   LYS  49          3HE       LYS  49  33.627 -37.601 -14.549
  361   1HZ   LYS  49          1HZ       LYS  49  36.451 -37.227 -14.211
  362   2HZ   LYS  49          2HZ       LYS  49  35.591 -38.633 -14.302
  363   3HZ   LYS  49          3HZ       LYS  49  36.091 -37.887 -15.675
  364    H    ASN  50           H        ASN  50  32.642 -34.803 -18.655
  365    HA   ASN  50           HA       ASN  50  30.334 -34.759 -20.227
  366   1HB   ASN  50          2HB       ASN  50  32.954 -35.751 -20.472
  367   2HB   ASN  50          3HB       ASN  50  31.997 -37.203 -20.531
  368   1HD2  ASN  50          1HD2      ASN  50  33.551 -35.510 -22.524
  369   2HD2  ASN  50          2HD2      ASN  50  32.382 -35.395 -23.860
  Start of MODEL   11
    1   1H    ASP   1           H1       ASP   1   0.345  -0.190  -0.235
    2   2H    ASP   1           H2       ASP   1   1.391   0.923   0.415
    3   3H    ASP   1           H3       ASP   1   1.690  -0.684   0.637
    4    HA   ASP   1           HA       ASP   1   2.494   0.971  -1.419
    5   1HB   ASP   1          2HB       ASP   1   2.780  -2.050  -1.390
    6   2HB   ASP   1          3HB       ASP   1   3.916  -0.851  -2.034
    7    H    GLU   2           H        GLU   2   2.710  -0.614  -3.643
    8    HA   GLU   2           HA       GLU   2   0.251  -1.836  -4.488
    9   1HB   GLU   2          2HB       GLU   2  -0.035   0.179  -6.237
   10   2HB   GLU   2          3HB       GLU   2  -0.923   0.082  -4.744
   11   1HG   GLU   2          2HG       GLU   2   1.750   1.516  -4.653
   12   2HG   GLU   2          3HG       GLU   2   0.490   2.297  -5.570
   13    H    ALA   3           H        ALA   3   0.953  -3.187  -5.973
   14    HA   ALA   3           HA       ALA   3   2.371  -2.507  -8.326
   15   1HB   ALA   3          1HB       ALA   3   4.568  -3.758  -7.728
   16   2HB   ALA   3          2HB       ALA   3   4.392  -2.135  -7.072
   17   3HB   ALA   3          3HB       ALA   3   4.088  -3.534  -6.016
   18    H    GLN   4           H        GLN   4   3.509  -5.389  -6.727
   19    HA   GLN   4           HA       GLN   4   2.506  -7.179  -8.582
   20   1HB   GLN   4          2HB       GLN   4   3.131  -7.584  -5.620
   21   2HB   GLN   4          3HB       GLN   4   2.824  -8.900  -6.742
   22   1HG   GLN   4          2HG       GLN   4   4.884  -6.897  -7.627
   23   2HG   GLN   4          3HG       GLN   4   5.319  -7.864  -6.224
   24   1HE2  GLN   4          1HE2      GLN   4   6.196  -7.776  -9.166
   25   2HE2  GLN   4          2HE2      GLN   4   6.091  -9.478  -9.626
   26    H    PHE   5           H        PHE   5   0.839  -5.641  -6.004
   27    HA   PHE   5           HA       PHE   5  -1.504  -7.437  -6.108
   28   1HB   PHE   5          2HB       PHE   5  -0.482  -6.409  -3.967
   29   2HB   PHE   5          3HB       PHE   5  -1.022  -4.844  -4.559
   30    HD1  PHE   5           HD1      PHE   5  -2.009  -7.976  -2.995
   31    HD2  PHE   5           HD2      PHE   5  -3.513  -4.379  -4.861
   32    HE1  PHE   5           HE1      PHE   5  -4.228  -8.317  -1.936
   33    HE2  PHE   5           HE2      PHE   5  -5.748  -4.802  -3.845
   34    HZ   PHE   5           HZ       PHE   5  -6.107  -6.788  -2.431
   35    H    LYS   6           H        LYS   6  -0.547  -4.072  -6.872
   36    HA   LYS   6           HA       LYS   6  -3.171  -3.210  -7.687
   37   1HB   LYS   6          2HB       LYS   6  -1.005  -1.805  -7.111
   38   2HB   LYS   6          3HB       LYS   6  -0.588  -2.091  -8.809
   39   1HG   LYS   6          2HG       LYS   6  -2.946  -1.189  -9.365
   40   2HG   LYS   6          3HG       LYS   6  -3.062  -0.693  -7.671
   41   1HD   LYS   6          2HD       LYS   6  -1.408   0.958  -7.906
   42   2HD   LYS   6          3HD       LYS   6  -0.634   0.122  -9.267
   43   1HE   LYS   6          2HE       LYS   6  -2.841   0.601 -10.561
   44   2HE   LYS   6          3HE       LYS   6  -3.183   1.773  -9.281
   45   1HZ   LYS   6          1HZ       LYS   6  -1.542   2.108 -11.490
   46   2HZ   LYS   6          2HZ       LYS   6  -1.738   3.169 -10.242
   47   3HZ   LYS   6          3HZ       LYS   6  -0.526   2.059 -10.203
   48    H    GLU   7           H        GLU   7  -0.666  -5.107  -9.210
   49    HA   GLU   7           HA       GLU   7  -1.859  -4.862 -11.836
   50   1HB   GLU   7          2HB       GLU   7   0.614  -5.940 -10.703
   51   2HB   GLU   7          3HB       GLU   7  -0.149  -7.137 -11.748
   52   1HG   GLU   7          2HG       GLU   7  -0.337  -5.445 -13.561
   53   2HG   GLU   7          3HG       GLU   7   0.476  -4.258 -12.532
   54    H    CYS   8           H        CYS   8  -2.085  -7.031  -9.045
   55    HA   CYS   8           HA       CYS   8  -3.490  -9.102 -10.570
   56   1HB   CYS   8          2HB       CYS   8  -2.139  -9.080  -8.194
   57   2HB   CYS   8          3HB       CYS   8  -3.770  -8.832  -7.609
   58    H    TYR   9           H        TYR   9  -4.321  -6.404  -8.347
   59    HA   TYR   9           HA       TYR   9  -7.119  -6.842  -8.342
   60   1HB   TYR   9          2HB       TYR   9  -5.559  -5.275  -6.939
   61   2HB   TYR   9          3HB       TYR   9  -5.662  -4.148  -8.275
   62    HD1  TYR   9           HD1      TYR   9  -7.911  -3.137  -8.907
   63    HD2  TYR   9           HD2      TYR   9  -7.318  -5.553  -5.362
   64    HE1  TYR   9           HE1      TYR   9  -9.963  -2.204  -7.910
   65    HE2  TYR   9           HE2      TYR   9  -9.398  -4.561  -4.419
   66    HH   TYR   9           HH       TYR   9 -10.778  -2.055  -5.052
   67    H    ASP  10           H        ASP  10  -5.127  -4.643 -10.386
   68    HA   ASP  10           HA       ASP  10  -7.316  -3.688 -11.922
   69   1HB   ASP  10          2HB       ASP  10  -4.751  -2.942 -11.764
   70   2HB   ASP  10          3HB       ASP  10  -4.541  -4.029 -13.124
   71    H    THR  11           H        THR  11  -4.903  -6.243 -12.598
   72    HA   THR  11           HA       THR  11  -5.999  -7.077 -15.077
   73    HB   THR  11           HB       THR  11  -4.297  -8.626 -13.107
   74    HG1  THR  11           1HG      THR  11  -3.088  -7.020 -13.666
   75   1HG2  THR  11          1HG2      THR  11  -5.394  -9.441 -15.627
   76   2HG2  THR  11          2HG2      THR  11  -3.653  -9.160 -15.834
   77   3HG2  THR  11          3HG2      THR  11  -4.218 -10.281 -14.580
   78    H    CYS  12           H        CYS  12  -6.474  -8.315 -11.735
   79    HA   CYS  12           HA       CYS  12  -8.203 -10.448 -12.383
   80   1HB   CYS  12          2HB       CYS  12  -7.204 -10.191 -10.168
   81   2HB   CYS  12          3HB       CYS  12  -8.169  -8.736  -9.869
   82    H    HIS  13           H        HIS  13  -8.847  -6.964 -11.669
   83    HA   HIS  13           HA       HIS  13 -11.628  -7.007 -11.863
   84   1HB   HIS  13          2HB       HIS  13  -9.890  -5.031 -11.419
   85   2HB   HIS  13          3HB       HIS  13 -10.147  -4.758 -13.120
   86    HD1  HIS  13           HD1      HIS  13 -12.195  -3.360 -13.649
   87    HD2  HIS  13           HD2      HIS  13 -12.245  -5.086  -9.792
   88    HE1  HIS  13           HE1      HIS  13 -14.263  -2.448 -12.428
   89    HE2  HIS  13           HE2      HIS  13 -14.299  -3.495 -10.068
   90    H    LYS  14           H        LYS  14  -9.219  -6.929 -14.467
   91    HA   LYS  14           HA       LYS  14 -11.058  -6.598 -16.641
   92   1HB   LYS  14          2HB       LYS  14  -8.239  -7.217 -16.278
   93   2HB   LYS  14          3HB       LYS  14  -8.891  -8.311 -17.489
   94   1HG   LYS  14          2HG       LYS  14  -9.318  -6.617 -18.973
   95   2HG   LYS  14          3HG       LYS  14  -9.681  -5.423 -17.704
   96   1HD   LYS  14          2HD       LYS  14  -7.268  -5.372 -17.070
   97   2HD   LYS  14          3HD       LYS  14  -6.908  -6.427 -18.446
   98   1HE   LYS  14          2HE       LYS  14  -6.905  -4.673 -19.846
   99   2HE   LYS  14          3HE       LYS  14  -8.569  -4.283 -19.409
  100   1HZ   LYS  14          1HZ       LYS  14  -6.674  -3.487 -17.393
  101   2HZ   LYS  14          2HZ       LYS  14  -6.392  -2.745 -18.825
  102   3HZ   LYS  14          3HZ       LYS  14  -7.861  -2.602 -18.089
  103    H    GLU  15           H        GLU  15  -9.532  -9.732 -15.769
  104    HA   GLU  15           HA       GLU  15 -11.475 -11.271 -17.164
  105   1HB   GLU  15          2HB       GLU  15  -9.194 -12.020 -16.280
  106   2HB   GLU  15          3HB       GLU  15  -9.926 -12.122 -14.682
  107   1HG   GLU  15          2HG       GLU  15 -10.782 -14.155 -15.157
  108   2HG   GLU  15          3HG       GLU  15 -11.680 -13.510 -16.522
  109    H    CYS  16           H        CYS  16 -11.687  -9.634 -14.128
  110    HA   CYS  16           HA       CYS  16 -13.817 -11.181 -13.047
  111   1HB   CYS  16          2HB       CYS  16 -12.319  -9.800 -11.665
  112   2HB   CYS  16          3HB       CYS  16 -13.041  -8.339 -12.352
  113    H    SER  17           H        SER  17 -13.835  -7.747 -14.090
  114    HA   SER  17           HA       SER  17 -16.590  -7.434 -14.421
  115   1HB   SER  17          2HB       SER  17 -14.290  -5.867 -14.942
  116   2HB   SER  17          3HB       SER  17 -15.061  -6.050 -16.509
  117    HG   SER  17           HG       SER  17 -16.026  -4.847 -14.161
  118    H    ASP  18           H        ASP  18 -14.261  -9.122 -16.510
  119    HA   ASP  18           HA       ASP  18 -15.655  -9.265 -18.932
  120   1HB   ASP  18          2HB       ASP  18 -13.497 -10.219 -18.907
  121   2HB   ASP  18          3HB       ASP  18 -13.819 -11.080 -17.423
  122    H    LYS  19           H        LYS  19 -16.198 -11.004 -15.837
  123    HA   LYS  19           HA       LYS  19 -18.073 -12.827 -16.872
  124   1HB   LYS  19          2HB       LYS  19 -17.050 -12.013 -14.215
  125   2HB   LYS  19          3HB       LYS  19 -18.734 -12.243 -14.166
  126   1HG   LYS  19          2HG       LYS  19 -17.356 -14.392 -15.704
  127   2HG   LYS  19          3HG       LYS  19 -16.603 -14.136 -14.140
  128   1HD   LYS  19          2HD       LYS  19 -19.176 -14.142 -13.313
  129   2HD   LYS  19          3HD       LYS  19 -19.400 -15.054 -14.813
  130   1HE   LYS  19          2HE       LYS  19 -18.106 -16.841 -14.070
  131   2HE   LYS  19          3HE       LYS  19 -17.109 -15.833 -13.011
  132   1HZ   LYS  19          1HZ       LYS  19 -18.891 -17.343 -11.953
  133   2HZ   LYS  19          2HZ       LYS  19 -18.725 -15.803 -11.387
  134   3HZ   LYS  19          3HZ       LYS  19 -19.955 -16.168 -12.414
  135    H    GLY  20           H        GLY  20 -18.276  -9.541 -16.679
  136   1HA   GLY  20          2HA       GLY  20 -19.939  -8.104 -17.331
  137   2HA   GLY  20          3HA       GLY  20 -21.051  -9.487 -17.469
  138    H    ASN  21           H        ASN  21 -19.238  -9.027 -14.532
  139    HA   ASN  21           HA       ASN  21 -21.700  -8.696 -13.013
  140   1HB   ASN  21          2HB       ASN  21 -18.924  -9.487 -12.464
  141   2HB   ASN  21          3HB       ASN  21 -19.584  -8.453 -11.230
  142   1HD2  ASN  21          1HD2      ASN  21 -18.941 -11.374 -11.408
  143   2HD2  ASN  21          2HD2      ASN  21 -20.446 -12.109 -10.760
  144    H    GLY  22           H        GLY  22 -21.293  -7.125 -11.025
  145   1HA   GLY  22          2HA       GLY  22 -21.211  -4.420 -12.197
  146   2HA   GLY  22          3HA       GLY  22 -21.593  -4.833 -10.499
  147    H    PHE  23           H        PHE  23 -19.501  -3.123 -12.205
  148    HA   PHE  23           HA       PHE  23 -16.908  -3.653 -11.719
  149   1HB   PHE  23          2HB       PHE  23 -18.489  -1.337 -12.160
  150   2HB   PHE  23          3HB       PHE  23 -17.623  -0.943 -10.704
  151    HD1  PHE  23           HD1      PHE  23 -15.506  -0.010 -10.793
  152    HD2  PHE  23           HD2      PHE  23 -17.002  -2.341 -14.114
  153    HE1  PHE  23           HE1      PHE  23 -13.523   0.637 -12.139
  154    HE2  PHE  23           HE2      PHE  23 -15.012  -1.692 -15.463
  155    HZ   PHE  23           HZ       PHE  23 -13.273  -0.191 -14.470
  156    H    THR  24           H        THR  24 -18.738  -1.847  -9.234
  157    HA   THR  24           HA       THR  24 -16.999  -1.941  -7.142
  158    HB   THR  24           HB       THR  24 -19.952  -1.778  -7.446
  159    HG1  THR  24           1HG      THR  24 -19.343  -0.088  -5.854
  160   1HG2  THR  24          1HG2      THR  24 -20.309  -1.793  -4.943
  161   2HG2  THR  24          2HG2      THR  24 -20.066  -3.383  -5.628
  162   3HG2  THR  24          3HG2      THR  24 -18.714  -2.583  -4.788
  163    H    PHE  25           H        PHE  25 -19.524  -4.458  -7.666
  164    HA   PHE  25           HA       PHE  25 -18.679  -6.236  -5.682
  165   1HB   PHE  25          2HB       PHE  25 -20.776  -6.501  -6.923
  166   2HB   PHE  25          3HB       PHE  25 -19.919  -6.648  -8.438
  167    HD1  PHE  25           HD1      PHE  25 -19.032  -8.686  -9.258
  168    HD2  PHE  25           HD2      PHE  25 -20.482  -8.386  -5.224
  169    HE1  PHE  25           HE1      PHE  25 -18.930 -11.172  -9.023
  170    HE2  PHE  25           HE2      PHE  25 -20.405 -10.869  -5.013
  171    HZ   PHE  25           HZ       PHE  25 -19.656 -12.253  -6.939
  172    H    CYS  26           H        CYS  26 -17.533  -5.929  -9.074
  173    HA   CYS  26           HA       CYS  26 -15.808  -8.140  -8.971
  174   1HB   CYS  26          2HB       CYS  26 -16.419  -5.921 -10.802
  175   2HB   CYS  26          3HB       CYS  26 -14.693  -6.247 -10.737
  176    H    GLU  27           H        GLU  27 -15.499  -4.786  -7.911
  177    HA   GLU  27           HA       GLU  27 -12.646  -4.879  -7.478
  178   1HB   GLU  27          2HB       GLU  27 -14.836  -2.902  -7.270
  179   2HB   GLU  27          3HB       GLU  27 -13.851  -2.920  -5.809
  180   1HG   GLU  27          2HG       GLU  27 -11.915  -2.984  -7.685
  181   2HG   GLU  27          3HG       GLU  27 -13.123  -2.191  -8.624
  182    H    MET  28           H        MET  28 -15.326  -4.577  -5.107
  183    HA   MET  28           HA       MET  28 -13.911  -5.217  -2.824
  184   1HB   MET  28          2HB       MET  28 -16.753  -5.391  -3.727
  185   2HB   MET  28          3HB       MET  28 -16.351  -6.582  -2.502
  186   1HG   MET  28          2HG       MET  28 -15.247  -4.594  -1.228
  187   2HG   MET  28          3HG       MET  28 -16.242  -3.583  -2.287
  188   1HE   MET  28          1HE       MET  28 -17.916  -3.020   0.686
  189   2HE   MET  28          2HE       MET  28 -17.133  -4.381   1.531
  190   3HE   MET  28          3HE       MET  28 -16.182  -3.344   0.445
  191    H    LYS  29           H        LYS  29 -14.827  -7.375  -5.393
  192    HA   LYS  29           HA       LYS  29 -14.149  -9.764  -3.855
  193   1HB   LYS  29          2HB       LYS  29 -15.997  -9.562  -5.688
  194   2HB   LYS  29          3HB       LYS  29 -14.670  -9.724  -6.841
  195   1HG   LYS  29          2HG       LYS  29 -14.903 -11.635  -4.487
  196   2HG   LYS  29          3HG       LYS  29 -16.054 -11.797  -5.817
  197   1HD   LYS  29          2HD       LYS  29 -14.243 -12.088  -7.434
  198   2HD   LYS  29          3HD       LYS  29 -13.032 -11.750  -6.204
  199   1HE   LYS  29          2HE       LYS  29 -14.714 -13.848  -5.192
  200   2HE   LYS  29          3HE       LYS  29 -14.292 -14.255  -6.861
  201   1HZ   LYS  29          1HZ       LYS  29 -12.532 -14.010  -4.544
  202   2HZ   LYS  29          2HZ       LYS  29 -12.391 -15.015  -5.853
  203   3HZ   LYS  29          3HZ       LYS  29 -11.908 -13.482  -5.968
  204    H    CYS  30           H        CYS  30 -12.921  -8.328  -6.928
  205    HA   CYS  30           HA       CYS  30 -10.587  -9.791  -7.191
  206   1HB   CYS  30          2HB       CYS  30 -11.306  -6.934  -7.823
  207   2HB   CYS  30          3HB       CYS  30  -9.694  -7.525  -8.138
  208    H    ASP  31           H        ASP  31 -11.348  -7.218  -4.897
  209    HA   ASP  31           HA       ASP  31  -8.774  -6.605  -3.983
  210   1HB   ASP  31          2HB       ASP  31 -11.248  -5.598  -3.443
  211   2HB   ASP  31          3HB       ASP  31 -11.174  -6.691  -2.103
  212    H    THR  32           H        THR  32 -11.240  -8.731  -2.533
  213    HA   THR  32           HA       THR  32  -9.291  -9.961  -0.755
  214    HB   THR  32           HB       THR  32 -12.240 -10.182  -1.276
  215    HG1  THR  32           1HG      THR  32 -10.467 -10.082   0.918
  216   1HG2  THR  32          1HG2      THR  32 -10.688 -12.315   0.238
  217   2HG2  THR  32          2HG2      THR  32 -12.462 -12.122   0.222
  218   3HG2  THR  32          3HG2      THR  32 -11.610 -12.587  -1.261
  219    H    ASP  33           H        ASP  33 -10.280 -10.537  -3.998
  220    HA   ASP  33           HA       ASP  33  -9.883 -13.290  -4.298
  221   1HB   ASP  33          2HB       ASP  33 -10.829 -11.895  -6.102
  222   2HB   ASP  33          3HB       ASP  33  -9.318 -10.997  -6.196
  223    H    CYS  34           H        CYS  34  -7.576 -10.783  -5.386
  224    HA   CYS  34           HA       CYS  34  -5.376 -12.664  -5.100
  225   1HB   CYS  34          2HB       CYS  34  -5.472  -9.724  -5.882
  226   2HB   CYS  34          3HB       CYS  34  -4.001 -10.688  -5.794
  227    H    SER  35           H        SER  35  -5.512 -13.093  -2.852
  228    HA   SER  35           HA       SER  35  -3.964 -11.203  -1.255
  229   1HB   SER  35          2HB       SER  35  -6.756 -10.961  -1.109
  230   2HB   SER  35          3HB       SER  35  -6.374 -11.999   0.274
  231    HG   SER  35           HG       SER  35  -6.085  -9.411   0.060
  232    H    VAL  36           H        VAL  36  -2.735 -12.320   0.169
  233    HA   VAL  36           HA       VAL  36  -2.854 -15.169   0.142
  234    HB   VAL  36           HB       VAL  36  -1.004 -13.645   1.926
  235   1HG1  VAL  36          1HG1      VAL  36  -1.130 -16.331   0.681
  236   2HG1  VAL  36          2HG1      VAL  36   0.436 -15.559   0.476
  237   3HG1  VAL  36          3HG1      VAL  36  -0.218 -15.758   2.100
  238   1HG2  VAL  36          1HG2      VAL  36   0.528 -13.526  -0.249
  239   2HG2  VAL  36          2HG2      VAL  36  -1.027 -13.495  -1.086
  240   3HG2  VAL  36          3HG2      VAL  36  -0.634 -12.256   0.132
  241    H    LYS  37           H        LYS  37  -2.108 -15.926   2.632
  242    HA   LYS  37           HA       LYS  37  -4.106 -14.914   4.538
  243   1HB   LYS  37          2HB       LYS  37  -5.130 -17.064   4.939
  244   2HB   LYS  37          3HB       LYS  37  -5.283 -16.680   3.224
  245   1HG   LYS  37          2HG       LYS  37  -3.445 -18.184   2.631
  246   2HG   LYS  37          3HG       LYS  37  -3.048 -18.451   4.313
  247   1HD   LYS  37          2HD       LYS  37  -5.295 -19.457   4.708
  248   2HD   LYS  37          3HD       LYS  37  -5.611 -19.273   2.963
  249   1HE   LYS  37          2HE       LYS  37  -3.342 -20.574   2.685
  250   2HE   LYS  37          3HE       LYS  37  -3.557 -21.033   4.375
  251   1HZ   LYS  37          1HZ       LYS  37  -4.546 -22.556   2.592
  252   2HZ   LYS  37          2HZ       LYS  37  -5.558 -22.144   3.832
  253   3HZ   LYS  37          3HZ       LYS  37  -5.698 -21.407   2.373
  254    H    ASP  38           H        ASP  38  -3.727 -17.214   6.266
  255    HA   ASP  38           HA       ASP  38  -1.139 -16.407   7.401
  256   1HB   ASP  38          2HB       ASP  38  -3.620 -16.985   8.534
  257   2HB   ASP  38          3HB       ASP  38  -2.782 -18.522   8.724
  258    H    VAL  39           H        VAL  39   0.187 -18.172   8.339
  259    HA   VAL  39           HA       VAL  39   0.258 -20.591   6.559
  260    HB   VAL  39           HB       VAL  39   2.008 -18.837   6.156
  261   1HG1  VAL  39          1HG1      VAL  39   3.541 -18.158   7.713
  262   2HG1  VAL  39          2HG1      VAL  39   2.354 -18.730   8.877
  263   3HG1  VAL  39          3HG1      VAL  39   3.672 -19.789   8.427
  264   1HG2  VAL  39          1HG2      VAL  39   2.098 -21.641   6.069
  265   2HG2  VAL  39          2HG2      VAL  39   3.182 -20.508   5.240
  266   3HG2  VAL  39          3HG2      VAL  39   3.627 -21.205   6.809
  267    H    LYS  40           H        LYS  40  -1.307 -21.131   8.367
  268    HA   LYS  40           HA       LYS  40  -0.582 -21.570  10.984
  269   1HB   LYS  40          2HB       LYS  40  -2.599 -22.537   9.221
  270   2HB   LYS  40          3HB       LYS  40  -1.927 -23.984   9.961
  271   1HG   LYS  40          2HG       LYS  40  -2.582 -23.399  12.109
  272   2HG   LYS  40          3HG       LYS  40  -2.542 -21.664  11.802
  273   1HD   LYS  40          2HD       LYS  40  -4.699 -21.562  11.250
  274   2HD   LYS  40          3HD       LYS  40  -4.543 -22.870  10.076
  275   1HE   LYS  40          2HE       LYS  40  -4.460 -24.410  12.232
  276   2HE   LYS  40          3HE       LYS  40  -5.253 -23.028  13.005
  277   1HZ   LYS  40          1HZ       LYS  40  -6.837 -24.633  12.035
  278   2HZ   LYS  40          2HZ       LYS  40  -6.981 -23.153  11.319
  279   3HZ   LYS  40          3HZ       LYS  40  -6.199 -24.378  10.541
  280    H    GLU  41           H        GLU  41   0.144 -23.436  12.204
  281    HA   GLU  41           HA       GLU  41   2.725 -24.137  11.396
  282   1HB   GLU  41          2HB       GLU  41   0.971 -24.651  13.638
  283   2HB   GLU  41          3HB       GLU  41   1.627 -26.188  13.142
  284   1HG   GLU  41          2HG       GLU  41   3.521 -23.825  13.351
  285   2HG   GLU  41          3HG       GLU  41   2.908 -24.513  14.846
  286    H    LYS  42           H        LYS  42   3.577 -26.420  11.179
  287    HA   LYS  42           HA       LYS  42   1.995 -27.700   8.981
  288   1HB   LYS  42          2HB       LYS  42   4.262 -26.846   8.441
  289   2HB   LYS  42          3HB       LYS  42   4.952 -27.912   9.656
  290   1HG   LYS  42          2HG       LYS  42   3.078 -29.246   7.713
  291   2HG   LYS  42          3HG       LYS  42   4.498 -28.542   6.972
  292   1HD   LYS  42          2HD       LYS  42   5.316 -30.003   9.380
  293   2HD   LYS  42          3HD       LYS  42   4.273 -31.030   8.425
  294   1HE   LYS  42          2HE       LYS  42   6.318 -29.465   6.901
  295   2HE   LYS  42          3HE       LYS  42   6.994 -30.611   8.062
  296   1HZ   LYS  42          1HZ       LYS  42   4.863 -31.462   6.234
  297   2HZ   LYS  42          2HZ       LYS  42   6.435 -31.464   5.719
  298   3HZ   LYS  42          3HZ       LYS  42   5.967 -32.388   7.010
  299    H    LEU  43           H        LEU  43   0.570 -28.583  10.541
  300    HA   LEU  43           HA       LEU  43   1.121 -30.214  12.671
  301   1HB   LEU  43          2HB       LEU  43  -0.932 -31.334  12.320
  302   2HB   LEU  43          3HB       LEU  43  -1.173 -29.657  11.867
  303    HG   LEU  43           HG       LEU  43  -0.574 -31.814   9.781
  304   1HD1  LEU  43          1HD1      LEU  43  -2.702 -32.153  11.339
  305   2HD1  LEU  43          2HD1      LEU  43  -3.397 -30.968  10.219
  306   3HD1  LEU  43          3HD1      LEU  43  -2.698 -32.491   9.614
  307   1HD2  LEU  43          1HD2      LEU  43  -2.177 -29.945   8.577
  308   2HD2  LEU  43          2HD2      LEU  43  -1.305 -28.921   9.731
  309   3HD2  LEU  43          3HD2      LEU  43  -0.407 -29.906   8.565
  310    H    GLU  44           H        GLU  44   1.392 -32.510  13.010
  311    HA   GLU  44           HA       GLU  44   2.171 -34.149  10.790
  312   1HB   GLU  44          2HB       GLU  44   4.197 -32.455  11.735
  313   2HB   GLU  44          3HB       GLU  44   4.423 -33.862  12.734
  314   1HG   GLU  44          2HG       GLU  44   3.968 -34.367   9.784
  315   2HG   GLU  44          3HG       GLU  44   5.428 -33.498  10.164
  316    H    ASN  45           H        ASN  45   3.206 -36.277  11.727
  317    HA   ASN  45           HA       ASN  45   2.535 -36.942  14.402
  318   1HB   ASN  45          2HB       ASN  45   0.762 -38.652  13.728
  319   2HB   ASN  45          3HB       ASN  45   0.240 -36.976  13.622
  320   1HD2  ASN  45          1HD2      ASN  45  -1.431 -37.830  12.224
  321   2HD2  ASN  45          2HD2      ASN  45  -0.996 -38.097  10.511
  322    H    TYR  46           H        TYR  46   2.827 -39.329  14.734
  323    HA   TYR  46           HA       TYR  46   4.398 -40.650  12.606
  324   1HB   TYR  46          2HB       TYR  46   5.677 -39.152  14.531
  325   2HB   TYR  46          3HB       TYR  46   5.523 -40.666  15.388
  326    HD1  TYR  46           HD1      TYR  46   6.760 -39.089  12.225
  327    HD2  TYR  46           HD2      TYR  46   7.077 -42.441  14.915
  328    HE1  TYR  46           HE1      TYR  46   8.787 -39.884  11.023
  329    HE2  TYR  46           HE2      TYR  46   9.092 -43.249  13.691
  330    HH   TYR  46           HH       TYR  46  10.439 -41.391  10.989
  331    H    LYS  47           H        LYS  47   5.017 -42.876  13.337
  332    HA   LYS  47           HA       LYS  47   3.276 -44.017  15.401
  333   1HB   LYS  47          2HB       LYS  47   2.042 -43.900  13.090
  334   2HB   LYS  47          3HB       LYS  47   3.041 -45.274  12.647
  335   1HG   LYS  47          2HG       LYS  47   1.682 -45.371  15.351
  336   2HG   LYS  47          3HG       LYS  47   0.624 -45.434  13.953
  337   1HD   LYS  47          2HD       LYS  47   1.371 -47.467  13.245
  338   2HD   LYS  47          3HD       LYS  47   3.008 -47.258  13.841
  339   1HE   LYS  47          2HE       LYS  47   2.617 -48.117  15.870
  340   2HE   LYS  47          3HE       LYS  47   1.068 -47.292  16.043
  341   1HZ   LYS  47          1HZ       LYS  47   1.462 -49.958  15.377
  342   2HZ   LYS  47          2HZ       LYS  47   0.032 -49.148  15.474
  343   3HZ   LYS  47          3HZ       LYS  47   0.825 -49.225  14.039
  344    HA   PRO  48           HA       PRO  48   7.439 -45.884  15.036
  345   1HB   PRO  48          2HB       PRO  48   8.170 -45.484  17.703
  346   2HB   PRO  48          3HB       PRO  48   8.548 -44.394  16.338
  347   1HG   PRO  48          2HG       PRO  48   6.563 -44.028  18.520
  348   2HG   PRO  48          3HG       PRO  48   7.304 -42.810  17.438
  349   1HD   PRO  48          2HD       PRO  48   4.681 -43.973  17.257
  350   2HD   PRO  48          3HD       PRO  48   5.442 -42.834  16.141
  351    H    LYS  49           H        LYS  49   7.745 -47.992  15.344
  352    HA   LYS  49           HA       LYS  49   5.670 -49.661  16.305
  353   1HB   LYS  49          2HB       LYS  49   7.742 -50.204  14.779
  354   2HB   LYS  49          3HB       LYS  49   8.609 -50.468  16.284
  355   1HG   LYS  49          2HG       LYS  49   7.837 -52.610  16.014
  356   2HG   LYS  49          3HG       LYS  49   6.411 -51.992  16.827
  357   1HD   LYS  49          2HD       LYS  49   5.126 -51.894  14.923
  358   2HD   LYS  49          3HD       LYS  49   6.499 -51.692  13.825
  359   1HE   LYS  49          2HE       LYS  49   7.002 -53.916  13.705
  360   2HE   LYS  49          3HE       LYS  49   6.441 -54.257  15.344
  361   1HZ   LYS  49          1HZ       LYS  49   4.765 -53.869  12.939
  362   2HZ   LYS  49          2HZ       LYS  49   4.877 -55.215  13.880
  363   3HZ   LYS  49          3HZ       LYS  49   4.147 -53.871  14.471
  364    H    ASN  50           H        ASN  50   5.407 -50.826  18.207
  365    HA   ASN  50           HA       ASN  50   5.769 -49.508  20.637
  366   1HB   ASN  50          2HB       ASN  50   4.197 -51.427  20.335
  367   2HB   ASN  50          3HB       ASN  50   5.600 -52.500  20.103
  368   1HD2  ASN  50          1HD2      ASN  50   5.678 -53.767  21.834
  369   2HD2  ASN  50          2HD2      ASN  50   5.622 -53.151  23.492
  Start of MODEL   12
    1   1H    ASP   1           H1       ASP   1   0.907   0.878   0.123
    2   2H    ASP   1           H2       ASP   1   1.992  -0.177   0.780
    3   3H    ASP   1           H3       ASP   1   0.649  -0.759   0.018
    4    HA   ASP   1           HA       ASP   1   3.138  -0.193  -1.091
    5   1HB   ASP   1          2HB       ASP   1   0.478  -1.184  -2.158
    6   2HB   ASP   1          3HB       ASP   1   1.856  -0.890  -3.238
    7    H    GLU   2           H        GLU   2  -0.124   1.109  -1.860
    8    HA   GLU   2           HA       GLU   2  -0.785   3.035  -2.799
    9   1HB   GLU   2          2HB       GLU   2   1.634   4.571  -2.390
   10   2HB   GLU   2          3HB       GLU   2  -0.024   4.849  -1.826
   11   1HG   GLU   2          2HG       GLU   2   0.545   3.026  -0.041
   12   2HG   GLU   2          3HG       GLU   2   2.234   3.360  -0.481
   13    H    ALA   3           H        ALA   3  -1.062   2.946  -4.928
   14    HA   ALA   3           HA       ALA   3   1.250   3.569  -6.704
   15   1HB   ALA   3          1HB       ALA   3  -0.122   0.866  -6.556
   16   2HB   ALA   3          2HB       ALA   3   0.518   1.460  -8.114
   17   3HB   ALA   3          3HB       ALA   3   1.609   1.258  -6.740
   18    H    GLN   4           H        GLN   4  -1.488   1.931  -8.009
   19    HA   GLN   4           HA       GLN   4  -2.274   3.998  -9.680
   20   1HB   GLN   4          2HB       GLN   4  -3.762   1.600  -8.526
   21   2HB   GLN   4          3HB       GLN   4  -4.581   2.752  -9.585
   22   1HG   GLN   4          2HG       GLN   4  -2.546   2.404 -11.191
   23   2HG   GLN   4          3HG       GLN   4  -2.253   0.931 -10.256
   24   1HE2  GLN   4          1HE2      GLN   4  -3.793   2.169 -12.934
   25   2HE2  GLN   4          2HE2      GLN   4  -5.039   0.917 -13.101
   26    H    PHE   5           H        PHE   5  -2.934   3.693  -6.352
   27    HA   PHE   5           HA       PHE   5  -5.050   5.777  -6.278
   28   1HB   PHE   5          2HB       PHE   5  -5.023   3.590  -4.870
   29   2HB   PHE   5          3HB       PHE   5  -3.624   4.255  -4.032
   30    HD1  PHE   5           HD1      PHE   5  -7.245   4.479  -4.546
   31    HD2  PHE   5           HD2      PHE   5  -3.856   6.310  -2.575
   32    HE1  PHE   5           HE1      PHE   5  -8.760   5.662  -2.987
   33    HE2  PHE   5           HE2      PHE   5  -5.413   7.541  -1.074
   34    HZ   PHE   5           HZ       PHE   5  -7.857   7.247  -1.317
   35    H    LYS   6           H        LYS   6  -1.657   5.177  -5.219
   36    HA   LYS   6           HA       LYS   6  -1.366   7.717  -3.875
   37   1HB   LYS   6          2HB       LYS   6   0.091   5.529  -3.871
   38   2HB   LYS   6          3HB       LYS   6   0.965   6.260  -5.180
   39   1HG   LYS   6          2HG       LYS   6   0.422   7.927  -2.678
   40   2HG   LYS   6          3HG       LYS   6   1.625   6.666  -2.566
   41   1HD   LYS   6          2HD       LYS   6   2.645   7.671  -4.741
   42   2HD   LYS   6          3HD       LYS   6   1.663   9.090  -4.352
   43   1HE   LYS   6          2HE       LYS   6   3.340   9.755  -3.053
   44   2HE   LYS   6          3HE       LYS   6   2.808   8.520  -1.895
   45   1HZ   LYS   6          1HZ       LYS   6   4.512   7.589  -4.041
   46   2HZ   LYS   6          2HZ       LYS   6   5.253   8.575  -2.956
   47   3HZ   LYS   6          3HZ       LYS   6   4.523   7.173  -2.451
   48    H    GLU   7           H        GLU   7  -1.230   6.714  -7.201
   49    HA   GLU   7           HA       GLU   7  -0.060   9.219  -8.085
   50   1HB   GLU   7          2HB       GLU   7  -0.963   6.671  -9.332
   51   2HB   GLU   7          3HB       GLU   7  -1.256   8.094 -10.322
   52   1HG   GLU   7          2HG       GLU   7   0.956   8.576 -10.637
   53   2HG   GLU   7          3HG       GLU   7   1.456   7.970  -9.059
   54    H    CYS   8           H        CYS   8  -3.318   7.934  -7.576
   55    HA   CYS   8           HA       CYS   8  -4.586  10.162  -9.010
   56   1HB   CYS   8          2HB       CYS   8  -5.412   7.668  -8.230
   57   2HB   CYS   8          3HB       CYS   8  -6.011   8.621  -6.891
   58    H    TYR   9           H        TYR   9  -3.880   9.279  -5.594
   59    HA   TYR   9           HA       TYR   9  -5.034  11.589  -4.433
   60   1HB   TYR   9          2HB       TYR   9  -4.077   9.365  -3.423
   61   2HB   TYR   9          3HB       TYR   9  -2.507  10.134  -3.499
   62    HD1  TYR   9           HD1      TYR   9  -2.157  12.364  -2.220
   63    HD2  TYR   9           HD2      TYR   9  -5.558   9.748  -1.643
   64    HE1  TYR   9           HE1      TYR   9  -2.557  13.356   0.005
   65    HE2  TYR   9           HE2      TYR   9  -5.887  10.752   0.611
   66    HH   TYR   9           HH       TYR   9  -4.142  12.033   2.362
   67    H    ASP  10           H        ASP  10  -1.625  10.985  -5.379
   68    HA   ASP  10           HA       ASP  10  -0.678  13.569  -4.653
   69   1HB   ASP  10          2HB       ASP  10   0.592  11.338  -5.368
   70   2HB   ASP  10          3HB       ASP  10   0.485  11.997  -6.994
   71    H    THR  11           H        THR  11  -1.609  12.242  -7.804
   72    HA   THR  11           HA       THR  11  -1.288  14.630  -9.313
   73    HB   THR  11           HB       THR  11  -3.073  12.247  -9.907
   74    HG1  THR  11           1HG      THR  11  -1.109  11.513  -9.801
   75   1HG2  THR  11          1HG2      THR  11  -1.778  14.209 -11.803
   76   2HG2  THR  11          2HG2      THR  11  -2.773  12.788 -12.219
   77   3HG2  THR  11          3HG2      THR  11  -3.528  14.177 -11.404
   78    H    CYS  12           H        CYS  12  -4.197  13.196  -7.742
   79    HA   CYS  12           HA       CYS  12  -6.077  15.144  -8.553
   80   1HB   CYS  12          2HB       CYS  12  -6.718  13.014  -7.510
   81   2HB   CYS  12          3HB       CYS  12  -6.025  13.540  -5.965
   82    H    HIS  13           H        HIS  13  -3.877  14.963  -5.689
   83    HA   HIS  13           HA       HIS  13  -4.591  17.363  -4.457
   84   1HB   HIS  13          2HB       HIS  13  -2.775  15.530  -3.831
   85   2HB   HIS  13          3HB       HIS  13  -1.710  16.656  -4.651
   86    HD1  HIS  13           HD1      HIS  13  -1.001  18.731  -3.305
   87    HD2  HIS  13           HD2      HIS  13  -4.177  16.479  -1.629
   88    HE1  HIS  13           HE1      HIS  13  -1.354  19.632  -0.969
   89    HE2  HIS  13           HE2      HIS  13  -3.312  18.220   0.087
   90    H    LYS  14           H        LYS  14  -2.422  16.886  -7.201
   91    HA   LYS  14           HA       LYS  14  -1.532  19.571  -7.470
   92   1HB   LYS  14          2HB       LYS  14  -1.097  17.234  -8.830
   93   2HB   LYS  14          3HB       LYS  14  -2.121  18.049 -10.004
   94   1HG   LYS  14          2HG       LYS  14  -0.623  19.738 -10.405
   95   2HG   LYS  14          3HG       LYS  14   0.110  19.674  -8.787
   96   1HD   LYS  14          2HD       LYS  14   1.347  17.717  -9.248
   97   2HD   LYS  14          3HD       LYS  14   0.403  17.360 -10.709
   98   1HE   LYS  14          2HE       LYS  14   1.333  19.839 -11.357
   99   2HE   LYS  14          3HE       LYS  14   2.634  19.325 -10.274
  100   1HZ   LYS  14          1HZ       LYS  14   2.623  17.200 -11.683
  101   2HZ   LYS  14          2HZ       LYS  14   1.709  18.029 -12.766
  102   3HZ   LYS  14          3HZ       LYS  14   3.234  18.546 -12.410
  103    H    GLU  15           H        GLU  15  -4.239  18.138  -9.350
  104    HA   GLU  15           HA       GLU  15  -5.282  20.725 -10.136
  105   1HB   GLU  15          2HB       GLU  15  -5.657  18.405 -11.241
  106   2HB   GLU  15          3HB       GLU  15  -6.865  18.143  -9.974
  107   1HG   GLU  15          2HG       GLU  15  -7.991  20.307 -10.725
  108   2HG   GLU  15          3HG       GLU  15  -6.791  20.427 -12.005
  109    H    CYS  16           H        CYS  16  -5.380  19.044  -7.170
  110    HA   CYS  16           HA       CYS  16  -7.864  20.133  -6.248
  111   1HB   CYS  16          2HB       CYS  16  -6.763  18.006  -5.435
  112   2HB   CYS  16          3HB       CYS  16  -5.690  19.041  -4.477
  113    H    SER  17           H        SER  17  -4.465  20.644  -5.164
  114    HA   SER  17           HA       SER  17  -4.768  22.959  -3.635
  115   1HB   SER  17          2HB       SER  17  -2.603  21.446  -4.601
  116   2HB   SER  17          3HB       SER  17  -2.361  23.052  -5.282
  117    HG   SER  17           HG       SER  17  -2.387  23.915  -3.231
  118    H    ASP  18           H        ASP  18  -4.889  22.595  -7.149
  119    HA   ASP  18           HA       ASP  18  -4.486  25.241  -8.063
  120   1HB   ASP  18          2HB       ASP  18  -4.781  23.564  -9.712
  121   2HB   ASP  18          3HB       ASP  18  -6.216  22.949  -8.915
  122    H    LYS  19           H        LYS  19  -7.272  23.802  -6.329
  123    HA   LYS  19           HA       LYS  19  -9.034  25.951  -6.777
  124   1HB   LYS  19          2HB       LYS  19  -8.943  23.510  -5.099
  125   2HB   LYS  19          3HB       LYS  19  -9.592  24.802  -4.232
  126   1HG   LYS  19          2HG       LYS  19 -10.672  24.647  -7.002
  127   2HG   LYS  19          3HG       LYS  19 -10.778  23.100  -6.176
  128   1HD   LYS  19          2HD       LYS  19 -11.757  24.566  -4.172
  129   2HD   LYS  19          3HD       LYS  19 -12.008  25.770  -5.443
  130   1HE   LYS  19          2HE       LYS  19 -13.936  24.691  -5.957
  131   2HE   LYS  19          3HE       LYS  19 -12.926  23.380  -6.593
  132   1HZ   LYS  19          1HZ       LYS  19 -14.306  22.396  -4.994
  133   2HZ   LYS  19          2HZ       LYS  19 -12.853  22.564  -4.235
  134   3HZ   LYS  19          3HZ       LYS  19 -14.082  23.613  -3.892
  135    H    GLY  20           H        GLY  20  -6.176  25.941  -5.152
  136   1HA   GLY  20          2HA       GLY  20  -5.055  27.667  -4.110
  137   2HA   GLY  20          3HA       GLY  20  -6.564  28.603  -4.038
  138    H    ASN  21           H        ASN  21  -6.901  25.409  -2.881
  139    HA   ASN  21           HA       ASN  21  -7.304  26.337  -0.131
  140   1HB   ASN  21          2HB       ASN  21  -7.944  23.874   0.167
  141   2HB   ASN  21          3HB       ASN  21  -8.991  24.817  -0.880
  142   1HD2  ASN  21          1HD2      ASN  21  -9.728  23.035  -2.036
  143   2HD2  ASN  21          2HD2      ASN  21  -8.580  22.173  -3.116
  144    H    GLY  22           H        GLY  22  -6.540  24.495   1.449
  145   1HA   GLY  22          2HA       GLY  22  -3.579  24.574   1.365
  146   2HA   GLY  22          3HA       GLY  22  -4.585  24.069   2.747
  147    H    PHE  23           H        PHE  23  -2.283  22.741   1.657
  148    HA   PHE  23           HA       PHE  23  -2.941  20.531   0.107
  149   1HB   PHE  23          2HB       PHE  23  -0.881  19.532   1.217
  150   2HB   PHE  23          3HB       PHE  23  -0.607  21.137   0.543
  151    HD1  PHE  23           HD1      PHE  23  -0.279  23.075   2.009
  152    HD2  PHE  23           HD2      PHE  23  -0.922  19.141   3.671
  153    HE1  PHE  23           HE1      PHE  23   0.433  23.884   4.247
  154    HE2  PHE  23           HE2      PHE  23  -0.258  19.946   5.880
  155    HZ   PHE  23           HZ       PHE  23   0.448  22.322   6.189
  156    H    THR  24           H        THR  24  -2.848  20.802   3.637
  157    HA   THR  24           HA       THR  24  -3.566  18.223   4.283
  158    HB   THR  24           HB       THR  24  -3.661  20.861   5.599
  159    HG1  THR  24           1HG      THR  24  -2.544  19.676   7.067
  160   1HG2  THR  24          1HG2      THR  24  -4.859  19.888   7.644
  161   2HG2  THR  24          2HG2      THR  24  -5.898  20.383   6.315
  162   3HG2  THR  24          3HG2      THR  24  -5.517  18.654   6.548
  163    H    PHE  25           H        PHE  25  -5.894  20.922   4.090
  164    HA   PHE  25           HA       PHE  25  -8.254  19.448   4.288
  165   1HB   PHE  25          2HB       PHE  25  -8.287  21.859   4.324
  166   2HB   PHE  25          3HB       PHE  25  -7.473  21.955   2.759
  167    HD1  PHE  25           HD1      PHE  25  -8.657  21.907   0.690
  168    HD2  PHE  25           HD2      PHE  25 -10.694  20.973   4.371
  169    HE1  PHE  25           HE1      PHE  25 -10.834  22.073  -0.480
  170    HE2  PHE  25           HE2      PHE  25 -12.875  21.117   3.201
  171    HZ   PHE  25           HZ       PHE  25 -12.953  21.685   0.776
  172    H    CYS  26           H        CYS  26  -6.330  20.173   1.316
  173    HA   CYS  26           HA       CYS  26  -8.101  18.834  -0.429
  174   1HB   CYS  26          2HB       CYS  26  -5.471  20.127  -0.567
  175   2HB   CYS  26          3HB       CYS  26  -5.525  18.678  -1.525
  176    H    GLU  27           H        GLU  27  -5.406  17.744   1.638
  177    HA   GLU  27           HA       GLU  27  -4.989  15.172   0.476
  178   1HB   GLU  27          2HB       GLU  27  -4.134  16.711   2.805
  179   2HB   GLU  27          3HB       GLU  27  -4.544  15.102   3.328
  180   1HG   GLU  27          2HG       GLU  27  -2.790  14.157   2.198
  181   2HG   GLU  27          3HG       GLU  27  -2.895  15.310   0.843
  182    H    MET  28           H        MET  28  -6.923  16.197   3.309
  183    HA   MET  28           HA       MET  28  -8.194  13.603   3.576
  184   1HB   MET  28          2HB       MET  28  -8.762  16.409   4.592
  185   2HB   MET  28          3HB       MET  28  -9.969  15.134   4.806
  186   1HG   MET  28          2HG       MET  28  -8.075  13.708   5.804
  187   2HG   MET  28          3HG       MET  28  -7.154  15.217   5.875
  188   1HE   MET  28          1HE       MET  28  -7.647  16.677   8.672
  189   2HE   MET  28          2HE       MET  28  -7.713  15.045   9.391
  190   3HE   MET  28          3HE       MET  28  -6.695  15.349   7.966
  191    H    LYS  29           H        LYS  29  -8.543  15.892   1.158
  192    HA   LYS  29           HA       LYS  29 -11.365  15.185   0.598
  193   1HB   LYS  29          2HB       LYS  29 -10.419  17.665   0.593
  194   2HB   LYS  29          3HB       LYS  29  -9.764  17.216  -0.973
  195   1HG   LYS  29          2HG       LYS  29 -11.874  17.940  -1.639
  196   2HG   LYS  29          3HG       LYS  29 -12.270  16.254  -1.303
  197   1HD   LYS  29          2HD       LYS  29 -12.538  17.429   1.230
  198   2HD   LYS  29          3HD       LYS  29 -13.046  18.735   0.161
  199   1HE   LYS  29          2HE       LYS  29 -14.087  15.864   0.159
  200   2HE   LYS  29          3HE       LYS  29 -14.917  17.230   0.921
  201   1HZ   LYS  29          1HZ       LYS  29 -14.226  17.164  -1.959
  202   2HZ   LYS  29          2HZ       LYS  29 -15.663  16.621  -1.411
  203   3HZ   LYS  29          3HZ       LYS  29 -15.266  18.209  -1.207
  204    H    CYS  30           H        CYS  30  -8.377  15.579  -1.320
  205    HA   CYS  30           HA       CYS  30  -8.958  14.132  -3.574
  206   1HB   CYS  30          2HB       CYS  30  -6.428  14.548  -1.973
  207   2HB   CYS  30          3HB       CYS  30  -6.433  13.590  -3.450
  208    H    ASP  31           H        ASP  31  -8.174  12.986  -0.277
  209    HA   ASP  31           HA       ASP  31  -7.700  10.270  -0.778
  210   1HB   ASP  31          2HB       ASP  31  -7.770  11.803   1.465
  211   2HB   ASP  31          3HB       ASP  31  -9.370  11.184   1.607
  212    H    THR  32           H        THR  32 -10.732  11.841   0.147
  213    HA   THR  32           HA       THR  32 -12.341   9.474  -0.460
  214    HB   THR  32           HB       THR  32 -12.903  12.295   0.445
  215    HG1  THR  32           1HG      THR  32 -13.658  11.186   2.156
  216   1HG2  THR  32          1HG2      THR  32 -15.313  11.926   0.423
  217   2HG2  THR  32          2HG2      THR  32 -14.725  11.824  -1.234
  218   3HG2  THR  32          3HG2      THR  32 -15.076  10.324  -0.359
  219    H    ASP  33           H        ASP  33 -11.223  12.246  -2.312
  220    HA   ASP  33           HA       ASP  33 -13.117  12.298  -4.400
  221   1HB   ASP  33          2HB       ASP  33 -11.365  14.009  -4.158
  222   2HB   ASP  33          3HB       ASP  33 -10.136  12.783  -4.448
  223    H    CYS  34           H        CYS  34  -9.870  10.874  -4.682
  224    HA   CYS  34           HA       CYS  34 -10.804   9.070  -6.771
  225   1HB   CYS  34          2HB       CYS  34  -8.122   9.598  -5.458
  226   2HB   CYS  34          3HB       CYS  34  -8.366   8.227  -6.529
  227    H    SER  35           H        SER  35 -12.368   8.177  -5.213
  228    HA   SER  35           HA       SER  35 -11.544   5.572  -4.398
  229   1HB   SER  35          2HB       SER  35 -10.725   7.146  -2.451
  230   2HB   SER  35          3HB       SER  35 -12.433   7.204  -1.997
  231    HG   SER  35           HG       SER  35 -11.507   5.494  -0.992
  232    H    VAL  36           H        VAL  36 -13.435   4.307  -3.997
  233    HA   VAL  36           HA       VAL  36 -15.960   5.451  -4.746
  234    HB   VAL  36           HB       VAL  36 -15.694   2.639  -3.797
  235   1HG1  VAL  36          1HG1      VAL  36 -17.557   4.207  -5.482
  236   2HG1  VAL  36          2HG1      VAL  36 -17.089   2.688  -6.232
  237   3HG1  VAL  36          3HG1      VAL  36 -17.803   2.674  -4.621
  238   1HG2  VAL  36          1HG2      VAL  36 -14.995   2.165  -6.342
  239   2HG2  VAL  36          2HG2      VAL  36 -14.276   3.765  -6.196
  240   3HG2  VAL  36          3HG2      VAL  36 -13.809   2.467  -5.069
  241    H    LYS  37           H        LYS  37 -17.822   4.187  -3.300
  242    HA   LYS  37           HA       LYS  37 -17.543   4.077  -0.548
  243   1HB   LYS  37          2HB       LYS  37 -17.300   6.794  -1.295
  244   2HB   LYS  37          3HB       LYS  37 -18.990   6.682  -0.948
  245   1HG   LYS  37          2HG       LYS  37 -18.122   5.382   1.262
  246   2HG   LYS  37          3HG       LYS  37 -16.573   6.114   0.807
  247   1HD   LYS  37          2HD       LYS  37 -18.168   8.290   0.558
  248   2HD   LYS  37          3HD       LYS  37 -19.132   7.388   1.745
  249   1HE   LYS  37          2HE       LYS  37 -17.499   7.529   3.391
  250   2HE   LYS  37          3HE       LYS  37 -16.164   7.625   2.227
  251   1HZ   LYS  37          1HZ       LYS  37 -16.958   9.754   3.486
  252   2HZ   LYS  37          2HZ       LYS  37 -16.451   9.825   1.915
  253   3HZ   LYS  37          3HZ       LYS  37 -18.064   9.826   2.259
  254    H    ASP  38           H        ASP  38 -20.120   5.431   0.003
  255    HA   ASP  38           HA       ASP  38 -21.908   3.266  -0.937
  256   1HB   ASP  38          2HB       ASP  38 -21.632   4.306   1.557
  257   2HB   ASP  38          3HB       ASP  38 -22.762   5.496   0.911
  258    H    VAL  39           H        VAL  39 -24.133   4.020  -1.488
  259    HA   VAL  39           HA       VAL  39 -24.294   6.655  -2.863
  260    HB   VAL  39           HB       VAL  39 -24.731   3.962  -4.161
  261   1HG1  VAL  39          1HG1      VAL  39 -26.240   6.373  -4.650
  262   2HG1  VAL  39          2HG1      VAL  39 -25.185   6.150  -6.031
  263   3HG1  VAL  39          3HG1      VAL  39 -26.271   4.840  -5.524
  264   1HG2  VAL  39          1HG2      VAL  39 -23.112   6.142  -5.471
  265   2HG2  VAL  39          2HG2      VAL  39 -22.375   5.313  -4.132
  266   3HG2  VAL  39          3HG2      VAL  39 -22.911   4.363  -5.491
  267    H    LYS  40           H        LYS  40 -25.446   6.962  -0.875
  268    HA   LYS  40           HA       LYS  40 -27.712   5.649  -0.021
  269   1HB   LYS  40          2HB       LYS  40 -27.025   8.608  -0.093
  270   2HB   LYS  40          3HB       LYS  40 -28.566   8.092   0.560
  271   1HG   LYS  40          2HG       LYS  40 -26.152   6.585   1.566
  272   2HG   LYS  40          3HG       LYS  40 -26.239   8.272   2.018
  273   1HD   LYS  40          2HD       LYS  40 -27.465   7.512   3.759
  274   2HD   LYS  40          3HD       LYS  40 -28.812   7.561   2.643
  275   1HE   LYS  40          2HE       LYS  40 -27.118   5.073   2.605
  276   2HE   LYS  40          3HE       LYS  40 -28.059   5.347   4.073
  277   1HZ   LYS  40          1HZ       LYS  40 -29.173   4.071   2.178
  278   2HZ   LYS  40          2HZ       LYS  40 -30.057   5.272   2.873
  279   3HZ   LYS  40          3HZ       LYS  40 -29.338   5.524   1.428
  280    H    GLU  41           H        GLU  41 -29.790   5.357  -0.615
  281    HA   GLU  41           HA       GLU  41 -30.405   5.736  -3.359
  282   1HB   GLU  41          2HB       GLU  41 -32.508   4.728  -2.835
  283   2HB   GLU  41          3HB       GLU  41 -31.263   3.872  -1.929
  284   1HG   GLU  41          2HG       GLU  41 -31.873   4.878   0.144
  285   2HG   GLU  41          3HG       GLU  41 -32.831   6.143  -0.620
  286    H    LYS  42           H        LYS  42 -32.610   6.719  -3.962
  287    HA   LYS  42           HA       LYS  42 -32.520   9.557  -3.079
  288   1HB   LYS  42          2HB       LYS  42 -32.457   9.013  -5.503
  289   2HB   LYS  42          3HB       LYS  42 -34.021   8.214  -5.375
  290   1HG   LYS  42          2HG       LYS  42 -33.981  10.944  -4.179
  291   2HG   LYS  42          3HG       LYS  42 -33.532  10.959  -5.875
  292   1HD   LYS  42          2HD       LYS  42 -35.634  10.404  -6.605
  293   2HD   LYS  42          3HD       LYS  42 -35.921   9.268  -5.287
  294   1HE   LYS  42          2HE       LYS  42 -37.362  10.745  -4.539
  295   2HE   LYS  42          3HE       LYS  42 -35.950  11.470  -3.797
  296   1HZ   LYS  42          1HZ       LYS  42 -35.881  13.123  -5.392
  297   2HZ   LYS  42          2HZ       LYS  42 -36.770  12.262  -6.493
  298   3HZ   LYS  42          3HZ       LYS  42 -37.509  12.920  -5.175
  299    H    LEU  43           H        LEU  43 -33.541   9.714  -1.209
  300    HA   LEU  43           HA       LEU  43 -35.570   8.257  -0.091
  301   1HB   LEU  43          2HB       LEU  43 -34.384  10.878   0.314
  302   2HB   LEU  43          3HB       LEU  43 -36.102  11.084   0.442
  303    HG   LEU  43           HG       LEU  43 -35.119   8.717   1.962
  304   1HD1  LEU  43          1HD1      LEU  43 -34.038  11.486   2.529
  305   2HD1  LEU  43          2HD1      LEU  43 -34.249  10.275   3.812
  306   3HD1  LEU  43          3HD1      LEU  43 -33.190   9.925   2.438
  307   1HD2  LEU  43          1HD2      LEU  43 -36.819  11.139   2.691
  308   2HD2  LEU  43          2HD2      LEU  43 -37.409   9.542   2.185
  309   3HD2  LEU  43          3HD2      LEU  43 -36.544   9.712   3.715
  310    H    GLU  44           H        GLU  44 -37.923   8.673   0.219
  311    HA   GLU  44           HA       GLU  44 -39.171   9.903  -2.182
  312   1HB   GLU  44          2HB       GLU  44 -38.758   7.372  -2.361
  313   2HB   GLU  44          3HB       GLU  44 -40.042   7.202  -1.150
  314   1HG   GLU  44          2HG       GLU  44 -41.683   8.154  -2.572
  315   2HG   GLU  44          3HG       GLU  44 -40.495   8.921  -3.619
  316    H    ASN  45           H        ASN  45 -41.590   9.987  -1.885
  317    HA   ASN  45           HA       ASN  45 -42.630   9.946   0.733
  318   1HB   ASN  45          2HB       ASN  45 -41.078  12.222   0.338
  319   2HB   ASN  45          3HB       ASN  45 -42.648  12.794  -0.222
  320   1HD2  ASN  45          1HD2      ASN  45 -40.844  13.126   2.254
  321   2HD2  ASN  45          2HD2      ASN  45 -42.019  12.964   3.576
  322    H    TYR  46           H        TYR  46 -44.822  10.962   0.742
  323    HA   TYR  46           HA       TYR  46 -46.092  10.734  -1.965
  324   1HB   TYR  46          2HB       TYR  46 -46.492   8.963  -0.073
  325   2HB   TYR  46          3HB       TYR  46 -47.434  10.239   0.694
  326    HD1  TYR  46           HD1      TYR  46 -49.737  10.211   0.255
  327    HD2  TYR  46           HD2      TYR  46 -47.020   8.615  -2.698
  328    HE1  TYR  46           HE1      TYR  46 -51.667   9.527  -1.143
  329    HE2  TYR  46           HE2      TYR  46 -48.970   7.936  -4.107
  330    HH   TYR  46           HH       TYR  46 -52.173   7.909  -2.905
  331    H    LYS  47           H        LYS  47 -48.303  11.817  -1.918
  332    HA   LYS  47           HA       LYS  47 -48.201  14.364  -0.418
  333   1HB   LYS  47          2HB       LYS  47 -48.863  15.619  -2.405
  334   2HB   LYS  47          3HB       LYS  47 -47.289  14.884  -2.598
  335   1HG   LYS  47          2HG       LYS  47 -47.950  13.695  -4.403
  336   2HG   LYS  47          3HG       LYS  47 -49.315  13.006  -3.554
  337   1HD   LYS  47          2HD       LYS  47 -50.243  15.590  -4.023
  338   2HD   LYS  47          3HD       LYS  47 -49.203  15.280  -5.427
  339   1HE   LYS  47          2HE       LYS  47 -50.558  12.922  -5.322
  340   2HE   LYS  47          3HE       LYS  47 -51.722  13.928  -4.454
  341   1HZ   LYS  47          1HZ       LYS  47 -50.639  14.444  -7.163
  342   2HZ   LYS  47          2HZ       LYS  47 -52.183  13.986  -6.817
  343   3HZ   LYS  47          3HZ       LYS  47 -51.638  15.476  -6.361
  344    HA   PRO  48           HA       PRO  48 -52.390  13.476   0.389
  345   1HB   PRO  48          2HB       PRO  48 -53.394  16.054   0.862
  346   2HB   PRO  48          3HB       PRO  48 -52.436  15.073   2.001
  347   1HG   PRO  48          2HG       PRO  48 -51.607  17.434   0.397
  348   2HG   PRO  48          3HG       PRO  48 -50.895  16.767   1.900
  349   1HD   PRO  48          2HD       PRO  48 -49.976  16.449  -0.778
  350   2HD   PRO  48          3HD       PRO  48 -49.322  15.687   0.700
  351    H    LYS  49           H        LYS  49 -54.672  14.748  -0.181
  352    HA   LYS  49           HA       LYS  49 -54.729  14.894  -3.146
  353   1HB   LYS  49          2HB       LYS  49 -55.820  12.817  -1.844
  354   2HB   LYS  49          3HB       LYS  49 -57.114  13.974  -1.530
  355   1HG   LYS  49          2HG       LYS  49 -56.342  14.177  -4.338
  356   2HG   LYS  49          3HG       LYS  49 -56.492  12.466  -3.944
  357   1HD   LYS  49          2HD       LYS  49 -58.780  12.846  -3.093
  358   2HD   LYS  49          3HD       LYS  49 -58.582  14.595  -3.310
  359   1HE   LYS  49          2HE       LYS  49 -57.928  13.669  -5.822
  360   2HE   LYS  49          3HE       LYS  49 -59.113  12.454  -5.336
  361   1HZ   LYS  49          1HZ       LYS  49 -59.819  15.226  -4.801
  362   2HZ   LYS  49          2HZ       LYS  49 -59.794  14.804  -6.395
  363   3HZ   LYS  49          3HZ       LYS  49 -60.774  14.012  -5.333
  364    H    ASN  50           H        ASN  50 -56.750  16.058  -3.851
  365    HA   ASN  50           HA       ASN  50 -56.676  18.747  -3.237
  366   1HB   ASN  50          2HB       ASN  50 -58.549  16.949  -4.648
  367   2HB   ASN  50          3HB       ASN  50 -59.423  18.192  -3.768
  368   1HD2  ASN  50          1HD2      ASN  50 -60.089  18.627  -6.025
  369   2HD2  ASN  50          2HD2      ASN  50 -59.030  19.771  -6.870
  Start of MODEL   13
    1   1H    ASP   1           H1       ASP   1   0.374  -0.238  -0.226
    2   2H    ASP   1           H2       ASP   1   1.355   0.924   0.440
    3   3H    ASP   1           H3       ASP   1   1.688  -0.712   0.640
    4    HA   ASP   1           HA       ASP   1   2.576   0.958  -1.393
    5   1HB   ASP   1          2HB       ASP   1   3.287  -1.491  -0.151
    6   2HB   ASP   1          3HB       ASP   1   2.939  -1.933  -1.825
    7    H    GLU   2           H        GLU   2   1.972   1.158  -3.518
    8    HA   GLU   2           HA       GLU   2  -0.401  -0.416  -4.399
    9   1HB   GLU   2          2HB       GLU   2   0.465   2.325  -4.726
   10   2HB   GLU   2          3HB       GLU   2   0.314   1.565  -6.306
   11   1HG   GLU   2          2HG       GLU   2  -1.970   1.120  -6.047
   12   2HG   GLU   2          3HG       GLU   2  -1.888   1.145  -4.285
   13    H    ALA   3           H        ALA   3   3.006  -0.512  -4.535
   14    HA   ALA   3           HA       ALA   3   3.422  -1.139  -7.232
   15   1HB   ALA   3          1HB       ALA   3   5.550  -1.725  -6.587
   16   2HB   ALA   3          2HB       ALA   3   5.054  -0.838  -5.137
   17   3HB   ALA   3          3HB       ALA   3   4.990  -2.613  -5.159
   18    H    GLN   4           H        GLN   4   2.820  -3.412  -4.537
   19    HA   GLN   4           HA       GLN   4   2.722  -5.803  -5.887
   20   1HB   GLN   4          2HB       GLN   4   0.900  -4.766  -3.691
   21   2HB   GLN   4          3HB       GLN   4   0.892  -6.441  -4.249
   22   1HG   GLN   4          2HG       GLN   4   3.636  -5.760  -3.754
   23   2HG   GLN   4          3HG       GLN   4   2.718  -5.129  -2.392
   24   1HE2  GLN   4          1HE2      GLN   4   4.648  -7.474  -2.717
   25   2HE2  GLN   4          2HE2      GLN   4   3.695  -8.814  -2.061
   26    H    PHE   5           H        PHE   5   0.362  -3.258  -6.164
   27    HA   PHE   5           HA       PHE   5  -1.564  -4.866  -7.775
   28   1HB   PHE   5          2HB       PHE   5  -2.158  -3.111  -5.911
   29   2HB   PHE   5          3HB       PHE   5  -1.521  -1.901  -7.020
   30    HD1  PHE   5           HD1      PHE   5  -4.192  -4.256  -6.387
   31    HD2  PHE   5           HD2      PHE   5  -2.615  -1.392  -9.193
   32    HE1  PHE   5           HE1      PHE   5  -6.388  -4.119  -7.509
   33    HE2  PHE   5           HE2      PHE   5  -4.822  -1.285 -10.318
   34    HZ   PHE   5           HZ       PHE   5  -6.667  -2.696  -9.524
   35    H    LYS   6           H        LYS   6   0.725  -2.065  -8.018
   36    HA   LYS   6           HA       LYS   6   0.207  -1.317 -10.713
   37   1HB   LYS   6          2HB       LYS   6   1.971   0.090 -10.503
   38   2HB   LYS   6          3HB       LYS   6   1.804  -0.284  -8.819
   39   1HG   LYS   6          2HG       LYS   6   4.078  -0.516  -9.157
   40   2HG   LYS   6          3HG       LYS   6   3.600  -2.181  -9.287
   41   1HD   LYS   6          2HD       LYS   6   4.012  -2.371 -11.513
   42   2HD   LYS   6          3HD       LYS   6   3.646  -0.678 -11.872
   43   1HE   LYS   6          2HE       LYS   6   6.085  -1.746 -10.391
   44   2HE   LYS   6          3HE       LYS   6   6.034  -1.293 -12.106
   45   1HZ   LYS   6          1HZ       LYS   6   6.371   0.818 -11.491
   46   2HZ   LYS   6          2HZ       LYS   6   4.966   0.809 -10.646
   47   3HZ   LYS   6          3HZ       LYS   6   6.368   0.408  -9.884
   48    H    GLU   7           H        GLU   7   2.002  -3.989  -9.373
   49    HA   GLU   7           HA       GLU   7   3.151  -4.751 -11.914
   50   1HB   GLU   7          2HB       GLU   7   3.963  -5.321  -9.407
   51   2HB   GLU   7          3HB       GLU   7   2.894  -6.704  -9.651
   52   1HG   GLU   7          2HG       GLU   7   4.162  -7.158 -11.832
   53   2HG   GLU   7          3HG       GLU   7   5.257  -5.857 -11.375
   54    H    CYS   8           H        CYS   8   0.257  -5.539 -10.055
   55    HA   CYS   8           HA       CYS   8  -0.477  -7.772 -11.766
   56   1HB   CYS   8          2HB       CYS   8  -1.290  -6.983  -9.277
   57   2HB   CYS   8          3HB       CYS   8  -2.514  -6.215 -10.270
   58    H    TYR   9           H        TYR   9  -1.350  -4.312 -11.515
   59    HA   TYR   9           HA       TYR   9  -3.186  -4.268 -13.659
   60   1HB   TYR   9          2HB       TYR   9  -2.588  -2.507 -11.825
   61   2HB   TYR   9          3HB       TYR   9  -1.240  -2.039 -12.851
   62    HD1  TYR   9           HD1      TYR   9  -1.714  -1.016 -15.135
   63    HD2  TYR   9           HD2      TYR   9  -4.840  -1.934 -12.309
   64    HE1  TYR   9           HE1      TYR   9  -3.224   0.581 -16.277
   65    HE2  TYR   9           HE2      TYR   9  -6.315  -0.322 -13.455
   66    HH   TYR   9           HH       TYR   9  -5.676   1.983 -15.321
   67    H    ASP  10           H        ASP  10   0.297  -3.454 -13.659
   68    HA   ASP  10           HA       ASP  10   0.487  -2.916 -16.447
   69   1HB   ASP  10          2HB       ASP  10   2.170  -2.532 -14.431
   70   2HB   ASP  10          3HB       ASP  10   2.793  -4.109 -14.864
   71    H    THR  11           H        THR  11   1.332  -5.835 -14.573
   72    HA   THR  11           HA       THR  11   2.011  -7.464 -16.800
   73    HB   THR  11           HB       THR  11   1.056  -8.293 -14.004
   74    HG1  THR  11           1HG      THR  11   3.621  -7.838 -15.197
   75   1HG2  THR  11          1HG2      THR  11   2.571 -10.245 -14.438
   76   2HG2  THR  11          2HG2      THR  11   1.057 -10.266 -15.351
   77   3HG2  THR  11          3HG2      THR  11   2.577  -9.792 -16.163
   78    H    CYS  12           H        CYS  12  -1.079  -7.112 -14.970
   79    HA   CYS  12           HA       CYS  12  -2.561  -9.039 -16.406
   80   1HB   CYS  12          2HB       CYS  12  -3.428  -8.006 -14.362
   81   2HB   CYS  12          3HB       CYS  12  -3.554  -6.464 -15.172
   82    H    HIS  13           H        HIS  13  -1.996  -5.518 -17.003
   83    HA   HIS  13           HA       HIS  13  -3.499  -5.253 -19.350
   84   1HB   HIS  13          2HB       HIS  13  -2.005  -3.512 -17.990
   85   2HB   HIS  13          3HB       HIS  13  -0.830  -3.957 -19.205
   86    HD1  HIS  13           HD1      HIS  13  -0.902  -2.310 -21.075
   87    HD2  HIS  13           HD2      HIS  13  -4.622  -2.904 -19.226
   88    HE1  HIS  13           HE1      HIS  13  -2.542  -0.751 -22.296
   89    HE2  HIS  13           HE2      HIS  13  -4.858  -1.123 -21.093
   90    H    LYS  14           H        LYS  14  -0.247  -6.579 -18.984
   91    HA   LYS  14           HA       LYS  14   0.341  -6.948 -21.739
   92   1HB   LYS  14          2HB       LYS  14   1.751  -7.376 -19.490
   93   2HB   LYS  14          3HB       LYS  14   1.215  -9.036 -19.761
   94   1HG   LYS  14          2HG       LYS  14   2.028  -8.749 -22.195
   95   2HG   LYS  14          3HG       LYS  14   2.784  -7.243 -21.622
   96   1HD   LYS  14          2HD       LYS  14   3.755  -8.831 -19.718
   97   2HD   LYS  14          3HD       LYS  14   3.356 -10.122 -20.872
   98   1HE   LYS  14          2HE       LYS  14   4.685  -8.797 -22.613
   99   2HE   LYS  14          3HE       LYS  14   5.154  -7.699 -21.307
  100   1HZ   LYS  14          1HZ       LYS  14   6.104 -10.360 -21.864
  101   2HZ   LYS  14          2HZ       LYS  14   6.833  -9.150 -21.011
  102   3HZ   LYS  14          3HZ       LYS  14   5.731 -10.124 -20.281
  103    H    GLU  15           H        GLU  15  -0.818  -9.567 -19.570
  104    HA   GLU  15           HA       GLU  15  -1.679 -11.279 -21.710
  105   1HB   GLU  15          2HB       GLU  15  -1.172 -11.925 -19.309
  106   2HB   GLU  15          3HB       GLU  15  -2.727 -11.230 -18.857
  107   1HG   GLU  15          2HG       GLU  15  -3.954 -12.861 -19.997
  108   2HG   GLU  15          3HG       GLU  15  -2.659 -13.210 -21.135
  109    H    CYS  16           H        CYS  16  -3.106  -8.474 -20.367
  110    HA   CYS  16           HA       CYS  16  -5.793  -9.057 -21.144
  111   1HB   CYS  16          2HB       CYS  16  -5.185  -7.438 -19.368
  112   2HB   CYS  16          3HB       CYS  16  -4.621  -6.333 -20.617
  113    H    SER  17           H        SER  17  -3.546  -6.546 -22.356
  114    HA   SER  17           HA       SER  17  -4.818  -5.936 -24.796
  115   1HB   SER  17          2HB       SER  17  -2.393  -5.191 -23.527
  116   2HB   SER  17          3HB       SER  17  -1.914  -5.936 -25.038
  117    HG   SER  17           HG       SER  17  -3.403  -3.615 -24.595
  118    H    ASP  18           H        ASP  18  -2.856  -8.751 -23.937
  119    HA   ASP  18           HA       ASP  18  -2.183  -9.824 -26.455
  120   1HB   ASP  18          2HB       ASP  18  -1.368 -10.956 -24.543
  121   2HB   ASP  18          3HB       ASP  18  -2.944 -10.970 -23.792
  122    H    LYS  19           H        LYS  19  -5.365  -9.752 -24.759
  123    HA   LYS  19           HA       LYS  19  -6.673 -11.474 -26.549
  124   1HB   LYS  19          2HB       LYS  19  -7.410  -9.641 -24.355
  125   2HB   LYS  19          3HB       LYS  19  -8.540  -9.554 -25.609
  126   1HG   LYS  19          2HG       LYS  19  -7.766 -12.346 -24.995
  127   2HG   LYS  19          3HG       LYS  19  -8.250 -11.478 -23.539
  128   1HD   LYS  19          2HD       LYS  19 -10.356 -10.749 -24.755
  129   2HD   LYS  19          3HD       LYS  19  -9.822 -11.756 -26.122
  130   1HE   LYS  19          2HE       LYS  19  -9.623 -13.638 -24.296
  131   2HE   LYS  19          3HE       LYS  19 -10.675 -12.601 -23.329
  132   1HZ   LYS  19          1HZ       LYS  19 -12.393 -12.833 -24.902
  133   2HZ   LYS  19          2HZ       LYS  19 -11.372 -13.281 -26.111
  134   3HZ   LYS  19          3HZ       LYS  19 -11.724 -14.345 -24.907
  135    H    GLY  20           H        GLY  20  -5.298  -8.553 -27.204
  136   1HA   GLY  20          2HA       GLY  20  -5.146  -7.383 -29.155
  137   2HA   GLY  20          3HA       GLY  20  -6.419  -8.367 -29.867
  138    H    ASN  21           H        ASN  21  -7.014  -6.922 -26.793
  139    HA   ASN  21           HA       ASN  21  -9.154  -5.264 -27.910
  140   1HB   ASN  21          2HB       ASN  21  -8.501  -6.424 -25.292
  141   2HB   ASN  21          3HB       ASN  21  -9.107  -4.789 -25.185
  142   1HD2  ASN  21          1HD2      ASN  21 -10.250  -7.566 -24.635
  143   2HD2  ASN  21          2HD2      ASN  21 -11.847  -7.405 -25.397
  144    H    GLY  22           H        GLY  22  -9.396  -3.119 -26.589
  145   1HA   GLY  22          2HA       GLY  22  -7.073  -1.447 -27.354
  146   2HA   GLY  22          3HA       GLY  22  -8.623  -0.859 -26.723
  147    H    PHE  23           H        PHE  23  -5.723  -0.391 -25.998
  148    HA   PHE  23           HA       PHE  23  -4.976  -1.354 -23.533
  149   1HB   PHE  23          2HB       PHE  23  -3.666   0.610 -23.334
  150   2HB   PHE  23          3HB       PHE  23  -3.754   0.297 -25.051
  151    HD1  PHE  23           HD1      PHE  23  -4.300   2.691 -22.372
  152    HD2  PHE  23           HD2      PHE  23  -5.646   1.654 -26.342
  153    HE1  PHE  23           HE1      PHE  23  -5.242   4.939 -22.652
  154    HE2  PHE  23           HE2      PHE  23  -6.610   3.907 -26.588
  155    HZ   PHE  23           HZ       PHE  23  -6.378   5.565 -24.762
  156    H    THR  24           H        THR  24  -7.164   1.406 -24.126
  157    HA   THR  24           HA       THR  24  -7.678   2.131 -21.499
  158    HB   THR  24           HB       THR  24  -9.008   2.497 -24.150
  159    HG1  THR  24           1HG      THR  24  -8.453   4.087 -21.860
  160   1HG2  THR  24          1HG2      THR  24 -10.605   2.813 -21.566
  161   2HG2  THR  24          2HG2      THR  24 -10.945   3.757 -23.032
  162   3HG2  THR  24          3HG2      THR  24 -11.099   2.008 -23.075
  163    H    PHE  25           H        PHE  25  -9.930   0.137 -23.448
  164    HA   PHE  25           HA       PHE  25 -11.569  -0.705 -21.360
  165   1HB   PHE  25          2HB       PHE  25 -12.172  -1.170 -23.646
  166   2HB   PHE  25          3HB       PHE  25 -10.636  -1.968 -23.964
  167    HD1  PHE  25           HD1      PHE  25 -10.278  -4.273 -23.510
  168    HD2  PHE  25           HD2      PHE  25 -13.844  -2.367 -22.082
  169    HE1  PHE  25           HE1      PHE  25 -11.225  -6.488 -22.940
  170    HE2  PHE  25           HE2      PHE  25 -14.823  -4.585 -21.571
  171    HZ   PHE  25           HZ       PHE  25 -13.523  -6.653 -22.047
  172    H    CYS  26           H        CYS  26  -8.478  -2.156 -22.507
  173    HA   CYS  26           HA       CYS  26  -8.548  -4.313 -20.730
  174   1HB   CYS  26          2HB       CYS  26  -6.619  -3.058 -22.573
  175   2HB   CYS  26          3HB       CYS  26  -5.875  -3.690 -21.127
  176    H    GLU  27           H        GLU  27  -7.549  -0.948 -20.315
  177    HA   GLU  27           HA       GLU  27  -6.208  -1.297 -17.793
  178   1HB   GLU  27          2HB       GLU  27  -6.830   0.899 -19.679
  179   2HB   GLU  27          3HB       GLU  27  -7.241   1.339 -18.034
  180   1HG   GLU  27          2HG       GLU  27  -4.810   0.212 -17.613
  181   2HG   GLU  27          3HG       GLU  27  -4.605   0.688 -19.270
  182    H    MET  28           H        MET  28  -9.294   0.354 -18.536
  183    HA   MET  28           HA       MET  28 -10.287   0.537 -15.947
  184   1HB   MET  28          2HB       MET  28 -11.291   1.314 -18.272
  185   2HB   MET  28          3HB       MET  28 -12.086  -0.264 -18.262
  186   1HG   MET  28          2HG       MET  28 -12.987   0.361 -15.934
  187   2HG   MET  28          3HG       MET  28 -12.345   1.974 -16.225
  188   1HE   MET  28          1HE       MET  28 -15.328  -0.470 -18.451
  189   2HE   MET  28          2HE       MET  28 -14.560  -0.770 -16.872
  190   3HE   MET  28          3HE       MET  28 -16.094   0.123 -16.954
  191    H    LYS  29           H        LYS  29 -10.029  -2.294 -17.943
  192    HA   LYS  29           HA       LYS  29 -11.720  -3.938 -16.183
  193   1HB   LYS  29          2HB       LYS  29 -11.464  -4.184 -18.783
  194   2HB   LYS  29          3HB       LYS  29  -9.977  -5.036 -18.388
  195   1HG   LYS  29          2HG       LYS  29 -12.750  -5.623 -17.264
  196   2HG   LYS  29          3HG       LYS  29 -12.046  -6.454 -18.650
  197   1HD   LYS  29          2HD       LYS  29 -10.080  -6.739 -16.639
  198   2HD   LYS  29          3HD       LYS  29 -11.606  -6.854 -15.750
  199   1HE   LYS  29          2HE       LYS  29 -11.991  -8.435 -18.019
  200   2HE   LYS  29          3HE       LYS  29 -10.254  -8.605 -17.719
  201   1HZ   LYS  29          1HZ       LYS  29 -10.741 -10.027 -16.084
  202   2HZ   LYS  29          2HZ       LYS  29 -11.424  -8.827 -15.253
  203   3HZ   LYS  29          3HZ       LYS  29 -12.380  -9.749 -16.241
  204    H    CYS  30           H        CYS  30  -8.268  -4.089 -17.196
  205    HA   CYS  30           HA       CYS  30  -7.237  -5.905 -15.388
  206   1HB   CYS  30          2HB       CYS  30  -6.129  -3.384 -16.583
  207   2HB   CYS  30          3HB       CYS  30  -5.174  -4.397 -15.529
  208    H    ASP  31           H        ASP  31  -8.225  -2.554 -14.856
  209    HA   ASP  31           HA       ASP  31  -7.130  -2.120 -12.307
  210   1HB   ASP  31          2HB       ASP  31  -8.542  -0.580 -14.066
  211   2HB   ASP  31          3HB       ASP  31  -9.878  -1.066 -13.086
  212    H    THR  32           H        THR  32 -10.441  -3.064 -13.165
  213    HA   THR  32           HA       THR  32 -11.019  -3.924 -10.418
  214    HB   THR  32           HB       THR  32 -12.533  -3.694 -13.019
  215    HG1  THR  32           1HG      THR  32 -12.867  -3.100 -10.264
  216   1HG2  THR  32          1HG2      THR  32 -14.484  -4.832 -12.154
  217   2HG2  THR  32          2HG2      THR  32 -13.168  -6.010 -12.283
  218   3HG2  THR  32          3HG2      THR  32 -13.606  -5.353 -10.687
  219    H    ASP  33           H        ASP  33  -9.553  -5.426 -13.148
  220    HA   ASP  33           HA       ASP  33 -10.318  -8.103 -12.877
  221   1HB   ASP  33          2HB       ASP  33  -8.956  -7.352 -14.766
  222   2HB   ASP  33          3HB       ASP  33  -7.648  -6.924 -13.666
  223    H    CYS  34           H        CYS  34  -7.236  -6.743 -11.748
  224    HA   CYS  34           HA       CYS  34  -6.839  -8.859  -9.844
  225   1HB   CYS  34          2HB       CYS  34  -5.080  -7.349 -11.152
  226   2HB   CYS  34          3HB       CYS  34  -5.249  -6.303  -9.755
  227    H    SER  35           H        SER  35  -8.982  -8.254  -9.010
  228    HA   SER  35           HA       SER  35  -8.982  -7.440  -6.363
  229   1HB   SER  35          2HB       SER  35  -9.110  -5.119  -8.085
  230   2HB   SER  35          3HB       SER  35 -10.509  -5.191  -7.000
  231    HG   SER  35           HG       SER  35  -8.314  -4.314  -6.268
  232    H    VAL  36           H        VAL  36 -11.180  -7.552  -5.427
  233    HA   VAL  36           HA       VAL  36 -13.152  -8.852  -7.066
  234    HB   VAL  36           HB       VAL  36 -13.695  -8.027  -4.268
  235   1HG1  VAL  36          1HG1      VAL  36 -14.696 -10.066  -6.184
  236   2HG1  VAL  36          2HG1      VAL  36 -14.442 -10.683  -4.549
  237   3HG1  VAL  36          3HG1      VAL  36 -15.504  -9.294  -4.797
  238   1HG2  VAL  36          1HG2      VAL  36 -11.498  -9.890  -5.089
  239   2HG2  VAL  36          2HG2      VAL  36 -11.656  -8.821  -3.679
  240   3HG2  VAL  36          3HG2      VAL  36 -12.491 -10.383  -3.716
  241    H    LYS  37           H        LYS  37 -15.539  -7.954  -6.218
  242    HA   LYS  37           HA       LYS  37 -15.936  -5.172  -6.118
  243   1HB   LYS  37          2HB       LYS  37 -16.771  -4.709  -8.407
  244   2HB   LYS  37          3HB       LYS  37 -15.065  -5.081  -8.433
  245   1HG   LYS  37          2HG       LYS  37 -15.298  -7.098  -9.481
  246   2HG   LYS  37          3HG       LYS  37 -16.893  -7.448  -8.834
  247   1HD   LYS  37          2HD       LYS  37 -18.017  -6.280 -10.440
  248   2HD   LYS  37          3HD       LYS  37 -16.764  -5.047 -10.596
  249   1HE   LYS  37          2HE       LYS  37 -16.327  -6.029 -12.551
  250   2HE   LYS  37          3HE       LYS  37 -15.327  -7.077 -11.549
  251   1HZ   LYS  37          1HZ       LYS  37 -17.207  -8.631 -11.437
  252   2HZ   LYS  37          2HZ       LYS  37 -18.122  -7.643 -12.376
  253   3HZ   LYS  37          3HZ       LYS  37 -16.782  -8.367 -13.008
  254    H    ASP  38           H        ASP  38 -18.356  -4.924  -7.424
  255    HA   ASP  38           HA       ASP  38 -20.028  -6.930  -6.016
  256   1HB   ASP  38          2HB       ASP  38 -19.996  -4.157  -5.695
  257   2HB   ASP  38          3HB       ASP  38 -21.273  -4.371  -6.871
  258    H    VAL  39           H        VAL  39 -20.955  -8.335  -7.339
  259    HA   VAL  39           HA       VAL  39 -21.759  -7.439 -10.075
  260    HB   VAL  39           HB       VAL  39 -19.777  -8.991  -9.942
  261   1HG1  VAL  39          1HG1      VAL  39 -19.811 -11.049  -9.019
  262   2HG1  VAL  39          2HG1      VAL  39 -21.302 -10.551  -8.214
  263   3HG1  VAL  39          3HG1      VAL  39 -21.395 -11.428  -9.731
  264   1HG2  VAL  39          1HG2      VAL  39 -20.585  -8.849 -12.071
  265   2HG2  VAL  39          2HG2      VAL  39 -21.021 -10.549 -11.776
  266   3HG2  VAL  39          3HG2      VAL  39 -22.235  -9.285 -11.611
  267    H    LYS  40           H        LYS  40 -23.550  -6.844  -8.318
  268    HA   LYS  40           HA       LYS  40 -25.245  -8.689  -7.200
  269   1HB   LYS  40          2HB       LYS  40 -25.934  -6.090  -8.596
  270   2HB   LYS  40          3HB       LYS  40 -27.110  -7.054  -7.702
  271   1HG   LYS  40          2HG       LYS  40 -25.383  -6.983  -5.740
  272   2HG   LYS  40          3HG       LYS  40 -24.632  -5.647  -6.619
  273   1HD   LYS  40          2HD       LYS  40 -27.606  -5.722  -5.980
  274   2HD   LYS  40          3HD       LYS  40 -26.432  -5.121  -4.807
  275   1HE   LYS  40          2HE       LYS  40 -25.903  -3.245  -6.012
  276   2HE   LYS  40          3HE       LYS  40 -26.194  -4.012  -7.574
  277   1HZ   LYS  40          1HZ       LYS  40 -28.567  -3.886  -7.159
  278   2HZ   LYS  40          2HZ       LYS  40 -28.320  -3.182  -5.689
  279   3HZ   LYS  40          3HZ       LYS  40 -27.913  -2.381  -7.068
  280    H    GLU  41           H        GLU  41 -25.448 -10.594  -8.251
  281    HA   GLU  41           HA       GLU  41 -26.636 -10.738 -10.946
  282   1HB   GLU  41          2HB       GLU  41 -24.931 -12.510  -9.243
  283   2HB   GLU  41          3HB       GLU  41 -26.056 -13.318 -10.305
  284   1HG   GLU  41          2HG       GLU  41 -24.556 -11.117 -11.626
  285   2HG   GLU  41          3HG       GLU  41 -23.575 -12.469 -11.077
  286    H    LYS  42           H        LYS  42 -28.221  -9.781  -8.926
  287    HA   LYS  42           HA       LYS  42 -30.182 -11.982  -8.548
  288   1HB   LYS  42          2HB       LYS  42 -29.096 -10.521  -6.513
  289   2HB   LYS  42          3HB       LYS  42 -30.431  -9.474  -6.927
  290   1HG   LYS  42          2HG       LYS  42 -31.391 -12.237  -6.923
  291   2HG   LYS  42          3HG       LYS  42 -30.452 -11.974  -5.465
  292   1HD   LYS  42          2HD       LYS  42 -31.913 -10.294  -4.689
  293   2HD   LYS  42          3HD       LYS  42 -32.540  -9.952  -6.319
  294   1HE   LYS  42          2HE       LYS  42 -33.570 -12.212  -6.388
  295   2HE   LYS  42          3HE       LYS  42 -33.122 -12.454  -4.696
  296   1HZ   LYS  42          1HZ       LYS  42 -35.444 -11.537  -5.138
  297   2HZ   LYS  42          2HZ       LYS  42 -34.548 -10.607  -4.107
  298   3HZ   LYS  42          3HZ       LYS  42 -34.779 -10.179  -5.693
  299    H    LEU  43           H        LEU  43 -29.839 -10.746 -10.984
  300    HA   LEU  43           HA       LEU  43 -31.463  -8.605 -11.619
  301   1HB   LEU  43          2HB       LEU  43 -30.018 -10.554 -13.009
  302   2HB   LEU  43          3HB       LEU  43 -31.639 -10.861 -13.544
  303    HG   LEU  43           HG       LEU  43 -30.672  -8.020 -13.552
  304   1HD1  LEU  43          1HD1      LEU  43 -29.265  -8.143 -15.314
  305   2HD1  LEU  43          2HD1      LEU  43 -28.957  -9.758 -14.670
  306   3HD1  LEU  43          3HD1      LEU  43 -30.062  -9.566 -16.030
  307   1HD2  LEU  43          1HD2      LEU  43 -32.104  -8.897 -15.942
  308   2HD2  LEU  43          2HD2      LEU  43 -33.008  -9.324 -14.504
  309   3HD2  LEU  43          3HD2      LEU  43 -32.530  -7.638 -14.775
  310    H    GLU  44           H        GLU  44 -33.639  -8.494 -12.558
  311    HA   GLU  44           HA       GLU  44 -35.457 -10.644 -12.073
  312   1HB   GLU  44          2HB       GLU  44 -34.873  -9.018  -9.784
  313   2HB   GLU  44          3HB       GLU  44 -36.454  -8.499 -10.370
  314   1HG   GLU  44          2HG       GLU  44 -36.973 -11.064 -10.519
  315   2HG   GLU  44          3HG       GLU  44 -35.553 -11.266  -9.497
  316    H    ASN  45           H        ASN  45 -37.059 -10.406 -13.438
  317    HA   ASN  45           HA       ASN  45 -37.227  -8.022 -15.107
  318   1HB   ASN  45          2HB       ASN  45 -38.485 -10.735 -14.998
  319   2HB   ASN  45          3HB       ASN  45 -39.553  -9.479 -15.589
  320   1HD2  ASN  45          1HD2      ASN  45 -38.971 -11.474 -17.264
  321   2HD2  ASN  45          2HD2      ASN  45 -37.876 -10.830 -18.500
  322    H    TYR  46           H        TYR  46 -39.431  -7.039 -15.508
  323    HA   TYR  46           HA       TYR  46 -40.844  -6.511 -12.938
  324   1HB   TYR  46          2HB       TYR  46 -40.729  -4.195 -13.312
  325   2HB   TYR  46          3HB       TYR  46 -39.090  -4.764 -13.616
  326    HD1  TYR  46           HD1      TYR  46 -38.271  -4.986 -16.019
  327    HD2  TYR  46           HD2      TYR  46 -42.098  -3.252 -15.084
  328    HE1  TYR  46           HE1      TYR  46 -38.372  -3.997 -18.289
  329    HE2  TYR  46           HE2      TYR  46 -42.195  -2.248 -17.377
  330    HH   TYR  46           HH       TYR  46 -39.470  -2.486 -19.605
  331    H    LYS  47           H        LYS  47 -42.982  -6.285 -13.149
  332    HA   LYS  47           HA       LYS  47 -44.580  -5.521 -15.292
  333   1HB   LYS  47          2HB       LYS  47 -43.549  -8.292 -15.596
  334   2HB   LYS  47          3HB       LYS  47 -45.284  -8.239 -15.576
  335   1HG   LYS  47          2HG       LYS  47 -43.968  -6.128 -17.236
  336   2HG   LYS  47          3HG       LYS  47 -43.710  -7.777 -17.786
  337   1HD   LYS  47          2HD       LYS  47 -45.878  -8.095 -18.387
  338   2HD   LYS  47          3HD       LYS  47 -46.537  -7.177 -17.029
  339   1HE   LYS  47          2HE       LYS  47 -46.851  -5.377 -18.276
  340   2HE   LYS  47          3HE       LYS  47 -45.127  -5.281 -18.597
  341   1HZ   LYS  47          1HZ       LYS  47 -45.827  -7.213 -20.279
  342   2HZ   LYS  47          2HZ       LYS  47 -47.225  -6.341 -20.285
  343   3HZ   LYS  47          3HZ       LYS  47 -45.796  -5.628 -20.708
  344    HA   PRO  48           HA       PRO  48 -47.349  -7.647 -12.102
  345   1HB   PRO  48          2HB       PRO  48 -46.262  -9.395 -10.223
  346   2HB   PRO  48          3HB       PRO  48 -46.925  -9.871 -11.793
  347   1HG   PRO  48          2HG       PRO  48 -44.076  -9.701 -10.934
  348   2HG   PRO  48          3HG       PRO  48 -44.821 -10.655 -12.232
  349   1HD   PRO  48          2HD       PRO  48 -43.394  -8.214 -12.462
  350   2HD   PRO  48          3HD       PRO  48 -44.235  -9.137 -13.736
  351    H    LYS  49           H        LYS  49 -46.318  -5.270 -11.902
  352    HA   LYS  49           HA       LYS  49 -44.837  -4.412  -9.726
  353   1HB   LYS  49          2HB       LYS  49 -46.099  -3.104 -11.699
  354   2HB   LYS  49          3HB       LYS  49 -47.327  -2.841 -10.485
  355   1HG   LYS  49          2HG       LYS  49 -44.386  -2.238  -9.973
  356   2HG   LYS  49          3HG       LYS  49 -45.479  -1.089 -10.735
  357   1HD   LYS  49          2HD       LYS  49 -46.981  -1.752  -8.534
  358   2HD   LYS  49          3HD       LYS  49 -45.380  -2.032  -7.876
  359   1HE   LYS  49          2HE       LYS  49 -45.661   0.475  -9.469
  360   2HE   LYS  49          3HE       LYS  49 -46.745   0.400  -8.085
  361   1HZ   LYS  49          1HZ       LYS  49 -45.041   0.819  -6.745
  362   2HZ   LYS  49          2HZ       LYS  49 -44.199  -0.477  -7.300
  363   3HZ   LYS  49          3HZ       LYS  49 -44.029   0.987  -8.040
  364    H    ASN  50           H        ASN  50 -48.391  -4.447  -9.574
  365    HA   ASN  50           HA       ASN  50 -48.260  -4.972  -6.641
  366   1HB   ASN  50          2HB       ASN  50 -50.457  -3.851  -8.446
  367   2HB   ASN  50          3HB       ASN  50 -50.689  -4.266  -6.759
  368   1HD2  ASN  50          1HD2      ASN  50 -50.414  -1.695  -8.600
  369   2HD2  ASN  50          2HD2      ASN  50 -49.568  -0.637  -7.454
  Start of MODEL   14
    1   1H    ASP   1           H1       ASP   1   1.162  -0.892   0.326
    2   2H    ASP   1           H2       ASP   1   0.483   0.588  -0.040
    3   3H    ASP   1           H3       ASP   1   1.933   0.401   0.793
    4    HA   ASP   1           HA       ASP   1   1.601   0.532  -2.017
    5   1HB   ASP   1          2HB       ASP   1   4.132   0.422  -1.939
    6   2HB   ASP   1          3HB       ASP   1   3.374   1.733  -1.026
    7    H    GLU   2           H        GLU   2   0.799  -2.186  -0.386
    8    HA   GLU   2           HA       GLU   2   2.530  -4.121  -1.322
    9   1HB   GLU   2          2HB       GLU   2  -0.111  -3.857  -0.121
   10   2HB   GLU   2          3HB       GLU   2  -0.174  -5.092  -1.364
   11   1HG   GLU   2          2HG       GLU   2   1.478  -6.429  -0.385
   12   2HG   GLU   2          3HG       GLU   2   2.115  -5.115   0.622
   13    H    ALA   3           H        ALA   3   0.358  -2.115  -3.072
   14    HA   ALA   3           HA       ALA   3  -0.383  -3.716  -5.281
   15   1HB   ALA   3          1HB       ALA   3   0.409  -0.978  -6.038
   16   2HB   ALA   3          2HB       ALA   3  -1.174  -1.757  -6.076
   17   3HB   ALA   3          3HB       ALA   3  -0.585  -0.974  -4.570
   18    H    GLN   4           H        GLN   4   2.582  -1.646  -4.920
   19    HA   GLN   4           HA       GLN   4   3.857  -2.286  -7.304
   20   1HB   GLN   4          2HB       GLN   4   4.889  -1.826  -4.472
   21   2HB   GLN   4          3HB       GLN   4   6.011  -2.149  -5.791
   22   1HG   GLN   4          2HG       GLN   4   3.949   0.070  -6.006
   23   2HG   GLN   4          3HG       GLN   4   5.529   0.324  -5.245
   24   1HE2  GLN   4          1HE2      GLN   4   3.871  -0.460  -8.319
   25   2HE2  GLN   4          2HE2      GLN   4   5.289  -0.146  -9.299
   26    H    PHE   5           H        PHE   5   3.385  -4.405  -4.611
   27    HA   PHE   5           HA       PHE   5   5.096  -6.551  -5.719
   28   1HB   PHE   5          2HB       PHE   5   4.874  -5.859  -3.210
   29   2HB   PHE   5          3HB       PHE   5   3.263  -6.562  -3.279
   30    HD1  PHE   5           HD1      PHE   5   6.724  -7.269  -2.968
   31    HD2  PHE   5           HD2      PHE   5   2.858  -8.979  -3.935
   32    HE1  PHE   5           HE1      PHE   5   7.539  -9.545  -2.422
   33    HE2  PHE   5           HE2      PHE   5   3.753 -11.248  -3.458
   34    HZ   PHE   5           HZ       PHE   5   6.114 -11.534  -2.812
   35    H    LYS   6           H        LYS   6   1.662  -5.802  -5.051
   36    HA   LYS   6           HA       LYS   6   0.579  -8.329  -5.909
   37   1HB   LYS   6          2HB       LYS   6  -0.508  -6.173  -4.674
   38   2HB   LYS   6          3HB       LYS   6  -1.001  -5.762  -6.332
   39   1HG   LYS   6          2HG       LYS   6  -2.166  -7.907  -6.556
   40   2HG   LYS   6          3HG       LYS   6  -1.450  -8.480  -5.038
   41   1HD   LYS   6          2HD       LYS   6  -2.685  -6.230  -4.110
   42   2HD   LYS   6          3HD       LYS   6  -3.739  -6.594  -5.479
   43   1HE   LYS   6          2HE       LYS   6  -2.980  -8.953  -3.794
   44   2HE   LYS   6          3HE       LYS   6  -3.840  -7.703  -2.899
   45   1HZ   LYS   6          1HZ       LYS   6  -4.792  -8.929  -5.429
   46   2HZ   LYS   6          2HZ       LYS   6  -5.352  -9.317  -3.930
   47   3HZ   LYS   6          3HZ       LYS   6  -5.604  -7.806  -4.549
   48    H    GLU   7           H        GLU   7   1.738  -5.557  -7.657
   49    HA   GLU   7           HA       GLU   7   0.652  -6.497 -10.183
   50   1HB   GLU   7          2HB       GLU   7   1.395  -4.016  -9.354
   51   2HB   GLU   7          3HB       GLU   7   2.915  -4.533 -10.114
   52   1HG   GLU   7          2HG       GLU   7   1.611  -5.101 -12.191
   53   2HG   GLU   7          3HG       GLU   7   0.147  -4.499 -11.404
   54    H    CYS   8           H        CYS   8   3.657  -6.819  -8.312
   55    HA   CYS   8           HA       CYS   8   5.116  -7.960 -10.624
   56   1HB   CYS   8          2HB       CYS   8   5.901  -6.830  -8.222
   57   2HB   CYS   8          3HB       CYS   8   5.886  -8.537  -7.802
   58    H    TYR   9           H        TYR   9   3.383  -9.153  -7.729
   59    HA   TYR   9           HA       TYR   9   3.858 -11.927  -8.193
   60   1HB   TYR   9          2HB       TYR   9   2.853 -10.621  -6.159
   61   2HB   TYR   9          3HB       TYR   9   1.332 -10.653  -7.023
   62    HD1  TYR   9           HD1      TYR   9   0.180 -12.852  -7.516
   63    HD2  TYR   9           HD2      TYR   9   3.757 -12.566  -5.069
   64    HE1  TYR   9           HE1      TYR   9  -0.309 -15.023  -6.498
   65    HE2  TYR   9           HE2      TYR   9   3.170 -14.749  -4.075
   66    HH   TYR   9           HH       TYR   9   2.116 -16.699  -4.441
   67    H    ASP  10           H        ASP  10   1.038  -9.890  -9.109
   68    HA   ASP  10           HA       ASP  10  -0.375 -11.964 -10.492
   69   1HB   ASP  10          2HB       ASP  10  -1.059  -9.485  -9.766
   70   2HB   ASP  10          3HB       ASP  10  -0.518  -9.050 -11.377
   71    H    THR  11           H        THR  11   1.739  -9.332 -11.719
   72    HA   THR  11           HA       THR  11   1.692 -10.153 -14.422
   73    HB   THR  11           HB       THR  11   3.778  -8.515 -12.947
   74    HG1  THR  11           1HG      THR  11   1.406  -7.892 -14.430
   75   1HG2  THR  11          1HG2      THR  11   3.197  -8.911 -15.859
   76   2HG2  THR  11          2HG2      THR  11   3.860  -7.371 -15.230
   77   3HG2  THR  11          3HG2      THR  11   4.781  -8.869 -15.003
   78    H    CYS  12           H        CYS  12   4.032 -10.845 -11.795
   79    HA   CYS  12           HA       CYS  12   5.866 -12.376 -13.332
   80   1HB   CYS  12          2HB       CYS  12   6.374 -11.607 -11.058
   81   2HB   CYS  12          3HB       CYS  12   5.115 -12.701 -10.391
   82    H    HIS  13           H        HIS  13   2.865 -13.278 -11.542
   83    HA   HIS  13           HA       HIS  13   2.915 -16.039 -12.075
   84   1HB   HIS  13          2HB       HIS  13   1.162 -14.496 -10.754
   85   2HB   HIS  13          3HB       HIS  13   0.329 -14.592 -12.282
   86    HD1  HIS  13           HD1      HIS  13  -1.492 -16.281 -11.812
   87    HD2  HIS  13           HD2      HIS  13   2.255 -17.289 -10.149
   88    HE1  HIS  13           HE1      HIS  13  -1.739 -18.593 -10.662
   89    HE2  HIS  13           HE2      HIS  13   0.532 -19.281  -9.758
   90    H    LYS  14           H        LYS  14   1.864 -13.378 -14.152
   91    HA   LYS  14           HA       LYS  14   0.803 -14.994 -16.300
   92   1HB   LYS  14          2HB       LYS  14   1.374 -12.199 -15.827
   93   2HB   LYS  14          3HB       LYS  14   2.126 -12.622 -17.376
   94   1HG   LYS  14          2HG       LYS  14   0.010 -13.473 -18.185
   95   2HG   LYS  14          3HG       LYS  14  -0.732 -13.268 -16.565
   96   1HD   LYS  14          2HD       LYS  14  -0.283 -10.815 -16.687
   97   2HD   LYS  14          3HD       LYS  14   0.366 -11.051 -18.334
   98   1HE   LYS  14          2HE       LYS  14  -1.860 -12.092 -18.948
   99   2HE   LYS  14          3HE       LYS  14  -2.481 -11.607 -17.358
  100   1HZ   LYS  14          1HZ       LYS  14  -2.419  -9.388 -17.947
  101   2HZ   LYS  14          2HZ       LYS  14  -1.198  -9.574 -19.028
  102   3HZ   LYS  14          3HZ       LYS  14  -2.728 -10.033 -19.431
  103    H    GLU  15           H        GLU  15   4.031 -13.419 -16.348
  104    HA   GLU  15           HA       GLU  15   5.040 -15.122 -18.446
  105   1HB   GLU  15          2HB       GLU  15   5.993 -12.865 -17.565
  106   2HB   GLU  15          3HB       GLU  15   6.683 -13.821 -16.251
  107   1HG   GLU  15          2HG       GLU  15   7.408 -15.259 -18.593
  108   2HG   GLU  15          3HG       GLU  15   7.463 -13.601 -19.113
  109    H    CYS  16           H        CYS  16   4.578 -15.713 -15.076
  110    HA   CYS  16           HA       CYS  16   6.420 -17.873 -14.868
  111   1HB   CYS  16          2HB       CYS  16   5.596 -16.612 -12.926
  112   2HB   CYS  16          3HB       CYS  16   3.981 -17.335 -13.143
  113    H    SER  17           H        SER  17   2.840 -17.959 -14.656
  114    HA   SER  17           HA       SER  17   2.446 -20.691 -15.199
  115   1HB   SER  17          2HB       SER  17   0.781 -18.420 -14.855
  116   2HB   SER  17          3HB       SER  17   0.396 -19.025 -16.462
  117    HG   SER  17           HG       SER  17  -0.823 -20.018 -14.833
  118    H    ASP  18           H        ASP  18   3.282 -18.066 -17.436
  119    HA   ASP  18           HA       ASP  18   2.603 -19.184 -19.943
  120   1HB   ASP  18          2HB       ASP  18   3.467 -16.977 -19.957
  121   2HB   ASP  18          3HB       ASP  18   4.785 -17.427 -18.922
  122    H    LYS  19           H        LYS  19   5.312 -19.960 -17.701
  123    HA   LYS  19           HA       LYS  19   6.653 -21.640 -19.517
  124   1HB   LYS  19          2HB       LYS  19   6.817 -20.959 -16.612
  125   2HB   LYS  19          3HB       LYS  19   7.044 -22.618 -16.854
  126   1HG   LYS  19          2HG       LYS  19   8.543 -20.960 -18.842
  127   2HG   LYS  19          3HG       LYS  19   8.813 -20.412 -17.199
  128   1HD   LYS  19          2HD       LYS  19   9.223 -22.969 -16.664
  129   2HD   LYS  19          3HD       LYS  19   9.359 -23.151 -18.422
  130   1HE   LYS  19          2HE       LYS  19  10.867 -20.953 -16.972
  131   2HE   LYS  19          3HE       LYS  19  11.465 -22.617 -16.826
  132   1HZ   LYS  19          1HZ       LYS  19  12.050 -22.660 -19.016
  133   2HZ   LYS  19          2HZ       LYS  19  10.820 -21.676 -19.498
  134   3HZ   LYS  19          3HZ       LYS  19  12.158 -21.014 -18.823
  135    H    GLY  20           H        GLY  20   3.683 -22.023 -18.247
  136   1HA   GLY  20          2HA       GLY  20   2.081 -23.650 -18.564
  137   2HA   GLY  20          3HA       GLY  20   3.344 -24.696 -19.291
  138    H    ASN  21           H        ASN  21   3.909 -23.228 -16.193
  139    HA   ASN  21           HA       ASN  21   4.103 -25.860 -14.915
  140   1HB   ASN  21          2HB       ASN  21   5.067 -23.135 -14.380
  141   2HB   ASN  21          3HB       ASN  21   4.530 -23.966 -12.949
  142   1HD2  ASN  21          1HD2      ASN  21   7.202 -23.232 -14.056
  143   2HD2  ASN  21          2HD2      ASN  21   8.095 -24.786 -13.874
  144    H    GLY  22           H        GLY  22   3.326 -25.727 -12.525
  145   1HA   GLY  22          2HA       GLY  22   0.370 -25.621 -12.660
  146   2HA   GLY  22          3HA       GLY  22   1.353 -26.152 -11.243
  147    H    PHE  23           H        PHE  23  -0.806 -23.949 -12.087
  148    HA   PHE  23           HA       PHE  23  -0.150 -21.408 -11.508
  149   1HB   PHE  23          2HB       PHE  23  -2.506 -22.962 -11.399
  150   2HB   PHE  23          3HB       PHE  23  -2.393 -22.360  -9.771
  151    HD1  PHE  23           HD1      PHE  23  -3.826 -20.611  -9.377
  152    HD2  PHE  23           HD2      PHE  23  -1.661 -20.846 -13.125
  153    HE1  PHE  23           HE1      PHE  23  -4.850 -18.475 -10.099
  154    HE2  PHE  23           HE2      PHE  23  -2.686 -18.678 -13.853
  155    HZ   PHE  23           HZ       PHE  23  -4.299 -17.509 -12.329
  156    H    THR  24           H        THR  24  -0.927 -23.627  -8.857
  157    HA   THR  24           HA       THR  24  -0.196 -22.105  -6.676
  158    HB   THR  24           HB       THR  24  -0.436 -25.008  -7.246
  159    HG1  THR  24           1HG      THR  24  -2.031 -24.577  -5.933
  160   1HG2  THR  24          1HG2      THR  24   1.297 -24.016  -4.959
  161   2HG2  THR  24          2HG2      THR  24   0.411 -25.548  -4.873
  162   3HG2  THR  24          3HG2      THR  24   1.646 -25.346  -6.104
  163    H    PHE  25           H        PHE  25   2.027 -24.483  -8.217
  164    HA   PHE  25           HA       PHE  25   4.367 -23.731  -6.888
  165   1HB   PHE  25          2HB       PHE  25   4.265 -25.678  -8.335
  166   2HB   PHE  25          3HB       PHE  25   3.820 -24.693  -9.716
  167    HD1  PHE  25           HD1      PHE  25   5.384 -23.589 -11.119
  168    HD2  PHE  25           HD2      PHE  25   6.634 -25.387  -7.404
  169    HE1  PHE  25           HE1      PHE  25   7.778 -23.309 -11.776
  170    HE2  PHE  25           HE2      PHE  25   9.020 -25.154  -8.100
  171    HZ   PHE  25           HZ       PHE  25   9.568 -24.139 -10.328
  172    H    CYS  26           H        CYS  26   2.918 -22.256  -9.817
  173    HA   CYS  26           HA       CYS  26   5.024 -20.444 -10.255
  174   1HB   CYS  26          2HB       CYS  26   2.298 -20.978 -11.303
  175   2HB   CYS  26          3HB       CYS  26   2.658 -19.261 -11.176
  176    H    GLU  27           H        GLU  27   2.233 -20.392  -8.114
  177    HA   GLU  27           HA       GLU  27   2.446 -17.586  -7.401
  178   1HB   GLU  27          2HB       GLU  27   0.655 -19.900  -6.791
  179   2HB   GLU  27          3HB       GLU  27   1.206 -19.078  -5.326
  180   1HG   GLU  27          2HG       GLU  27   0.580 -16.975  -6.882
  181   2HG   GLU  27          3HG       GLU  27  -0.476 -18.095  -7.616
  182    H    MET  28           H        MET  28   2.975 -20.545  -5.411
  183    HA   MET  28           HA       MET  28   4.386 -19.341  -3.322
  184   1HB   MET  28          2HB       MET  28   4.235 -22.075  -4.552
  185   2HB   MET  28          3HB       MET  28   5.767 -21.749  -3.777
  186   1HG   MET  28          2HG       MET  28   3.912 -20.780  -1.928
  187   2HG   MET  28          3HG       MET  28   3.170 -22.249  -2.554
  188   1HE   MET  28          1HE       MET  28   3.887 -21.407   0.138
  189   2HE   MET  28          2HE       MET  28   4.415 -22.951   0.841
  190   3HE   MET  28          3HE       MET  28   5.557 -21.587   0.703
  191    H    LYS  29           H        LYS  29   5.525 -19.878  -6.544
  192    HA   LYS  29           HA       LYS  29   8.313 -19.262  -5.874
  193   1HB   LYS  29          2HB       LYS  29   7.448 -20.900  -7.779
  194   2HB   LYS  29          3HB       LYS  29   7.239 -19.411  -8.699
  195   1HG   LYS  29          2HG       LYS  29   9.469 -19.819  -9.198
  196   2HG   LYS  29          3HG       LYS  29   9.757 -19.038  -7.629
  197   1HD   LYS  29          2HD       LYS  29   9.218 -21.644  -6.835
  198   2HD   LYS  29          3HD       LYS  29   9.957 -21.923  -8.421
  199   1HE   LYS  29          2HE       LYS  29  11.991 -20.831  -7.745
  200   2HE   LYS  29          3HE       LYS  29  11.185 -20.047  -6.376
  201   1HZ   LYS  29          1HZ       LYS  29  10.777 -22.472  -5.626
  202   2HZ   LYS  29          2HZ       LYS  29  12.066 -22.838  -6.587
  203   3HZ   LYS  29          3HZ       LYS  29  12.227 -21.779  -5.326
  204    H    CYS  30           H        CYS  30   5.879 -17.773  -8.099
  205    HA   CYS  30           HA       CYS  30   7.141 -15.345  -8.541
  206   1HB   CYS  30          2HB       CYS  30   4.233 -16.141  -8.216
  207   2HB   CYS  30          3HB       CYS  30   4.678 -14.483  -8.578
  208    H    ASP  31           H        ASP  31   5.541 -16.484  -5.631
  209    HA   ASP  31           HA       ASP  31   5.242 -14.059  -4.225
  210   1HB   ASP  31          2HB       ASP  31   4.495 -16.650  -3.690
  211   2HB   ASP  31          3HB       ASP  31   5.977 -16.676  -2.810
  212    H    THR  32           H        THR  32   7.732 -16.547  -3.936
  213    HA   THR  32           HA       THR  32   9.498 -14.807  -2.424
  214    HB   THR  32           HB       THR  32   9.621 -17.619  -3.411
  215    HG1  THR  32           1HG      THR  32   9.539 -17.906  -1.317
  216   1HG2  THR  32          1HG2      THR  32  12.036 -15.962  -2.678
  217   2HG2  THR  32          2HG2      THR  32  11.963 -17.622  -2.172
  218   3HG2  THR  32          3HG2      THR  32  11.873 -17.228  -3.922
  219    H    ASP  33           H        ASP  33   8.974 -15.406  -5.795
  220    HA   ASP  33           HA       ASP  33  11.467 -14.799  -6.968
  221   1HB   ASP  33          2HB       ASP  33   9.554 -15.687  -8.289
  222   2HB   ASP  33          3HB       ASP  33   8.666 -14.202  -7.910
  223    H    CYS  34           H        CYS  34   8.662 -12.611  -6.840
  224    HA   CYS  34           HA       CYS  34  10.520 -10.299  -6.803
  225   1HB   CYS  34          2HB       CYS  34   8.234 -10.648  -8.191
  226   2HB   CYS  34          3HB       CYS  34   7.523  -9.973  -6.724
  227    H    SER  35           H        SER  35  10.811 -11.781  -4.581
  228    HA   SER  35           HA       SER  35   9.103 -10.936  -2.356
  229   1HB   SER  35          2HB       SER  35  10.390 -13.049  -2.303
  230   2HB   SER  35          3HB       SER  35  11.911 -12.135  -2.247
  231    HG   SER  35           HG       SER  35  11.576 -12.192  -0.200
  232    H    VAL  36           H        VAL  36   9.278  -8.659  -3.037
  233    HA   VAL  36           HA       VAL  36  11.648  -7.208  -2.504
  234    HB   VAL  36           HB       VAL  36   8.983  -5.862  -2.652
  235   1HG1  VAL  36          1HG1      VAL  36  11.842  -5.151  -3.082
  236   2HG1  VAL  36          2HG1      VAL  36  10.804  -4.600  -4.380
  237   3HG1  VAL  36          3HG1      VAL  36  10.435  -4.116  -2.731
  238   1HG2  VAL  36          1HG2      VAL  36  10.267  -7.407  -4.908
  239   2HG2  VAL  36          2HG2      VAL  36   8.560  -7.249  -4.416
  240   3HG2  VAL  36          3HG2      VAL  36   9.321  -5.947  -5.270
  241    H    LYS  37           H        LYS  37  10.951  -5.073  -1.080
  242    HA   LYS  37           HA       LYS  37   9.598  -5.710   1.411
  243   1HB   LYS  37          2HB       LYS  37  11.643  -5.522   2.857
  244   2HB   LYS  37          3HB       LYS  37  11.503  -7.027   1.953
  245   1HG   LYS  37          2HG       LYS  37  13.188  -6.500   0.400
  246   2HG   LYS  37          3HG       LYS  37  13.210  -4.801   0.760
  247   1HD   LYS  37          2HD       LYS  37  14.656  -4.951   2.410
  248   2HD   LYS  37          3HD       LYS  37  13.742  -6.245   3.202
  249   1HE   LYS  37          2HE       LYS  37  14.719  -7.623   1.071
  250   2HE   LYS  37          3HE       LYS  37  16.015  -6.425   1.244
  251   1HZ   LYS  37          1HZ       LYS  37  16.543  -7.263   3.323
  252   2HZ   LYS  37          2HZ       LYS  37  15.013  -7.794   3.631
  253   3HZ   LYS  37          3HZ       LYS  37  15.979  -8.662   2.633
  254    H    ASP  38           H        ASP  38   8.495  -3.831   1.319
  255    HA   ASP  38           HA       ASP  38   9.972  -1.394   1.985
  256   1HB   ASP  38          2HB       ASP  38   9.856  -1.759  -0.682
  257   2HB   ASP  38          3HB       ASP  38   8.189  -1.236  -0.453
  258    H    VAL  39           H        VAL  39   8.764  -0.534   3.528
  259    HA   VAL  39           HA       VAL  39   5.793  -0.684   3.278
  260    HB   VAL  39           HB       VAL  39   6.944  -2.338   4.931
  261   1HG1  VAL  39          1HG1      VAL  39   6.784  -0.288   7.080
  262   2HG1  VAL  39          2HG1      VAL  39   7.919  -1.652   6.893
  263   3HG1  VAL  39          3HG1      VAL  39   8.163  -0.134   6.030
  264   1HG2  VAL  39          1HG2      VAL  39   4.790  -0.953   6.442
  265   2HG2  VAL  39          2HG2      VAL  39   4.408  -1.268   4.765
  266   3HG2  VAL  39          3HG2      VAL  39   4.895  -2.611   5.798
  267    H    LYS  40           H        LYS  40   7.248   1.370   2.320
  268    HA   LYS  40           HA       LYS  40   7.965   3.466   4.016
  269   1HB   LYS  40          2HB       LYS  40   6.550   3.602   1.321
  270   2HB   LYS  40          3HB       LYS  40   7.335   4.985   2.097
  271   1HG   LYS  40          2HG       LYS  40   9.037   2.496   1.762
  272   2HG   LYS  40          3HG       LYS  40   8.559   3.383   0.307
  273   1HD   LYS  40          2HD       LYS  40  10.645   4.217   0.957
  274   2HD   LYS  40          3HD       LYS  40   9.446   5.473   1.353
  275   1HE   LYS  40          2HE       LYS  40   9.453   4.807   3.704
  276   2HE   LYS  40          3HE       LYS  40  10.499   3.416   3.347
  277   1HZ   LYS  40          1HZ       LYS  40  11.293   5.988   4.002
  278   2HZ   LYS  40          2HZ       LYS  40  12.266   4.745   3.480
  279   3HZ   LYS  40          3HZ       LYS  40  11.638   5.818   2.404
  280    H    GLU  41           H        GLU  41   7.020   4.802   5.361
  281    HA   GLU  41           HA       GLU  41   4.279   4.245   6.078
  282   1HB   GLU  41          2HB       GLU  41   6.559   5.411   7.335
  283   2HB   GLU  41          3HB       GLU  41   5.401   6.737   7.218
  284   1HG   GLU  41          2HG       GLU  41   4.398   4.026   8.148
  285   2HG   GLU  41          3HG       GLU  41   5.391   4.974   9.243
  286    H    LYS  42           H        LYS  42   2.586   5.058   5.204
  287    HA   LYS  42           HA       LYS  42   2.732   7.167   3.188
  288   1HB   LYS  42          2HB       LYS  42   0.799   5.071   3.973
  289   2HB   LYS  42          3HB       LYS  42  -0.025   6.596   3.872
  290   1HG   LYS  42          2HG       LYS  42   1.303   6.893   1.602
  291   2HG   LYS  42          3HG       LYS  42   1.453   5.135   1.698
  292   1HD   LYS  42          2HD       LYS  42  -0.778   4.801   1.274
  293   2HD   LYS  42          3HD       LYS  42  -1.318   6.183   2.224
  294   1HE   LYS  42          2HE       LYS  42   0.138   6.586  -0.394
  295   2HE   LYS  42          3HE       LYS  42  -1.618   6.306  -0.346
  296   1HZ   LYS  42          1HZ       LYS  42  -0.500   8.746  -0.075
  297   2HZ   LYS  42          2HZ       LYS  42  -1.976   8.354   0.548
  298   3HZ   LYS  42          3HZ       LYS  42  -0.642   8.323   1.497
  299    H    LEU  43           H        LEU  43   3.796   8.465   5.053
  300    HA   LEU  43           HA       LEU  43   2.113  10.685   5.544
  301   1HB   LEU  43          2HB       LEU  43   1.188   9.793   7.458
  302   2HB   LEU  43          3HB       LEU  43   2.427   8.573   7.620
  303    HG   LEU  43           HG       LEU  43   4.007  10.368   8.525
  304   1HD1  LEU  43          1HD1      LEU  43   1.452  11.879   9.164
  305   2HD1  LEU  43          2HD1      LEU  43   3.149  12.440   9.181
  306   3HD1  LEU  43          3HD1      LEU  43   2.271  12.222   7.658
  307   1HD2  LEU  43          1HD2      LEU  43   2.905   8.637   9.850
  308   2HD2  LEU  43          2HD2      LEU  43   3.222  10.124  10.728
  309   3HD2  LEU  43          3HD2      LEU  43   1.554   9.729  10.171
  310    H    GLU  44           H        GLU  44   3.309  12.415   5.929
  311    HA   GLU  44           HA       GLU  44   5.913  12.492   6.981
  312   1HB   GLU  44          2HB       GLU  44   6.223  11.372   4.498
  313   2HB   GLU  44          3HB       GLU  44   6.077  13.001   3.969
  314   1HG   GLU  44          2HG       GLU  44   8.372  12.695   4.327
  315   2HG   GLU  44          3HG       GLU  44   7.883  13.542   5.804
  316    H    ASN  45           H        ASN  45   4.191  14.033   7.867
  317    HA   ASN  45           HA       ASN  45   4.941  16.680   7.240
  318   1HB   ASN  45          2HB       ASN  45   2.947  15.721   5.370
  319   2HB   ASN  45          3HB       ASN  45   2.078  16.721   6.508
  320   1HD2  ASN  45          1HD2      ASN  45   2.641  18.910   6.734
  321   2HD2  ASN  45          2HD2      ASN  45   3.618  19.672   5.429
  322    H    TYR  46           H        TYR  46   4.250  18.049   8.841
  323    HA   TYR  46           HA       TYR  46   1.865  17.573  10.426
  324   1HB   TYR  46          2HB       TYR  46   3.238  15.698  11.300
  325   2HB   TYR  46          3HB       TYR  46   4.591  16.797  11.531
  326    HD1  TYR  46           HD1      TYR  46   0.970  17.476  12.380
  327    HD2  TYR  46           HD2      TYR  46   4.925  16.471  13.840
  328    HE1  TYR  46           HE1      TYR  46   0.214  17.860  14.705
  329    HE2  TYR  46           HE2      TYR  46   4.142  16.844  16.169
  330    HH   TYR  46           HH       TYR  46   2.355  17.290  17.472
  331    H    LYS  47           H        LYS  47   1.349  19.690  10.634
  332    HA   LYS  47           HA       LYS  47   2.954  21.405  12.275
  333   1HB   LYS  47          2HB       LYS  47   3.521  21.526   9.416
  334   2HB   LYS  47          3HB       LYS  47   2.818  23.049   9.965
  335   1HG   LYS  47          2HG       LYS  47   4.512  22.807  11.998
  336   2HG   LYS  47          3HG       LYS  47   5.349  21.664  10.951
  337   1HD   LYS  47          2HD       LYS  47   4.580  24.197   9.611
  338   2HD   LYS  47          3HD       LYS  47   5.664  24.417  10.984
  339   1HE   LYS  47          2HE       LYS  47   7.393  23.199  10.027
  340   2HE   LYS  47          3HE       LYS  47   6.305  22.208   9.042
  341   1HZ   LYS  47          1HZ       LYS  47   6.648  23.619   7.363
  342   2HZ   LYS  47          2HZ       LYS  47   5.976  24.842   8.226
  343   3HZ   LYS  47          3HZ       LYS  47   7.597  24.601   8.291
  344    HA   PRO  48           HA       PRO  48  -1.547  22.204  12.182
  345   1HB   PRO  48          2HB       PRO  48  -1.781  22.367  14.995
  346   2HB   PRO  48          3HB       PRO  48  -1.998  20.892  13.991
  347   1HG   PRO  48          2HG       PRO  48   0.263  21.620  15.790
  348   2HG   PRO  48          3HG       PRO  48  -0.248  20.014  15.174
  349   1HD   PRO  48          2HD       PRO  48   1.892  21.680  14.237
  350   2HD   PRO  48          3HD       PRO  48   1.341  20.128  13.544
  351    H    LYS  49           H        LYS  49  -2.716  24.089  12.963
  352    HA   LYS  49           HA       LYS  49  -1.415  26.489  12.459
  353   1HB   LYS  49          2HB       LYS  49  -4.020  25.837  12.810
  354   2HB   LYS  49          3HB       LYS  49  -3.749  26.484  14.432
  355   1HG   LYS  49          2HG       LYS  49  -2.839  28.042  11.982
  356   2HG   LYS  49          3HG       LYS  49  -4.544  28.050  12.417
  357   1HD   LYS  49          2HD       LYS  49  -4.215  29.150  14.439
  358   2HD   LYS  49          3HD       LYS  49  -2.550  28.687  14.607
  359   1HE   LYS  49          2HE       LYS  49  -1.786  30.531  13.668
  360   2HE   LYS  49          3HE       LYS  49  -2.641  30.134  12.171
  361   1HZ   LYS  49          1HZ       LYS  49  -4.598  31.038  13.828
  362   2HZ   LYS  49          2HZ       LYS  49  -3.334  32.028  14.186
  363   3HZ   LYS  49          3HZ       LYS  49  -3.889  31.924  12.632
  364    H    ASN  50           H        ASN  50  -0.199  27.910  13.541
  365    HA   ASN  50           HA       ASN  50   0.012  28.229  16.381
  366   1HB   ASN  50          2HB       ASN  50   2.288  27.333  16.536
  367   2HB   ASN  50          3HB       ASN  50   1.175  26.023  16.200
  368   1HD2  ASN  50          1HD2      ASN  50   4.077  26.397  15.749
  369   2HD2  ASN  50          2HD2      ASN  50   4.262  26.071  13.996
  Start of MODEL   15
    1   1H    ASP   1           H1       ASP   1   1.785  -0.476   0.687
    2   2H    ASP   1           H2       ASP   1   0.378  -0.361  -0.170
    3   3H    ASP   1           H3       ASP   1   1.197   1.008   0.308
    4    HA   ASP   1           HA       ASP   1   1.474  -0.410  -2.069
    5   1HB   ASP   1          2HB       ASP   1   1.922   2.156  -1.017
    6   2HB   ASP   1          3HB       ASP   1   3.525   1.618  -1.482
    7    H    GLU   2           H        GLU   2   2.602  -1.847   0.555
    8    HA   GLU   2           HA       GLU   2   4.279  -3.161   1.072
    9   1HB   GLU   2          2HB       GLU   2   4.221  -3.177  -1.830
   10   2HB   GLU   2          3HB       GLU   2   5.889  -3.228  -1.323
   11   1HG   GLU   2          2HG       GLU   2   3.756  -5.009  -0.147
   12   2HG   GLU   2          3HG       GLU   2   4.676  -5.425  -1.604
   13    H    ALA   3           H        ALA   3   6.090  -1.155  -1.238
   14    HA   ALA   3           HA       ALA   3   8.404  -0.789   0.284
   15   1HB   ALA   3          1HB       ALA   3   8.605  -0.020  -1.885
   16   2HB   ALA   3          2HB       ALA   3   7.015   0.807  -1.860
   17   3HB   ALA   3          3HB       ALA   3   8.405   1.518  -1.012
   18    H    GLN   4           H        GLN   4   5.563   1.406   0.199
   19    HA   GLN   4           HA       GLN   4   6.305   3.286   2.064
   20   1HB   GLN   4          2HB       GLN   4   3.604   1.904   1.713
   21   2HB   GLN   4          3HB       GLN   4   3.850   3.299   2.771
   22   1HG   GLN   4          2HG       GLN   4   4.864   4.500   0.741
   23   2HG   GLN   4          3HG       GLN   4   4.204   3.208  -0.247
   24   1HE2  GLN   4          1HE2      GLN   4   3.624   6.236   0.586
   25   2HE2  GLN   4          2HE2      GLN   4   1.856   6.232   0.630
   26    H    PHE   5           H        PHE   5   5.578  -0.041   2.789
   27    HA   PHE   5           HA       PHE   5   5.634   0.293   5.739
   28   1HB   PHE   5          2HB       PHE   5   4.008  -1.258   4.351
   29   2HB   PHE   5          3HB       PHE   5   5.429  -2.239   4.014
   30    HD1  PHE   5           HD1      PHE   5   3.079  -1.223   6.556
   31    HD2  PHE   5           HD2      PHE   5   6.686  -3.462   5.739
   32    HE1  PHE   5           HE1      PHE   5   2.821  -2.452   8.663
   33    HE2  PHE   5           HE2      PHE   5   6.393  -4.689   7.886
   34    HZ   PHE   5           HZ       PHE   5   4.516  -4.142   9.379
   35    H    LYS   6           H        LYS   6   7.440  -1.244   2.973
   36    HA   LYS   6           HA       LYS   6   9.486  -2.469   4.574
   37   1HB   LYS   6          2HB       LYS   6   8.924  -2.177   1.782
   38   2HB   LYS   6          3HB       LYS   6  10.545  -1.508   2.029
   39   1HG   LYS   6          2HG       LYS   6  11.072  -3.669   3.327
   40   2HG   LYS   6          3HG       LYS   6   9.493  -4.262   2.783
   41   1HD   LYS   6          2HD       LYS   6  10.730  -5.094   1.046
   42   2HD   LYS   6          3HD       LYS   6  10.460  -3.476   0.385
   43   1HE   LYS   6          2HE       LYS   6  12.670  -2.830   1.663
   44   2HE   LYS   6          3HE       LYS   6  12.907  -4.570   1.837
   45   1HZ   LYS   6          1HZ       LYS   6  12.376  -4.403  -0.756
   46   2HZ   LYS   6          2HZ       LYS   6  13.071  -2.926  -0.544
   47   3HZ   LYS   6          3HZ       LYS   6  13.911  -4.287  -0.153
   48    H    GLU   7           H        GLU   7   8.981   0.838   3.625
   49    HA   GLU   7           HA       GLU   7  11.626   1.641   4.489
   50   1HB   GLU   7          2HB       GLU   7   9.490   2.870   2.972
   51   2HB   GLU   7          3HB       GLU   7   9.732   3.843   4.411
   52   1HG   GLU   7          2HG       GLU   7  12.363   3.394   3.629
   53   2HG   GLU   7          3HG       GLU   7  11.527   3.380   2.078
   54    H    CYS   8           H        CYS   8   8.407   1.340   5.909
   55    HA   CYS   8           HA       CYS   8   9.126   2.913   8.281
   56   1HB   CYS   8          2HB       CYS   8   6.733   2.140   7.175
   57   2HB   CYS   8          3HB       CYS   8   6.974   0.849   8.339
   58    H    TYR   9           H        TYR   9   8.910  -0.549   7.374
   59    HA   TYR   9           HA       TYR   9   9.675  -1.597   9.896
   60   1HB   TYR   9          2HB       TYR   9   8.733  -2.708   7.715
   61   2HB   TYR   9          3HB       TYR   9  10.383  -2.724   7.139
   62    HD1  TYR   9           HD1      TYR   9  12.164  -4.019   8.473
   63    HD2  TYR   9           HD2      TYR   9   7.925  -4.340   9.241
   64    HE1  TYR   9           HE1      TYR   9  12.514  -6.177   9.560
   65    HE2  TYR   9           HE2      TYR   9   8.327  -6.539  10.307
   66    HH   TYR   9           HH       TYR   9  10.881  -8.362  10.032
   67    H    ASP  10           H        ASP  10  11.674  -0.896   6.997
   68    HA   ASP  10           HA       ASP  10  14.158  -1.654   8.159
   69   1HB   ASP  10          2HB       ASP  10  13.468  -1.030   5.663
   70   2HB   ASP  10          3HB       ASP  10  13.942   0.598   6.120
   71    H    THR  11           H        THR  11  12.670   1.567   7.716
   72    HA   THR  11           HA       THR  11  14.641   3.040   9.094
   73    HB   THR  11           HB       THR  11  11.719   3.720   8.660
   74    HG1  THR  11           1HG      THR  11  12.442   3.805   6.695
   75   1HG2  THR  11          1HG2      THR  11  12.236   5.957   8.915
   76   2HG2  THR  11          2HG2      THR  11  13.123   5.218  10.270
   77   3HG2  THR  11          3HG2      THR  11  13.990   5.680   8.779
   78    H    CYS  12           H        CYS  12  11.505   1.680  10.232
   79    HA   CYS  12           HA       CYS  12  11.615   2.640  12.884
   80   1HB   CYS  12          2HB       CYS  12   9.640   1.648  11.795
   81   2HB   CYS  12          3HB       CYS  12  10.341   0.028  11.950
   82    H    HIS  13           H        HIS  13  12.939  -0.353  11.354
   83    HA   HIS  13           HA       HIS  13  14.104  -1.512  13.636
   84   1HB   HIS  13          2HB       HIS  13  14.015  -2.287  11.081
   85   2HB   HIS  13          3HB       HIS  13  15.609  -1.564  11.083
   86    HD1  HIS  13           HD1      HIS  13  17.470  -3.033  12.030
   87    HD2  HIS  13           HD2      HIS  13  13.543  -4.335  12.936
   88    HE1  HIS  13           HE1      HIS  13  17.693  -5.348  13.088
   89    HE2  HIS  13           HE2      HIS  13  15.282  -6.152  13.587
   90    H    LYS  14           H        LYS  14  15.354   1.068  11.556
   91    HA   LYS  14           HA       LYS  14  17.896   1.267  12.756
   92   1HB   LYS  14          2HB       LYS  14  16.588   2.614  10.767
   93   2HB   LYS  14          3HB       LYS  14  16.435   3.814  12.022
   94   1HG   LYS  14          2HG       LYS  14  19.168   2.662  11.912
   95   2HG   LYS  14          3HG       LYS  14  18.663   3.295  10.363
   96   1HD   LYS  14          2HD       LYS  14  18.891   5.428  11.034
   97   2HD   LYS  14          3HD       LYS  14  17.970   5.203  12.515
   98   1HE   LYS  14          2HE       LYS  14  20.808   4.174  12.278
   99   2HE   LYS  14          3HE       LYS  14  20.451   5.847  12.735
  100   1HZ   LYS  14          1HZ       LYS  14  20.102   5.099  14.818
  101   2HZ   LYS  14          2HZ       LYS  14  18.810   4.244  14.310
  102   3HZ   LYS  14          3HZ       LYS  14  20.263   3.524  14.372
  103    H    GLU  15           H        GLU  15  15.070   3.322  13.662
  104    HA   GLU  15           HA       GLU  15  16.277   4.206  16.146
  105   1HB   GLU  15          2HB       GLU  15  14.357   5.287  14.769
  106   2HB   GLU  15          3HB       GLU  15  13.324   4.066  15.534
  107   1HG   GLU  15          2HG       GLU  15  14.168   4.940  17.799
  108   2HG   GLU  15          3HG       GLU  15  15.063   6.171  16.915
  109    H    CYS  16           H        CYS  16  14.837   1.226  15.209
  110    HA   CYS  16           HA       CYS  16  13.945   0.482  17.820
  111   1HB   CYS  16          2HB       CYS  16  13.088  -0.449  15.637
  112   2HB   CYS  16          3HB       CYS  16  14.560  -1.434  15.574
  113    H    SER  17           H        SER  17  16.565  -0.851  15.736
  114    HA   SER  17           HA       SER  17  17.968  -2.323  17.653
  115   1HB   SER  17          2HB       SER  17  18.380  -1.530  14.952
  116   2HB   SER  17          3HB       SER  17  19.760  -0.880  15.830
  117    HG   SER  17           HG       SER  17  18.896  -3.585  15.929
  118    H    ASP  18           H        ASP  18  17.793   1.186  17.235
  119    HA   ASP  18           HA       ASP  18  20.072   2.070  18.666
  120   1HB   ASP  18          2HB       ASP  18  18.742   3.744  17.636
  121   2HB   ASP  18          3HB       ASP  18  17.273   3.067  18.307
  122    H    LYS  19           H        LYS  19  16.990   0.650  19.844
  123    HA   LYS  19           HA       LYS  19  17.437   1.243  22.550
  124   1HB   LYS  19          2HB       LYS  19  15.525  -0.359  20.936
  125   2HB   LYS  19          3HB       LYS  19  15.970  -1.210  22.330
  126   1HG   LYS  19          2HG       LYS  19  15.448   1.669  22.869
  127   2HG   LYS  19          3HG       LYS  19  14.123   0.949  21.994
  128   1HD   LYS  19          2HD       LYS  19  13.432  -0.284  23.769
  129   2HD   LYS  19          3HD       LYS  19  15.061  -0.797  24.206
  130   1HE   LYS  19          2HE       LYS  19  14.697   2.068  24.698
  131   2HE   LYS  19          3HE       LYS  19  13.480   1.107  25.547
  132   1HZ   LYS  19          1HZ       LYS  19  16.415   0.645  25.655
  133   2HZ   LYS  19          2HZ       LYS  19  15.538   1.364  26.850
  134   3HZ   LYS  19          3HZ       LYS  19  15.303  -0.227  26.485
  135    H    GLY  20           H        GLY  20  19.194  -0.697  20.560
  136   1HA   GLY  20          2HA       GLY  20  21.102  -1.904  20.952
  137   2HA   GLY  20          3HA       GLY  20  20.816  -1.769  22.703
  138    H    ASN  21           H        ASN  21  18.167  -2.851  20.766
  139    HA   ASN  21           HA       ASN  21  18.241  -5.478  22.047
  140   1HB   ASN  21          2HB       ASN  21  16.225  -3.781  20.755
  141   2HB   ASN  21          3HB       ASN  21  16.072  -5.462  20.311
  142   1HD2  ASN  21          1HD2      ASN  21  14.561  -3.589  22.126
  143   2HD2  ASN  21          2HD2      ASN  21  14.353  -4.601  23.580
  144    H    GLY  22           H        GLY  22  17.335  -7.235  20.442
  145   1HA   GLY  22          2HA       GLY  22  19.475  -7.630  18.431
  146   2HA   GLY  22          3HA       GLY  22  18.247  -8.832  18.919
  147    H    PHE  23           H        PHE  23  19.180  -7.828  16.250
  148    HA   PHE  23           HA       PHE  23  17.324  -6.296  14.943
  149   1HB   PHE  23          2HB       PHE  23  18.158  -7.335  12.934
  150   2HB   PHE  23          3HB       PHE  23  19.506  -7.354  14.063
  151    HD1  PHE  23           HD1      PHE  23  19.842  -9.592  15.411
  152    HD2  PHE  23           HD2      PHE  23  17.295  -9.318  11.933
  153    HE1  PHE  23           HE1      PHE  23  19.896 -12.059  15.145
  154    HE2  PHE  23           HE2      PHE  23  17.332 -11.730  11.684
  155    HZ   PHE  23           HZ       PHE  23  18.671 -13.137  13.256
  156    H    THR  24           H        THR  24  17.161  -9.802  15.465
  157    HA   THR  24           HA       THR  24  14.778 -10.312  14.144
  158    HB   THR  24           HB       THR  24  16.377 -11.606  16.285
  159    HG1  THR  24           1HG      THR  24  16.530 -12.971  14.673
  160   1HG2  THR  24          1HG2      THR  24  14.353 -12.060  17.460
  161   2HG2  THR  24          2HG2      THR  24  13.428 -12.218  15.940
  162   3HG2  THR  24          3HG2      THR  24  14.581 -13.471  16.428
  163    H    PHE  25           H        PHE  25  14.981  -9.906  17.703
  164    HA   PHE  25           HA       PHE  25  12.263  -9.676  18.214
  165   1HB   PHE  25          2HB       PHE  25  13.895  -9.824  20.000
  166   2HB   PHE  25          3HB       PHE  25  14.726  -8.371  19.433
  167    HD1  PHE  25           HD1      PHE  25  14.090  -6.195  20.133
  168    HD2  PHE  25           HD2      PHE  25  11.528  -9.546  20.969
  169    HE1  PHE  25           HE1      PHE  25  12.698  -4.767  21.637
  170    HE2  PHE  25           HE2      PHE  25  10.180  -8.129  22.511
  171    HZ   PHE  25           HZ       PHE  25  10.804  -5.745  22.871
  172    H    CYS  26           H        CYS  26  14.561  -7.031  17.332
  173    HA   CYS  26           HA       CYS  26  12.620  -4.991  17.453
  174   1HB   CYS  26          2HB       CYS  26  15.414  -5.306  16.557
  175   2HB   CYS  26          3HB       CYS  26  14.504  -4.229  15.547
  176    H    GLU  27           H        GLU  27  13.456  -7.375  14.962
  177    HA   GLU  27           HA       GLU  27  12.107  -6.123  12.773
  178   1HB   GLU  27          2HB       GLU  27  13.610  -8.609  13.291
  179   2HB   GLU  27          3HB       GLU  27  12.141  -8.985  12.455
  180   1HG   GLU  27          2HG       GLU  27  12.895  -8.057  10.537
  181   2HG   GLU  27          3HG       GLU  27  13.547  -6.616  11.374
  182    H    MET  28           H        MET  28  11.194  -8.995  14.710
  183    HA   MET  28           HA       MET  28   8.511  -9.109  13.788
  184   1HB   MET  28          2HB       MET  28   9.960  -9.969  16.305
  185   2HB   MET  28          3HB       MET  28   8.202 -10.102  16.269
  186   1HG   MET  28          2HG       MET  28   8.195 -11.790  14.745
  187   2HG   MET  28          3HG       MET  28   9.576 -11.165  13.853
  188   1HE   MET  28          1HE       MET  28   9.373 -13.379  17.714
  189   2HE   MET  28          2HE       MET  28   8.094 -13.024  16.530
  190   3HE   MET  28          3HE       MET  28   9.072 -14.496  16.357
  191    H    LYS  29           H        LYS  29   9.995  -7.007  16.182
  192    HA   LYS  29           HA       LYS  29   7.439  -6.075  17.218
  193   1HB   LYS  29          2HB       LYS  29   9.753  -6.108  18.433
  194   2HB   LYS  29          3HB       LYS  29  10.078  -4.612  17.560
  195   1HG   LYS  29          2HG       LYS  29   7.609  -5.180  19.282
  196   2HG   LYS  29          3HG       LYS  29   9.093  -4.449  19.896
  197   1HD   LYS  29          2HD       LYS  29   8.569  -2.827  17.695
  198   2HD   LYS  29          3HD       LYS  29   6.934  -3.269  18.184
  199   1HE   LYS  29          2HE       LYS  29   8.741  -2.543  20.424
  200   2HE   LYS  29          3HE       LYS  29   8.588  -1.253  19.220
  201   1HZ   LYS  29          1HZ       LYS  29   6.266  -1.257  19.464
  202   2HZ   LYS  29          2HZ       LYS  29   6.247  -2.619  20.381
  203   3HZ   LYS  29          3HZ       LYS  29   6.872  -1.201  20.996
  204    H    CYS  30           H        CYS  30  10.005  -4.426  15.340
  205    HA   CYS  30           HA       CYS  30   8.700  -2.109  14.602
  206   1HB   CYS  30          2HB       CYS  30  10.630  -3.938  13.166
  207   2HB   CYS  30          3HB       CYS  30  10.118  -2.443  12.424
  208    H    ASP  31           H        ASP  31   8.241  -5.446  13.432
  209    HA   ASP  31           HA       ASP  31   6.737  -4.962  11.131
  210   1HB   ASP  31          2HB       ASP  31   7.662  -7.217  12.357
  211   2HB   ASP  31          3HB       ASP  31   6.063  -7.257  13.014
  212    H    THR  32           H        THR  32   5.591  -5.763  14.407
  213    HA   THR  32           HA       THR  32   2.845  -4.993  13.796
  214    HB   THR  32           HB       THR  32   4.350  -6.026  16.199
  215    HG1  THR  32           1HG      THR  32   1.941  -6.583  14.849
  216   1HG2  THR  32          1HG2      THR  32   1.537  -4.876  16.339
  217   2HG2  THR  32          2HG2      THR  32   2.327  -5.864  17.599
  218   3HG2  THR  32          3HG2      THR  32   2.949  -4.249  17.223
  219    H    ASP  33           H        ASP  33   5.660  -3.289  14.875
  220    HA   ASP  33           HA       ASP  33   4.546  -1.150  16.312
  221   1HB   ASP  33          2HB       ASP  33   6.972  -1.483  16.138
  222   2HB   ASP  33          3HB       ASP  33   6.893  -1.193  14.407
  223    H    CYS  34           H        CYS  34   5.656  -0.938  12.931
  224    HA   CYS  34           HA       CYS  34   3.801   1.234  12.430
  225   1HB   CYS  34          2HB       CYS  34   6.223   0.950  11.517
  226   2HB   CYS  34          3HB       CYS  34   5.493  -0.131  10.320
  227    H    SER  35           H        SER  35   2.312  -0.673  13.084
  228    HA   SER  35           HA       SER  35   0.501  -1.159  10.993
  229   1HB   SER  35          2HB       SER  35   2.569  -2.964  10.822
  230   2HB   SER  35          3HB       SER  35   1.406  -3.924  11.673
  231    HG   SER  35           HG       SER  35   1.353  -3.730   9.288
  232    H    VAL  36           H        VAL  36   0.102  -0.180  13.548
  233    HA   VAL  36           HA       VAL  36  -0.527  -1.990  15.592
  234    HB   VAL  36           HB       VAL  36  -0.372   0.620  15.575
  235   1HG1  VAL  36          1HG1      VAL  36  -3.348   0.754  15.694
  236   2HG1  VAL  36          2HG1      VAL  36  -2.170   1.895  15.017
  237   3HG1  VAL  36          3HG1      VAL  36  -2.689   0.503  14.081
  238   1HG2  VAL  36          1HG2      VAL  36  -1.266  -1.244  17.474
  239   2HG2  VAL  36          2HG2      VAL  36  -0.773   0.422  17.751
  240   3HG2  VAL  36          3HG2      VAL  36  -2.482   0.034  17.532
  241    H    LYS  37           H        LYS  37  -3.123  -1.442  16.251
  242    HA   LYS  37           HA       LYS  37  -5.081  -1.914  14.332
  243   1HB   LYS  37          2HB       LYS  37  -3.502  -4.304  14.623
  244   2HB   LYS  37          3HB       LYS  37  -4.949  -4.611  15.542
  245   1HG   LYS  37          2HG       LYS  37  -6.244  -3.743  13.462
  246   2HG   LYS  37          3HG       LYS  37  -4.700  -3.779  12.592
  247   1HD   LYS  37          2HD       LYS  37  -4.520  -6.100  12.680
  248   2HD   LYS  37          3HD       LYS  37  -5.515  -6.235  14.132
  249   1HE   LYS  37          2HE       LYS  37  -7.051  -5.039  11.943
  250   2HE   LYS  37          3HE       LYS  37  -6.340  -6.576  11.438
  251   1HZ   LYS  37          1HZ       LYS  37  -8.051  -7.496  12.553
  252   2HZ   LYS  37          2HZ       LYS  37  -7.287  -7.076  13.944
  253   3HZ   LYS  37          3HZ       LYS  37  -8.444  -6.095  13.336
  254    H    ASP  38           H        ASP  38  -4.029  -2.724  17.611
  255    HA   ASP  38           HA       ASP  38  -6.390  -1.473  18.708
  256   1HB   ASP  38          2HB       ASP  38  -6.845  -4.074  18.129
  257   2HB   ASP  38          3HB       ASP  38  -5.849  -4.335  19.565
  258    H    VAL  39           H        VAL  39  -6.150  -1.174  21.000
  259    HA   VAL  39           HA       VAL  39  -3.599  -1.974  22.261
  260    HB   VAL  39           HB       VAL  39  -4.356   0.955  21.858
  261   1HG1  VAL  39          1HG1      VAL  39  -2.029  -0.383  23.333
  262   2HG1  VAL  39          2HG1      VAL  39  -2.136   1.364  22.971
  263   3HG1  VAL  39          3HG1      VAL  39  -3.303   0.619  24.051
  264   1HG2  VAL  39          1HG2      VAL  39  -2.221   1.113  20.584
  265   2HG2  VAL  39          2HG2      VAL  39  -2.035  -0.659  20.723
  266   3HG2  VAL  39          3HG2      VAL  39  -3.377   0.059  19.810
  267    H    LYS  40           H        LYS  40  -5.291  -3.213  23.309
  268    HA   LYS  40           HA       LYS  40  -7.423  -2.240  24.711
  269   1HB   LYS  40          2HB       LYS  40  -6.316  -4.678  24.537
  270   2HB   LYS  40          3HB       LYS  40  -5.654  -4.260  26.114
  271   1HG   LYS  40          2HG       LYS  40  -8.622  -3.869  25.508
  272   2HG   LYS  40          3HG       LYS  40  -8.022  -5.478  25.875
  273   1HD   LYS  40          2HD       LYS  40  -7.535  -3.111  27.710
  274   2HD   LYS  40          3HD       LYS  40  -8.945  -4.100  27.867
  275   1HE   LYS  40          2HE       LYS  40  -6.111  -5.236  27.835
  276   2HE   LYS  40          3HE       LYS  40  -6.842  -4.622  29.319
  277   1HZ   LYS  40          1HZ       LYS  40  -8.108  -6.460  29.462
  278   2HZ   LYS  40          2HZ       LYS  40  -8.606  -6.338  27.903
  279   3HZ   LYS  40          3HZ       LYS  40  -7.209  -7.132  28.242
  280    H    GLU  41           H        GLU  41  -7.846  -1.100  26.537
  281    HA   GLU  41           HA       GLU  41  -5.886   0.689  27.438
  282   1HB   GLU  41          2HB       GLU  41  -8.535   0.625  27.596
  283   2HB   GLU  41          3HB       GLU  41  -8.245  -0.034  29.202
  284   1HG   GLU  41          2HG       GLU  41  -7.206   1.899  29.993
  285   2HG   GLU  41          3HG       GLU  41  -6.652   2.411  28.406
  286    H    LYS  42           H        LYS  42  -4.702   0.845  29.328
  287    HA   LYS  42           HA       LYS  42  -3.789  -1.712  30.379
  288   1HB   LYS  42          2HB       LYS  42  -2.449   0.543  29.912
  289   2HB   LYS  42          3HB       LYS  42  -2.944   0.984  31.537
  290   1HG   LYS  42          2HG       LYS  42  -1.745  -1.759  30.998
  291   2HG   LYS  42          3HG       LYS  42  -0.684  -0.360  31.089
  292   1HD   LYS  42          2HD       LYS  42  -1.099   0.023  33.357
  293   2HD   LYS  42          3HD       LYS  42  -2.670  -0.734  33.335
  294   1HE   LYS  42          2HE       LYS  42  -1.701  -2.418  34.358
  295   2HE   LYS  42          3HE       LYS  42  -1.311  -2.934  32.717
  296   1HZ   LYS  42          1HZ       LYS  42   0.550  -2.670  34.547
  297   2HZ   LYS  42          2HZ       LYS  42   0.876  -2.272  32.972
  298   3HZ   LYS  42          3HZ       LYS  42   0.511  -1.100  34.066
  299    H    LEU  43           H        LEU  43  -5.935  -2.298  31.079
  300    HA   LEU  43           HA       LEU  43  -7.451  -1.161  33.053
  301   1HB   LEU  43          2HB       LEU  43  -7.177  -3.768  31.871
  302   2HB   LEU  43          3HB       LEU  43  -7.217  -4.039  33.595
  303    HG   LEU  43           HG       LEU  43  -9.288  -2.201  32.356
  304   1HD1  LEU  43          1HD1      LEU  43 -10.723  -4.039  31.795
  305   2HD1  LEU  43          2HD1      LEU  43  -9.200  -4.212  30.919
  306   3HD1  LEU  43          3HD1      LEU  43  -9.522  -5.228  32.356
  307   1HD2  LEU  43          1HD2      LEU  43 -10.300  -4.079  34.322
  308   2HD2  LEU  43          2HD2      LEU  43  -8.837  -3.337  34.969
  309   3HD2  LEU  43          3HD2      LEU  43 -10.162  -2.315  34.428
  310    H    GLU  44           H        GLU  44  -7.587  -1.347  35.350
  311    HA   GLU  44           HA       GLU  44  -5.048  -2.047  36.709
  312   1HB   GLU  44          2HB       GLU  44  -5.068   0.009  37.938
  313   2HB   GLU  44          3HB       GLU  44  -5.093   0.378  36.220
  314   1HG   GLU  44          2HG       GLU  44  -7.827   0.311  36.790
  315   2HG   GLU  44          3HG       GLU  44  -7.176   0.790  38.351
  316    H    ASN  45           H        ASN  45  -5.310  -2.280  39.009
  317    HA   ASN  45           HA       ASN  45  -8.041  -2.707  39.997
  318   1HB   ASN  45          2HB       ASN  45  -6.006  -4.930  39.528
  319   2HB   ASN  45          3HB       ASN  45  -7.174  -5.029  40.841
  320   1HD2  ASN  45          1HD2      ASN  45  -9.030  -6.003  40.420
  321   2HD2  ASN  45          2HD2      ASN  45  -9.699  -6.136  38.773
  322    H    TYR  46           H        TYR  46  -8.112  -1.999  42.034
  323    HA   TYR  46           HA       TYR  46  -5.992  -2.509  43.924
  324   1HB   TYR  46          2HB       TYR  46  -5.346  -0.445  42.291
  325   2HB   TYR  46          3HB       TYR  46  -6.451   0.426  43.319
  326    HD1  TYR  46           HD1      TYR  46  -3.260  -1.436  43.102
  327    HD2  TYR  46           HD2      TYR  46  -5.803   0.971  45.627
  328    HE1  TYR  46           HE1      TYR  46  -1.376  -1.121  44.719
  329    HE2  TYR  46           HE2      TYR  46  -3.932   1.232  47.256
  330    HH   TYR  46           HH       TYR  46  -1.017  -0.582  47.061
  331    H    LYS  47           H        LYS  47  -6.457  -1.102  45.953
  332    HA   LYS  47           HA       LYS  47  -9.406  -0.783  46.304
  333   1HB   LYS  47          2HB       LYS  47  -7.583  -2.534  47.747
  334   2HB   LYS  47          3HB       LYS  47  -8.266  -1.345  48.850
  335   1HG   LYS  47          2HG       LYS  47  -9.953  -2.907  48.918
  336   2HG   LYS  47          3HG       LYS  47 -10.551  -1.891  47.622
  337   1HD   LYS  47          2HD       LYS  47  -8.900  -3.705  46.244
  338   2HD   LYS  47          3HD       LYS  47  -9.521  -4.683  47.569
  339   1HE   LYS  47          2HE       LYS  47 -11.631  -3.029  46.357
  340   2HE   LYS  47          3HE       LYS  47 -10.799  -3.957  45.112
  341   1HZ   LYS  47          1HZ       LYS  47 -11.562  -5.364  47.557
  342   2HZ   LYS  47          2HZ       LYS  47 -12.773  -4.983  46.511
  343   3HZ   LYS  47          3HZ       LYS  47 -11.515  -5.922  46.015
  344    HA   PRO  48           HA       PRO  48  -7.501   3.249  47.058
  345   1HB   PRO  48          2HB       PRO  48  -9.527   4.714  45.792
  346   2HB   PRO  48          3HB       PRO  48  -8.024   4.124  45.024
  347   1HG   PRO  48          2HG       PRO  48 -10.799   3.109  44.706
  348   2HG   PRO  48          3HG       PRO  48  -9.374   2.895  43.641
  349   1HD   PRO  48          2HD       PRO  48 -10.464   1.020  45.508
  350   2HD   PRO  48          3HD       PRO  48  -8.983   0.878  44.518
  351    H    LYS  49           H        LYS  49  -8.259   4.994  48.369
  352    HA   LYS  49           HA       LYS  49  -9.718   4.170  50.628
  353   1HB   LYS  49          2HB       LYS  49  -8.109   6.220  50.259
  354   2HB   LYS  49          3HB       LYS  49  -9.579   7.096  49.794
  355   1HG   LYS  49          2HG       LYS  49 -10.584   6.687  51.973
  356   2HG   LYS  49          3HG       LYS  49  -9.310   5.529  52.404
  357   1HD   LYS  49          2HD       LYS  49  -7.633   7.386  52.277
  358   2HD   LYS  49          3HD       LYS  49  -8.958   8.519  51.960
  359   1HE   LYS  49          2HE       LYS  49  -9.229   8.756  54.176
  360   2HE   LYS  49          3HE       LYS  49  -9.833   7.099  54.223
  361   1HZ   LYS  49          1HZ       LYS  49  -7.936   7.482  55.740
  362   2HZ   LYS  49          2HZ       LYS  49  -7.591   6.324  54.618
  363   3HZ   LYS  49          3HZ       LYS  49  -6.969   7.836  54.454
  364    H    ASN  50           H        ASN  50 -11.781   4.962  51.448
  365    HA   ASN  50           HA       ASN  50 -13.855   4.956  49.330
  366   1HB   ASN  50          2HB       ASN  50 -14.022   3.128  51.007
  367   2HB   ASN  50          3HB       ASN  50 -14.015   4.334  52.312
  368   1HD2  ASN  50          1HD2      ASN  50 -15.709   3.688  49.271
  369   2HD2  ASN  50          2HD2      ASN  50 -17.288   4.150  49.912
  Start of MODEL   16
    1   1H    ASP   1           H1       ASP   1   0.692  -0.714   0.032
    2   2H    ASP   1           H2       ASP   1   0.857   0.918   0.134
    3   3H    ASP   1           H3       ASP   1   1.994  -0.061   0.828
    4    HA   ASP   1           HA       ASP   1   1.971   0.929  -1.776
    5   1HB   ASP   1          2HB       ASP   1   3.874  -1.244  -0.904
    6   2HB   ASP   1          3HB       ASP   1   4.172   0.191  -1.904
    7    H    GLU   2           H        GLU   2   1.898  -2.450  -0.599
    8    HA   GLU   2           HA       GLU   2   0.766  -3.340  -3.228
    9   1HB   GLU   2          2HB       GLU   2   3.127  -4.163  -1.722
   10   2HB   GLU   2          3HB       GLU   2   2.002  -5.499  -1.822
   11   1HG   GLU   2          2HG       GLU   2   2.458  -3.955  -4.368
   12   2HG   GLU   2          3HG       GLU   2   3.791  -4.931  -3.756
   13    H    ALA   3           H        ALA   3   0.981  -4.360   0.226
   14    HA   ALA   3           HA       ALA   3  -1.220  -6.037   0.205
   15   1HB   ALA   3          1HB       ALA   3  -0.465  -4.126   2.446
   16   2HB   ALA   3          2HB       ALA   3  -1.434  -5.603   2.600
   17   3HB   ALA   3          3HB       ALA   3   0.293  -5.725   2.153
   18    H    GLN   4           H        GLN   4  -1.366  -2.541   0.891
   19    HA   GLN   4           HA       GLN   4  -4.041  -2.111   1.260
   20   1HB   GLN   4          2HB       GLN   4  -3.681   0.118   0.654
   21   2HB   GLN   4          3HB       GLN   4  -2.052  -0.430   1.065
   22   1HG   GLN   4          2HG       GLN   4  -1.759  -0.925  -1.451
   23   2HG   GLN   4          3HG       GLN   4  -3.268  -0.021  -1.709
   24   1HE2  GLN   4          1HE2      GLN   4  -0.930   0.702  -2.977
   25   2HE2  GLN   4          2HE2      GLN   4  -0.433   2.239  -2.247
   26    H    PHE   5           H        PHE   5  -2.581  -3.029  -1.785
   27    HA   PHE   5           HA       PHE   5  -5.001  -2.685  -3.432
   28   1HB   PHE   5          2HB       PHE   5  -2.540  -2.091  -4.148
   29   2HB   PHE   5          3HB       PHE   5  -2.251  -3.830  -4.134
   30    HD1  PHE   5           HD1      PHE   5  -3.620  -1.117  -5.979
   31    HD2  PHE   5           HD2      PHE   5  -3.637  -5.430  -5.561
   32    HE1  PHE   5           HE1      PHE   5  -4.436  -1.369  -8.277
   33    HE2  PHE   5           HE2      PHE   5  -4.521  -5.640  -7.857
   34    HZ   PHE   5           HZ       PHE   5  -4.997  -3.615  -9.191
   35    H    LYS   6           H        LYS   6  -2.716  -5.213  -2.203
   36    HA   LYS   6           HA       LYS   6  -4.086  -7.474  -3.352
   37   1HB   LYS   6          2HB       LYS   6  -1.770  -7.483  -2.246
   38   2HB   LYS   6          3HB       LYS   6  -2.625  -7.413  -0.692
   39   1HG   LYS   6          2HG       LYS   6  -3.893  -9.541  -1.518
   40   2HG   LYS   6          3HG       LYS   6  -2.635  -9.646  -2.756
   41   1HD   LYS   6          2HD       LYS   6  -0.934  -9.933  -1.040
   42   2HD   LYS   6          3HD       LYS   6  -2.060  -9.425   0.232
   43   1HE   LYS   6          2HE       LYS   6  -2.189 -11.673   0.551
   44   2HE   LYS   6          3HE       LYS   6  -3.547 -11.435  -0.546
   45   1HZ   LYS   6          1HZ       LYS   6  -0.993 -11.923  -1.823
   46   2HZ   LYS   6          2HZ       LYS   6  -1.606 -13.207  -0.980
   47   3HZ   LYS   6          3HZ       LYS   6  -2.473 -12.520  -2.199
   48    H    GLU   7           H        GLU   7  -4.818  -5.512  -0.553
   49    HA   GLU   7           HA       GLU   7  -6.871  -7.337   0.370
   50   1HB   GLU   7          2HB       GLU   7  -5.520  -5.544   1.763
   51   2HB   GLU   7          3HB       GLU   7  -6.756  -4.423   1.175
   52   1HG   GLU   7          2HG       GLU   7  -8.436  -5.396   2.446
   53   2HG   GLU   7          3HG       GLU   7  -7.766  -7.018   2.308
   54    H    CYS   8           H        CYS   8  -6.690  -4.550  -1.791
   55    HA   CYS   8           HA       CYS   8  -9.615  -4.213  -1.916
   56   1HB   CYS   8          2HB       CYS   8  -7.469  -2.612  -2.547
   57   2HB   CYS   8          3HB       CYS   8  -7.822  -3.306  -4.114
   58    H    TYR   9           H        TYR   9  -7.033  -5.752  -3.887
   59    HA   TYR   9           HA       TYR   9  -8.743  -6.725  -5.929
   60   1HB   TYR   9          2HB       TYR   9  -6.146  -6.625  -5.707
   61   2HB   TYR   9          3HB       TYR   9  -6.260  -8.111  -4.787
   62    HD1  TYR   9           HD1      TYR   9  -7.156 -10.228  -5.914
   63    HD2  TYR   9           HD2      TYR   9  -6.410  -6.531  -8.060
   64    HE1  TYR   9           HE1      TYR   9  -6.982 -11.480  -8.048
   65    HE2  TYR   9           HE2      TYR   9  -6.213  -7.835 -10.132
   66    HH   TYR   9           HH       TYR   9  -5.805 -10.906 -10.616
   67    H    ASP  10           H        ASP  10  -7.550  -8.402  -2.988
   68    HA   ASP  10           HA       ASP  10  -9.003 -10.818  -3.439
   69   1HB   ASP  10          2HB       ASP  10  -7.106 -10.164  -1.687
   70   2HB   ASP  10          3HB       ASP  10  -8.450  -9.767  -0.630
   71    H    THR  11           H        THR  11  -9.736  -8.025  -1.382
   72    HA   THR  11           HA       THR  11 -12.303  -8.916  -0.512
   73    HB   THR  11           HB       THR  11 -11.255  -6.077  -0.670
   74    HG1  THR  11           1HG      THR  11  -9.971  -6.995   0.651
   75   1HG2  THR  11          1HG2      THR  11 -12.897  -6.513   1.623
   76   2HG2  THR  11          2HG2      THR  11 -13.105  -5.376   0.281
   77   3HG2  THR  11          3HG2      THR  11 -13.825  -7.007   0.191
   78    H    CYS  12           H        CYS  12 -11.349  -6.723  -3.220
   79    HA   CYS  12           HA       CYS  12 -13.977  -6.143  -4.145
   80   1HB   CYS  12          2HB       CYS  12 -11.932  -4.926  -4.867
   81   2HB   CYS  12          3HB       CYS  12 -11.442  -6.337  -5.821
   82    H    HIS  13           H        HIS  13 -11.668  -8.821  -4.902
   83    HA   HIS  13           HA       HIS  13 -13.272 -10.206  -6.761
   84   1HB   HIS  13          2HB       HIS  13 -10.836 -10.728  -5.759
   85   2HB   HIS  13          3HB       HIS  13 -11.776 -11.775  -4.731
   86    HD1  HIS  13           HD1      HIS  13 -11.583 -14.085  -5.724
   87    HD2  HIS  13           HD2      HIS  13 -11.781 -11.010  -8.590
   88    HE1  HIS  13           HE1      HIS  13 -11.520 -15.257  -8.057
   89    HE2  HIS  13           HE2      HIS  13 -11.664 -13.327  -9.814
   90    H    LYS  14           H        LYS  14 -13.455 -10.227  -3.246
   91    HA   LYS  14           HA       LYS  14 -15.445 -12.290  -3.020
   92   1HB   LYS  14          2HB       LYS  14 -14.099 -11.192  -1.133
   93   2HB   LYS  14          3HB       LYS  14 -15.222  -9.844  -1.260
   94   1HG   LYS  14          2HG       LYS  14 -16.859 -12.176  -1.139
   95   2HG   LYS  14          3HG       LYS  14 -15.577 -12.386   0.045
   96   1HD   LYS  14          2HD       LYS  14 -16.442  -9.683   0.428
   97   2HD   LYS  14          3HD       LYS  14 -17.905 -10.547  -0.009
   98   1HE   LYS  14          2HE       LYS  14 -17.923 -10.959   2.242
   99   2HE   LYS  14          3HE       LYS  14 -16.923 -12.334   1.745
  100   1HZ   LYS  14          1HZ       LYS  14 -14.946 -10.988   2.229
  101   2HZ   LYS  14          2HZ       LYS  14 -15.864  -9.700   2.632
  102   3HZ   LYS  14          3HZ       LYS  14 -15.885 -11.045   3.581
  103    H    GLU  15           H        GLU  15 -16.136  -8.756  -2.798
  104    HA   GLU  15           HA       GLU  15 -18.968  -9.043  -3.314
  105   1HB   GLU  15          2HB       GLU  15 -17.806  -7.053  -2.257
  106   2HB   GLU  15          3HB       GLU  15 -17.189  -6.631  -3.852
  107   1HG   GLU  15          2HG       GLU  15 -20.115  -7.139  -3.872
  108   2HG   GLU  15          3HG       GLU  15 -19.681  -5.933  -2.697
  109    H    CYS  16           H        CYS  16 -16.242  -9.062  -5.446
  110    HA   CYS  16           HA       CYS  16 -17.692  -8.465  -7.809
  111   1HB   CYS  16          2HB       CYS  16 -15.258  -8.236  -7.616
  112   2HB   CYS  16          3HB       CYS  16 -15.094  -9.999  -7.571
  113    H    SER  17           H        SER  17 -16.152 -11.565  -6.869
  114    HA   SER  17           HA       SER  17 -17.579 -13.286  -8.609
  115   1HB   SER  17          2HB       SER  17 -15.649 -13.605  -6.549
  116   2HB   SER  17          3HB       SER  17 -17.036 -14.536  -6.027
  117    HG   SER  17           HG       SER  17 -16.595 -15.936  -7.497
  118    H    ASP  18           H        ASP  18 -18.624 -11.770  -5.598
  119    HA   ASP  18           HA       ASP  18 -20.869 -13.338  -4.850
  120   1HB   ASP  18          2HB       ASP  18 -20.278 -11.565  -3.392
  121   2HB   ASP  18          3HB       ASP  18 -20.161 -10.441  -4.712
  122    H    LYS  19           H        LYS  19 -20.473 -10.951  -7.528
  123    HA   LYS  19           HA       LYS  19 -23.184 -10.919  -8.258
  124   1HB   LYS  19          2HB       LYS  19 -20.592  -9.975  -9.366
  125   2HB   LYS  19          3HB       LYS  19 -21.557 -10.606 -10.602
  126   1HG   LYS  19          2HG       LYS  19 -23.063  -8.883  -8.691
  127   2HG   LYS  19          3HG       LYS  19 -21.644  -8.069  -9.299
  128   1HD   LYS  19          2HD       LYS  19 -22.491  -7.854 -11.423
  129   2HD   LYS  19          3HD       LYS  19 -23.197  -9.478 -11.427
  130   1HE   LYS  19          2HE       LYS  19 -25.119  -8.258 -11.418
  131   2HE   LYS  19          3HE       LYS  19 -24.880  -8.591  -9.699
  132   1HZ   LYS  19          1HZ       LYS  19 -24.686  -6.055 -11.097
  133   2HZ   LYS  19          2HZ       LYS  19 -25.088  -6.352  -9.518
  134   3HZ   LYS  19          3HZ       LYS  19 -23.520  -6.323  -9.966
  135    H    GLY  20           H        GLY  20 -21.171 -13.458  -8.296
  136   1HA   GLY  20          2HA       GLY  20 -21.504 -15.670  -8.873
  137   2HA   GLY  20          3HA       GLY  20 -22.993 -15.218  -9.733
  138    H    ASN  21           H        ASN  21 -20.064 -13.505 -10.423
  139    HA   ASN  21           HA       ASN  21 -20.079 -14.462 -13.198
  140   1HB   ASN  21          2HB       ASN  21 -19.022 -12.131 -11.753
  141   2HB   ASN  21          3HB       ASN  21 -17.940 -12.749 -12.971
  142   1HD2  ASN  21          1HD2      ASN  21 -19.786 -10.355 -12.757
  143   2HD2  ASN  21          2HD2      ASN  21 -20.553 -10.386 -14.369
  144    H    GLY  22           H        GLY  22 -17.755 -14.629 -14.092
  145   1HA   GLY  22          2HA       GLY  22 -16.549 -17.033 -12.861
  146   2HA   GLY  22          3HA       GLY  22 -16.012 -16.243 -14.370
  147    H    PHE  23           H        PHE  23 -14.521 -17.213 -11.985
  148    HA   PHE  23           HA       PHE  23 -13.513 -15.215 -10.358
  149   1HB   PHE  23          2HB       PHE  23 -11.811 -17.419 -11.624
  150   2HB   PHE  23          3HB       PHE  23 -11.606 -16.664 -10.058
  151    HD1  PHE  23           HD1      PHE  23 -13.575 -17.011  -8.337
  152    HD2  PHE  23           HD2      PHE  23 -13.017 -19.382 -11.911
  153    HE1  PHE  23           HE1      PHE  23 -14.950 -18.825  -7.357
  154    HE2  PHE  23           HE2      PHE  23 -14.401 -21.184 -10.932
  155    HZ   PHE  23           HZ       PHE  23 -15.360 -20.912  -8.652
  156    H    THR  24           H        THR  24 -11.973 -16.349 -13.373
  157    HA   THR  24           HA       THR  24  -9.945 -14.499 -13.654
  158    HB   THR  24           HB       THR  24 -11.499 -16.223 -15.502
  159    HG1  THR  24           1HG      THR  24  -9.454 -16.927 -15.850
  160   1HG2  THR  24          1HG2      THR  24 -11.665 -14.490 -17.062
  161   2HG2  THR  24          2HG2      THR  24 -10.135 -13.730 -16.572
  162   3HG2  THR  24          3HG2      THR  24 -10.120 -15.223 -17.501
  163    H    PHE  25           H        PHE  25 -13.141 -14.117 -15.249
  164    HA   PHE  25           HA       PHE  25 -12.810 -11.471 -16.102
  165   1HB   PHE  25          2HB       PHE  25 -14.735 -12.774 -16.757
  166   2HB   PHE  25          3HB       PHE  25 -15.199 -13.038 -15.072
  167    HD1  PHE  25           HD1      PHE  25 -16.539 -11.495 -13.854
  168    HD2  PHE  25           HD2      PHE  25 -14.920 -10.374 -17.681
  169    HE1  PHE  25           HE1      PHE  25 -17.988  -9.487 -13.876
  170    HE2  PHE  25           HE2      PHE  25 -16.432  -8.401 -17.739
  171    HZ   PHE  25           HZ       PHE  25 -18.010  -7.988 -15.836
  172    H    CYS  26           H        CYS  26 -14.019 -12.605 -12.880
  173    HA   CYS  26           HA       CYS  26 -14.384 -10.018 -11.881
  174   1HB   CYS  26          2HB       CYS  26 -14.369 -12.806 -10.861
  175   2HB   CYS  26          3HB       CYS  26 -13.748 -11.666  -9.716
  176    H    GLU  27           H        GLU  27 -11.516 -12.014 -12.153
  177    HA   GLU  27           HA       GLU  27  -9.823 -10.455 -10.398
  178   1HB   GLU  27          2HB       GLU  27  -9.637 -12.926 -12.038
  179   2HB   GLU  27          3HB       GLU  27  -8.290 -11.847 -12.352
  180   1HG   GLU  27          2HG       GLU  27  -8.410 -11.727  -9.639
  181   2HG   GLU  27          3HG       GLU  27  -9.117 -13.277  -9.859
  182    H    MET  28           H        MET  28  -9.646 -10.912 -13.947
  183    HA   MET  28           HA       MET  28  -7.999  -8.767 -14.569
  184   1HB   MET  28          2HB       MET  28  -9.883 -10.505 -15.966
  185   2HB   MET  28          3HB       MET  28 -10.097  -8.874 -16.570
  186   1HG   MET  28          2HG       MET  28  -7.939  -8.696 -17.348
  187   2HG   MET  28          3HG       MET  28  -7.314  -9.996 -16.320
  188   1HE   MET  28          1HE       MET  28  -8.263  -9.870 -20.396
  189   2HE   MET  28          2HE       MET  28  -7.094  -9.159 -19.261
  190   3HE   MET  28          3HE       MET  28  -6.775 -10.756 -19.972
  191    H    LYS  29           H        LYS  29 -11.323  -8.638 -13.596
  192    HA   LYS  29           HA       LYS  29 -11.628  -5.809 -14.303
  193   1HB   LYS  29          2HB       LYS  29 -13.514  -7.666 -14.295
  194   2HB   LYS  29          3HB       LYS  29 -13.583  -7.337 -12.577
  195   1HG   LYS  29          2HG       LYS  29 -14.880  -5.497 -13.098
  196   2HG   LYS  29          3HG       LYS  29 -13.458  -4.773 -13.852
  197   1HD   LYS  29          2HD       LYS  29 -14.107  -6.414 -15.880
  198   2HD   LYS  29          3HD       LYS  29 -15.714  -6.311 -15.132
  199   1HE   LYS  29          2HE       LYS  29 -15.799  -3.944 -15.498
  200   2HE   LYS  29          3HE       LYS  29 -14.038  -3.842 -15.657
  201   1HZ   LYS  29          1HZ       LYS  29 -15.925  -4.907 -17.658
  202   2HZ   LYS  29          2HZ       LYS  29 -14.808  -3.709 -17.835
  203   3HZ   LYS  29          3HZ       LYS  29 -14.314  -5.264 -17.697
  204    H    CYS  30           H        CYS  30 -11.845  -7.640 -11.200
  205    HA   CYS  30           HA       CYS  30 -11.698  -5.556  -9.381
  206   1HB   CYS  30          2HB       CYS  30 -10.540  -8.347  -9.367
  207   2HB   CYS  30          3HB       CYS  30 -10.436  -7.301  -7.971
  208    H    ASP  31           H        ASP  31  -9.146  -6.932 -11.370
  209    HA   ASP  31           HA       ASP  31  -6.863  -5.793 -10.164
  210   1HB   ASP  31          2HB       ASP  31  -7.213  -7.549 -12.237
  211   2HB   ASP  31          3HB       ASP  31  -7.102  -6.112 -13.188
  212    H    THR  32           H        THR  32  -8.644  -4.712 -13.024
  213    HA   THR  32           HA       THR  32  -7.388  -2.066 -12.943
  214    HB   THR  32           HB       THR  32  -9.359  -3.495 -14.714
  215    HG1  THR  32           1HG      THR  32  -7.115  -1.841 -14.959
  216   1HG2  THR  32          1HG2      THR  32  -9.750  -1.411 -16.034
  217   2HG2  THR  32          2HG2      THR  32 -10.577  -1.394 -14.462
  218   3HG2  THR  32          3HG2      THR  32  -9.078  -0.460 -14.688
  219    H    ASP  33           H        ASP  33 -10.201  -3.441 -11.438
  220    HA   ASP  33           HA       ASP  33 -11.891  -1.226 -11.083
  221   1HB   ASP  33          2HB       ASP  33 -12.575  -3.531 -10.510
  222   2HB   ASP  33          3HB       ASP  33 -11.299  -3.584  -9.288
  223    H    CYS  34           H        CYS  34  -9.783  -2.615  -8.584
  224    HA   CYS  34           HA       CYS  34  -9.566  -0.036  -7.231
  225   1HB   CYS  34          2HB       CYS  34  -8.451  -2.800  -6.647
  226   2HB   CYS  34          3HB       CYS  34  -8.041  -1.377  -5.696
  227    H    SER  35           H        SER  35  -8.633   0.365  -9.611
  228    HA   SER  35           HA       SER  35  -5.828   1.049  -9.148
  229   1HB   SER  35          2HB       SER  35  -6.310  -1.287 -10.531
  230   2HB   SER  35          3HB       SER  35  -5.974  -0.173 -11.844
  231    HG   SER  35           HG       SER  35  -3.998  -0.507 -11.265
  232    H    VAL  36           H        VAL  36  -6.764   3.178  -9.336
  233    HA   VAL  36           HA       VAL  36  -8.284   4.168 -11.473
  234    HB   VAL  36           HB       VAL  36  -7.651   5.206  -9.167
  235   1HG1  VAL  36          1HG1      VAL  36  -5.116   5.386 -10.128
  236   2HG1  VAL  36          2HG1      VAL  36  -5.707   6.987 -10.588
  237   3HG1  VAL  36          3HG1      VAL  36  -5.764   6.463  -8.896
  238   1HG2  VAL  36          1HG2      VAL  36  -8.997   6.842  -9.800
  239   2HG2  VAL  36          2HG2      VAL  36  -7.823   7.538 -10.921
  240   3HG2  VAL  36          3HG2      VAL  36  -8.910   6.248 -11.452
  241    H    LYS  37           H        LYS  37  -6.957   6.334 -12.422
  242    HA   LYS  37           HA       LYS  37  -4.449   5.654 -13.616
  243   1HB   LYS  37          2HB       LYS  37  -6.709   4.494 -14.961
  244   2HB   LYS  37          3HB       LYS  37  -6.209   5.831 -15.968
  245   1HG   LYS  37          2HG       LYS  37  -3.768   4.825 -15.528
  246   2HG   LYS  37          3HG       LYS  37  -4.668   3.355 -15.109
  247   1HD   LYS  37          2HD       LYS  37  -5.590   3.164 -17.294
  248   2HD   LYS  37          3HD       LYS  37  -5.284   4.868 -17.666
  249   1HE   LYS  37          2HE       LYS  37  -3.602   3.915 -18.867
  250   2HE   LYS  37          3HE       LYS  37  -2.778   4.342 -17.365
  251   1HZ   LYS  37          1HZ       LYS  37  -3.943   1.745 -17.220
  252   2HZ   LYS  37          2HZ       LYS  37  -2.904   1.826 -18.488
  253   3HZ   LYS  37          3HZ       LYS  37  -2.387   2.167 -16.956
  254    H    ASP  38           H        ASP  38  -3.799   7.642 -12.913
  255    HA   ASP  38           HA       ASP  38  -4.617   9.881 -14.628
  256   1HB   ASP  38          2HB       ASP  38  -5.996   9.659 -12.270
  257   2HB   ASP  38          3HB       ASP  38  -4.537  10.435 -11.669
  258    H    VAL  39           H        VAL  39  -2.826  10.904 -15.198
  259    HA   VAL  39           HA       VAL  39  -0.468  11.012 -13.359
  260    HB   VAL  39           HB       VAL  39  -0.434  10.032 -16.218
  261   1HG1  VAL  39          1HG1      VAL  39   1.658  11.488 -14.737
  262   2HG1  VAL  39          2HG1      VAL  39   2.235   9.921 -15.312
  263   3HG1  VAL  39          3HG1      VAL  39   1.534  11.073 -16.449
  264   1HG2  VAL  39          1HG2      VAL  39   1.099   8.458 -14.248
  265   2HG2  VAL  39          2HG2      VAL  39  -0.574   8.546 -13.822
  266   3HG2  VAL  39          3HG2      VAL  39  -0.150   7.960 -15.421
  267    H    LYS  40           H        LYS  40  -1.578  13.042 -13.059
  268    HA   LYS  40           HA       LYS  40  -1.983  15.061 -14.881
  269   1HB   LYS  40          2HB       LYS  40  -1.590  16.673 -13.119
  270   2HB   LYS  40          3HB       LYS  40  -2.383  15.237 -12.456
  271   1HG   LYS  40          2HG       LYS  40   0.055  14.442 -11.852
  272   2HG   LYS  40          3HG       LYS  40   0.528  16.122 -12.142
  273   1HD   LYS  40          2HD       LYS  40  -1.738  15.349 -10.278
  274   2HD   LYS  40          3HD       LYS  40  -0.056  15.371  -9.740
  275   1HE   LYS  40          2HE       LYS  40   0.054  17.594  -9.611
  276   2HE   LYS  40          3HE       LYS  40  -0.669  17.826 -11.203
  277   1HZ   LYS  40          1HZ       LYS  40  -2.473  16.973  -9.079
  278   2HZ   LYS  40          2HZ       LYS  40  -1.936  18.527  -8.987
  279   3HZ   LYS  40          3HZ       LYS  40  -2.747  18.001 -10.325
  280    H    GLU  41           H        GLU  41  -0.862  16.131 -16.340
  281    HA   GLU  41           HA       GLU  41   1.770  15.372 -16.975
  282   1HB   GLU  41          2HB       GLU  41  -0.090  16.645 -18.368
  283   2HB   GLU  41          3HB       GLU  41   0.729  18.097 -17.760
  284   1HG   GLU  41          2HG       GLU  41   2.910  17.093 -18.645
  285   2HG   GLU  41          3HG       GLU  41   1.953  15.793 -19.350
  286    H    LYS  42           H        LYS  42   3.753  16.491 -16.802
  287    HA   LYS  42           HA       LYS  42   4.177  17.789 -14.200
  288   1HB   LYS  42          2HB       LYS  42   5.836  16.210 -15.157
  289   2HB   LYS  42          3HB       LYS  42   6.091  17.303 -16.532
  290   1HG   LYS  42          2HG       LYS  42   6.878  19.086 -14.952
  291   2HG   LYS  42          3HG       LYS  42   6.586  17.988 -13.591
  292   1HD   LYS  42          2HD       LYS  42   8.286  16.420 -14.553
  293   2HD   LYS  42          3HD       LYS  42   8.501  17.530 -15.921
  294   1HE   LYS  42          2HE       LYS  42  10.270  18.124 -14.524
  295   2HE   LYS  42          3HE       LYS  42   9.048  19.355 -14.184
  296   1HZ   LYS  42          1HZ       LYS  42   8.885  18.628 -12.079
  297   2HZ   LYS  42          2HZ       LYS  42   8.782  17.046 -12.519
  298   3HZ   LYS  42          3HZ       LYS  42  10.256  17.756 -12.332
  299    H    LEU  43           H        LEU  43   2.674  19.452 -14.581
  300    HA   LEU  43           HA       LEU  43   2.659  21.448 -16.429
  301   1HB   LEU  43          2HB       LEU  43   1.621  22.848 -14.927
  302   2HB   LEU  43          3HB       LEU  43   1.159  21.256 -14.366
  303    HG   LEU  43           HG       LEU  43   3.545  22.622 -13.021
  304   1HD1  LEU  43          1HD1      LEU  43   1.267  24.083 -13.207
  305   2HD1  LEU  43          2HD1      LEU  43   1.079  23.220 -11.660
  306   3HD1  LEU  43          3HD1      LEU  43   2.532  24.190 -12.006
  307   1HD2  LEU  43          1HD2      LEU  43   3.060  20.305 -12.444
  308   2HD2  LEU  43          2HD2      LEU  43   2.767  21.395 -11.084
  309   3HD2  LEU  43          3HD2      LEU  43   1.389  20.757 -12.030
  310    H    GLU  44           H        GLU  44   3.767  23.323 -16.895
  311    HA   GLU  44           HA       GLU  44   5.823  24.546 -15.468
  312   1HB   GLU  44          2HB       GLU  44   6.723  21.943 -16.518
  313   2HB   GLU  44          3HB       GLU  44   7.534  23.188 -17.399
  314   1HG   GLU  44          2HG       GLU  44   7.378  23.618 -14.411
  315   2HG   GLU  44          3HG       GLU  44   8.333  22.257 -14.968
  316    H    ASN  45           H        ASN  45   5.252  23.299 -18.718
  317    HA   ASN  45           HA       ASN  45   6.219  25.324 -20.318
  318   1HB   ASN  45          2HB       ASN  45   4.360  24.832 -21.862
  319   2HB   ASN  45          3HB       ASN  45   5.152  23.362 -21.300
  320   1HD2  ASN  45          1HD2      ASN  45   2.822  22.894 -22.405
  321   2HD2  ASN  45          2HD2      ASN  45   1.635  22.637 -21.112
  322    H    TYR  46           H        TYR  46   5.815  27.396 -20.764
  323    HA   TYR  46           HA       TYR  46   3.262  28.641 -20.281
  324   1HB   TYR  46          2HB       TYR  46   3.701  29.843 -18.315
  325   2HB   TYR  46          3HB       TYR  46   4.265  28.263 -17.878
  326    HD1  TYR  46           HD1      TYR  46   6.909  27.783 -18.528
  327    HD2  TYR  46           HD2      TYR  46   5.075  31.616 -17.736
  328    HE1  TYR  46           HE1      TYR  46   9.098  28.673 -17.933
  329    HE2  TYR  46           HE2      TYR  46   7.319  32.525 -17.130
  330    HH   TYR  46           HH       TYR  46   9.663  31.086 -16.194
  331    H    LYS  47           H        LYS  47   3.428  30.965 -20.601
  332    HA   LYS  47           HA       LYS  47   5.829  31.720 -22.193
  333   1HB   LYS  47          2HB       LYS  47   4.448  32.991 -23.699
  334   2HB   LYS  47          3HB       LYS  47   3.953  31.316 -23.699
  335   1HG   LYS  47          2HG       LYS  47   1.856  31.789 -22.941
  336   2HG   LYS  47          3HG       LYS  47   2.447  32.830 -21.669
  337   1HD   LYS  47          2HD       LYS  47   2.933  34.490 -23.769
  338   2HD   LYS  47          3HD       LYS  47   1.588  33.561 -24.439
  339   1HE   LYS  47          2HE       LYS  47   1.405  34.584 -21.593
  340   2HE   LYS  47          3HE       LYS  47   1.398  35.788 -22.870
  341   1HZ   LYS  47          1HZ       LYS  47  -0.769  35.314 -23.122
  342   2HZ   LYS  47          2HZ       LYS  47  -0.342  33.853 -23.731
  343   3HZ   LYS  47          3HZ       LYS  47  -0.694  33.986 -22.136
  344    HA   PRO  48           HA       PRO  48   6.166  35.140 -19.496
  345   1HB   PRO  48          2HB       PRO  48   7.480  36.986 -21.146
  346   2HB   PRO  48          3HB       PRO  48   8.231  35.600 -20.311
  347   1HG   PRO  48          2HG       PRO  48   7.583  35.923 -23.195
  348   2HG   PRO  48          3HG       PRO  48   8.780  34.848 -22.403
  349   1HD   PRO  48          2HD       PRO  48   6.188  34.191 -23.381
  350   2HD   PRO  48          3HD       PRO  48   7.329  33.130 -22.498
  351    H    LYS  49           H        LYS  49   5.941  37.671 -19.654
  352    HA   LYS  49           HA       LYS  49   3.564  38.436 -21.225
  353   1HB   LYS  49          2HB       LYS  49   2.962  37.513 -18.841
  354   2HB   LYS  49          3HB       LYS  49   3.588  39.045 -18.236
  355   1HG   LYS  49          2HG       LYS  49   1.566  38.955 -20.520
  356   2HG   LYS  49          3HG       LYS  49   1.021  38.757 -18.862
  357   1HD   LYS  49          2HD       LYS  49   2.816  41.098 -19.474
  358   2HD   LYS  49          3HD       LYS  49   1.176  41.175 -20.051
  359   1HE   LYS  49          2HE       LYS  49   1.358  40.171 -17.257
  360   2HE   LYS  49          3HE       LYS  49   2.112  41.734 -17.430
  361   1HZ   LYS  49          1HZ       LYS  49  -0.210  41.995 -16.948
  362   2HZ   LYS  49          2HZ       LYS  49   0.160  42.619 -18.425
  363   3HZ   LYS  49          3HZ       LYS  49  -0.626  41.173 -18.325
  364    H    ASN  50           H        ASN  50   5.695  39.791 -18.663
  365    HA   ASN  50           HA       ASN  50   6.927  41.717 -20.365
  366   1HB   ASN  50          2HB       ASN  50   5.897  43.699 -19.327
  367   2HB   ASN  50          3HB       ASN  50   4.737  42.764 -20.249
  368   1HD2  ASN  50          1HD2      ASN  50   3.435  44.318 -18.875
  369   2HD2  ASN  50          2HD2      ASN  50   3.025  43.653 -17.265
  Start of MODEL   17
    1   1H    ASP   1           H1       ASP   1   1.441   0.890   0.377
    2   2H    ASP   1           H2       ASP   1   1.728  -0.742   0.613
    3   3H    ASP   1           H3       ASP   1   0.389  -0.304  -0.183
    4    HA   ASP   1           HA       ASP   1   2.901  -0.757  -1.257
    5   1HB   ASP   1          2HB       ASP   1   0.163   0.125  -2.285
    6   2HB   ASP   1          3HB       ASP   1   1.533   0.055  -3.403
    7    H    GLU   2           H        GLU   2   3.500   0.749  -3.216
    8    HA   GLU   2           HA       GLU   2   4.092   3.467  -2.098
    9   1HB   GLU   2          2HB       GLU   2   5.463   1.524  -3.794
   10   2HB   GLU   2          3HB       GLU   2   5.305   3.056  -4.644
   11   1HG   GLU   2          2HG       GLU   2   6.506   4.263  -3.051
   12   2HG   GLU   2          3HG       GLU   2   6.181   3.097  -1.755
   13    H    ALA   3           H        ALA   3   1.830   1.900  -4.160
   14    HA   ALA   3           HA       ALA   3   1.434   3.871  -6.179
   15   1HB   ALA   3          1HB       ALA   3  -0.587   2.829  -6.603
   16   2HB   ALA   3          2HB       ALA   3   0.385   1.500  -5.892
   17   3HB   ALA   3          3HB       ALA   3  -0.847   2.350  -4.918
   18    H    GLN   4           H        GLN   4  -0.274   3.533  -3.052
   19    HA   GLN   4           HA       GLN   4  -1.852   5.837  -3.050
   20   1HB   GLN   4          2HB       GLN   4  -0.257   4.443  -0.857
   21   2HB   GLN   4          3HB       GLN   4  -1.156   5.905  -0.488
   22   1HG   GLN   4          2HG       GLN   4  -2.549   3.663  -1.978
   23   2HG   GLN   4          3HG       GLN   4  -2.309   3.531  -0.228
   24   1HE2  GLN   4          1HE2      GLN   4  -4.798   3.952  -1.987
   25   2HE2  GLN   4          2HE2      GLN   4  -5.526   5.354  -1.188
   26    H    PHE   5           H        PHE   5   1.613   5.735  -2.795
   27    HA   PHE   5           HA       PHE   5   1.874   8.637  -2.245
   28   1HB   PHE   5          2HB       PHE   5   3.289   6.741  -1.168
   29   2HB   PHE   5          3HB       PHE   5   4.018   6.536  -2.758
   30    HD1  PHE   5           HD1      PHE   5   3.924   8.539   0.193
   31    HD2  PHE   5           HD2      PHE   5   5.287   8.411  -3.915
   32    HE1  PHE   5           HE1      PHE   5   5.622  10.267   0.672
   33    HE2  PHE   5           HE2      PHE   5   6.932  10.202  -3.401
   34    HZ   PHE   5           HZ       PHE   5   7.013  11.205  -1.150
   35    H    LYS   6           H        LYS   6   2.567   6.227  -4.767
   36    HA   LYS   6           HA       LYS   6   3.795   8.063  -6.640
   37   1HB   LYS   6          2HB       LYS   6   2.967   5.243  -6.607
   38   2HB   LYS   6          3HB       LYS   6   2.323   5.975  -8.046
   39   1HG   LYS   6          2HG       LYS   6   4.321   5.544  -8.905
   40   2HG   LYS   6          3HG       LYS   6   4.872   7.011  -8.137
   41   1HD   LYS   6          2HD       LYS   6   5.927   5.902  -6.334
   42   2HD   LYS   6          3HD       LYS   6   4.986   4.425  -6.518
   43   1HE   LYS   6          2HE       LYS   6   7.134   5.391  -8.418
   44   2HE   LYS   6          3HE       LYS   6   7.265   4.052  -7.250
   45   1HZ   LYS   6          1HZ       LYS   6   6.197   3.974  -9.859
   46   2HZ   LYS   6          2HZ       LYS   6   6.357   2.713  -8.788
   47   3HZ   LYS   6          3HZ       LYS   6   4.994   3.640  -8.821
   48    H    GLU   7           H        GLU   7   0.483   7.442  -5.810
   49    HA   GLU   7           HA       GLU   7  -0.514   9.025  -8.043
   50   1HB   GLU   7          2HB       GLU   7  -1.673   7.352  -5.893
   51   2HB   GLU   7          3HB       GLU   7  -2.506   8.903  -6.050
   52   1HG   GLU   7          2HG       GLU   7  -2.652   8.490  -8.544
   53   2HG   GLU   7          3HG       GLU   7  -2.055   6.848  -8.236
   54    H    CYS   8           H        CYS   8   0.486   9.587  -4.689
   55    HA   CYS   8           HA       CYS   8  -0.734  12.296  -4.656
   56   1HB   CYS   8          2HB       CYS   8   0.124  10.558  -2.677
   57   2HB   CYS   8          3HB       CYS   8   1.563  11.544  -2.906
   58    H    TYR   9           H        TYR   9   2.496  10.842  -5.178
   59    HA   TYR   9           HA       TYR   9   3.887  13.300  -5.609
   60   1HB   TYR   9          2HB       TYR   9   4.711  10.839  -5.293
   61   2HB   TYR   9          3HB       TYR   9   4.413  10.632  -7.004
   62    HD1  TYR   9           HD1      TYR   9   5.691  12.075  -8.703
   63    HD2  TYR   9           HD2      TYR   9   6.639  11.979  -4.469
   64    HE1  TYR   9           HE1      TYR   9   7.939  12.886  -9.169
   65    HE2  TYR   9           HE2      TYR   9   8.905  12.732  -5.002
   66    HH   TYR   9           HH       TYR   9  10.127  13.848  -6.456
   67    H    ASP  10           H        ASP  10   2.436  11.049  -7.993
   68    HA   ASP  10           HA       ASP  10   3.048  12.628 -10.303
   69   1HB   ASP  10          2HB       ASP  10   2.110  10.141 -10.044
   70   2HB   ASP  10          3HB       ASP  10   0.528  10.912 -10.117
   71    H    THR  11           H        THR  11   0.044  12.332  -8.432
   72    HA   THR  11           HA       THR  11  -1.419  14.322  -9.816
   73    HB   THR  11           HB       THR  11  -1.820  13.316  -6.998
   74    HG1  THR  11           1HG      THR  11  -2.466  11.666  -8.005
   75   1HG2  THR  11          1HG2      THR  11  -3.530  14.707  -6.854
   76   2HG2  THR  11          2HG2      THR  11  -3.316  15.260  -8.549
   77   3HG2  THR  11          3HG2      THR  11  -4.299  13.829  -8.184
   78    H    CYS  12           H        CYS  12   0.507  14.489  -6.774
   79    HA   CYS  12           HA       CYS  12   0.034  17.247  -6.204
   80   1HB   CYS  12          2HB       CYS  12   1.029  15.592  -4.648
   81   2HB   CYS  12          3HB       CYS  12   2.563  15.621  -5.627
   82    H    HIS  13           H        HIS  13   2.495  15.597  -8.256
   83    HA   HIS  13           HA       HIS  13   3.908  17.887  -9.118
   84   1HB   HIS  13          2HB       HIS  13   4.235  15.289  -9.672
   85   2HB   HIS  13          3HB       HIS  13   3.303  15.752 -11.089
   86    HD1  HIS  13           HD1      HIS  13   4.648  16.951 -12.925
   87    HD2  HIS  13           HD2      HIS  13   6.581  16.580  -9.171
   88    HE1  HIS  13           HE1      HIS  13   7.089  17.630 -13.287
   89    HE2  HIS  13           HE2      HIS  13   8.286  17.329 -11.034
   90    H    LYS  14           H        LYS  14   0.864  16.553 -10.318
   91    HA   LYS  14           HA       LYS  14   0.531  18.383 -12.539
   92   1HB   LYS  14          2HB       LYS  14  -1.048  16.401 -11.149
   93   2HB   LYS  14          3HB       LYS  14  -2.046  17.863 -11.230
   94   1HG   LYS  14          2HG       LYS  14  -1.974  17.888 -13.570
   95   2HG   LYS  14          3HG       LYS  14  -0.542  16.806 -13.646
   96   1HD   LYS  14          2HD       LYS  14  -1.784  14.919 -12.839
   97   2HD   LYS  14          3HD       LYS  14  -3.225  15.930 -12.530
   98   1HE   LYS  14          2HE       LYS  14  -3.196  16.500 -15.024
   99   2HE   LYS  14          3HE       LYS  14  -1.931  15.265 -15.208
  100   1HZ   LYS  14          1HZ       LYS  14  -3.721  13.851 -13.901
  101   2HZ   LYS  14          2HZ       LYS  14  -4.772  14.904 -14.586
  102   3HZ   LYS  14          3HZ       LYS  14  -3.790  13.967 -15.533
  103    H    GLU  15           H        GLU  15  -0.997  18.797  -9.320
  104    HA   GLU  15           HA       GLU  15  -1.568  21.606  -9.791
  105   1HB   GLU  15          2HB       GLU  15  -2.613  20.003  -8.069
  106   2HB   GLU  15          3HB       GLU  15  -1.178  20.267  -7.085
  107   1HG   GLU  15          2HG       GLU  15  -1.831  22.343  -6.445
  108   2HG   GLU  15          3HG       GLU  15  -2.276  22.830  -8.077
  109    H    CYS  16           H        CYS  16   1.351  19.988  -9.036
  110    HA   CYS  16           HA       CYS  16   2.652  22.222  -7.785
  111   1HB   CYS  16          2HB       CYS  16   3.317  19.832  -7.474
  112   2HB   CYS  16          3HB       CYS  16   4.045  19.880  -9.100
  113    H    SER  17           H        SER  17   3.302  20.577 -10.912
  114    HA   SER  17           HA       SER  17   4.882  22.583 -12.152
  115   1HB   SER  17          2HB       SER  17   3.687  20.097 -12.917
  116   2HB   SER  17          3HB       SER  17   3.024  21.299 -14.023
  117    HG   SER  17           HG       SER  17   5.757  21.399 -13.533
  118    H    ASP  18           H        ASP  18   1.365  22.493 -11.588
  119    HA   ASP  18           HA       ASP  18   0.425  24.495 -13.370
  120   1HB   ASP  18          2HB       ASP  18  -1.185  23.368 -12.033
  121   2HB   ASP  18          3HB       ASP  18  -0.250  23.649 -10.569
  122    H    LYS  19           H        LYS  19   2.357  24.831 -10.365
  123    HA   LYS  19           HA       LYS  19   2.113  27.640 -10.229
  124   1HB   LYS  19          2HB       LYS  19   3.720  25.505  -8.880
  125   2HB   LYS  19          3HB       LYS  19   4.676  26.851  -9.197
  126   1HG   LYS  19          2HG       LYS  19   1.987  27.575  -8.105
  127   2HG   LYS  19          3HG       LYS  19   2.768  26.331  -7.141
  128   1HD   LYS  19          2HD       LYS  19   4.885  27.936  -7.258
  129   2HD   LYS  19          3HD       LYS  19   3.694  29.130  -7.828
  130   1HE   LYS  19          2HE       LYS  19   2.415  28.079  -5.627
  131   2HE   LYS  19          3HE       LYS  19   4.102  27.824  -5.152
  132   1HZ   LYS  19          1HZ       LYS  19   2.876  30.396  -5.963
  133   2HZ   LYS  19          2HZ       LYS  19   3.324  30.019  -4.426
  134   3HZ   LYS  19          3HZ       LYS  19   4.467  30.231  -5.605
  135    H    GLY  20           H        GLY  20   3.517  25.839 -12.569
  136   1HA   GLY  20          2HA       GLY  20   4.546  26.452 -14.533
  137   2HA   GLY  20          3HA       GLY  20   4.721  28.122 -13.908
  138    H    ASN  21           H        ASN  21   5.790  25.538 -11.897
  139    HA   ASN  21           HA       ASN  21   8.590  26.460 -12.081
  140   1HB   ASN  21          2HB       ASN  21   6.948  24.992 -10.138
  141   2HB   ASN  21          3HB       ASN  21   8.562  24.340 -10.310
  142   1HD2  ASN  21          1HD2      ASN  21   7.157  26.001  -8.247
  143   2HD2  ASN  21          2HD2      ASN  21   8.414  27.260  -7.915
  144    H    GLY  22           H        GLY  22  10.156  24.538 -11.797
  145   1HA   GLY  22          2HA       GLY  22  10.016  22.993 -14.338
  146   2HA   GLY  22          3HA       GLY  22  11.405  23.025 -13.190
  147    H    PHE  23           H        PHE  23   9.808  20.826 -14.528
  148    HA   PHE  23           HA       PHE  23   8.337  19.309 -12.792
  149   1HB   PHE  23          2HB       PHE  23   8.936  17.432 -14.162
  150   2HB   PHE  23          3HB       PHE  23   8.938  18.835 -15.235
  151    HD1  PHE  23           HD1      PHE  23  11.298  19.928 -15.690
  152    HD2  PHE  23           HD2      PHE  23  10.854  16.046 -13.784
  153    HE1  PHE  23           HE1      PHE  23  13.662  19.388 -16.183
  154    HE2  PHE  23           HE2      PHE  23  13.163  15.522 -14.266
  155    HZ   PHE  23           HZ       PHE  23  14.601  17.161 -15.515
  156    H    THR  24           H        THR  24  11.860  19.307 -13.043
  157    HA   THR  24           HA       THR  24  12.426  17.416 -11.081
  158    HB   THR  24           HB       THR  24  13.883  19.652 -12.375
  159    HG1  THR  24           1HG      THR  24  14.768  17.940 -13.135
  160   1HG2  THR  24          1HG2      THR  24  15.935  19.211 -10.914
  161   2HG2  THR  24          2HG2      THR  24  14.726  20.255 -10.192
  162   3HG2  THR  24          3HG2      THR  24  14.808  18.530  -9.713
  163    H    PHE  25           H        PHE  25  12.615  20.943 -10.480
  164    HA   PHE  25           HA       PHE  25  12.754  20.887  -7.720
  165   1HB   PHE  25          2HB       PHE  25  13.073  22.916  -8.895
  166   2HB   PHE  25          3HB       PHE  25  11.470  22.794  -9.646
  167    HD1  PHE  25           HD1      PHE  25   9.489  23.573  -8.592
  168    HD2  PHE  25           HD2      PHE  25  13.182  23.376  -6.365
  169    HE1  PHE  25           HE1      PHE  25   8.452  24.888  -6.743
  170    HE2  PHE  25           HE2      PHE  25  12.167  24.751  -4.557
  171    HZ   PHE  25           HZ       PHE  25   9.806  25.550  -4.782
  172    H    CYS  26           H        CYS  26   9.804  20.823  -9.747
  173    HA   CYS  26           HA       CYS  26   8.023  20.822  -7.537
  174   1HB   CYS  26          2HB       CYS  26   7.881  20.537 -10.483
  175   2HB   CYS  26          3HB       CYS  26   6.763  19.488  -9.650
  176    H    GLU  27           H        GLU  27   9.832  18.275  -9.178
  177    HA   GLU  27           HA       GLU  27   8.412  16.000  -8.093
  178   1HB   GLU  27          2HB       GLU  27  10.765  16.519  -9.848
  179   2HB   GLU  27          3HB       GLU  27  11.150  15.329  -8.648
  180   1HG   GLU  27          2HG       GLU  27   9.870  13.777  -9.663
  181   2HG   GLU  27          3HG       GLU  27   8.496  14.910  -9.885
  182    H    MET  28           H        MET  28  11.621  17.297  -7.291
  183    HA   MET  28           HA       MET  28  11.968  15.830  -4.874
  184   1HB   MET  28          2HB       MET  28  13.467  17.657  -4.158
  185   2HB   MET  28          3HB       MET  28  13.771  17.166  -5.848
  186   1HG   MET  28          2HG       MET  28  12.458  19.046  -6.629
  187   2HG   MET  28          3HG       MET  28  12.209  19.639  -4.994
  188   1HE   MET  28          1HE       MET  28  14.314  21.457  -3.772
  189   2HE   MET  28          2HE       MET  28  13.857  19.789  -3.387
  190   3HE   MET  28          3HE       MET  28  15.564  20.184  -3.667
  191    H    LYS  29           H        LYS  29  10.238  18.918  -5.402
  192    HA   LYS  29           HA       LYS  29   9.687  19.310  -2.591
  193   1HB   LYS  29          2HB       LYS  29   9.603  21.049  -4.540
  194   2HB   LYS  29          3HB       LYS  29   7.972  20.402  -4.838
  195   1HG   LYS  29          2HG       LYS  29   7.587  20.870  -2.286
  196   2HG   LYS  29          3HG       LYS  29   9.151  21.702  -2.343
  197   1HD   LYS  29          2HD       LYS  29   7.904  23.545  -2.890
  198   2HD   LYS  29          3HD       LYS  29   7.935  22.854  -4.515
  199   1HE   LYS  29          2HE       LYS  29   5.619  23.192  -4.191
  200   2HE   LYS  29          3HE       LYS  29   5.832  21.490  -3.755
  201   1HZ   LYS  29          1HZ       LYS  29   4.699  22.222  -1.922
  202   2HZ   LYS  29          2HZ       LYS  29   6.206  22.534  -1.385
  203   3HZ   LYS  29          3HZ       LYS  29   5.288  23.761  -1.984
  204    H    CYS  30           H        CYS  30   7.502  18.285  -5.236
  205    HA   CYS  30           HA       CYS  30   5.271  17.482  -3.743
  206   1HB   CYS  30          2HB       CYS  30   6.655  16.340  -6.224
  207   2HB   CYS  30          3HB       CYS  30   5.096  15.718  -5.636
  208    H    ASP  31           H        ASP  31   8.434  15.896  -4.093
  209    HA   ASP  31           HA       ASP  31   7.829  13.342  -3.034
  210   1HB   ASP  31          2HB       ASP  31  10.097  14.500  -4.100
  211   2HB   ASP  31          3HB       ASP  31  10.476  14.693  -2.415
  212    H    THR  32           H        THR  32   9.293  16.163  -1.452
  213    HA   THR  32           HA       THR  32   8.871  15.035   1.225
  214    HB   THR  32           HB       THR  32   9.992  17.594   0.099
  215    HG1  THR  32           1HG      THR  32  10.703  15.736   2.040
  216   1HG2  THR  32          1HG2      THR  32   8.560  18.452   1.963
  217   2HG2  THR  32          2HG2      THR  32   9.334  17.269   3.046
  218   3HG2  THR  32          3HG2      THR  32  10.287  18.589   2.295
  219    H    ASP  33           H        ASP  33   6.956  17.003  -0.909
  220    HA   ASP  33           HA       ASP  33   5.188  18.290   0.896
  221   1HB   ASP  33          2HB       ASP  33   5.202  18.761  -1.535
  222   2HB   ASP  33          3HB       ASP  33   4.651  17.125  -1.835
  223    H    CYS  34           H        CYS  34   4.425  15.382  -0.985
  224    HA   CYS  34           HA       CYS  34   2.491  14.599   1.138
  225   1HB   CYS  34          2HB       CYS  34   2.092  14.557  -1.469
  226   2HB   CYS  34          3HB       CYS  34   2.991  13.037  -1.428
  227    H    SER  35           H        SER  35   3.835  13.946   2.785
  228    HA   SER  35           HA       SER  35   5.754  11.659   2.230
  229   1HB   SER  35          2HB       SER  35   6.737  13.720   3.226
  230   2HB   SER  35          3HB       SER  35   5.688  13.471   4.648
  231    HG   SER  35           HG       SER  35   7.367  11.435   3.644
  232    H    VAL  36           H        VAL  36   4.186  10.097   2.188
  233    HA   VAL  36           HA       VAL  36   2.190   9.670   4.116
  234    HB   VAL  36           HB       VAL  36   2.606   8.502   1.836
  235   1HG1  VAL  36          1HG1      VAL  36   4.824   7.362   3.069
  236   2HG1  VAL  36          2HG1      VAL  36   3.637   6.082   3.274
  237   3HG1  VAL  36          3HG1      VAL  36   4.028   6.696   1.658
  238   1HG2  VAL  36          1HG2      VAL  36   0.676   7.640   2.359
  239   2HG2  VAL  36          2HG2      VAL  36   1.439   6.327   3.250
  240   3HG2  VAL  36          3HG2      VAL  36   0.965   7.823   4.081
  241    H    LYS  37           H        LYS  37   2.627   7.137   4.980
  242    HA   LYS  37           HA       LYS  37   5.054   7.002   6.551
  243   1HB   LYS  37          2HB       LYS  37   2.886   8.496   7.749
  244   2HB   LYS  37          3HB       LYS  37   2.899   6.936   8.555
  245   1HG   LYS  37          2HG       LYS  37   5.612   7.578   8.551
  246   2HG   LYS  37          3HG       LYS  37   4.914   9.186   8.480
  247   1HD   LYS  37          2HD       LYS  37   4.634   9.069  10.723
  248   2HD   LYS  37          3HD       LYS  37   3.387   7.851  10.491
  249   1HE   LYS  37          2HE       LYS  37   6.375   7.312  10.774
  250   2HE   LYS  37          3HE       LYS  37   5.144   7.073  12.030
  251   1HZ   LYS  37          1HZ       LYS  37   4.199   5.648   9.901
  252   2HZ   LYS  37          2HZ       LYS  37   5.787   5.372   9.774
  253   3HZ   LYS  37          3HZ       LYS  37   4.997   4.983  11.170
  254    H    ASP  38           H        ASP  38   1.746   5.826   6.349
  255    HA   ASP  38           HA       ASP  38   2.035   3.320   7.495
  256   1HB   ASP  38          2HB       ASP  38   0.031   4.585   6.003
  257   2HB   ASP  38          3HB       ASP  38   0.588   3.367   4.861
  258    H    VAL  39           H        VAL  39   3.052   1.488   7.018
  259    HA   VAL  39           HA       VAL  39   4.251   1.068   4.291
  260    HB   VAL  39           HB       VAL  39   5.768   1.155   6.924
  261   1HG1  VAL  39          1HG1      VAL  39   6.734  -0.774   6.159
  262   2HG1  VAL  39          2HG1      VAL  39   6.333  -0.475   4.459
  263   3HG1  VAL  39          3HG1      VAL  39   7.729   0.317   5.242
  264   1HG2  VAL  39          1HG2      VAL  39   6.373   3.155   6.122
  265   2HG2  VAL  39          2HG2      VAL  39   7.255   2.364   4.818
  266   3HG2  VAL  39          3HG2      VAL  39   5.615   2.888   4.543
  267    H    LYS  40           H        LYS  40   2.303  -0.192   4.335
  268    HA   LYS  40           HA       LYS  40   1.733  -2.409   5.931
  269   1HB   LYS  40          2HB       LYS  40   1.522  -2.196   2.882
  270   2HB   LYS  40          3HB       LYS  40   0.850  -3.526   3.816
  271   1HG   LYS  40          2HG       LYS  40  -1.015  -2.247   3.806
  272   2HG   LYS  40          3HG       LYS  40  -0.282  -1.531   5.246
  273   1HD   LYS  40          2HD       LYS  40   0.330   0.438   4.154
  274   2HD   LYS  40          3HD       LYS  40   0.375  -0.343   2.552
  275   1HE   LYS  40          2HE       LYS  40  -2.050  -0.590   2.550
  276   2HE   LYS  40          3HE       LYS  40  -2.149   0.211   4.138
  277   1HZ   LYS  40          1HZ       LYS  40  -2.456   1.644   2.031
  278   2HZ   LYS  40          2HZ       LYS  40  -1.545   2.210   3.281
  279   3HZ   LYS  40          3HZ       LYS  40  -0.802   1.622   1.947
  280    H    GLU  41           H        GLU  41   3.514  -2.975   2.883
  281    HA   GLU  41           HA       GLU  41   5.675  -4.192   4.283
  282   1HB   GLU  41          2HB       GLU  41   3.561  -5.919   4.179
  283   2HB   GLU  41          3HB       GLU  41   4.178  -6.194   2.565
  284   1HG   GLU  41          2HG       GLU  41   5.749  -7.557   3.448
  285   2HG   GLU  41          3HG       GLU  41   6.484  -6.197   4.272
  286    H    LYS  42           H        LYS  42   6.972  -5.506   2.539
  287    HA   LYS  42           HA       LYS  42   7.041  -3.842   0.032
  288   1HB   LYS  42          2HB       LYS  42   9.013  -3.855   1.780
  289   2HB   LYS  42          3HB       LYS  42   9.413  -5.427   1.123
  290   1HG   LYS  42          2HG       LYS  42   8.923  -2.996  -0.693
  291   2HG   LYS  42          3HG       LYS  42  10.473  -3.269   0.107
  292   1HD   LYS  42          2HD       LYS  42  10.255  -5.698  -0.970
  293   2HD   LYS  42          3HD       LYS  42   9.145  -4.879  -2.092
  294   1HE   LYS  42          2HE       LYS  42  10.889  -3.358  -2.781
  295   2HE   LYS  42          3HE       LYS  42  11.929  -3.874  -1.430
  296   1HZ   LYS  42          1HZ       LYS  42  12.674  -5.032  -3.392
  297   2HZ   LYS  42          2HZ       LYS  42  11.872  -6.142  -2.468
  298   3HZ   LYS  42          3HZ       LYS  42  11.153  -5.526  -3.786
  299    H    LEU  43           H        LEU  43   5.218  -5.312  -0.449
  300    HA   LEU  43           HA       LEU  43   5.379  -8.051  -0.964
  301   1HB   LEU  43          2HB       LEU  43   4.080  -5.886  -2.714
  302   2HB   LEU  43          3HB       LEU  43   3.879  -7.599  -2.944
  303    HG   LEU  43           HG       LEU  43   3.165  -7.580  -0.353
  304   1HD1  LEU  43          1HD1      LEU  43   1.575  -5.252  -0.572
  305   2HD1  LEU  43          2HD1      LEU  43   2.980  -5.478   0.490
  306   3HD1  LEU  43          3HD1      LEU  43   3.148  -4.706  -1.095
  307   1HD2  LEU  43          1HD2      LEU  43   1.197  -6.685  -2.482
  308   2HD2  LEU  43          2HD2      LEU  43   1.853  -8.332  -2.379
  309   3HD2  LEU  43          3HD2      LEU  43   0.912  -7.701  -1.040
  310    H    GLU  44           H        GLU  44   5.772  -9.242  -3.013
  311    HA   GLU  44           HA       GLU  44   7.381  -8.148  -5.094
  312   1HB   GLU  44          2HB       GLU  44   8.788  -8.937  -2.587
  313   2HB   GLU  44          3HB       GLU  44   9.287  -9.965  -3.890
  314   1HG   GLU  44          2HG       GLU  44   9.186  -6.919  -4.239
  315   2HG   GLU  44          3HG       GLU  44  10.574  -7.726  -3.548
  316    H    ASN  45           H        ASN  45   8.553 -10.135  -6.145
  317    HA   ASN  45           HA       ASN  45   8.260 -12.093  -7.336
  318   1HB   ASN  45          2HB       ASN  45   6.622 -13.084  -4.971
  319   2HB   ASN  45          3HB       ASN  45   7.389 -14.059  -6.206
  320   1HD2  ASN  45          1HD2      ASN  45   7.623 -13.299  -3.142
  321   2HD2  ASN  45          2HD2      ASN  45   9.412 -13.350  -2.968
  322    H    TYR  46           H        TYR  46   7.078 -11.373  -9.049
  323    HA   TYR  46           HA       TYR  46   4.278 -12.254  -9.185
  324   1HB   TYR  46          2HB       TYR  46   4.304  -9.986  -7.796
  325   2HB   TYR  46          3HB       TYR  46   4.663  -9.221  -9.288
  326    HD1  TYR  46           HD1      TYR  46   2.255 -11.278  -7.404
  327    HD2  TYR  46           HD2      TYR  46   2.940  -8.979 -10.995
  328    HE1  TYR  46           HE1      TYR  46  -0.212 -11.238  -7.852
  329    HE2  TYR  46           HE2      TYR  46   0.484  -8.937 -11.447
  330    HH   TYR  46           HH       TYR  46  -1.524 -10.125 -10.882
  331    H    LYS  47           H        LYS  47   5.123 -13.272 -11.052
  332    HA   LYS  47           HA       LYS  47   4.792 -11.880 -13.482
  333   1HB   LYS  47          2HB       LYS  47   7.494 -11.522 -12.398
  334   2HB   LYS  47          3HB       LYS  47   7.562 -12.357 -13.933
  335   1HG   LYS  47          2HG       LYS  47   5.738 -10.424 -14.619
  336   2HG   LYS  47          3HG       LYS  47   6.596  -9.554 -13.335
  337   1HD   LYS  47          2HD       LYS  47   8.732 -10.047 -14.444
  338   2HD   LYS  47          3HD       LYS  47   7.809 -10.888 -15.735
  339   1HE   LYS  47          2HE       LYS  47   6.469  -8.509 -15.656
  340   2HE   LYS  47          3HE       LYS  47   8.049  -7.959 -15.079
  341   1HZ   LYS  47          1HZ       LYS  47   7.263  -8.809 -17.717
  342   2HZ   LYS  47          2HZ       LYS  47   8.586  -7.919 -17.270
  343   3HZ   LYS  47          3HZ       LYS  47   8.622  -9.564 -17.211
  344    HA   PRO  48           HA       PRO  48   4.678 -16.431 -13.666
  345   1HB   PRO  48          2HB       PRO  48   2.265 -16.533 -15.107
  346   2HB   PRO  48          3HB       PRO  48   2.450 -16.574 -13.319
  347   1HG   PRO  48          2HG       PRO  48   1.465 -14.355 -15.039
  348   2HG   PRO  48          3HG       PRO  48   1.217 -14.645 -13.277
  349   1HD   PRO  48          2HD       PRO  48   3.056 -12.853 -14.543
  350   2HD   PRO  48          3HD       PRO  48   2.895 -13.203 -12.791
  351    H    LYS  49           H        LYS  49   5.747 -17.376 -15.230
  352    HA   LYS  49           HA       LYS  49   6.762 -16.187 -17.544
  353   1HB   LYS  49          2HB       LYS  49   6.876 -18.819 -16.340
  354   2HB   LYS  49          3HB       LYS  49   6.328 -19.043 -18.006
  355   1HG   LYS  49          2HG       LYS  49   8.265 -17.510 -18.699
  356   2HG   LYS  49          3HG       LYS  49   8.869 -17.645 -17.036
  357   1HD   LYS  49          2HD       LYS  49   9.576 -19.815 -17.323
  358   2HD   LYS  49          3HD       LYS  49   8.182 -20.241 -18.321
  359   1HE   LYS  49          2HE       LYS  49   9.545 -18.448 -19.963
  360   2HE   LYS  49          3HE       LYS  49  10.864 -19.280 -19.122
  361   1HZ   LYS  49          1HZ       LYS  49   8.783 -20.367 -20.913
  362   2HZ   LYS  49          2HZ       LYS  49  10.404 -20.690 -20.919
  363   3HZ   LYS  49          3HZ       LYS  49   9.413 -21.356 -19.781
  364    H    ASN  50           H        ASN  50   6.363 -16.541 -19.786
  365    HA   ASN  50           HA       ASN  50   3.479 -16.240 -20.393
  366   1HB   ASN  50          2HB       ASN  50   5.796 -14.989 -21.398
  367   2HB   ASN  50          3HB       ASN  50   5.384 -16.196 -22.633
  368   1HD2  ASN  50          1HD2      ASN  50   3.267 -16.111 -23.498
  369   2HD2  ASN  50          2HD2      ASN  50   2.426 -14.537 -23.573
  Start of MODEL   18
    1   1H    ASP   1           H1       ASP   1   0.422  -0.249  -0.199
    2   2H    ASP   1           H2       ASP   1   1.391   0.937   0.424
    3   3H    ASP   1           H3       ASP   1   1.756  -0.686   0.644
    4    HA   ASP   1           HA       ASP   1   2.579   0.954  -1.426
    5   1HB   ASP   1          2HB       ASP   1   2.991  -1.831  -0.446
    6   2HB   ASP   1          3HB       ASP   1   3.263  -1.616  -2.179
    7    H    GLU   2           H        GLU   2   2.047   1.066  -3.615
    8    HA   GLU   2           HA       GLU   2  -0.539   0.176  -4.471
    9   1HB   GLU   2          2HB       GLU   2   0.101   0.995  -6.615
   10   2HB   GLU   2          3HB       GLU   2   0.740   2.104  -5.400
   11   1HG   GLU   2          2HG       GLU   2   2.966   0.760  -5.596
   12   2HG   GLU   2          3HG       GLU   2   2.231  -0.017  -6.999
   13    H    ALA   3           H        ALA   3   2.736  -1.156  -4.969
   14    HA   ALA   3           HA       ALA   3   2.077  -3.227  -6.710
   15   1HB   ALA   3          1HB       ALA   3   4.149  -4.327  -5.924
   16   2HB   ALA   3          2HB       ALA   3   4.399  -2.596  -6.229
   17   3HB   ALA   3          3HB       ALA   3   4.232  -3.200  -4.559
   18    H    GLN   4           H        GLN   4   2.160  -3.374  -3.156
   19    HA   GLN   4           HA       GLN   4   1.369  -5.982  -2.649
   20   1HB   GLN   4          2HB       GLN   4   1.257  -3.359  -1.297
   21   2HB   GLN   4          3HB       GLN   4  -0.088  -4.360  -0.813
   22   1HG   GLN   4          2HG       GLN   4   2.569  -5.748  -0.870
   23   2HG   GLN   4          3HG       GLN   4   2.430  -4.420   0.274
   24   1HE2  GLN   4          1HE2      GLN   4   2.657  -6.043   2.028
   25   2HE2  GLN   4          2HE2      GLN   4   1.199  -6.983   2.379
   26    H    PHE   5           H        PHE   5  -0.578  -3.362  -3.886
   27    HA   PHE   5           HA       PHE   5  -3.069  -4.937  -3.830
   28   1HB   PHE   5          2HB       PHE   5  -2.887  -2.383  -3.385
   29   2HB   PHE   5          3HB       PHE   5  -2.514  -2.219  -5.094
   30    HD1  PHE   5           HD1      PHE   5  -5.084  -2.646  -2.641
   31    HD2  PHE   5           HD2      PHE   5  -4.218  -3.003  -6.847
   32    HE1  PHE   5           HE1      PHE   5  -7.495  -2.428  -3.178
   33    HE2  PHE   5           HE2      PHE   5  -6.643  -2.896  -7.348
   34    HZ   PHE   5           HZ       PHE   5  -8.279  -2.690  -5.515
   35    H    LYS   6           H        LYS   6  -0.825  -3.579  -6.232
   36    HA   LYS   6           HA       LYS   6  -2.176  -4.564  -8.553
   37   1HB   LYS   6          2HB       LYS   6  -0.260  -2.923  -8.554
   38   2HB   LYS   6          3HB       LYS   6   0.804  -4.261  -8.128
   39   1HG   LYS   6          2HG       LYS   6  -0.587  -5.171 -10.440
   40   2HG   LYS   6          3HG       LYS   6  -0.259  -3.465 -10.750
   41   1HD   LYS   6          2HD       LYS   6   2.120  -3.789 -10.320
   42   2HD   LYS   6          3HD       LYS   6   1.847  -5.481  -9.847
   43   1HE   LYS   6          2HE       LYS   6   1.330  -6.186 -12.008
   44   2HE   LYS   6          3HE       LYS   6   0.865  -4.569 -12.545
   45   1HZ   LYS   6          1HZ       LYS   6   3.026  -5.251 -13.427
   46   2HZ   LYS   6          2HZ       LYS   6   3.171  -3.910 -12.477
   47   3HZ   LYS   6          3HZ       LYS   6   3.644  -5.378 -11.904
   48    H    GLU   7           H        GLU   7  -0.106  -6.210  -6.272
   49    HA   GLU   7           HA       GLU   7  -0.010  -8.658  -7.804
   50   1HB   GLU   7          2HB       GLU   7   0.846  -7.860  -5.018
   51   2HB   GLU   7          3HB       GLU   7   0.639  -9.574  -5.407
   52   1HG   GLU   7          2HG       GLU   7   2.144  -9.320  -7.369
   53   2HG   GLU   7          3HG       GLU   7   2.449  -7.641  -6.922
   54    H    CYS   8           H        CYS   8  -2.119  -7.340  -5.277
   55    HA   CYS   8           HA       CYS   8  -3.543  -9.844  -4.941
   56   1HB   CYS   8          2HB       CYS   8  -3.465  -7.549  -3.465
   57   2HB   CYS   8          3HB       CYS   8  -4.876  -7.232  -4.451
   58    H    TYR   9           H        TYR   9  -4.097  -6.870  -6.823
   59    HA   TYR   9           HA       TYR   9  -6.492  -7.679  -8.061
   60   1HB   TYR   9          2HB       TYR   9  -5.276  -5.387  -8.020
   61   2HB   TYR   9          3HB       TYR   9  -4.311  -5.966  -9.351
   62    HD1  TYR   9           HD1      TYR   9  -5.501  -6.609 -11.560
   63    HD2  TYR   9           HD2      TYR   9  -7.500  -4.610  -8.302
   64    HE1  TYR   9           HE1      TYR   9  -7.222  -5.749 -13.136
   65    HE2  TYR   9           HE2      TYR   9  -9.113  -3.659  -9.909
   66    HH   TYR   9           HH       TYR   9  -9.501  -3.260 -12.092
   67    H    ASP  10           H        ASP  10  -3.163  -7.942  -9.365
   68    HA   ASP  10           HA       ASP  10  -3.873  -9.302 -11.779
   69   1HB   ASP  10          2HB       ASP  10  -1.628  -8.181 -10.933
   70   2HB   ASP  10          3HB       ASP  10  -1.240  -9.777 -10.325
   71    H    THR  11           H        THR  11  -2.658 -10.581  -8.694
   72    HA   THR  11           HA       THR  11  -2.885 -13.353  -9.384
   73    HB   THR  11           HB       THR  11  -2.830 -12.059  -6.622
   74    HG1  THR  11           1HG      THR  11  -0.766 -13.089  -8.294
   75   1HG2  THR  11          1HG2      THR  11  -2.981 -14.113  -5.782
   76   2HG2  THR  11          2HG2      THR  11  -3.024 -14.880  -7.371
   77   3HG2  THR  11          3HG2      THR  11  -1.469 -14.552  -6.582
   78    H    CYS  12           H        CYS  12  -5.157 -11.163  -7.598
   79    HA   CYS  12           HA       CYS  12  -7.140 -13.145  -7.120
   80   1HB   CYS  12          2HB       CYS  12  -7.191 -10.894  -6.064
   81   2HB   CYS  12          3HB       CYS  12  -7.561 -10.185  -7.623
   82    H    HIS  13           H        HIS  13  -6.545 -10.936  -9.927
   83    HA   HIS  13           HA       HIS  13  -8.714 -11.728 -11.524
   84   1HB   HIS  13          2HB       HIS  13  -6.767  -9.961 -11.943
   85   2HB   HIS  13          3HB       HIS  13  -6.050 -11.298 -12.802
   86    HD1  HIS  13           HD1      HIS  13  -6.525 -10.647 -15.277
   87    HD2  HIS  13           HD2      HIS  13  -9.696  -9.893 -12.628
   88    HE1  HIS  13           HE1      HIS  13  -8.462  -9.652 -16.684
   89    HE2  HIS  13           HE2      HIS  13 -10.361  -9.244 -15.139
   90    H    LYS  14           H        LYS  14  -5.648 -13.351 -11.073
   91    HA   LYS  14           HA       LYS  14  -6.014 -15.428 -12.991
   92   1HB   LYS  14          2HB       LYS  14  -4.118 -14.840 -10.903
   93   2HB   LYS  14          3HB       LYS  14  -4.685 -16.494 -10.662
   94   1HG   LYS  14          2HG       LYS  14  -4.296 -16.636 -13.316
   95   2HG   LYS  14          3HG       LYS  14  -3.226 -15.274 -12.991
   96   1HD   LYS  14          2HD       LYS  14  -2.911 -17.622 -11.124
   97   2HD   LYS  14          3HD       LYS  14  -2.588 -17.959 -12.816
   98   1HE   LYS  14          2HE       LYS  14  -0.498 -17.263 -12.155
   99   2HE   LYS  14          3HE       LYS  14  -1.183 -15.761 -12.781
  100   1HZ   LYS  14          1HZ       LYS  14  -0.459 -16.444 -10.072
  101   2HZ   LYS  14          2HZ       LYS  14  -0.589 -14.958 -10.767
  102   3HZ   LYS  14          3HZ       LYS  14  -1.929 -15.719 -10.180
  103    H    GLU  15           H        GLU  15  -6.588 -15.855  -9.475
  104    HA   GLU  15           HA       GLU  15  -8.224 -18.196  -9.775
  105   1HB   GLU  15          2HB       GLU  15  -6.960 -17.382  -7.722
  106   2HB   GLU  15          3HB       GLU  15  -8.252 -16.199  -7.489
  107   1HG   GLU  15          2HG       GLU  15  -9.823 -17.780  -6.903
  108   2HG   GLU  15          3HG       GLU  15  -9.124 -19.044  -7.912
  109    H    CYS  16           H        CYS  16  -8.978 -14.875 -10.210
  110    HA   CYS  16           HA       CYS  16 -11.792 -15.126  -9.948
  111   1HB   CYS  16          2HB       CYS  16 -10.578 -13.005  -9.759
  112   2HB   CYS  16          3HB       CYS  16 -10.297 -13.014 -11.485
  113    H    SER  17           H        SER  17  -9.791 -14.555 -12.854
  114    HA   SER  17           HA       SER  17 -11.751 -15.183 -14.832
  115   1HB   SER  17          2HB       SER  17  -9.044 -14.384 -14.855
  116   2HB   SER  17          3HB       SER  17  -9.043 -15.962 -15.618
  117    HG   SER  17           HG       SER  17 -10.948 -13.981 -16.323
  118    H    ASP  18           H        ASP  18  -9.757 -17.309 -12.854
  119    HA   ASP  18           HA       ASP  18 -10.047 -19.816 -14.109
  120   1HB   ASP  18          2HB       ASP  18  -8.716 -19.732 -12.173
  121   2HB   ASP  18          3HB       ASP  18  -9.942 -18.876 -11.262
  122    H    LYS  19           H        LYS  19 -12.477 -17.953 -12.160
  123    HA   LYS  19           HA       LYS  19 -14.393 -19.995 -12.147
  124   1HB   LYS  19          2HB       LYS  19 -14.224 -17.157 -11.466
  125   2HB   LYS  19          3HB       LYS  19 -15.725 -17.470 -12.238
  126   1HG   LYS  19          2HG       LYS  19 -14.972 -19.511 -10.217
  127   2HG   LYS  19          3HG       LYS  19 -14.934 -17.887  -9.556
  128   1HD   LYS  19          2HD       LYS  19 -17.167 -17.594  -9.631
  129   2HD   LYS  19          3HD       LYS  19 -17.374 -18.414 -11.185
  130   1HE   LYS  19          2HE       LYS  19 -16.590 -19.993  -8.731
  131   2HE   LYS  19          3HE       LYS  19 -18.285 -19.544  -8.971
  132   1HZ   LYS  19          1HZ       LYS  19 -18.319 -20.731 -11.027
  133   2HZ   LYS  19          2HZ       LYS  19 -16.692 -20.892 -11.078
  134   3HZ   LYS  19          3HZ       LYS  19 -17.556 -21.750  -9.975
  135    H    GLY  20           H        GLY  20 -13.169 -18.490 -14.816
  136   1HA   GLY  20          2HA       GLY  20 -13.644 -18.614 -17.012
  137   2HA   GLY  20          3HA       GLY  20 -15.087 -19.570 -16.688
  138    H    ASN  21           H        ASN  21 -14.633 -16.507 -15.145
  139    HA   ASN  21           HA       ASN  21 -17.046 -15.429 -16.385
  140   1HB   ASN  21          2HB       ASN  21 -15.427 -14.840 -13.998
  141   2HB   ASN  21          3HB       ASN  21 -16.004 -13.413 -14.809
  142   1HD2  ASN  21          1HD2      ASN  21 -16.807 -14.907 -12.196
  143   2HD2  ASN  21          2HD2      ASN  21 -18.574 -14.902 -12.431
  144    H    GLY  22           H        GLY  22 -16.889 -12.997 -16.858
  145   1HA   GLY  22          2HA       GLY  22 -15.143 -12.647 -19.195
  146   2HA   GLY  22          3HA       GLY  22 -16.256 -11.448 -18.557
  147    H    PHE  23           H        PHE  23 -13.135 -11.892 -19.128
  148    HA   PHE  23           HA       PHE  23 -11.471 -11.226 -17.112
  149   1HB   PHE  23          2HB       PHE  23 -11.384 -11.014 -19.899
  150   2HB   PHE  23          3HB       PHE  23 -11.221  -9.338 -19.422
  151    HD1  PHE  23           HD1      PHE  23  -9.886 -12.576 -18.043
  152    HD2  PHE  23           HD2      PHE  23  -9.000  -8.643 -19.537
  153    HE1  PHE  23           HE1      PHE  23  -7.496 -12.964 -17.609
  154    HE2  PHE  23           HE2      PHE  23  -6.606  -9.046 -19.191
  155    HZ   PHE  23           HZ       PHE  23  -5.814 -11.205 -18.226
  156    H    THR  24           H        THR  24 -13.194  -8.647 -18.797
  157    HA   THR  24           HA       THR  24 -12.663  -6.430 -17.178
  158    HB   THR  24           HB       THR  24 -14.853  -7.212 -19.048
  159    HG1  THR  24           1HG      THR  24 -12.960  -5.985 -19.615
  160   1HG2  THR  24          1HG2      THR  24 -15.347  -5.052 -16.975
  161   2HG2  THR  24          2HG2      THR  24 -16.042  -4.955 -18.599
  162   3HG2  THR  24          3HG2      THR  24 -16.434  -6.328 -17.570
  163    H    PHE  25           H        PHE  25 -15.582  -8.507 -16.814
  164    HA   PHE  25           HA       PHE  25 -16.529  -7.363 -14.408
  165   1HB   PHE  25          2HB       PHE  25 -17.931  -8.896 -15.610
  166   2HB   PHE  25          3HB       PHE  25 -16.706 -10.157 -15.609
  167    HD1  PHE  25           HD1      PHE  25 -16.395 -11.651 -13.754
  168    HD2  PHE  25           HD2      PHE  25 -19.035  -8.275 -13.372
  169    HE1  PHE  25           HE1      PHE  25 -17.319 -12.617 -11.685
  170    HE2  PHE  25           HE2      PHE  25 -19.984  -9.261 -11.308
  171    HZ   PHE  25           HZ       PHE  25 -19.178 -11.468 -10.489
  172    H    CYS  26           H        CYS  26 -14.209 -10.078 -14.899
  173    HA   CYS  26           HA       CYS  26 -13.780 -10.529 -12.182
  174   1HB   CYS  26          2HB       CYS  26 -12.640 -11.350 -14.760
  175   2HB   CYS  26          3HB       CYS  26 -11.434 -11.243 -13.511
  176    H    GLU  27           H        GLU  27 -12.341  -8.129 -14.369
  177    HA   GLU  27           HA       GLU  27 -10.247  -7.223 -12.609
  178   1HB   GLU  27          2HB       GLU  27 -11.411  -6.588 -15.242
  179   2HB   GLU  27          3HB       GLU  27 -11.045  -5.145 -14.327
  180   1HG   GLU  27          2HG       GLU  27  -8.840  -5.360 -14.552
  181   2HG   GLU  27          3HG       GLU  27  -8.844  -7.076 -14.169
  182    H    MET  28           H        MET  28 -13.277  -5.563 -13.522
  183    HA   MET  28           HA       MET  28 -13.300  -3.654 -11.471
  184   1HB   MET  28          2HB       MET  28 -15.453  -5.015 -13.109
  185   2HB   MET  28          3HB       MET  28 -15.959  -4.119 -11.681
  186   1HG   MET  28          2HG       MET  28 -16.113  -2.502 -13.247
  187   2HG   MET  28          3HG       MET  28 -14.514  -2.169 -12.587
  188   1HE   MET  28          1HE       MET  28 -14.781  -1.371 -16.523
  189   2HE   MET  28          2HE       MET  28 -16.307  -2.058 -15.918
  190   3HE   MET  28          3HE       MET  28 -15.425  -0.853 -14.946
  191    H    LYS  29           H        LYS  29 -14.310  -7.021 -11.291
  192    HA   LYS  29           HA       LYS  29 -15.390  -6.737  -8.620
  193   1HB   LYS  29          2HB       LYS  29 -15.988  -8.539 -10.372
  194   2HB   LYS  29          3HB       LYS  29 -14.527  -9.356  -9.872
  195   1HG   LYS  29          2HG       LYS  29 -16.165  -8.402  -7.571
  196   2HG   LYS  29          3HG       LYS  29 -17.084  -9.449  -8.646
  197   1HD   LYS  29          2HD       LYS  29 -15.522 -11.243  -8.402
  198   2HD   LYS  29          3HD       LYS  29 -14.332 -10.210  -7.579
  199   1HE   LYS  29          2HE       LYS  29 -15.264 -10.463  -5.586
  200   2HE   LYS  29          3HE       LYS  29 -16.862 -10.010  -6.177
  201   1HZ   LYS  29          1HZ       LYS  29 -17.344 -12.233  -6.684
  202   2HZ   LYS  29          2HZ       LYS  29 -15.752 -12.696  -6.659
  203   3HZ   LYS  29          3HZ       LYS  29 -16.519 -12.346  -5.258
  204    H    CYS  30           H        CYS  30 -12.420  -8.317  -9.826
  205    HA   CYS  30           HA       CYS  30 -11.061  -8.840  -7.425
  206   1HB   CYS  30          2HB       CYS  30 -10.080  -7.968 -10.143
  207   2HB   CYS  30          3HB       CYS  30  -9.014  -8.456  -8.825
  208    H    ASP  31           H        ASP  31 -11.473  -5.769  -9.127
  209    HA   ASP  31           HA       ASP  31  -9.687  -4.123  -7.720
  210   1HB   ASP  31          2HB       ASP  31 -11.380  -3.777  -9.803
  211   2HB   ASP  31          3HB       ASP  31 -12.429  -3.144  -8.573
  212    H    THR  32           H        THR  32 -13.157  -4.493  -7.187
  213    HA   THR  32           HA       THR  32 -13.069  -3.233  -4.557
  214    HB   THR  32           HB       THR  32 -15.208  -4.511  -6.238
  215    HG1  THR  32           1HG      THR  32 -15.292  -2.483  -6.574
  216   1HG2  THR  32          1HG2      THR  32 -16.076  -5.408  -4.289
  217   2HG2  THR  32          2HG2      THR  32 -15.454  -4.104  -3.248
  218   3HG2  THR  32          3HG2      THR  32 -16.841  -3.812  -4.315
  219    H    ASP  33           H        ASP  33 -12.706  -6.574  -5.649
  220    HA   ASP  33           HA       ASP  33 -13.336  -8.000  -3.342
  221   1HB   ASP  33          2HB       ASP  33 -12.836  -9.087  -5.493
  222   2HB   ASP  33          3HB       ASP  33 -11.183  -8.476  -5.423
  223    H    CYS  34           H        CYS  34 -10.021  -7.221  -4.394
  224    HA   CYS  34           HA       CYS  34  -9.083  -7.343  -1.615
  225   1HB   CYS  34          2HB       CYS  34  -7.946  -8.402  -3.708
  226   2HB   CYS  34          3HB       CYS  34  -7.336  -6.771  -3.985
  227    H    SER  35           H        SER  35 -10.052  -5.466  -0.787
  228    HA   SER  35           HA       SER  35  -8.659  -2.973  -1.491
  229   1HB   SER  35          2HB       SER  35 -11.505  -3.418  -2.013
  230   2HB   SER  35          3HB       SER  35 -11.200  -2.033  -0.943
  231    HG   SER  35           HG       SER  35  -9.934  -2.592  -3.449
  232    H    VAL  36           H        VAL  36  -7.825  -2.157   0.203
  233    HA   VAL  36           HA       VAL  36  -8.299  -3.097   2.812
  234    HB   VAL  36           HB       VAL  36  -6.265  -1.864   1.777
  235   1HG1  VAL  36          1HG1      VAL  36  -7.166   0.640   3.138
  236   2HG1  VAL  36          2HG1      VAL  36  -6.082   0.401   1.759
  237   3HG1  VAL  36          3HG1      VAL  36  -7.830   0.308   1.530
  238   1HG2  VAL  36          1HG2      VAL  36  -6.971  -2.489   4.420
  239   2HG2  VAL  36          2HG2      VAL  36  -5.369  -2.183   3.764
  240   3HG2  VAL  36          3HG2      VAL  36  -6.282  -0.856   4.499
  241    H    LYS  37           H        LYS  37  -8.448  -0.883   4.403
  242    HA   LYS  37           HA       LYS  37 -10.829   0.602   3.704
  243   1HB   LYS  37          2HB       LYS  37 -11.604  -1.641   4.610
  244   2HB   LYS  37          3HB       LYS  37 -10.960  -1.176   6.183
  245   1HG   LYS  37          2HG       LYS  37 -12.655   0.316   6.575
  246   2HG   LYS  37          3HG       LYS  37 -12.772   0.835   4.889
  247   1HD   LYS  37          2HD       LYS  37 -13.679  -1.949   5.687
  248   2HD   LYS  37          3HD       LYS  37 -14.720  -0.542   5.924
  249   1HE   LYS  37          2HE       LYS  37 -13.626  -0.319   3.272
  250   2HE   LYS  37          3HE       LYS  37 -14.104  -1.999   3.450
  251   1HZ   LYS  37          1HZ       LYS  37 -16.307  -1.200   4.175
  252   2HZ   LYS  37          2HZ       LYS  37 -15.834   0.360   3.941
  253   3HZ   LYS  37          3HZ       LYS  37 -15.954  -0.663   2.661
  254    H    ASP  38           H        ASP  38 -11.387   2.254   5.255
  255    HA   ASP  38           HA       ASP  38  -9.002   3.551   6.333
  256   1HB   ASP  38          2HB       ASP  38 -11.346   4.503   5.098
  257   2HB   ASP  38          3HB       ASP  38 -11.590   4.882   6.800
  258    H    VAL  39           H        VAL  39  -8.462   3.284   8.400
  259    HA   VAL  39           HA       VAL  39 -10.517   2.839  10.501
  260    HB   VAL  39           HB       VAL  39  -7.979   1.246  10.186
  261   1HG1  VAL  39          1HG1      VAL  39  -8.074   0.538  12.315
  262   2HG1  VAL  39          2HG1      VAL  39  -9.055   1.968  12.616
  263   3HG1  VAL  39          3HG1      VAL  39  -9.828   0.396  12.342
  264   1HG2  VAL  39          1HG2      VAL  39 -10.437  -0.344  10.460
  265   2HG2  VAL  39          2HG2      VAL  39 -10.443   0.656   9.014
  266   3HG2  VAL  39          3HG2      VAL  39  -9.114  -0.465   9.310
  267    H    LYS  40           H        LYS  40 -10.186   5.117  10.572
  268    HA   LYS  40           HA       LYS  40  -7.857   6.482  11.154
  269   1HB   LYS  40          2HB       LYS  40 -10.644   6.868  12.321
  270   2HB   LYS  40          3HB       LYS  40  -9.324   7.981  12.636
  271   1HG   LYS  40          2HG       LYS  40  -9.251   7.744   9.843
  272   2HG   LYS  40          3HG       LYS  40 -10.969   7.613  10.201
  273   1HD   LYS  40          2HD       LYS  40 -10.731   9.888   9.933
  274   2HD   LYS  40          3HD       LYS  40 -10.565   9.779  11.687
  275   1HE   LYS  40          2HE       LYS  40  -8.101   9.512   9.934
  276   2HE   LYS  40          3HE       LYS  40  -8.835  11.104  10.076
  277   1HZ   LYS  40          1HZ       LYS  40  -8.690  10.175  12.653
  278   2HZ   LYS  40          2HZ       LYS  40  -7.251   9.724  11.988
  279   3HZ   LYS  40          3HZ       LYS  40  -7.712  11.303  11.962
  280    H    GLU  41           H        GLU  41  -6.418   6.519  12.702
  281    HA   GLU  41           HA       GLU  41  -6.894   5.106  15.270
  282   1HB   GLU  41          2HB       GLU  41  -4.649   5.146  13.290
  283   2HB   GLU  41          3HB       GLU  41  -4.175   5.062  14.983
  284   1HG   GLU  41          2HG       GLU  41  -6.248   3.168  13.829
  285   2HG   GLU  41          3HG       GLU  41  -4.519   2.841  13.776
  286    H    LYS  42           H        LYS  42  -7.712   7.613  15.065
  287    HA   LYS  42           HA       LYS  42  -5.977   8.999  17.006
  288   1HB   LYS  42          2HB       LYS  42  -5.566   9.889  14.604
  289   2HB   LYS  42          3HB       LYS  42  -7.168  10.628  14.750
  290   1HG   LYS  42          2HG       LYS  42  -6.471  11.856  16.741
  291   2HG   LYS  42          3HG       LYS  42  -4.909  11.017  16.776
  292   1HD   LYS  42          2HD       LYS  42  -4.031  12.200  15.006
  293   2HD   LYS  42          3HD       LYS  42  -5.591  12.398  14.212
  294   1HE   LYS  42          2HE       LYS  42  -5.594  14.498  14.902
  295   2HE   LYS  42          3HE       LYS  42  -6.034  13.868  16.486
  296   1HZ   LYS  42          1HZ       LYS  42  -3.848  15.366  15.989
  297   2HZ   LYS  42          2HZ       LYS  42  -3.997  14.382  17.293
  298   3HZ   LYS  42          3HZ       LYS  42  -3.189  13.858  15.963
  299    H    LEU  43           H        LEU  43  -7.728   7.624  17.996
  300    HA   LEU  43           HA       LEU  43 -10.384   8.376  18.109
  301   1HB   LEU  43          2HB       LEU  43 -10.567   7.208  20.113
  302   2HB   LEU  43          3HB       LEU  43  -9.277   6.399  19.265
  303    HG   LEU  43           HG       LEU  43  -8.172   8.504  20.978
  304   1HD1  LEU  43          1HD1      LEU  43 -10.434   7.743  22.189
  305   2HD1  LEU  43          2HD1      LEU  43  -9.373   6.433  22.748
  306   3HD1  LEU  43          3HD1      LEU  43  -8.954   8.133  23.053
  307   1HD2  LEU  43          1HD2      LEU  43  -7.038   6.448  20.013
  308   2HD2  LEU  43          2HD2      LEU  43  -6.681   6.894  21.689
  309   3HD2  LEU  43          3HD2      LEU  43  -7.793   5.548  21.345
  310    H    GLU  44           H        GLU  44 -11.601   9.675  19.692
  311    HA   GLU  44           HA       GLU  44 -10.401  12.318  19.878
  312   1HB   GLU  44          2HB       GLU  44 -12.557  13.031  20.677
  313   2HB   GLU  44          3HB       GLU  44 -12.748  12.015  19.248
  314   1HG   GLU  44          2HG       GLU  44 -13.299  10.062  20.686
  315   2HG   GLU  44          3HG       GLU  44 -13.100  11.059  22.130
  316    H    ASN  45           H        ASN  45 -10.513  13.557  21.912
  317    HA   ASN  45           HA       ASN  45 -10.113  11.951  24.343
  318   1HB   ASN  45          2HB       ASN  45  -8.169  14.130  23.448
  319   2HB   ASN  45          3HB       ASN  45  -8.070  13.197  24.944
  320   1HD2  ASN  45          1HD2      ASN  45  -7.924  10.701  24.562
  321   2HD2  ASN  45          2HD2      ASN  45  -6.943  10.268  23.168
  322    H    TYR  46           H        TYR  46 -10.241  13.241  26.265
  323    HA   TYR  46           HA       TYR  46 -11.551  15.852  25.985
  324   1HB   TYR  46          2HB       TYR  46 -13.103  13.572  26.151
  325   2HB   TYR  46          3HB       TYR  46 -12.911  13.966  27.853
  326    HD1  TYR  46           HD1      TYR  46 -14.178  15.100  24.559
  327    HD2  TYR  46           HD2      TYR  46 -14.046  15.909  28.790
  328    HE1  TYR  46           HE1      TYR  46 -15.995  16.751  24.293
  329    HE2  TYR  46           HE2      TYR  46 -15.830  17.631  28.511
  330    HH   TYR  46           HH       TYR  46 -17.127  18.475  25.314
  331    H    LYS  47           H        LYS  47 -12.035  16.639  28.227
  332    HA   LYS  47           HA       LYS  47  -9.756  16.014  30.064
  333   1HB   LYS  47          2HB       LYS  47 -10.044  18.454  30.828
  334   2HB   LYS  47          3HB       LYS  47  -9.202  18.131  29.323
  335   1HG   LYS  47          2HG       LYS  47 -10.882  18.974  27.979
  336   2HG   LYS  47          3HG       LYS  47 -12.175  18.656  29.143
  337   1HD   LYS  47          2HD       LYS  47 -10.007  20.725  29.629
  338   2HD   LYS  47          3HD       LYS  47 -11.527  21.110  28.799
  339   1HE   LYS  47          2HE       LYS  47 -12.834  20.863  30.692
  340   2HE   LYS  47          3HE       LYS  47 -11.839  19.567  31.333
  341   1HZ   LYS  47          1HZ       LYS  47 -11.296  21.206  32.756
  342   2HZ   LYS  47          2HZ       LYS  47 -10.125  21.482  31.641
  343   3HZ   LYS  47          3HZ       LYS  47 -11.464  22.440  31.672
  344    HA   PRO  48           HA       PRO  48 -12.747  15.207  33.155
  345   1HB   PRO  48          2HB       PRO  48 -11.363  15.834  35.474
  346   2HB   PRO  48          3HB       PRO  48 -11.166  14.339  34.526
  347   1HG   PRO  48          2HG       PRO  48  -9.329  16.667  34.698
  348   2HG   PRO  48          3HG       PRO  48  -8.993  14.978  34.235
  349   1HD   PRO  48          2HD       PRO  48  -9.370  17.231  32.523
  350   2HD   PRO  48          3HD       PRO  48  -9.132  15.525  32.039
  351    H    LYS  49           H        LYS  49 -13.783  16.278  35.093
  352    HA   LYS  49           HA       LYS  49 -14.214  19.184  34.638
  353   1HB   LYS  49          2HB       LYS  49 -16.523  18.906  35.162
  354   2HB   LYS  49          3HB       LYS  49 -16.124  17.714  33.948
  355   1HG   LYS  49          2HG       LYS  49 -17.273  16.289  35.333
  356   2HG   LYS  49          3HG       LYS  49 -15.718  16.161  36.147
  357   1HD   LYS  49          2HD       LYS  49 -17.195  16.661  37.933
  358   2HD   LYS  49          3HD       LYS  49 -16.473  18.202  37.519
  359   1HE   LYS  49          2HE       LYS  49 -18.601  18.854  37.710
  360   2HE   LYS  49          3HE       LYS  49 -18.493  18.578  35.961
  361   1HZ   LYS  49          1HZ       LYS  49 -19.531  16.439  36.278
  362   2HZ   LYS  49          2HZ       LYS  49 -19.449  16.579  37.918
  363   3HZ   LYS  49          3HZ       LYS  49 -20.471  17.549  37.064
  364    H    ASN  50           H        ASN  50 -14.946  20.253  36.690
  365    HA   ASN  50           HA       ASN  50 -13.165  20.166  38.850
  366   1HB   ASN  50          2HB       ASN  50 -14.742  22.050  38.453
  367   2HB   ASN  50          3HB       ASN  50 -16.117  20.997  38.816
  368   1HD2  ASN  50          1HD2      ASN  50 -13.277  22.642  40.283
  369   2HD2  ASN  50          2HD2      ASN  50 -13.938  22.365  41.896
  Start of MODEL   19
    1   1H    ASP   1           H1       ASP   1   1.187  -0.867   0.276
    2   2H    ASP   1           H2       ASP   1   0.520   0.594  -0.098
    3   3H    ASP   1           H3       ASP   1   1.949   0.515   0.747
    4    HA   ASP   1           HA       ASP   1   1.590   0.589  -2.022
    5   1HB   ASP   1          2HB       ASP   1   4.255   0.005  -0.719
    6   2HB   ASP   1          3HB       ASP   1   3.878   1.039  -2.099
    7    H    GLU   2           H        GLU   2   0.709  -1.350  -2.973
    8    HA   GLU   2           HA       GLU   2   0.757  -3.425  -3.792
    9   1HB   GLU   2          2HB       GLU   2   3.572  -2.726  -3.540
   10   2HB   GLU   2          3HB       GLU   2   3.369  -4.446  -3.243
   11   1HG   GLU   2          2HG       GLU   2   3.782  -4.155  -5.530
   12   2HG   GLU   2          3HG       GLU   2   2.105  -4.680  -5.345
   13    H    ALA   3           H        ALA   3   3.006  -4.097  -1.150
   14    HA   ALA   3           HA       ALA   3   1.736  -6.543  -0.362
   15   1HB   ALA   3          1HB       ALA   3   4.111  -5.774   0.166
   16   2HB   ALA   3          2HB       ALA   3   3.397  -4.743   1.430
   17   3HB   ALA   3          3HB       ALA   3   3.190  -6.505   1.510
   18    H    GLN   4           H        GLN   4   1.600  -3.336   1.195
   19    HA   GLN   4           HA       GLN   4  -0.270  -3.803   3.166
   20   1HB   GLN   4          2HB       GLN   4   0.866  -1.542   1.923
   21   2HB   GLN   4          3HB       GLN   4  -0.861  -1.253   1.781
   22   1HG   GLN   4          2HG       GLN   4   0.289  -2.146   4.443
   23   2HG   GLN   4          3HG       GLN   4   0.612  -0.512   3.875
   24   1HE2  GLN   4          1HE2      GLN   4  -0.592   0.282   5.761
   25   2HE2  GLN   4          2HE2      GLN   4  -2.365   0.229   5.606
   26    H    PHE   5           H        PHE   5  -0.909  -3.678  -0.242
   27    HA   PHE   5           HA       PHE   5  -3.857  -3.775   0.048
   28   1HB   PHE   5          2HB       PHE   5  -2.551  -2.405  -1.754
   29   2HB   PHE   5          3HB       PHE   5  -2.094  -3.972  -2.438
   30    HD1  PHE   5           HD1      PHE   5  -5.064  -2.072  -1.274
   31    HD2  PHE   5           HD2      PHE   5  -3.486  -5.071  -3.973
   32    HE1  PHE   5           HE1      PHE   5  -7.191  -2.176  -2.439
   33    HE2  PHE   5           HE2      PHE   5  -5.678  -5.124  -5.174
   34    HZ   PHE   5           HZ       PHE   5  -7.511  -3.728  -4.377
   35    H    LYS   6           H        LYS   6  -1.086  -5.765  -1.018
   36    HA   LYS   6           HA       LYS   6  -2.532  -8.060  -1.882
   37   1HB   LYS   6          2HB       LYS   6   0.156  -7.350  -1.582
   38   2HB   LYS   6          3HB       LYS   6  -0.002  -8.683  -0.446
   39   1HG   LYS   6          2HG       LYS   6  -0.576 -10.221  -2.148
   40   2HG   LYS   6          3HG       LYS   6  -1.138  -8.959  -3.236
   41   1HD   LYS   6          2HD       LYS   6   0.789  -9.002  -4.299
   42   2HD   LYS   6          3HD       LYS   6   1.570  -8.280  -2.906
   43   1HE   LYS   6          2HE       LYS   6   2.774 -10.142  -2.570
   44   2HE   LYS   6          3HE       LYS   6   1.283 -11.032  -2.264
   45   1HZ   LYS   6          1HZ       LYS   6   2.042 -12.162  -4.079
   46   2HZ   LYS   6          2HZ       LYS   6   1.189 -11.012  -4.874
   47   3HZ   LYS   6          3HZ       LYS   6   2.819 -10.864  -4.748
   48    H    GLU   7           H        GLU   7  -1.800  -6.955   1.331
   49    HA   GLU   7           HA       GLU   7  -2.802  -9.368   2.577
   50   1HB   GLU   7          2HB       GLU   7  -1.182  -7.804   3.706
   51   2HB   GLU   7          3HB       GLU   7  -2.482  -6.601   3.791
   52   1HG   GLU   7          2HG       GLU   7  -3.860  -8.315   5.087
   53   2HG   GLU   7          3HG       GLU   7  -2.444  -9.365   5.093
   54    H    CYS   8           H        CYS   8  -4.190  -6.258   1.575
   55    HA   CYS   8           HA       CYS   8  -6.745  -6.714   2.918
   56   1HB   CYS   8          2HB       CYS   8  -5.544  -4.495   1.840
   57   2HB   CYS   8          3HB       CYS   8  -6.520  -5.022   0.480
   58    H    TYR   9           H        TYR   9  -5.476  -7.130  -0.406
   59    HA   TYR   9           HA       TYR   9  -7.836  -8.169  -1.551
   60   1HB   TYR   9          2HB       TYR   9  -5.574  -7.394  -2.597
   61   2HB   TYR   9          3HB       TYR   9  -4.969  -8.995  -2.229
   62    HD1  TYR   9           HD1      TYR   9  -5.996 -11.021  -3.357
   63    HD2  TYR   9           HD2      TYR   9  -7.049  -6.963  -4.418
   64    HE1  TYR   9           HE1      TYR   9  -6.847 -11.805  -5.536
   65    HE2  TYR   9           HE2      TYR   9  -7.920  -7.785  -6.580
   66    HH   TYR   9           HH       TYR   9  -7.530  -9.683  -8.128
   67    H    ASP  10           H        ASP  10  -5.039  -9.948  -0.181
   68    HA   ASP  10           HA       ASP  10  -6.134 -12.562  -0.558
   69   1HB   ASP  10          2HB       ASP  10  -3.710 -11.766   0.136
   70   2HB   ASP  10          3HB       ASP  10  -4.304 -11.862   1.780
   71    H    THR  11           H        THR  11  -6.061 -10.474   2.289
   72    HA   THR  11           HA       THR  11  -7.594 -12.152   4.026
   73    HB   THR  11           HB       THR  11  -7.153  -9.144   4.184
   74    HG1  THR  11           1HG      THR  11  -5.254  -9.940   4.346
   75   1HG2  THR  11          1HG2      THR  11  -7.894 -11.180   6.313
   76   2HG2  THR  11          2HG2      THR  11  -7.370  -9.503   6.608
   77   3HG2  THR  11          3HG2      THR  11  -8.896  -9.809   5.752
   78    H    CYS  12           H        CYS  12  -8.544  -9.352   1.948
   79    HA   CYS  12           HA       CYS  12 -11.303  -9.353   2.633
   80   1HB   CYS  12          2HB       CYS  12 -10.201  -7.527   1.379
   81   2HB   CYS  12          3HB       CYS  12 -10.019  -8.597  -0.019
   82    H    HIS  13           H        HIS  13  -9.430 -11.122   0.080
   83    HA   HIS  13           HA       HIS  13 -11.568 -12.529  -1.062
   84   1HB   HIS  13          2HB       HIS  13  -8.957 -12.559  -1.588
   85   2HB   HIS  13          3HB       HIS  13  -9.014 -13.972  -0.568
   86    HD1  HIS  13           HD1      HIS  13  -9.218 -16.027  -2.046
   87    HD2  HIS  13           HD2      HIS  13 -11.130 -12.617  -3.592
   88    HE1  HIS  13           HE1      HIS  13 -10.212 -16.736  -4.336
   89    HE2  HIS  13           HE2      HIS  13 -11.407 -14.601  -5.273
   90    H    LYS  14           H        LYS  14  -9.857 -13.246   1.916
   91    HA   LYS  14           HA       LYS  14 -11.135 -15.759   2.489
   92   1HB   LYS  14          2HB       LYS  14  -9.416 -13.873   3.941
   93   2HB   LYS  14          3HB       LYS  14 -10.709 -14.439   4.985
   94   1HG   LYS  14          2HG       LYS  14  -9.206 -16.114   5.345
   95   2HG   LYS  14          3HG       LYS  14 -10.051 -16.817   3.969
   96   1HD   LYS  14          2HD       LYS  14  -7.783 -17.034   3.399
   97   2HD   LYS  14          3HD       LYS  14  -8.269 -15.600   2.483
   98   1HE   LYS  14          2HE       LYS  14  -6.949 -14.186   3.673
   99   2HE   LYS  14          3HE       LYS  14  -7.355 -14.943   5.216
  100   1HZ   LYS  14          1HZ       LYS  14  -5.001 -15.206   3.793
  101   2HZ   LYS  14          2HZ       LYS  14  -5.453 -16.114   5.118
  102   3HZ   LYS  14          3HZ       LYS  14  -5.738 -16.626   3.572
  103    H    GLU  15           H        GLU  15 -12.022 -12.640   4.022
  104    HA   GLU  15           HA       GLU  15 -14.623 -13.571   4.853
  105   1HB   GLU  15          2HB       GLU  15 -13.371 -11.603   5.775
  106   2HB   GLU  15          3HB       GLU  15 -13.704 -10.718   4.299
  107   1HG   GLU  15          2HG       GLU  15 -15.940 -12.011   5.922
  108   2HG   GLU  15          3HG       GLU  15 -15.268 -10.477   6.428
  109    H    CYS  16           H        CYS  16 -13.466 -12.519   1.763
  110    HA   CYS  16           HA       CYS  16 -16.018 -11.889   0.697
  111   1HB   CYS  16          2HB       CYS  16 -13.880 -11.103  -0.235
  112   2HB   CYS  16          3HB       CYS  16 -13.561 -12.730  -0.837
  113    H    SER  17           H        SER  17 -13.851 -14.634  -0.073
  114    HA   SER  17           HA       SER  17 -15.752 -16.286  -1.378
  115   1HB   SER  17          2HB       SER  17 -13.018 -16.520  -0.610
  116   2HB   SER  17          3HB       SER  17 -13.850 -17.846   0.172
  117    HG   SER  17           HG       SER  17 -14.878 -18.003  -2.087
  118    H    ASP  18           H        ASP  18 -15.300 -15.662   2.064
  119    HA   ASP  18           HA       ASP  18 -16.696 -17.802   3.281
  120   1HB   ASP  18          2HB       ASP  18 -15.675 -16.231   4.721
  121   2HB   ASP  18          3HB       ASP  18 -16.374 -14.889   3.874
  122    H    LYS  19           H        LYS  19 -17.967 -14.940   1.479
  123    HA   LYS  19           HA       LYS  19 -20.662 -15.406   2.103
  124   1HB   LYS  19          2HB       LYS  19 -19.103 -13.739   0.240
  125   2HB   LYS  19          3HB       LYS  19 -20.491 -14.332  -0.535
  126   1HG   LYS  19          2HG       LYS  19 -21.017 -13.327   2.225
  127   2HG   LYS  19          3HG       LYS  19 -20.153 -12.154   1.241
  128   1HD   LYS  19          2HD       LYS  19 -22.065 -12.882  -0.569
  129   2HD   LYS  19          3HD       LYS  19 -22.904 -13.300   0.934
  130   1HE   LYS  19          2HE       LYS  19 -21.744 -10.773   1.442
  131   2HE   LYS  19          3HE       LYS  19 -22.177 -10.689  -0.270
  132   1HZ   LYS  19          1HZ       LYS  19 -24.419 -11.602   0.535
  133   2HZ   LYS  19          2HZ       LYS  19 -23.924 -11.184   2.044
  134   3HZ   LYS  19          3HZ       LYS  19 -24.101 -10.017   0.893
  135    H    GLY  20           H        GLY  20 -18.627 -17.399   0.454
  136   1HA   GLY  20          2HA       GLY  20 -18.959 -19.441  -0.523
  137   2HA   GLY  20          3HA       GLY  20 -20.712 -19.225  -0.415
  138    H    ASN  21           H        ASN  21 -18.840 -16.724  -1.876
  139    HA   ASN  21           HA       ASN  21 -20.137 -17.158  -4.468
  140   1HB   ASN  21          2HB       ASN  21 -18.808 -14.925  -3.086
  141   2HB   ASN  21          3HB       ASN  21 -18.431 -15.016  -4.788
  142   1HD2  ASN  21          1HD2      ASN  21 -20.237 -13.240  -3.036
  143   2HD2  ASN  21          2HD2      ASN  21 -21.692 -13.203  -4.075
  144    H    GLY  22           H        GLY  22 -18.635 -16.580  -6.361
  145   1HA   GLY  22          2HA       GLY  22 -16.635 -18.740  -6.567
  146   2HA   GLY  22          3HA       GLY  22 -17.083 -17.604  -7.859
  147    H    PHE  23           H        PHE  23 -14.435 -18.532  -6.834
  148    HA   PHE  23           HA       PHE  23 -13.015 -16.649  -5.400
  149   1HB   PHE  23          2HB       PHE  23 -11.937 -18.073  -7.886
  150   2HB   PHE  23          3HB       PHE  23 -11.055 -17.568  -6.462
  151    HD1  PHE  23           HD1      PHE  23 -13.093 -20.125  -8.030
  152    HD2  PHE  23           HD2      PHE  23 -11.481 -18.790  -4.254
  153    HE1  PHE  23           HE1      PHE  23 -13.501 -22.362  -7.061
  154    HE2  PHE  23           HE2      PHE  23 -11.871 -21.030  -3.297
  155    HZ   PHE  23           HZ       PHE  23 -12.872 -22.826  -4.699
  156    H    THR  24           H        THR  24 -13.107 -16.786  -8.983
  157    HA   THR  24           HA       THR  24 -11.818 -14.444  -9.617
  158    HB   THR  24           HB       THR  24 -13.849 -16.171 -10.937
  159    HG1  THR  24           1HG      THR  24 -11.536 -14.802 -11.827
  160   1HG2  THR  24          1HG2      THR  24 -15.011 -14.163 -11.584
  161   2HG2  THR  24          2HG2      THR  24 -13.489 -13.296 -11.892
  162   3HG2  THR  24          3HG2      THR  24 -14.010 -14.630 -12.945
  163    H    PHE  25           H        PHE  25 -15.389 -14.668  -9.299
  164    HA   PHE  25           HA       PHE  25 -15.949 -11.926  -9.449
  165   1HB   PHE  25          2HB       PHE  25 -17.710 -13.589  -9.457
  166   2HB   PHE  25          3HB       PHE  25 -17.204 -14.218  -7.889
  167    HD1  PHE  25           HD1      PHE  25 -17.943 -13.270  -5.833
  168    HD2  PHE  25           HD2      PHE  25 -18.683 -11.190  -9.527
  169    HE1  PHE  25           HE1      PHE  25 -19.482 -11.736  -4.658
  170    HE2  PHE  25           HE2      PHE  25 -20.267  -9.685  -8.360
  171    HZ   PHE  25           HZ       PHE  25 -20.710  -9.991  -5.924
  172    H    CYS  26           H        CYS  26 -15.171 -13.875  -6.489
  173    HA   CYS  26           HA       CYS  26 -15.287 -11.695  -4.750
  174   1HB   CYS  26          2HB       CYS  26 -14.378 -14.508  -4.703
  175   2HB   CYS  26          3HB       CYS  26 -13.395 -13.474  -3.721
  176    H    GLU  27           H        GLU  27 -12.725 -12.796  -6.903
  177    HA   GLU  27           HA       GLU  27 -10.609 -11.186  -5.781
  178   1HB   GLU  27          2HB       GLU  27 -10.987 -13.132  -7.976
  179   2HB   GLU  27          3HB       GLU  27 -10.107 -11.714  -8.509
  180   1HG   GLU  27          2HG       GLU  27  -8.822 -12.191  -6.185
  181   2HG   GLU  27          3HG       GLU  27  -9.366 -13.810  -6.503
  182    H    MET  28           H        MET  28 -12.281 -10.887  -8.920
  183    HA   MET  28           HA       MET  28 -11.500  -8.285  -9.582
  184   1HB   MET  28          2HB       MET  28 -13.511 -10.208 -10.431
  185   2HB   MET  28          3HB       MET  28 -14.289  -8.639 -10.312
  186   1HG   MET  28          2HG       MET  28 -12.840  -7.639 -11.851
  187   2HG   MET  28          3HG       MET  28 -11.659  -8.957 -11.771
  188   1HE   MET  28          1HE       MET  28 -13.426  -7.342 -14.019
  189   2HE   MET  28          2HE       MET  28 -12.282  -8.445 -14.823
  190   3HE   MET  28          3HE       MET  28 -14.020  -8.514 -15.217
  191    H    LYS  29           H        LYS  29 -13.823  -9.298  -7.207
  192    HA   LYS  29           HA       LYS  29 -14.846  -6.576  -6.803
  193   1HB   LYS  29          2HB       LYS  29 -16.192  -8.790  -6.561
  194   2HB   LYS  29          3HB       LYS  29 -15.417  -8.940  -4.995
  195   1HG   LYS  29          2HG       LYS  29 -16.705  -6.303  -5.829
  196   2HG   LYS  29          3HG       LYS  29 -17.737  -7.654  -5.423
  197   1HD   LYS  29          2HD       LYS  29 -15.782  -7.522  -3.315
  198   2HD   LYS  29          3HD       LYS  29 -16.240  -5.854  -3.640
  199   1HE   LYS  29          2HE       LYS  29 -18.386  -7.979  -3.512
  200   2HE   LYS  29          3HE       LYS  29 -17.618  -7.485  -1.994
  201   1HZ   LYS  29          1HZ       LYS  29 -19.604  -6.132  -2.584
  202   2HZ   LYS  29          2HZ       LYS  29 -18.228  -5.251  -2.384
  203   3HZ   LYS  29          3HZ       LYS  29 -18.787  -5.550  -3.901
  204    H    CYS  30           H        CYS  30 -13.118  -8.922  -4.710
  205    HA   CYS  30           HA       CYS  30 -12.353  -7.310  -2.582
  206   1HB   CYS  30          2HB       CYS  30 -10.958  -9.555  -4.028
  207   2HB   CYS  30          3HB       CYS  30 -10.255  -8.771  -2.625
  208    H    ASP  31           H        ASP  31 -11.062  -7.396  -5.863
  209    HA   ASP  31           HA       ASP  31  -8.768  -5.805  -5.529
  210   1HB   ASP  31          2HB       ASP  31  -9.860  -7.152  -7.637
  211   2HB   ASP  31          3HB       ASP  31 -10.524  -5.594  -8.002
  212    H    THR  32           H        THR  32 -11.975  -4.825  -6.719
  213    HA   THR  32           HA       THR  32 -11.421  -1.987  -6.250
  214    HB   THR  32           HB       THR  32 -13.670  -3.598  -7.406
  215    HG1  THR  32           1HG      THR  32 -12.431  -1.136  -8.045
  216   1HG2  THR  32          1HG2      THR  32 -14.048  -0.749  -6.378
  217   2HG2  THR  32          2HG2      THR  32 -15.059  -1.503  -7.623
  218   3HG2  THR  32          3HG2      THR  32 -15.020  -2.189  -5.983
  219    H    ASP  33           H        ASP  33 -12.579  -4.492  -4.232
  220    HA   ASP  33           HA       ASP  33 -14.263  -3.159  -2.440
  221   1HB   ASP  33          2HB       ASP  33 -13.943  -5.599  -2.418
  222   2HB   ASP  33          3HB       ASP  33 -12.253  -5.378  -1.959
  223    H    CYS  34           H        CYS  34 -10.917  -4.059  -1.723
  224    HA   CYS  34           HA       CYS  34 -10.697  -2.057   0.279
  225   1HB   CYS  34          2HB       CYS  34  -9.324  -4.242  -0.058
  226   2HB   CYS  34          3HB       CYS  34  -8.305  -3.295  -1.111
  227    H    SER  35           H        SER  35  -9.576  -2.223  -3.072
  228    HA   SER  35           HA       SER  35  -9.964   0.213  -3.995
  229   1HB   SER  35          2HB       SER  35  -8.927   1.521  -2.444
  230   2HB   SER  35          3HB       SER  35  -7.598   0.354  -2.218
  231    HG   SER  35           HG       SER  35  -6.564   1.137  -3.852
  232    H    VAL  36           H        VAL  36  -9.966  -0.590  -6.058
  233    HA   VAL  36           HA       VAL  36  -8.108  -2.374  -7.052
  234    HB   VAL  36           HB       VAL  36 -10.362  -1.522  -7.981
  235   1HG1  VAL  36          1HG1      VAL  36  -9.115   0.846  -8.434
  236   2HG1  VAL  36          2HG1      VAL  36  -8.940   0.086 -10.023
  237   3HG1  VAL  36          3HG1      VAL  36 -10.547   0.290  -9.302
  238   1HG2  VAL  36          1HG2      VAL  36  -8.888  -2.076 -10.423
  239   2HG2  VAL  36          2HG2      VAL  36  -8.352  -3.105  -9.097
  240   3HG2  VAL  36          3HG2      VAL  36 -10.054  -3.057  -9.522
  241    H    LYS  37           H        LYS  37  -7.111  -1.416  -9.367
  242    HA   LYS  37           HA       LYS  37  -5.609   1.026  -8.948
  243   1HB   LYS  37          2HB       LYS  37  -4.282  -0.351  -7.506
  244   2HB   LYS  37          3HB       LYS  37  -4.232  -1.666  -8.663
  245   1HG   LYS  37          2HG       LYS  37  -2.396  -0.869  -9.636
  246   2HG   LYS  37          3HG       LYS  37  -3.111   0.724  -9.917
  247   1HD   LYS  37          2HD       LYS  37  -2.041  -0.077  -7.191
  248   2HD   LYS  37          3HD       LYS  37  -1.007   0.626  -8.434
  249   1HE   LYS  37          2HE       LYS  37  -3.641   1.983  -7.770
  250   2HE   LYS  37          3HE       LYS  37  -2.295   2.161  -6.647
  251   1HZ   LYS  37          1HZ       LYS  37  -1.403   3.659  -8.015
  252   2HZ   LYS  37          2HZ       LYS  37  -1.322   2.568  -9.235
  253   3HZ   LYS  37          3HZ       LYS  37  -2.656   3.511  -9.081
  254    H    ASP  38           H        ASP  38  -5.605   1.954 -10.849
  255    HA   ASP  38           HA       ASP  38  -5.036   0.346 -13.273
  256   1HB   ASP  38          2HB       ASP  38  -7.610   1.075 -12.721
  257   2HB   ASP  38          3HB       ASP  38  -7.044   2.559 -13.477
  258    H    VAL  39           H        VAL  39  -3.504   1.309 -14.441
  259    HA   VAL  39           HA       VAL  39  -3.183   4.219 -14.540
  260    HB   VAL  39           HB       VAL  39  -1.031   2.423 -13.355
  261   1HG1  VAL  39          1HG1      VAL  39   0.268   3.782 -14.753
  262   2HG1  VAL  39          2HG1      VAL  39  -0.814   5.181 -14.593
  263   3HG1  VAL  39          3HG1      VAL  39   0.266   4.714 -13.261
  264   1HG2  VAL  39          1HG2      VAL  39  -2.432   3.170 -11.613
  265   2HG2  VAL  39          2HG2      VAL  39  -1.055   4.283 -11.562
  266   3HG2  VAL  39          3HG2      VAL  39  -2.585   4.800 -12.307
  267    H    LYS  40           H        LYS  40  -3.985   3.518 -16.641
  268    HA   LYS  40           HA       LYS  40  -2.739   1.838 -18.450
  269   1HB   LYS  40          2HB       LYS  40  -4.147   4.506 -18.856
  270   2HB   LYS  40          3HB       LYS  40  -3.516   3.585 -20.214
  271   1HG   LYS  40          2HG       LYS  40  -5.013   1.742 -18.556
  272   2HG   LYS  40          3HG       LYS  40  -5.982   3.212 -18.761
  273   1HD   LYS  40          2HD       LYS  40  -5.491   3.064 -21.254
  274   2HD   LYS  40          3HD       LYS  40  -4.749   1.483 -20.950
  275   1HE   LYS  40          2HE       LYS  40  -6.737   0.452 -20.814
  276   2HE   LYS  40          3HE       LYS  40  -7.346   1.621 -19.640
  277   1HZ   LYS  40          1HZ       LYS  40  -8.562   1.566 -21.822
  278   2HZ   LYS  40          2HZ       LYS  40  -8.025   3.055 -21.375
  279   3HZ   LYS  40          3HZ       LYS  40  -7.222   2.208 -22.535
  280    H    GLU  41           H        GLU  41  -2.127   5.302 -19.005
  281    HA   GLU  41           HA       GLU  41   0.695   4.945 -18.607
  282   1HB   GLU  41          2HB       GLU  41  -0.262   4.236 -21.182
  283   2HB   GLU  41          3HB       GLU  41   0.287   5.900 -21.364
  284   1HG   GLU  41          2HG       GLU  41   2.421   5.059 -20.043
  285   2HG   GLU  41          3HG       GLU  41   1.824   3.441 -20.434
  286    H    LYS  42           H        LYS  42   1.832   6.959 -18.899
  287    HA   LYS  42           HA       LYS  42   0.058   9.321 -18.393
  288   1HB   LYS  42          2HB       LYS  42   1.831   8.679 -16.685
  289   2HB   LYS  42          3HB       LYS  42   3.030   8.990 -17.943
  290   1HG   LYS  42          2HG       LYS  42   1.504  11.317 -18.043
  291   2HG   LYS  42          3HG       LYS  42   1.319  10.896 -16.356
  292   1HD   LYS  42          2HD       LYS  42   3.504  11.419 -15.857
  293   2HD   LYS  42          3HD       LYS  42   4.132  10.696 -17.335
  294   1HE   LYS  42          2HE       LYS  42   4.497  12.735 -18.125
  295   2HE   LYS  42          3HE       LYS  42   2.773  12.821 -18.418
  296   1HZ   LYS  42          1HZ       LYS  42   3.147  13.525 -15.768
  297   2HZ   LYS  42          2HZ       LYS  42   4.285  14.348 -16.651
  298   3HZ   LYS  42          3HZ       LYS  42   2.730  14.506 -17.064
  299    H    LEU  43           H        LEU  43  -0.309   8.793 -20.791
  300    HA   LEU  43           HA       LEU  43   1.443   9.381 -22.839
  301   1HB   LEU  43          2HB       LEU  43  -0.359   9.715 -24.227
  302   2HB   LEU  43          3HB       LEU  43  -1.069   8.715 -22.972
  303    HG   LEU  43           HG       LEU  43  -1.353  11.765 -23.194
  304   1HD1  LEU  43          1HD1      LEU  43  -3.510  11.453 -24.017
  305   2HD1  LEU  43          2HD1      LEU  43  -2.444  10.443 -25.000
  306   3HD1  LEU  43          3HD1      LEU  43  -3.460   9.689 -23.742
  307   1HD2  LEU  43          1HD2      LEU  43  -3.234  11.388 -21.523
  308   2HD2  LEU  43          2HD2      LEU  43  -2.615   9.727 -21.298
  309   3HD2  LEU  43          3HD2      LEU  43  -1.638  11.123 -20.850
  310    H    GLU  44           H        GLU  44   2.311  11.242 -23.782
  311    HA   GLU  44           HA       GLU  44   1.448  13.875 -23.169
  312   1HB   GLU  44          2HB       GLU  44   2.743  12.963 -20.938
  313   2HB   GLU  44          3HB       GLU  44   4.148  13.311 -21.913
  314   1HG   GLU  44          2HG       GLU  44   3.976  15.481 -21.361
  315   2HG   GLU  44          3HG       GLU  44   2.452  15.593 -22.211
  316    H    ASN  45           H        ASN  45   2.793  15.365 -24.286
  317    HA   ASN  45           HA       ASN  45   4.059  16.096 -26.070
  318   1HB   ASN  45          2HB       ASN  45   5.824  13.928 -24.936
  319   2HB   ASN  45          3HB       ASN  45   6.171  14.465 -26.562
  320   1HD2  ASN  45          1HD2      ASN  45   5.606  15.647 -23.261
  321   2HD2  ASN  45          2HD2      ASN  45   6.709  17.020 -23.455
  322    H    TYR  46           H        TYR  46   4.234  15.900 -28.300
  323    HA   TYR  46           HA       TYR  46   3.749  13.394 -29.658
  324   1HB   TYR  46          2HB       TYR  46   1.504  13.739 -30.385
  325   2HB   TYR  46          3HB       TYR  46   1.471  13.740 -28.650
  326    HD1  TYR  46           HD1      TYR  46   1.855  16.312 -27.578
  327    HD2  TYR  46           HD2      TYR  46   0.219  15.322 -31.452
  328    HE1  TYR  46           HE1      TYR  46   0.832  18.552 -27.712
  329    HE2  TYR  46           HE2      TYR  46  -0.869  17.563 -31.539
  330    HH   TYR  46           HH       TYR  46  -1.400  19.414 -28.986
  331    H    LYS  47           H        LYS  47   5.227  13.875 -31.186
  332    HA   LYS  47           HA       LYS  47   4.463  15.739 -33.229
  333   1HB   LYS  47          2HB       LYS  47   5.443  17.330 -31.416
  334   2HB   LYS  47          3HB       LYS  47   6.986  16.616 -31.789
  335   1HG   LYS  47          2HG       LYS  47   5.885  17.230 -34.332
  336   2HG   LYS  47          3HG       LYS  47   5.250  18.519 -33.298
  337   1HD   LYS  47          2HD       LYS  47   7.467  19.167 -32.605
  338   2HD   LYS  47          3HD       LYS  47   8.175  17.702 -33.318
  339   1HE   LYS  47          2HE       LYS  47   6.655  19.090 -35.357
  340   2HE   LYS  47          3HE       LYS  47   7.707  20.261 -34.551
  341   1HZ   LYS  47          1HZ       LYS  47   9.275  19.408 -35.907
  342   2HZ   LYS  47          2HZ       LYS  47   9.304  18.112 -34.880
  343   3HZ   LYS  47          3HZ       LYS  47   8.403  18.043 -36.251
  344    HA   PRO  48           HA       PRO  48   7.274  12.237 -34.320
  345   1HB   PRO  48          2HB       PRO  48   5.646  11.168 -36.310
  346   2HB   PRO  48          3HB       PRO  48   5.674  10.665 -34.598
  347   1HG   PRO  48          2HG       PRO  48   3.609  12.249 -36.020
  348   2HG   PRO  48          3HG       PRO  48   3.491  11.323 -34.497
  349   1HD   PRO  48          2HD       PRO  48   3.794  14.153 -34.821
  350   2HD   PRO  48          3HD       PRO  48   3.761  13.224 -33.294
  351    H    LYS  49           H        LYS  49   8.793  12.516 -35.813
  352    HA   LYS  49           HA       LYS  49   8.940  14.853 -37.461
  353   1HB   LYS  49          2HB       LYS  49  10.817  13.131 -36.620
  354   2HB   LYS  49          3HB       LYS  49  10.477  12.332 -38.161
  355   1HG   LYS  49          2HG       LYS  49  10.963  14.472 -39.355
  356   2HG   LYS  49          3HG       LYS  49  11.252  15.267 -37.792
  357   1HD   LYS  49          2HD       LYS  49  13.130  13.675 -37.365
  358   2HD   LYS  49          3HD       LYS  49  12.819  12.922 -38.937
  359   1HE   LYS  49          2HE       LYS  49  14.255  14.384 -39.832
  360   2HE   LYS  49          3HE       LYS  49  12.992  15.593 -39.643
  361   1HZ   LYS  49          1HZ       LYS  49  15.477  15.569 -38.422
  362   2HZ   LYS  49          2HZ       LYS  49  14.256  16.619 -38.099
  363   3HZ   LYS  49          3HZ       LYS  49  14.425  15.239 -37.212
  364    H    ASN  50           H        ASN  50   9.060  14.908 -39.836
  365    HA   ASN  50           HA       ASN  50   6.640  13.978 -41.103
  366   1HB   ASN  50          2HB       ASN  50   7.848  15.985 -41.906
  367   2HB   ASN  50          3HB       ASN  50   9.289  14.986 -42.230
  368   1HD2  ASN  50          1HD2      ASN  50   9.048  16.089 -44.434
  369   2HD2  ASN  50          2HD2      ASN  50   7.949  15.149 -45.471
  Start of MODEL   20
    1   1H    ASP   1           H1       ASP   1   1.858  -0.486   0.678
    2   2H    ASP   1           H2       ASP   1   0.413  -0.446  -0.138
    3   3H    ASP   1           H3       ASP   1   1.135   0.962   0.308
    4    HA   ASP   1           HA       ASP   1   1.509  -0.473  -2.060
    5   1HB   ASP   1          2HB       ASP   1   2.830   1.997  -0.863
    6   2HB   ASP   1          3HB       ASP   1   3.132   1.459  -2.528
    7    H    GLU   2           H        GLU   2   3.998  -0.321  -2.923
    8    HA   GLU   2           HA       GLU   2   5.795  -1.678  -0.967
    9   1HB   GLU   2          2HB       GLU   2   6.459  -2.917  -3.231
   10   2HB   GLU   2          3HB       GLU   2   5.241  -3.556  -2.129
   11   1HG   GLU   2          2HG       GLU   2   3.425  -2.789  -3.493
   12   2HG   GLU   2          3HG       GLU   2   4.470  -1.759  -4.480
   13    H    ALA   3           H        ALA   3   7.566  -0.558  -0.849
   14    HA   ALA   3           HA       ALA   3   9.317   0.189  -2.879
   15   1HB   ALA   3          1HB       ALA   3   7.915   1.824  -3.866
   16   2HB   ALA   3          2HB       ALA   3   7.234   2.334  -2.295
   17   3HB   ALA   3          3HB       ALA   3   8.892   2.807  -2.788
   18    H    GLN   4           H        GLN   4   8.627   2.825  -0.726
   19    HA   GLN   4           HA       GLN   4  11.055   2.789   0.564
   20   1HB   GLN   4          2HB       GLN   4   8.589   4.265   0.806
   21   2HB   GLN   4          3HB       GLN   4   8.951   3.686   2.417
   22   1HG   GLN   4          2HG       GLN   4  11.462   4.628   1.480
   23   2HG   GLN   4          3HG       GLN   4  10.282   5.752   0.802
   24   1HE2  GLN   4          1HE2      GLN   4   9.248   7.187   2.197
   25   2HE2  GLN   4          2HE2      GLN   4   9.639   7.203   3.944
   26    H    PHE   5           H        PHE   5   8.371   0.793   1.194
   27    HA   PHE   5           HA       PHE   5   9.384  -0.287   3.755
   28   1HB   PHE   5          2HB       PHE   5   6.912   0.128   3.140
   29   2HB   PHE   5          3HB       PHE   5   7.064  -1.202   1.997
   30    HD1  PHE   5           HD1      PHE   5   6.381  -0.292   5.382
   31    HD2  PHE   5           HD2      PHE   5   7.905  -3.549   2.953
   32    HE1  PHE   5           HE1      PHE   5   5.849  -1.955   7.159
   33    HE2  PHE   5           HE2      PHE   5   7.396  -5.126   4.778
   34    HZ   PHE   5           HZ       PHE   5   6.433  -4.309   6.899
   35    H    LYS   6           H        LYS   6   8.959  -1.280   0.363
   36    HA   LYS   6           HA       LYS   6   9.873  -4.003   0.781
   37   1HB   LYS   6          2HB       LYS   6   8.630  -2.698  -1.314
   38   2HB   LYS   6          3HB       LYS   6  10.290  -2.679  -1.904
   39   1HG   LYS   6          2HG       LYS   6   9.089  -5.232  -0.769
   40   2HG   LYS   6          3HG       LYS   6   8.633  -4.717  -2.388
   41   1HD   LYS   6          2HD       LYS   6  10.867  -4.880  -3.221
   42   2HD   LYS   6          3HD       LYS   6  11.574  -4.938  -1.619
   43   1HE   LYS   6          2HE       LYS   6  11.716  -7.133  -2.254
   44   2HE   LYS   6          3HE       LYS   6  10.296  -7.106  -1.203
   45   1HZ   LYS   6          1HZ       LYS   6   9.984  -8.298  -3.381
   46   2HZ   LYS   6          2HZ       LYS   6   8.882  -7.096  -3.124
   47   3HZ   LYS   6          3HZ       LYS   6  10.136  -6.849  -4.147
   48    H    GLU   7           H        GLU   7  11.469  -0.931   0.389
   49    HA   GLU   7           HA       GLU   7  14.077  -2.170   0.003
   50   1HB   GLU   7          2HB       GLU   7  13.028   0.635   0.373
   51   2HB   GLU   7          3HB       GLU   7  14.754   0.313   0.620
   52   1HG   GLU   7          2HG       GLU   7  15.100  -0.430  -1.591
   53   2HG   GLU   7          3HG       GLU   7  13.371  -0.643  -1.895
   54    H    CYS   8           H        CYS   8  12.098  -1.068   2.733
   55    HA   CYS   8           HA       CYS   8  14.383  -1.207   4.592
   56   1HB   CYS   8          2HB       CYS   8  11.927   0.042   4.694
   57   2HB   CYS   8          3HB       CYS   8  11.570  -1.469   5.516
   58    H    TYR   9           H        TYR   9  11.606  -3.254   3.651
   59    HA   TYR   9           HA       TYR   9  12.163  -5.393   5.447
   60   1HB   TYR   9          2HB       TYR   9  10.124  -4.875   3.894
   61   2HB   TYR   9          3HB       TYR   9  11.049  -5.618   2.601
   62    HD1  TYR   9           HD1      TYR   9  11.717  -8.081   2.771
   63    HD2  TYR   9           HD2      TYR   9   9.037  -6.133   5.592
   64    HE1  TYR   9           HE1      TYR   9  10.770 -10.283   3.450
   65    HE2  TYR   9           HE2      TYR   9   8.130  -8.356   6.166
   66    HH   TYR   9           HH       TYR   9   7.905 -10.530   5.563
   67    H    ASP  10           H        ASP  10  13.112  -4.982   2.007
   68    HA   ASP  10           HA       ASP  10  14.619  -7.410   1.870
   69   1HB   ASP  10          2HB       ASP  10  13.831  -5.661  -0.005
   70   2HB   ASP  10          3HB       ASP  10  15.402  -4.927   0.283
   71    H    THR  11           H        THR  11  15.652  -4.036   2.378
   72    HA   THR  11           HA       THR  11  18.405  -4.598   2.774
   73    HB   THR  11           HB       THR  11  16.777  -2.239   3.755
   74    HG1  THR  11           1HG      THR  11  16.801  -1.799   1.752
   75   1HG2  THR  11          1HG2      THR  11  19.590  -2.836   4.075
   76   2HG2  THR  11          2HG2      THR  11  19.377  -1.439   3.000
   77   3HG2  THR  11          3HG2      THR  11  18.642  -1.416   4.614
   78    H    CYS  12           H        CYS  12  15.709  -4.181   5.143
   79    HA   CYS  12           HA       CYS  12  17.236  -4.521   7.505
   80   1HB   CYS  12          2HB       CYS  12  14.909  -3.710   7.507
   81   2HB   CYS  12          3HB       CYS  12  14.338  -5.319   7.001
   82    H    HIS  13           H        HIS  13  15.589  -6.887   5.326
   83    HA   HIS  13           HA       HIS  13  16.219  -9.233   6.729
   84   1HB   HIS  13          2HB       HIS  13  14.912  -8.830   4.434
   85   2HB   HIS  13          3HB       HIS  13  16.478  -9.232   3.771
   86    HD1  HIS  13           HD1      HIS  13  17.034 -11.743   3.735
   87    HD2  HIS  13           HD2      HIS  13  13.681 -10.698   6.084
   88    HE1  HIS  13           HE1      HIS  13  15.933 -13.943   4.437
   89    HE2  HIS  13           HE2      HIS  13  13.843 -13.313   5.872
   90    H    LYS  14           H        LYS  14  18.251  -7.346   4.541
   91    HA   LYS  14           HA       LYS  14  20.489  -9.156   4.463
   92   1HB   LYS  14          2HB       LYS  14  19.948  -6.839   3.202
   93   2HB   LYS  14          3HB       LYS  14  20.951  -6.160   4.493
   94   1HG   LYS  14          2HG       LYS  14  22.789  -7.647   3.958
   95   2HG   LYS  14          3HG       LYS  14  21.804  -8.504   2.765
   96   1HD   LYS  14          2HD       LYS  14  21.874  -5.548   2.344
   97   2HD   LYS  14          3HD       LYS  14  23.461  -6.311   2.280
   98   1HE   LYS  14          2HE       LYS  14  21.636  -8.013   0.843
   99   2HE   LYS  14          3HE       LYS  14  21.282  -6.371   0.318
  100   1HZ   LYS  14          1HZ       LYS  14  23.197  -7.766  -0.786
  101   2HZ   LYS  14          2HZ       LYS  14  23.390  -6.147  -0.553
  102   3HZ   LYS  14          3HZ       LYS  14  24.083  -7.215   0.487
  103    H    GLU  15           H        GLU  15  20.348  -6.186   6.494
  104    HA   GLU  15           HA       GLU  15  22.454  -7.042   8.254
  105   1HB   GLU  15          2HB       GLU  15  21.337  -4.668   7.903
  106   2HB   GLU  15          3HB       GLU  15  20.169  -5.258   9.091
  107   1HG   GLU  15          2HG       GLU  15  22.473  -5.904  10.401
  108   2HG   GLU  15          3HG       GLU  15  23.106  -4.625   9.384
  109    H    CYS  16           H        CYS  16  19.123  -7.967   8.076
  110    HA   CYS  16           HA       CYS  16  18.909  -8.926  10.753
  111   1HB   CYS  16          2HB       CYS  16  16.970  -8.347   9.360
  112   2HB   CYS  16          3HB       CYS  16  17.283  -9.767   8.339
  113    H    SER  17           H        SER  17  18.869 -10.801   7.694
  114    HA   SER  17           HA       SER  17  19.533 -13.329   8.756
  115   1HB   SER  17          2HB       SER  17  19.153 -12.240   6.169
  116   2HB   SER  17          3HB       SER  17  20.801 -12.845   6.156
  117    HG   SER  17           HG       SER  17  20.084 -14.846   6.420
  118    H    ASP  18           H        ASP  18  21.614 -10.516   8.182
  119    HA   ASP  18           HA       ASP  18  24.200 -11.655   8.180
  120   1HB   ASP  18          2HB       ASP  18  24.070  -9.318   7.825
  121   2HB   ASP  18          3HB       ASP  18  22.995  -9.104   9.193
  122    H    LYS  19           H        LYS  19  21.871 -11.148  10.884
  123    HA   LYS  19           HA       LYS  19  23.711 -11.799  12.915
  124   1HB   LYS  19          2HB       LYS  19  20.780 -11.343  12.663
  125   2HB   LYS  19          3HB       LYS  19  21.084 -12.649  13.696
  126   1HG   LYS  19          2HG       LYS  19  22.929 -10.363  14.180
  127   2HG   LYS  19          3HG       LYS  19  21.259  -9.833  14.166
  128   1HD   LYS  19          2HD       LYS  19  20.688 -11.037  16.042
  129   2HD   LYS  19          3HD       LYS  19  21.869 -12.338  15.726
  130   1HE   LYS  19          2HE       LYS  19  23.726 -10.920  16.332
  131   2HE   LYS  19          3HE       LYS  19  22.651  -9.540  16.605
  132   1HZ   LYS  19          1HZ       LYS  19  21.584 -10.789  18.368
  133   2HZ   LYS  19          2HZ       LYS  19  22.522 -12.112  18.080
  134   3HZ   LYS  19          3HZ       LYS  19  23.203 -10.735  18.675
  135    H    GLY  20           H        GLY  20  22.616 -13.706  10.472
  136   1HA   GLY  20          2HA       GLY  20  23.161 -15.883   9.944
  137   2HA   GLY  20          3HA       GLY  20  23.794 -16.131  11.591
  138    H    ASN  21           H        ASN  21  20.626 -14.761  11.203
  139    HA   ASN  21           HA       ASN  21  19.407 -17.083  12.522
  140   1HB   ASN  21          2HB       ASN  21  18.753 -14.239  12.143
  141   2HB   ASN  21          3HB       ASN  21  17.369 -15.295  11.977
  142   1HD2  ASN  21          1HD2      ASN  21  18.377 -13.388  14.108
  143   2HD2  ASN  21          2HD2      ASN  21  18.156 -14.396  15.581
  144    H    GLY  22           H        GLY  22  17.061 -17.429  11.663
  145   1HA   GLY  22          2HA       GLY  22  17.363 -18.593   8.955
  146   2HA   GLY  22          3HA       GLY  22  15.932 -18.749  10.024
  147    H    PHE  23           H        PHE  23  16.163 -18.076   7.182
  148    HA   PHE  23           HA       PHE  23  15.685 -15.394   6.559
  149   1HB   PHE  23          2HB       PHE  23  15.878 -17.535   5.065
  150   2HB   PHE  23          3HB       PHE  23  14.152 -17.732   5.317
  151    HD1  PHE  23           HD1      PHE  23  12.720 -15.312   4.882
  152    HD2  PHE  23           HD2      PHE  23  16.476 -16.555   3.080
  153    HE1  PHE  23           HE1      PHE  23  12.359 -13.778   2.991
  154    HE2  PHE  23           HE2      PHE  23  16.045 -14.991   1.194
  155    HZ   PHE  23           HZ       PHE  23  13.981 -13.587   1.194
  156    H    THR  24           H        THR  24  13.149 -17.863   7.113
  157    HA   THR  24           HA       THR  24  10.919 -16.255   7.106
  158    HB   THR  24           HB       THR  24  11.644 -18.869   8.326
  159    HG1  THR  24           1HG      THR  24   9.444 -17.791   6.938
  160   1HG2  THR  24          1HG2      THR  24  10.520 -18.163  10.321
  161   2HG2  THR  24          2HG2      THR  24   9.280 -17.274   9.395
  162   3HG2  THR  24          3HG2      THR  24   9.328 -19.055   9.394
  163    H    PHE  25           H        PHE  25  12.610 -17.177  10.145
  164    HA   PHE  25           HA       PHE  25  11.279 -15.424  11.856
  165   1HB   PHE  25          2HB       PHE  25  12.858 -17.096  12.645
  166   2HB   PHE  25          3HB       PHE  25  14.165 -16.362  11.710
  167    HD1  PHE  25           HD1      PHE  25  15.491 -14.580  12.557
  168    HD2  PHE  25           HD2      PHE  25  11.882 -15.733  14.603
  169    HE1  PHE  25           HE1      PHE  25  16.119 -13.145  14.486
  170    HE2  PHE  25           HE2      PHE  25  12.548 -14.347  16.558
  171    HZ   PHE  25           HZ       PHE  25  14.708 -13.087  16.507
  172    H    CYS  26           H        CYS  26  14.198 -14.711   9.831
  173    HA   CYS  26           HA       CYS  26  14.437 -12.066  10.720
  174   1HB   CYS  26          2HB       CYS  26  15.575 -13.795   8.592
  175   2HB   CYS  26          3HB       CYS  26  15.364 -12.155   8.069
  176    H    GLU  27           H        GLU  27  12.384 -13.562   8.302
  177    HA   GLU  27           HA       GLU  27  11.514 -11.101   7.033
  178   1HB   GLU  27          2HB       GLU  27  11.060 -14.027   6.732
  179   2HB   GLU  27          3HB       GLU  27   9.540 -13.142   6.790
  180   1HG   GLU  27          2HG       GLU  27  11.046 -11.575   5.109
  181   2HG   GLU  27          3HG       GLU  27  11.791 -13.073   4.870
  182    H    MET  28           H        MET  28   9.662 -13.407   9.064
  183    HA   MET  28           HA       MET  28   7.494 -11.736   9.653
  184   1HB   MET  28          2HB       MET  28   8.938 -13.952  11.139
  185   2HB   MET  28          3HB       MET  28   7.703 -13.032  12.003
  186   1HG   MET  28          2HG       MET  28   6.044 -13.546  10.342
  187   2HG   MET  28          3HG       MET  28   7.220 -14.431   9.359
  188   1HE   MET  28          1HE       MET  28   4.488 -15.129  10.333
  189   2HE   MET  28          2HE       MET  28   4.506 -16.766  11.023
  190   3HE   MET  28          3HE       MET  28   4.367 -15.349  12.092
  191    H    LYS  29           H        LYS  29  10.743 -11.550  10.913
  192    HA   LYS  29           HA       LYS  29  10.028  -9.622  13.000
  193   1HB   LYS  29          2HB       LYS  29  12.014 -11.385  13.019
  194   2HB   LYS  29          3HB       LYS  29  12.861 -10.159  12.097
  195   1HG   LYS  29          2HG       LYS  29  13.345  -9.264  14.164
  196   2HG   LYS  29          3HG       LYS  29  11.682  -8.671  14.157
  197   1HD   LYS  29          2HD       LYS  29  11.394 -11.362  15.009
  198   2HD   LYS  29          3HD       LYS  29  12.913 -10.863  15.737
  199   1HE   LYS  29          2HE       LYS  29  10.326  -9.241  15.868
  200   2HE   LYS  29          3HE       LYS  29  10.711 -10.513  17.034
  201   1HZ   LYS  29          1HZ       LYS  29  12.960  -9.070  17.072
  202   2HZ   LYS  29          2HZ       LYS  29  11.892  -7.875  16.742
  203   3HZ   LYS  29          3HZ       LYS  29  11.716  -8.794  18.110
  204    H    CYS  30           H        CYS  30  12.200  -9.435  10.119
  205    HA   CYS  30           HA       CYS  30  12.503  -6.680   9.990
  206   1HB   CYS  30          2HB       CYS  30  12.262  -8.839   7.871
  207   2HB   CYS  30          3HB       CYS  30  12.592  -7.162   7.446
  208    H    ASP  31           H        ASP  31   9.723  -8.663   9.091
  209    HA   ASP  31           HA       ASP  31   8.209  -6.781   7.639
  210   1HB   ASP  31          2HB       ASP  31   7.816  -9.414   8.228
  211   2HB   ASP  31          3HB       ASP  31   6.912  -8.786   9.555
  212    H    THR  32           H        THR  32   7.898  -7.733  11.031
  213    HA   THR  32           HA       THR  32   6.228  -5.420  11.672
  214    HB   THR  32           HB       THR  32   7.419  -7.725  13.177
  215    HG1  THR  32           1HG      THR  32   5.353  -8.182  13.226
  216   1HG2  THR  32          1HG2      THR  32   6.057  -5.423  14.599
  217   2HG2  THR  32          2HG2      THR  32   6.714  -6.924  15.329
  218   3HG2  THR  32          3HG2      THR  32   7.809  -5.700  14.698
  219    H    ASP  33           H        ASP  33   9.672  -5.970  11.546
  220    HA   ASP  33           HA       ASP  33  10.668  -4.068  13.360
  221   1HB   ASP  33          2HB       ASP  33  12.147  -5.703  12.226
  222   2HB   ASP  33          3HB       ASP  33  11.718  -4.968  10.678
  223    H    CYS  34           H        CYS  34  10.554  -3.651   9.828
  224    HA   CYS  34           HA       CYS  34  10.282  -0.730  10.232
  225   1HB   CYS  34          2HB       CYS  34  11.784  -2.198   8.446
  226   2HB   CYS  34          3HB       CYS  34  10.376  -1.812   7.464
  227    H    SER  35           H        SER  35   8.176  -0.490  10.891
  228    HA   SER  35           HA       SER  35   6.112  -0.733   8.801
  229   1HB   SER  35          2HB       SER  35   6.087  -2.385  11.342
  230   2HB   SER  35          3HB       SER  35   4.568  -1.762  10.646
  231    HG   SER  35           HG       SER  35   6.216  -3.770   9.644
  232    H    VAL  36           H        VAL  36   5.072   1.088   8.772
  233    HA   VAL  36           HA       VAL  36   5.316   2.949  10.912
  234    HB   VAL  36           HB       VAL  36   3.488   3.410   8.590
  235   1HG1  VAL  36          1HG1      VAL  36   5.131   5.646   8.952
  236   2HG1  VAL  36          2HG1      VAL  36   3.516   5.429   9.619
  237   3HG1  VAL  36          3HG1      VAL  36   4.956   5.046  10.594
  238   1HG2  VAL  36          1HG2      VAL  36   5.222   2.530   7.317
  239   2HG2  VAL  36          2HG2      VAL  36   5.633   4.245   7.331
  240   3HG2  VAL  36          3HG2      VAL  36   6.493   3.132   8.411
  241    H    LYS  37           H        LYS  37   2.967   4.217  11.046
  242    HA   LYS  37           HA       LYS  37   1.293   2.215  12.497
  243   1HB   LYS  37          2HB       LYS  37   2.155   4.571  13.432
  244   2HB   LYS  37          3HB       LYS  37   0.754   5.182  12.548
  245   1HG   LYS  37          2HG       LYS  37  -0.095   2.825  14.037
  246   2HG   LYS  37          3HG       LYS  37   0.964   3.736  15.097
  247   1HD   LYS  37          2HD       LYS  37  -0.604   5.785  14.169
  248   2HD   LYS  37          3HD       LYS  37  -1.709   4.439  13.910
  249   1HE   LYS  37          2HE       LYS  37  -2.300   4.896  16.044
  250   2HE   LYS  37          3HE       LYS  37  -0.948   3.809  16.413
  251   1HZ   LYS  37          1HZ       LYS  37  -1.120   6.276  17.392
  252   2HZ   LYS  37          2HZ       LYS  37   0.341   5.574  17.083
  253   3HZ   LYS  37          3HZ       LYS  37  -0.315   6.626  16.008
  254    H    ASP  38           H        ASP  38  -1.170   3.217  12.405
  255    HA   ASP  38           HA       ASP  38  -1.965   2.990   9.528
  256   1HB   ASP  38          2HB       ASP  38  -2.648   1.250  11.514
  257   2HB   ASP  38          3HB       ASP  38  -3.841   2.514  11.838
  258    H    VAL  39           H        VAL  39  -3.963   4.145   9.042
  259    HA   VAL  39           HA       VAL  39  -4.854   6.348  10.734
  260    HB   VAL  39           HB       VAL  39  -3.122   6.823   8.275
  261   1HG1  VAL  39          1HG1      VAL  39  -5.306   8.602   9.411
  262   2HG1  VAL  39          2HG1      VAL  39  -3.877   9.302   8.589
  263   3HG1  VAL  39          3HG1      VAL  39  -4.937   8.212   7.719
  264   1HG2  VAL  39          1HG2      VAL  39  -3.105   7.739  11.167
  265   2HG2  VAL  39          2HG2      VAL  39  -1.803   6.999  10.204
  266   3HG2  VAL  39          3HG2      VAL  39  -2.248   8.675   9.924
  267    H    LYS  40           H        LYS  40  -6.755   5.220  10.568
  268    HA   LYS  40           HA       LYS  40  -8.059   4.212   8.356
  269   1HB   LYS  40          2HB       LYS  40  -9.252   5.829  10.653
  270   2HB   LYS  40          3HB       LYS  40 -10.225   4.871   9.525
  271   1HG   LYS  40          2HG       LYS  40  -9.169   2.805  10.204
  272   2HG   LYS  40          3HG       LYS  40  -7.956   3.642  11.164
  273   1HD   LYS  40          2HD       LYS  40  -9.255   3.481  12.959
  274   2HD   LYS  40          3HD       LYS  40 -10.376   4.611  12.224
  275   1HE   LYS  40          2HE       LYS  40 -11.897   2.975  12.348
  276   2HE   LYS  40          3HE       LYS  40 -11.099   2.306  10.917
  277   1HZ   LYS  40          1HZ       LYS  40  -9.806   0.870  12.300
  278   2HZ   LYS  40          2HZ       LYS  40 -10.267   1.639  13.674
  279   3HZ   LYS  40          3HZ       LYS  40 -11.356   0.729  12.852
  280    H    GLU  41           H        GLU  41  -9.043   4.944   6.585
  281    HA   GLU  41           HA       GLU  41  -8.677   7.802   5.883
  282   1HB   GLU  41          2HB       GLU  41  -9.022   5.211   4.416
  283   2HB   GLU  41          3HB       GLU  41  -9.677   6.626   3.616
  284   1HG   GLU  41          2HG       GLU  41  -6.856   6.568   4.726
  285   2HG   GLU  41          3HG       GLU  41  -7.270   6.104   3.068
  286    H    LYS  42           H        LYS  42 -10.536   7.407   7.886
  287    HA   LYS  42           HA       LYS  42 -12.827   8.597   6.637
  288   1HB   LYS  42          2HB       LYS  42 -13.028   5.839   6.794
  289   2HB   LYS  42          3HB       LYS  42 -13.629   6.268   8.382
  290   1HG   LYS  42          2HG       LYS  42 -14.844   8.072   6.435
  291   2HG   LYS  42          3HG       LYS  42 -14.894   6.463   5.743
  292   1HD   LYS  42          2HD       LYS  42 -16.317   5.649   7.341
  293   2HD   LYS  42          3HD       LYS  42 -15.755   6.738   8.629
  294   1HE   LYS  42          2HE       LYS  42 -17.054   8.508   7.998
  295   2HE   LYS  42          3HE       LYS  42 -17.062   8.052   6.295
  296   1HZ   LYS  42          1HZ       LYS  42 -19.178   7.490   6.967
  297   2HZ   LYS  42          2HZ       LYS  42 -18.416   6.047   7.186
  298   3HZ   LYS  42          3HZ       LYS  42 -18.720   7.020   8.480
  299    H    LEU  43           H        LEU  43 -14.616   8.729   8.658
  300    HA   LEU  43           HA       LEU  43 -13.492   9.124  11.202
  301   1HB   LEU  43          2HB       LEU  43 -12.427  11.089  10.704
  302   2HB   LEU  43          3HB       LEU  43 -13.334  11.350   9.231
  303    HG   LEU  43           HG       LEU  43 -15.271  12.104  10.642
  304   1HD1  LEU  43          1HD1      LEU  43 -15.034  11.995  12.972
  305   2HD1  LEU  43          2HD1      LEU  43 -13.399  11.383  12.800
  306   3HD1  LEU  43          3HD1      LEU  43 -13.717  13.132  12.875
  307   1HD2  LEU  43          1HD2      LEU  43 -14.404  14.348  10.914
  308   2HD2  LEU  43          2HD2      LEU  43 -12.760  13.731  10.553
  309   3HD2  LEU  43          3HD2      LEU  43 -14.068  13.614   9.341
  310    H    GLU  44           H        GLU  44 -15.091   9.904  12.708
  311    HA   GLU  44           HA       GLU  44 -17.808   9.095  11.964
  312   1HB   GLU  44          2HB       GLU  44 -16.610  10.098  14.583
  313   2HB   GLU  44          3HB       GLU  44 -18.274   9.567  14.362
  314   1HG   GLU  44          2HG       GLU  44 -17.369   7.571  15.085
  315   2HG   GLU  44          3HG       GLU  44 -17.253   7.386  13.345
  316    H    ASN  45           H        ASN  45 -19.645  10.442  12.791
  317    HA   ASN  45           HA       ASN  45 -19.262  13.277  11.866
  318   1HB   ASN  45          2HB       ASN  45 -21.464  13.263  11.094
  319   2HB   ASN  45          3HB       ASN  45 -20.816  11.713  10.540
  320   1HD2  ASN  45          1HD2      ASN  45 -23.302  13.252  12.306
  321   2HD2  ASN  45          2HD2      ASN  45 -23.931  11.770  13.061
  322    H    TYR  46           H        TYR  46 -21.351  14.495  12.847
  323    HA   TYR  46           HA       TYR  46 -21.634  13.952  15.725
  324   1HB   TYR  46          2HB       TYR  46 -20.921  16.233  16.231
  325   2HB   TYR  46          3HB       TYR  46 -19.617  15.352  15.444
  326    HD1  TYR  46           HD1      TYR  46 -21.378  18.410  15.472
  327    HD2  TYR  46           HD2      TYR  46 -19.472  15.662  12.727
  328    HE1  TYR  46           HE1      TYR  46 -21.199  20.204  13.739
  329    HE2  TYR  46           HE2      TYR  46 -19.386  17.416  11.015
  330    HH   TYR  46           HH       TYR  46 -19.593  20.600  11.678
  331    H    LYS  47           H        LYS  47 -23.474  14.824  16.577
  332    HA   LYS  47           HA       LYS  47 -25.287  16.298  14.722
  333   1HB   LYS  47          2HB       LYS  47 -25.677  13.648  15.563
  334   2HB   LYS  47          3HB       LYS  47 -26.793  14.586  16.555
  335   1HG   LYS  47          2HG       LYS  47 -26.525  15.025  13.544
  336   2HG   LYS  47          3HG       LYS  47 -27.600  13.806  14.212
  337   1HD   LYS  47          2HD       LYS  47 -27.787  16.631  15.317
  338   2HD   LYS  47          3HD       LYS  47 -28.438  16.320  13.719
  339   1HE   LYS  47          2HE       LYS  47 -29.158  14.255  15.736
  340   2HE   LYS  47          3HE       LYS  47 -29.733  15.873  16.155
  341   1HZ   LYS  47          1HZ       LYS  47 -31.342  14.682  14.759
  342   2HZ   LYS  47          2HZ       LYS  47 -30.773  16.021  13.989
  343   3HZ   LYS  47          3HZ       LYS  47 -30.227  14.537  13.554
  344    HA   PRO  48           HA       PRO  48 -24.729  18.779  18.459
  345   1HB   PRO  48          2HB       PRO  48 -24.825  21.242  17.131
  346   2HB   PRO  48          3HB       PRO  48 -23.351  20.286  17.477
  347   1HG   PRO  48          2HG       PRO  48 -24.755  20.676  14.885
  348   2HG   PRO  48          3HG       PRO  48 -23.067  20.178  15.212
  349   1HD   PRO  48          2HD       PRO  48 -25.290  18.524  14.496
  350   2HD   PRO  48          3HD       PRO  48 -23.639  17.999  14.917
  351    H    LYS  49           H        LYS  49 -26.209  19.962  19.587
  352    HA   LYS  49           HA       LYS  49 -28.968  19.481  18.933
  353   1HB   LYS  49          2HB       LYS  49 -27.954  19.659  21.283
  354   2HB   LYS  49          3HB       LYS  49 -27.909  21.396  21.081
  355   1HG   LYS  49          2HG       LYS  49 -30.534  20.050  20.413
  356   2HG   LYS  49          3HG       LYS  49 -30.040  19.942  22.087
  357   1HD   LYS  49          2HD       LYS  49 -29.679  22.681  21.061
  358   2HD   LYS  49          3HD       LYS  49 -31.319  22.130  20.786
  359   1HE   LYS  49          2HE       LYS  49 -31.835  22.048  23.001
  360   2HE   LYS  49          3HE       LYS  49 -30.239  21.461  23.485
  361   1HZ   LYS  49          1HZ       LYS  49 -30.408  24.201  22.514
  362   2HZ   LYS  49          2HZ       LYS  49 -30.969  23.909  24.029
  363   3HZ   LYS  49          3HZ       LYS  49 -29.406  23.562  23.640
  364    H    ASN  50           H        ASN  50 -27.487  22.670  19.478
  365    HA   ASN  50           HA       ASN  50 -29.289  23.851  17.427
  366   1HB   ASN  50          2HB       ASN  50 -28.744  24.661  20.098
  367   2HB   ASN  50          3HB       ASN  50 -27.776  25.743  19.131
  368   1HD2  ASN  50          1HD2      ASN  50 -30.692  25.393  20.483
  369   2HD2  ASN  50          2HD2      ASN  50 -31.595  26.478  19.371
  Start of MODEL   21
    1   1H    ASP   1           H1       ASP   1   1.767  -0.398   0.704
    2   2H    ASP   1           H2       ASP   1   0.362  -0.325  -0.127
    3   3H    ASP   1           H3       ASP   1   1.129   1.051   0.361
    4    HA   ASP   1           HA       ASP   1   1.464  -0.250  -2.099
    5   1HB   ASP   1          2HB       ASP   1   2.954   2.050  -0.797
    6   2HB   ASP   1          3HB       ASP   1   3.297   1.464  -2.437
    7    H    GLU   2           H        GLU   2   4.118   0.532   0.061
    8    HA   GLU   2           HA       GLU   2   6.063  -0.419   0.629
    9   1HB   GLU   2          2HB       GLU   2   5.214  -3.190   0.078
   10   2HB   GLU   2          3HB       GLU   2   6.114  -2.515   1.415
   11   1HG   GLU   2          2HG       GLU   2   3.115  -2.618   0.949
   12   2HG   GLU   2          3HG       GLU   2   4.031  -3.279   2.305
   13    H    ALA   3           H        ALA   3   7.771  -0.073  -0.682
   14    HA   ALA   3           HA       ALA   3   8.672  -1.791  -2.755
   15   1HB   ALA   3          1HB       ALA   3   8.196  -0.104  -4.746
   16   2HB   ALA   3          2HB       ALA   3   6.964  -1.267  -4.269
   17   3HB   ALA   3          3HB       ALA   3   6.827   0.414  -3.731
   18    H    GLN   4           H        GLN   4   8.797   1.565  -3.590
   19    HA   GLN   4           HA       GLN   4  11.554   1.941  -3.420
   20   1HB   GLN   4          2HB       GLN   4   9.227   3.904  -3.180
   21   2HB   GLN   4          3HB       GLN   4  10.916   4.422  -3.187
   22   1HG   GLN   4          2HG       GLN   4  11.094   2.984  -5.392
   23   2HG   GLN   4          3HG       GLN   4   9.331   3.170  -5.437
   24   1HE2  GLN   4          1HE2      GLN   4   8.503   5.595  -5.402
   25   2HE2  GLN   4          2HE2      GLN   4   9.727   6.717  -6.050
   26    H    PHE   5           H        PHE   5   9.259   2.147  -0.904
   27    HA   PHE   5           HA       PHE   5  11.136   3.075   1.184
   28   1HB   PHE   5          2HB       PHE   5   8.601   3.552   1.120
   29   2HB   PHE   5          3HB       PHE   5   8.349   1.851   1.499
   30    HD1  PHE   5           HD1      PHE   5   8.795   5.110   2.809
   31    HD2  PHE   5           HD2      PHE   5   9.681   0.961   3.749
   32    HE1  PHE   5           HE1      PHE   5   8.923   5.629   5.212
   33    HE2  PHE   5           HE2      PHE   5   9.954   1.571   6.105
   34    HZ   PHE   5           HZ       PHE   5   9.660   3.912   6.840
   35    H    LYS   6           H        LYS   6   9.547   0.041   0.352
   36    HA   LYS   6           HA       LYS   6  10.687  -1.471   2.566
   37   1HB   LYS   6          2HB       LYS   6   8.756  -2.031   0.621
   38   2HB   LYS   6          3HB       LYS   6  10.144  -2.988   0.075
   39   1HG   LYS   6          2HG       LYS   6  10.293  -3.907   2.468
   40   2HG   LYS   6          3HG       LYS   6   8.777  -3.029   2.793
   41   1HD   LYS   6          2HD       LYS   6   7.704  -4.272   0.903
   42   2HD   LYS   6          3HD       LYS   6   9.180  -5.233   0.711
   43   1HE   LYS   6          2HE       LYS   6   7.908  -5.004   3.450
   44   2HE   LYS   6          3HE       LYS   6   7.085  -5.986   2.233
   45   1HZ   LYS   6          1HZ       LYS   6   9.287  -7.167   1.948
   46   2HZ   LYS   6          2HZ       LYS   6   9.823  -6.400   3.293
   47   3HZ   LYS   6          3HZ       LYS   6   8.557  -7.429   3.401
   48    H    GLU   7           H        GLU   7  11.840  -0.612  -0.582
   49    HA   GLU   7           HA       GLU   7  14.277  -2.201  -0.376
   50   1HB   GLU   7          2HB       GLU   7  13.130  -0.255  -2.356
   51   2HB   GLU   7          3HB       GLU   7  14.891  -0.269  -2.219
   52   1HG   GLU   7          2HG       GLU   7  14.984  -2.668  -2.593
   53   2HG   GLU   7          3HG       GLU   7  13.217  -2.763  -2.681
   54    H    CYS   8           H        CYS   8  13.364   1.107   0.482
   55    HA   CYS   8           HA       CYS   8  16.130   1.878   1.073
   56   1HB   CYS   8          2HB       CYS   8  13.863   3.369   0.702
   57   2HB   CYS   8          3HB       CYS   8  13.802   3.145   2.441
   58    H    TYR   9           H        TYR   9  13.327   0.764   2.966
   59    HA   TYR   9           HA       TYR   9  14.618   0.682   5.488
   60   1HB   TYR   9          2HB       TYR   9  12.134   0.365   4.833
   61   2HB   TYR   9          3HB       TYR   9  12.505  -1.310   4.522
   62    HD1  TYR   9           HD1      TYR   9  13.325  -2.798   6.472
   63    HD2  TYR   9           HD2      TYR   9  11.936   1.278   7.003
   64    HE1  TYR   9           HE1      TYR   9  12.770  -3.281   8.831
   65    HE2  TYR   9           HE2      TYR   9  11.243   0.689   9.308
   66    HH   TYR   9           HH       TYR   9  11.892  -0.579  11.005
   67    H    ASP  10           H        ASP  10  14.212  -2.047   3.207
   68    HA   ASP  10           HA       ASP  10  15.724  -3.931   4.734
   69   1HB   ASP  10          2HB       ASP  10  14.150  -4.206   2.631
   70   2HB   ASP  10          3HB       ASP  10  15.604  -3.966   1.682
   71    H    THR  11           H        THR  11  16.708  -1.963   1.955
   72    HA   THR  11           HA       THR  11  19.485  -2.670   1.989
   73    HB   THR  11           HB       THR  11  18.194  -0.175   0.823
   74    HG1  THR  11           1HG      THR  11  17.602  -1.400  -0.657
   75   1HG2  THR  11          1HG2      THR  11  20.933  -1.386   0.337
   76   2HG2  THR  11          2HG2      THR  11  20.132  -0.247  -0.769
   77   3HG2  THR  11          3HG2      THR  11  20.536   0.270   0.875
   78    H    CYS  12           H        CYS  12  17.771   0.161   3.475
   79    HA   CYS  12           HA       CYS  12  20.133   1.331   4.635
   80   1HB   CYS  12          2HB       CYS  12  17.911   2.488   4.528
   81   2HB   CYS  12          3HB       CYS  12  17.315   1.366   5.751
   82    H    HIS  13           H        HIS  13  17.840  -1.216   5.810
   83    HA   HIS  13           HA       HIS  13  19.063  -1.704   8.305
   84   1HB   HIS  13          2HB       HIS  13  16.915  -2.795   7.169
   85   2HB   HIS  13          3HB       HIS  13  18.063  -4.015   6.699
   86    HD1  HIS  13           HD1      HIS  13  18.855  -5.617   8.645
   87    HD2  HIS  13           HD2      HIS  13  16.543  -2.289   9.785
   88    HE1  HIS  13           HE1      HIS  13  18.230  -5.995  11.120
   89    HE2  HIS  13           HE2      HIS  13  16.736  -3.978  11.806
   90    H    LYS  14           H        LYS  14  20.036  -2.851   5.160
   91    HA   LYS  14           HA       LYS  14  22.177  -4.601   5.979
   92   1HB   LYS  14          2HB       LYS  14  21.243  -4.397   3.608
   93   2HB   LYS  14          3HB       LYS  14  22.194  -2.906   3.477
   94   1HG   LYS  14          2HG       LYS  14  24.228  -4.350   4.202
   95   2HG   LYS  14          3HG       LYS  14  23.194  -5.731   3.823
   96   1HD   LYS  14          2HD       LYS  14  22.907  -3.939   1.602
   97   2HD   LYS  14          3HD       LYS  14  24.600  -3.783   2.111
   98   1HE   LYS  14          2HE       LYS  14  24.531  -6.397   2.210
   99   2HE   LYS  14          3HE       LYS  14  23.063  -6.246   1.223
  100   1HZ   LYS  14          1HZ       LYS  14  25.307  -4.672   0.311
  101   2HZ   LYS  14          2HZ       LYS  14  25.602  -6.287   0.254
  102   3HZ   LYS  14          3HZ       LYS  14  24.326  -5.651  -0.575
  103    H    GLU  15           H        GLU  15  22.647  -1.248   4.746
  104    HA   GLU  15           HA       GLU  15  25.315  -0.932   5.869
  105   1HB   GLU  15          2HB       GLU  15  24.041   0.384   3.957
  106   2HB   GLU  15          3HB       GLU  15  23.441   1.360   5.309
  107   1HG   GLU  15          2HG       GLU  15  25.885   1.713   5.987
  108   2HG   GLU  15          3HG       GLU  15  26.346   0.812   4.537
  109    H    CYS  16           H        CYS  16  22.185  -0.560   7.315
  110    HA   CYS  16           HA       CYS  16  23.080   0.842   9.612
  111   1HB   CYS  16          2HB       CYS  16  20.758   0.720   8.905
  112   2HB   CYS  16          3HB       CYS  16  20.678  -0.969   9.387
  113    H    SER  17           H        SER  17  22.086  -2.577   9.336
  114    HA   SER  17           HA       SER  17  23.154  -3.503  11.870
  115   1HB   SER  17          2HB       SER  17  21.680  -4.633   9.741
  116   2HB   SER  17          3HB       SER  17  23.180  -5.530   9.765
  117    HG   SER  17           HG       SER  17  22.777  -6.140  11.824
  118    H    ASP  18           H        ASP  18  24.735  -2.939   8.755
  119    HA   ASP  18           HA       ASP  18  27.279  -4.196   9.043
  120   1HB   ASP  18          2HB       ASP  18  26.754  -3.140   6.993
  121   2HB   ASP  18          3HB       ASP  18  26.298  -1.649   7.799
  122    H    LYS  19           H        LYS  19  26.081  -1.116  10.575
  123    HA   LYS  19           HA       LYS  19  28.523  -0.499  11.809
  124   1HB   LYS  19          2HB       LYS  19  25.709   0.343  11.943
  125   2HB   LYS  19          3HB       LYS  19  26.382   0.315  13.518
  126   1HG   LYS  19          2HG       LYS  19  28.145   1.546  11.444
  127   2HG   LYS  19          3HG       LYS  19  26.549   2.264  11.480
  128   1HD   LYS  19          2HD       LYS  19  27.692   1.939  14.201
  129   2HD   LYS  19          3HD       LYS  19  28.712   2.890  13.101
  130   1HE   LYS  19          2HE       LYS  19  26.547   4.145  12.446
  131   2HE   LYS  19          3HE       LYS  19  25.803   3.371  13.853
  132   1HZ   LYS  19          1HZ       LYS  19  28.040   4.301  14.925
  133   2HZ   LYS  19          2HZ       LYS  19  27.903   5.403  13.728
  134   3HZ   LYS  19          3HZ       LYS  19  26.692   5.253  14.847
  135    H    GLY  20           H        GLY  20  26.825  -3.253  12.313
  136   1HA   GLY  20          2HA       GLY  20  27.071  -4.998  13.729
  137   2HA   GLY  20          3HA       GLY  20  28.277  -4.105  14.670
  138    H    ASN  21           H        ASN  21  25.170  -2.749  14.098
  139    HA   ASN  21           HA       ASN  21  24.514  -2.716  16.968
  140   1HB   ASN  21          2HB       ASN  21  23.687  -1.178  14.595
  141   2HB   ASN  21          3HB       ASN  21  22.389  -1.512  15.706
  142   1HD2  ASN  21          1HD2      ASN  21  24.207   0.973  15.052
  143   2HD2  ASN  21          2HD2      ASN  21  24.445   1.496  16.755
  144    H    GLY  22           H        GLY  22  22.177  -2.995  17.449
  145   1HA   GLY  22          2HA       GLY  22  21.411  -5.802  16.891
  146   2HA   GLY  22          3HA       GLY  22  20.518  -4.691  17.937
  147    H    PHE  23           H        PHE  23  19.687  -6.502  15.779
  148    HA   PHE  23           HA       PHE  23  18.791  -5.304  13.412
  149   1HB   PHE  23          2HB       PHE  23  18.518  -7.754  14.236
  150   2HB   PHE  23          3HB       PHE  23  17.051  -7.238  15.040
  151    HD1  PHE  23           HD1      PHE  23  15.305  -5.790  13.244
  152    HD2  PHE  23           HD2      PHE  23  18.270  -8.811  12.241
  153    HE1  PHE  23           HE1      PHE  23  14.205  -6.205  11.086
  154    HE2  PHE  23           HE2      PHE  23  17.120  -9.181  10.092
  155    HZ   PHE  23           HZ       PHE  23  15.112  -7.824   9.492
  156    H    THR  24           H        THR  24  16.748  -5.561  16.329
  157    HA   THR  24           HA       THR  24  14.590  -3.963  15.637
  158    HB   THR  24           HB       THR  24  15.897  -4.736  18.212
  159    HG1  THR  24           1HG      THR  24  13.638  -5.370  18.497
  160   1HG2  THR  24          1HG2      THR  24  15.450  -2.623  19.050
  161   2HG2  THR  24          2HG2      THR  24  13.935  -2.418  18.152
  162   3HG2  THR  24          3HG2      THR  24  14.033  -3.537  19.532
  163    H    PHE  25           H        PHE  25  17.456  -2.765  17.423
  164    HA   PHE  25           HA       PHE  25  16.791   0.008  17.377
  165   1HB   PHE  25          2HB       PHE  25  18.603  -0.814  18.744
  166   2HB   PHE  25          3HB       PHE  25  19.454  -1.461  17.342
  167    HD1  PHE  25           HD1      PHE  25  20.808  -0.073  15.895
  168    HD2  PHE  25           HD2      PHE  25  18.347   1.746  18.952
  169    HE1  PHE  25           HE1      PHE  25  22.006   2.046  15.590
  170    HE2  PHE  25           HE2      PHE  25  19.591   3.861  18.683
  171    HZ   PHE  25           HZ       PHE  25  21.469   4.012  17.044
  172    H    CYS  26           H        CYS  26  18.726  -1.912  14.950
  173    HA   CYS  26           HA       CYS  26  18.981   0.235  13.189
  174   1HB   CYS  26          2HB       CYS  26  19.382  -2.721  13.182
  175   2HB   CYS  26          3HB       CYS  26  19.035  -2.068  11.635
  176    H    GLU  27           H        GLU  27  16.285  -1.992  13.631
  177    HA   GLU  27           HA       GLU  27  14.867  -1.307  11.215
  178   1HB   GLU  27          2HB       GLU  27  14.484  -3.006  13.605
  179   2HB   GLU  27          3HB       GLU  27  13.034  -2.102  13.191
  180   1HG   GLU  27          2HG       GLU  27  13.746  -3.003  10.724
  181   2HG   GLU  27          3HG       GLU  27  14.542  -4.187  11.686
  182    H    MET  28           H        MET  28  14.096  -0.491  14.591
  183    HA   MET  28           HA       MET  28  12.255   1.544  14.103
  184   1HB   MET  28          2HB       MET  28  13.371   0.407  16.351
  185   2HB   MET  28          3HB       MET  28  14.171   1.972  16.391
  186   1HG   MET  28          2HG       MET  28  11.245   2.115  15.890
  187   2HG   MET  28          3HG       MET  28  11.684   1.359  17.417
  188   1HE   MET  28          1HE       MET  28  10.531   3.526  19.083
  189   2HE   MET  28          2HE       MET  28  10.323   4.965  18.059
  190   3HE   MET  28          3HE       MET  28   9.854   3.366  17.447
  191    H    LYS  29           H        LYS  29  15.708   1.733  13.911
  192    HA   LYS  29           HA       LYS  29  15.764   4.635  13.555
  193   1HB   LYS  29          2HB       LYS  29  17.621   3.158  14.571
  194   2HB   LYS  29          3HB       LYS  29  18.055   2.740  12.927
  195   1HG   LYS  29          2HG       LYS  29  17.599   5.668  13.448
  196   2HG   LYS  29          3HG       LYS  29  18.892   4.967  14.412
  197   1HD   LYS  29          2HD       LYS  29  20.004   4.140  12.374
  198   2HD   LYS  29          3HD       LYS  29  18.721   4.828  11.356
  199   1HE   LYS  29          2HE       LYS  29  20.471   6.412  13.290
  200   2HE   LYS  29          3HE       LYS  29  20.754   6.265  11.543
  201   1HZ   LYS  29          1HZ       LYS  29  18.432   7.576  12.847
  202   2HZ   LYS  29          2HZ       LYS  29  19.528   8.265  11.823
  203   3HZ   LYS  29          3HZ       LYS  29  18.439   7.176  11.264
  204    H    CYS  30           H        CYS  30  16.540   1.945  11.336
  205    HA   CYS  30           HA       CYS  30  16.625   3.297   8.846
  206   1HB   CYS  30          2HB       CYS  30  15.593   0.528   9.556
  207   2HB   CYS  30          3HB       CYS  30  15.945   1.122   7.912
  208    H    ASP  31           H        ASP  31  13.851   2.242  10.696
  209    HA   ASP  31           HA       ASP  31  11.692   2.705   8.903
  210   1HB   ASP  31          2HB       ASP  31  11.853   1.636  11.364
  211   2HB   ASP  31          3HB       ASP  31  11.522   3.258  11.908
  212    H    THR  32           H        THR  32  12.775   4.782  11.486
  213    HA   THR  32           HA       THR  32  11.414   7.126  10.406
  214    HB   THR  32           HB       THR  32  13.344   6.655  12.669
  215    HG1  THR  32           1HG      THR  32  11.540   6.476  13.572
  216   1HG2  THR  32          1HG2      THR  32  13.257   8.939  13.422
  217   2HG2  THR  32          2HG2      THR  32  14.011   8.919  11.820
  218   3HG2  THR  32          3HG2      THR  32  12.315   9.434  11.991
  219    H    ASP  33           H        ASP  33  14.661   5.805   9.811
  220    HA   ASP  33           HA       ASP  33  16.003   8.094   8.847
  221   1HB   ASP  33          2HB       ASP  33  17.075   5.901   9.353
  222   2HB   ASP  33          3HB       ASP  33  16.256   5.183   7.958
  223    H    CYS  34           H        CYS  34  14.577   5.529   6.885
  224    HA   CYS  34           HA       CYS  34  14.292   7.481   4.656
  225   1HB   CYS  34          2HB       CYS  34  15.428   5.054   4.557
  226   2HB   CYS  34          3HB       CYS  34  13.765   4.567   4.244
  227    H    SER  35           H        SER  35  12.553   8.508   5.803
  228    HA   SER  35           HA       SER  35   9.947   7.467   4.965
  229   1HB   SER  35          2HB       SER  35  10.171   6.255   7.081
  230   2HB   SER  35          3HB       SER  35  10.435   7.793   7.947
  231    HG   SER  35           HG       SER  35   8.338   7.894   7.972
  232    H    VAL  36           H        VAL  36   8.680   9.056   4.427
  233    HA   VAL  36           HA       VAL  36   9.571  11.751   4.851
  234    HB   VAL  36           HB       VAL  36   6.969  11.148   3.526
  235   1HG1  VAL  36          1HG1      VAL  36   7.152  13.371   3.096
  236   2HG1  VAL  36          2HG1      VAL  36   8.826  13.434   3.679
  237   3HG1  VAL  36          3HG1      VAL  36   8.492  13.012   2.007
  238   1HG2  VAL  36          1HG2      VAL  36   8.196   9.512   2.399
  239   2HG2  VAL  36          2HG2      VAL  36   8.273  10.895   1.315
  240   3HG2  VAL  36          3HG2      VAL  36   9.676  10.500   2.339
  241    H    LYS  37           H        LYS  37   7.301  13.156   5.189
  242    HA   LYS  37           HA       LYS  37   6.268  12.350   7.885
  243   1HB   LYS  37          2HB       LYS  37   6.177  14.678   8.512
  244   2HB   LYS  37          3HB       LYS  37   7.824  14.237   8.046
  245   1HG   LYS  37          2HG       LYS  37   7.384  15.293   5.759
  246   2HG   LYS  37          3HG       LYS  37   5.805  15.795   6.381
  247   1HD   LYS  37          2HD       LYS  37   7.386  16.732   8.384
  248   2HD   LYS  37          3HD       LYS  37   8.553  16.800   7.043
  249   1HE   LYS  37          2HE       LYS  37   7.110  18.237   5.760
  250   2HE   LYS  37          3HE       LYS  37   5.722  17.883   6.800
  251   1HZ   LYS  37          1HZ       LYS  37   7.879  18.965   8.301
  252   2HZ   LYS  37          2HZ       LYS  37   7.388  20.019   7.129
  253   3HZ   LYS  37          3HZ       LYS  37   6.310  19.439   8.232
  254    H    ASP  38           H        ASP  38   4.152  13.156   8.381
  255    HA   ASP  38           HA       ASP  38   2.221  12.658   6.330
  256   1HB   ASP  38          2HB       ASP  38   1.976  12.513   8.972
  257   2HB   ASP  38          3HB       ASP  38   1.609  14.230   8.837
  258    H    VAL  39           H        VAL  39   0.515  14.190   5.844
  259    HA   VAL  39           HA       VAL  39   1.437  17.001   5.379
  260    HB   VAL  39           HB       VAL  39   0.353  15.275   3.138
  261   1HG1  VAL  39          1HG1      VAL  39   1.747  17.965   2.808
  262   2HG1  VAL  39          2HG1      VAL  39   0.624  17.125   1.707
  263   3HG1  VAL  39          3HG1      VAL  39   0.019  17.925   3.150
  264   1HG2  VAL  39          1HG2      VAL  39   2.677  15.648   2.121
  265   2HG2  VAL  39          2HG2      VAL  39   3.204  16.094   3.780
  266   3HG2  VAL  39          3HG2      VAL  39   2.566  14.481   3.439
  267    H    LYS  40           H        LYS  40  -0.132  16.910   7.265
  268    HA   LYS  40           HA       LYS  40  -2.421  18.327   6.676
  269   1HB   LYS  40          2HB       LYS  40  -2.957  15.439   6.325
  270   2HB   LYS  40          3HB       LYS  40  -4.035  16.179   7.492
  271   1HG   LYS  40          2HG       LYS  40  -4.287  18.073   5.653
  272   2HG   LYS  40          3HG       LYS  40  -3.838  16.772   4.569
  273   1HD   LYS  40          2HD       LYS  40  -5.854  15.955   4.576
  274   2HD   LYS  40          3HD       LYS  40  -5.823  15.663   6.323
  275   1HE   LYS  40          2HE       LYS  40  -6.741  17.800   6.830
  276   2HE   LYS  40          3HE       LYS  40  -6.249  18.457   5.267
  277   1HZ   LYS  40          1HZ       LYS  40  -7.897  16.517   4.492
  278   2HZ   LYS  40          2HZ       LYS  40  -8.656  16.946   5.879
  279   3HZ   LYS  40          3HZ       LYS  40  -8.388  18.067   4.708
  280    H    GLU  41           H        GLU  41  -1.418  19.327   8.376
  281    HA   GLU  41           HA       GLU  41  -2.079  18.312  11.122
  282   1HB   GLU  41          2HB       GLU  41   0.049  20.105   9.980
  283   2HB   GLU  41          3HB       GLU  41  -0.444  20.321  11.660
  284   1HG   GLU  41          2HG       GLU  41   1.374  18.797  11.679
  285   2HG   GLU  41          3HG       GLU  41  -0.101  17.958  12.147
  286    H    LYS  42           H        LYS  42  -4.104  19.272   9.532
  287    HA   LYS  42           HA       LYS  42  -5.323  21.167  11.364
  288   1HB   LYS  42          2HB       LYS  42  -3.848  22.423   9.527
  289   2HB   LYS  42          3HB       LYS  42  -5.289  22.232   8.532
  290   1HG   LYS  42          2HG       LYS  42  -6.610  23.495  10.182
  291   2HG   LYS  42          3HG       LYS  42  -5.324  23.351  11.381
  292   1HD   LYS  42          2HD       LYS  42  -4.726  25.405  10.790
  293   2HD   LYS  42          3HD       LYS  42  -3.894  24.630   9.453
  294   1HE   LYS  42          2HE       LYS  42  -6.709  25.021   8.795
  295   2HE   LYS  42          3HE       LYS  42  -6.053  26.536   9.424
  296   1HZ   LYS  42          1HZ       LYS  42  -4.760  26.796   7.598
  297   2HZ   LYS  42          2HZ       LYS  42  -4.380  25.202   7.470
  298   3HZ   LYS  42          3HZ       LYS  42  -5.815  25.760   6.878
  299    H    LEU  43           H        LEU  43  -6.153  18.934  11.363
  300    HA   LEU  43           HA       LEU  43  -7.940  17.849   9.542
  301   1HB   LEU  43          2HB       LEU  43  -7.267  17.429  12.284
  302   2HB   LEU  43          3HB       LEU  43  -9.018  17.574  12.256
  303    HG   LEU  43           HG       LEU  43  -7.479  15.760  10.361
  304   1HD1  LEU  43          1HD1      LEU  43  -7.052  15.195  12.771
  305   2HD1  LEU  43          2HD1      LEU  43  -8.800  14.927  12.962
  306   3HD1  LEU  43          3HD1      LEU  43  -7.849  13.920  11.840
  307   1HD2  LEU  43          1HD2      LEU  43 -10.106  14.759  11.012
  308   2HD2  LEU  43          2HD2      LEU  43 -10.305  16.438  10.568
  309   3HD2  LEU  43          3HD2      LEU  43  -9.512  15.304   9.448
  310    H    GLU  44           H        GLU  44 -10.201  17.988   9.220
  311    HA   GLU  44           HA       GLU  44 -11.138  20.754   9.139
  312   1HB   GLU  44          2HB       GLU  44 -12.983  19.888   7.916
  313   2HB   GLU  44          3HB       GLU  44 -11.506  19.132   7.309
  314   1HG   GLU  44          2HG       GLU  44 -12.103  17.184   8.976
  315   2HG   GLU  44          3HG       GLU  44 -13.727  17.891   8.965
  316    H    ASN  45           H        ASN  45 -12.409  21.675  10.622
  317    HA   ASN  45           HA       ASN  45 -14.409  20.385  12.132
  318   1HB   ASN  45          2HB       ASN  45 -11.848  19.967  13.317
  319   2HB   ASN  45          3HB       ASN  45 -12.506  21.343  14.182
  320   1HD2  ASN  45          1HD2      ASN  45 -14.211  20.938  15.738
  321   2HD2  ASN  45          2HD2      ASN  45 -14.812  19.250  15.798
  322    H    TYR  46           H        TYR  46 -15.775  21.961  12.956
  323    HA   TYR  46           HA       TYR  46 -14.875  24.628  13.589
  324   1HB   TYR  46          2HB       TYR  46 -15.066  24.326  10.901
  325   2HB   TYR  46          3HB       TYR  46 -16.754  24.653  11.244
  326    HD1  TYR  46           HD1      TYR  46 -17.397  26.853  12.295
  327    HD2  TYR  46           HD2      TYR  46 -13.338  25.958  11.132
  328    HE1  TYR  46           HE1      TYR  46 -16.852  29.271  12.336
  329    HE2  TYR  46           HE2      TYR  46 -12.806  28.381  11.103
  330    HH   TYR  46           HH       TYR  46 -13.835  30.521  11.034
  331    H    LYS  47           H        LYS  47 -16.501  25.718  14.698
  332    HA   LYS  47           HA       LYS  47 -19.143  24.335  14.926
  333   1HB   LYS  47          2HB       LYS  47 -19.263  24.819  17.255
  334   2HB   LYS  47          3HB       LYS  47 -17.827  23.894  16.914
  335   1HG   LYS  47          2HG       LYS  47 -16.531  25.388  17.905
  336   2HG   LYS  47          3HG       LYS  47 -17.030  26.669  16.806
  337   1HD   LYS  47          2HD       LYS  47 -18.582  27.539  18.256
  338   2HD   LYS  47          3HD       LYS  47 -18.924  25.985  19.043
  339   1HE   LYS  47          2HE       LYS  47 -16.522  26.159  19.957
  340   2HE   LYS  47          3HE       LYS  47 -16.575  27.853  19.428
  341   1HZ   LYS  47          1HZ       LYS  47 -18.574  28.130  20.806
  342   2HZ   LYS  47          2HZ       LYS  47 -18.527  26.557  21.260
  343   3HZ   LYS  47          3HZ       LYS  47 -17.341  27.583  21.756
  344    HA   PRO  48           HA       PRO  48 -20.897  28.240  13.877
  345   1HB   PRO  48          2HB       PRO  48 -23.400  28.080  15.085
  346   2HB   PRO  48          3HB       PRO  48 -22.920  27.269  13.569
  347   1HG   PRO  48          2HG       PRO  48 -23.316  26.079  16.268
  348   2HG   PRO  48          3HG       PRO  48 -23.416  25.321  14.649
  349   1HD   PRO  48          2HD       PRO  48 -21.255  25.258  16.505
  350   2HD   PRO  48          3HD       PRO  48 -21.282  24.585  14.838
  351    H    LYS  49           H        LYS  49 -22.305  30.056  15.152
  352    HA   LYS  49           HA       LYS  49 -21.177  30.553  17.833
  353   1HB   LYS  49          2HB       LYS  49 -20.638  32.821  17.276
  354   2HB   LYS  49          3HB       LYS  49 -19.762  31.743  16.186
  355   1HG   LYS  49          2HG       LYS  49 -21.264  32.198  14.346
  356   2HG   LYS  49          3HG       LYS  49 -22.358  33.129  15.366
  357   1HD   LYS  49          2HD       LYS  49 -19.457  33.990  14.936
  358   2HD   LYS  49          3HD       LYS  49 -20.772  34.403  13.831
  359   1HE   LYS  49          2HE       LYS  49 -20.986  36.227  15.190
  360   2HE   LYS  49          3HE       LYS  49 -22.091  35.103  15.988
  361   1HZ   LYS  49          1HZ       LYS  49 -19.738  34.600  17.212
  362   2HZ   LYS  49          2HZ       LYS  49 -19.665  36.233  16.993
  363   3HZ   LYS  49          3HZ       LYS  49 -20.945  35.553  17.790
  364    H    ASN  50           H        ASN  50 -22.574  31.603  19.142
  365    HA   ASN  50           HA       ASN  50 -25.393  31.463  18.834
  366   1HB   ASN  50          2HB       ASN  50 -25.436  32.899  20.843
  367   2HB   ASN  50          3HB       ASN  50 -24.355  31.499  20.973
  368   1HD2  ASN  50          1HD2      ASN  50 -23.024  32.374  22.755
  369   2HD2  ASN  50          2HD2      ASN  50 -22.170  33.866  22.380
  Start of MODEL   22
    1   1H    ASP   1           H1       ASP   1   1.865  -0.048   0.743
    2   2H    ASP   1           H2       ASP   1   0.703  -0.921  -0.037
    3   3H    ASP   1           H3       ASP   1   0.606   0.734  -0.002
    4    HA   ASP   1           HA       ASP   1   1.884  -0.863  -1.884
    5   1HB   ASP   1          2HB       ASP   1   1.186   2.001  -1.498
    6   2HB   ASP   1          3HB       ASP   1   2.613   1.719  -2.508
    7    H    GLU   2           H        GLU   2   3.271   1.684   0.200
    8    HA   GLU   2           HA       GLU   2   5.629   0.420   1.007
    9   1HB   GLU   2          2HB       GLU   2   5.684   1.199  -1.820
   10   2HB   GLU   2          3HB       GLU   2   6.887   2.095  -0.910
   11   1HG   GLU   2          2HG       GLU   2   8.104   0.276  -0.288
   12   2HG   GLU   2          3HG       GLU   2   6.745  -0.851  -0.302
   13    H    ALA   3           H        ALA   3   4.313   3.478  -0.354
   14    HA   ALA   3           HA       ALA   3   5.823   5.296   1.130
   15   1HB   ALA   3          1HB       ALA   3   4.479   6.792   0.172
   16   2HB   ALA   3          2HB       ALA   3   3.555   5.440  -0.549
   17   3HB   ALA   3          3HB       ALA   3   3.047   6.177   0.998
   18    H    GLN   4           H        GLN   4   2.734   3.889   2.189
   19    HA   GLN   4           HA       GLN   4   2.474   4.917   4.717
   20   1HB   GLN   4          2HB       GLN   4   2.036   2.021   3.874
   21   2HB   GLN   4          3HB       GLN   4   1.421   2.739   5.359
   22   1HG   GLN   4          2HG       GLN   4   0.604   4.480   3.206
   23   2HG   GLN   4          3HG       GLN   4   0.271   2.820   2.694
   24   1HE2  GLN   4          1HE2      GLN   4  -0.296   5.221   5.321
   25   2HE2  GLN   4          2HE2      GLN   4  -1.758   4.378   5.867
   26    H    PHE   5           H        PHE   5   4.906   2.616   3.782
   27    HA   PHE   5           HA       PHE   5   5.916   2.141   6.527
   28   1HB   PHE   5          2HB       PHE   5   5.699   0.322   4.626
   29   2HB   PHE   5          3HB       PHE   5   6.975   1.218   3.795
   30    HD1  PHE   5           HD1      PHE   5   6.176  -1.080   6.436
   31    HD2  PHE   5           HD2      PHE   5   9.266   1.530   4.878
   32    HE1  PHE   5           HE1      PHE   5   7.851  -2.296   7.664
   33    HE2  PHE   5           HE2      PHE   5  10.954   0.273   6.171
   34    HZ   PHE   5           HZ       PHE   5  10.271  -1.613   7.621
   35    H    LYS   6           H        LYS   6   6.853   3.610   3.371
   36    HA   LYS   6           HA       LYS   6   9.442   4.528   4.192
   37   1HB   LYS   6          2HB       LYS   6   7.907   4.646   1.840
   38   2HB   LYS   6          3HB       LYS   6   8.048   6.343   2.316
   39   1HG   LYS   6          2HG       LYS   6  10.394   6.330   2.166
   40   2HG   LYS   6          3HG       LYS   6  10.517   4.562   2.296
   41   1HD   LYS   6          2HD       LYS   6   9.760   4.179   0.108
   42   2HD   LYS   6          3HD       LYS   6   9.086   5.805  -0.060
   43   1HE   LYS   6          2HE       LYS   6  10.952   6.407  -1.091
   44   2HE   LYS   6          3HE       LYS   6  11.733   6.379   0.481
   45   1HZ   LYS   6          1HZ       LYS   6  12.473   4.863  -1.639
   46   2HZ   LYS   6          2HZ       LYS   6  12.878   4.533  -0.084
   47   3HZ   LYS   6          3HZ       LYS   6  11.597   3.788  -0.769
   48    H    GLU   7           H        GLU   7   6.285   5.822   4.771
   49    HA   GLU   7           HA       GLU   7   7.330   8.254   5.974
   50   1HB   GLU   7          2HB       GLU   7   4.600   7.023   5.616
   51   2HB   GLU   7          3HB       GLU   7   4.819   8.078   7.021
   52   1HG   GLU   7          2HG       GLU   7   4.064   9.487   5.280
   53   2HG   GLU   7          3HG       GLU   7   5.769   9.854   5.534
   54    H    CYS   8           H        CYS   8   6.506   5.000   7.103
   55    HA   CYS   8           HA       CYS   8   6.655   5.794   9.958
   56   1HB   CYS   8          2HB       CYS   8   5.556   3.615   8.675
   57   2HB   CYS   8          3HB       CYS   8   7.166   2.999   9.051
   58    H    TYR   9           H        TYR   9   8.782   4.235   7.522
   59    HA   TYR   9           HA       TYR   9  11.032   3.914   9.250
   60   1HB   TYR   9          2HB       TYR   9  10.529   3.059   6.835
   61   2HB   TYR   9          3HB       TYR   9  11.098   4.605   6.264
   62    HD1  TYR   9           HD1      TYR   9  13.522   5.281   6.627
   63    HD2  TYR   9           HD2      TYR   9  11.982   1.371   7.677
   64    HE1  TYR   9           HE1      TYR   9  15.816   4.344   6.527
   65    HE2  TYR   9           HE2      TYR   9  14.291   0.459   7.486
   66    HH   TYR   9           HH       TYR   9  16.683   1.458   7.878
   67    H    ASP  10           H        ASP  10  10.353   6.612   6.960
   68    HA   ASP  10           HA       ASP  10  12.646   8.162   7.658
   69   1HB   ASP  10          2HB       ASP  10  10.836   8.378   5.721
   70   2HB   ASP  10          3HB       ASP  10   9.996   9.440   6.843
   71    H    THR  11           H        THR  11   9.294   8.393   8.764
   72    HA   THR  11           HA       THR  11   9.691  10.467  10.685
   73    HB   THR  11           HB       THR  11   7.488   8.386  10.633
   74    HG1  THR  11           1HG      THR  11   7.283   9.399   8.848
   75   1HG2  THR  11          1HG2      THR  11   7.152   9.382  12.683
   76   2HG2  THR  11          2HG2      THR  11   7.803  10.957  12.152
   77   3HG2  THR  11          3HG2      THR  11   6.198  10.417  11.607
   78    H    CYS  12           H        CYS  12   9.603   6.868  11.073
   79    HA   CYS  12           HA       CYS  12  10.070   6.835  13.902
   80   1HB   CYS  12          2HB       CYS  12   9.371   4.826  12.596
   81   2HB   CYS  12          3HB       CYS  12  10.982   4.799  11.823
   82    H    HIS  13           H        HIS  13  12.320   6.904  11.052
   83    HA   HIS  13           HA       HIS  13  14.729   6.869  12.521
   84   1HB   HIS  13          2HB       HIS  13  14.224   7.003   9.891
   85   2HB   HIS  13          3HB       HIS  13  14.485   8.711  10.181
   86    HD1  HIS  13           HD1      HIS  13  16.869   9.048   9.295
   87    HD2  HIS  13           HD2      HIS  13  16.300   5.465  11.441
   88    HE1  HIS  13           HE1      HIS  13  19.160   7.842   9.397
   89    HE2  HIS  13           HE2      HIS  13  18.845   5.727  10.788
   90    H    LYS  14           H        LYS  14  12.552   9.556  11.940
   91    HA   LYS  14           HA       LYS  14  14.218  11.604  13.062
   92   1HB   LYS  14          2HB       LYS  14  11.830  11.602  11.802
   93   2HB   LYS  14          3HB       LYS  14  11.227  11.771  13.453
   94   1HG   LYS  14          2HG       LYS  14  12.169  13.837  13.771
   95   2HG   LYS  14          3HG       LYS  14  13.516  13.566  12.657
   96   1HD   LYS  14          2HD       LYS  14  12.298  13.953  10.744
   97   2HD   LYS  14          3HD       LYS  14  10.728  13.627  11.489
   98   1HE   LYS  14          2HE       LYS  14  12.459  15.930  12.419
   99   2HE   LYS  14          3HE       LYS  14  11.404  16.106  11.008
  100   1HZ   LYS  14          1HZ       LYS  14  10.412  15.125  13.615
  101   2HZ   LYS  14          2HZ       LYS  14  10.368  16.717  13.222
  102   3HZ   LYS  14          3HZ       LYS  14   9.517  15.614  12.337
  103    H    GLU  15           H        GLU  15  11.472  10.067  14.779
  104    HA   GLU  15           HA       GLU  15  12.337  10.881  17.410
  105   1HB   GLU  15          2HB       GLU  15  10.004  10.084  16.630
  106   2HB   GLU  15          3HB       GLU  15  10.654   8.450  16.749
  107   1HG   GLU  15          2HG       GLU  15  11.336   9.896  19.188
  108   2HG   GLU  15          3HG       GLU  15   9.659  10.230  18.822
  109    H    CYS  16           H        CYS  16  13.355   8.275  15.365
  110    HA   CYS  16           HA       CYS  16  14.617   6.769  17.411
  111   1HB   CYS  16          2HB       CYS  16  14.013   5.876  15.211
  112   2HB   CYS  16          3HB       CYS  16  15.308   6.842  14.456
  113    H    SER  17           H        SER  17  16.120   8.702  14.771
  114    HA   SER  17           HA       SER  17  18.759   8.857  15.925
  115   1HB   SER  17          2HB       SER  17  17.454   9.863  13.616
  116   2HB   SER  17          3HB       SER  17  18.023  11.280  14.484
  117    HG   SER  17           HG       SER  17  19.635  10.565  13.180
  118    H    ASP  18           H        ASP  18  15.811  10.649  16.737
  119    HA   ASP  18           HA       ASP  18  16.823  12.838  18.239
  120   1HB   ASP  18          2HB       ASP  18  14.488  12.742  17.896
  121   2HB   ASP  18          3HB       ASP  18  14.414  11.069  18.415
  122    H    LYS  19           H        LYS  19  16.564   9.314  19.132
  123    HA   LYS  19           HA       LYS  19  17.345   9.735  21.824
  124   1HB   LYS  19          2HB       LYS  19  16.971   7.484  19.936
  125   2HB   LYS  19          3HB       LYS  19  18.341   7.211  20.936
  126   1HG   LYS  19          2HG       LYS  19  15.975   8.232  22.453
  127   2HG   LYS  19          3HG       LYS  19  15.595   6.810  21.475
  128   1HD   LYS  19          2HD       LYS  19  16.285   5.968  23.578
  129   2HD   LYS  19          3HD       LYS  19  17.635   5.674  22.461
  130   1HE   LYS  19          2HE       LYS  19  18.629   7.896  23.267
  131   2HE   LYS  19          3HE       LYS  19  17.371   7.937  24.499
  132   1HZ   LYS  19          1HZ       LYS  19  18.247   5.948  25.442
  133   2HZ   LYS  19          2HZ       LYS  19  19.249   5.685  24.160
  134   3HZ   LYS  19          3HZ       LYS  19  19.545   6.930  25.177
  135    H    GLY  20           H        GLY  20  19.114  10.433  19.117
  136   1HA   GLY  20          2HA       GLY  20  21.239  11.210  18.835
  137   2HA   GLY  20          3HA       GLY  20  21.599  10.917  20.555
  138    H    ASN  21           H        ASN  21  20.341   8.367  18.556
  139    HA   ASN  21           HA       ASN  21  22.746   6.746  19.009
  140   1HB   ASN  21          2HB       ASN  21  19.933   6.255  18.261
  141   2HB   ASN  21          3HB       ASN  21  21.062   5.257  17.377
  142   1HD2  ASN  21          1HD2      ASN  21  19.100   4.789  19.703
  143   2HD2  ASN  21          2HD2      ASN  21  20.182   3.823  20.782
  144    H    GLY  22           H        GLY  22  23.285   5.315  17.049
  145   1HA   GLY  22          2HA       GLY  22  24.428   7.072  14.970
  146   2HA   GLY  22          3HA       GLY  22  24.596   5.305  15.044
  147    H    PHE  23           H        PHE  23  23.447   7.608  13.148
  148    HA   PHE  23           HA       PHE  23  20.955   7.223  12.224
  149   1HB   PHE  23          2HB       PHE  23  23.337   8.254  11.150
  150   2HB   PHE  23          3HB       PHE  23  22.974   6.963  10.026
  151    HD1  PHE  23           HD1      PHE  23  22.021   7.771   8.062
  152    HD2  PHE  23           HD2      PHE  23  20.884   9.485  11.858
  153    HE1  PHE  23           HE1      PHE  23  20.464   9.292   6.909
  154    HE2  PHE  23           HE2      PHE  23  19.285  10.996  10.688
  155    HZ   PHE  23           HZ       PHE  23  19.097  10.922   8.195
  156    H    THR  24           H        THR  24  23.541   5.110  11.064
  157    HA   THR  24           HA       THR  24  22.087   3.174   9.639
  158    HB   THR  24           HB       THR  24  24.743   3.278  10.992
  159    HG1  THR  24           1HG      THR  24  24.658   3.670   8.832
  160   1HG2  THR  24          1HG2      THR  24  23.403   0.600  10.431
  161   2HG2  THR  24          2HG2      THR  24  25.160   0.818  10.380
  162   3HG2  THR  24          3HG2      THR  24  24.302   1.118  11.886
  163    H    PHE  25           H        PHE  25  23.098   2.836  13.085
  164    HA   PHE  25           HA       PHE  25  21.597   0.511  13.660
  165   1HB   PHE  25          2HB       PHE  25  23.219   1.357  15.233
  166   2HB   PHE  25          3HB       PHE  25  22.419   2.915  15.330
  167    HD1  PHE  25           HD1      PHE  25  20.539   3.333  16.766
  168    HD2  PHE  25           HD2      PHE  25  22.027  -0.678  16.234
  169    HE1  PHE  25           HE1      PHE  25  19.196   2.578  18.694
  170    HE2  PHE  25           HE2      PHE  25  20.723  -1.418  18.203
  171    HZ   PHE  25           HZ       PHE  25  19.339   0.241  19.488
  172    H    CYS  26           H        CYS  26  20.582   3.967  13.835
  173    HA   CYS  26           HA       CYS  26  17.985   3.390  14.741
  174   1HB   CYS  26          2HB       CYS  26  19.528   5.703  13.711
  175   2HB   CYS  26          3HB       CYS  26  17.836   5.743  13.225
  176    H    GLU  27           H        GLU  27  19.401   3.346  11.489
  177    HA   GLU  27           HA       GLU  27  16.870   3.135  10.090
  178   1HB   GLU  27          2HB       GLU  27  19.750   3.241   9.452
  179   2HB   GLU  27          3HB       GLU  27  18.957   1.907   8.609
  180   1HG   GLU  27          2HG       GLU  27  17.149   3.875   8.171
  181   2HG   GLU  27          3HG       GLU  27  18.539   4.879   8.414
  182    H    MET  28           H        MET  28  19.448   0.673  10.514
  183    HA   MET  28           HA       MET  28  18.023  -1.595   9.780
  184   1HB   MET  28          2HB       MET  28  20.463  -1.479  10.416
  185   2HB   MET  28          3HB       MET  28  19.979  -1.371  12.111
  186   1HG   MET  28          2HG       MET  28  18.766  -3.623  11.732
  187   2HG   MET  28          3HG       MET  28  19.596  -3.698  10.199
  188   1HE   MET  28          1HE       MET  28  20.490  -5.338  14.003
  189   2HE   MET  28          2HE       MET  28  20.873  -3.657  14.427
  190   3HE   MET  28          3HE       MET  28  19.302  -4.060  13.713
  191    H    LYS  29           H        LYS  29  17.713   0.231  12.748
  192    HA   LYS  29           HA       LYS  29  16.001  -1.780  14.028
  193   1HB   LYS  29          2HB       LYS  29  17.651  -0.070  15.145
  194   2HB   LYS  29          3HB       LYS  29  16.328   1.073  14.988
  195   1HG   LYS  29          2HG       LYS  29  15.452   0.170  16.883
  196   2HG   LYS  29          3HG       LYS  29  15.148  -1.342  16.019
  197   1HD   LYS  29          2HD       LYS  29  17.107  -2.365  16.736
  198   2HD   LYS  29          3HD       LYS  29  17.966  -0.851  17.037
  199   1HE   LYS  29          2HE       LYS  29  17.275  -0.632  19.106
  200   2HE   LYS  29          3HE       LYS  29  15.594  -0.915  18.667
  201   1HZ   LYS  29          1HZ       LYS  29  16.675  -3.368  18.464
  202   2HZ   LYS  29          2HZ       LYS  29  17.481  -2.780  19.765
  203   3HZ   LYS  29          3HZ       LYS  29  15.832  -2.821  19.755
  204    H    CYS  30           H        CYS  30  15.457   1.631  12.989
  205    HA   CYS  30           HA       CYS  30  12.685   1.761  13.107
  206   1HB   CYS  30          2HB       CYS  30  14.663   2.906  11.143
  207   2HB   CYS  30          3HB       CYS  30  12.944   3.308  11.124
  208    H    ASP  31           H        ASP  31  14.684   0.113  10.728
  209    HA   ASP  31           HA       ASP  31  12.765  -0.521   8.752
  210   1HB   ASP  31          2HB       ASP  31  15.439  -0.877   8.982
  211   2HB   ASP  31          3HB       ASP  31  14.981  -2.458   9.556
  212    H    THR  32           H        THR  32  13.957  -2.547  11.371
  213    HA   THR  32           HA       THR  32  11.740  -4.467  11.104
  214    HB   THR  32           HB       THR  32  14.194  -4.231  12.833
  215    HG1  THR  32           1HG      THR  32  14.423  -5.398  11.031
  216   1HG2  THR  32          1HG2      THR  32  11.813  -5.978  13.526
  217   2HG2  THR  32          2HG2      THR  32  13.474  -6.394  13.995
  218   3HG2  THR  32          3HG2      THR  32  12.748  -4.875  14.573
  219    H    ASP  33           H        ASP  33  12.206  -1.492  12.888
  220    HA   ASP  33           HA       ASP  33  10.544  -1.829  15.120
  221   1HB   ASP  33          2HB       ASP  33  11.985   0.146  14.841
  222   2HB   ASP  33          3HB       ASP  33  11.071   0.586  13.380
  223    H    CYS  34           H        CYS  34   9.643  -0.021  12.200
  224    HA   CYS  34           HA       CYS  34   6.813  -0.545  12.643
  225   1HB   CYS  34          2HB       CYS  34   8.027   1.615  11.745
  226   2HB   CYS  34          3HB       CYS  34   7.837   0.811  10.170
  227    H    SER  35           H        SER  35   8.062  -2.801  12.297
  228    HA   SER  35           HA       SER  35   6.668  -4.112  10.185
  229   1HB   SER  35          2HB       SER  35   8.924  -3.044   9.189
  230   2HB   SER  35          3HB       SER  35   9.567  -4.619   9.601
  231    HG   SER  35           HG       SER  35   7.791  -5.587   8.552
  232    H    VAL  36           H        VAL  36   6.660  -4.680  12.896
  233    HA   VAL  36           HA       VAL  36   8.514  -6.524  13.872
  234    HB   VAL  36           HB       VAL  36   6.565  -5.282  15.069
  235   1HG1  VAL  36          1HG1      VAL  36   4.482  -6.236  15.263
  236   2HG1  VAL  36          2HG1      VAL  36   4.881  -6.820  13.643
  237   3HG1  VAL  36          3HG1      VAL  36   5.070  -7.898  15.036
  238   1HG2  VAL  36          1HG2      VAL  36   6.794  -7.908  16.434
  239   2HG2  VAL  36          2HG2      VAL  36   8.342  -7.184  15.947
  240   3HG2  VAL  36          3HG2      VAL  36   7.223  -6.269  16.952
  241    H    LYS  37           H        LYS  37   7.177  -8.734  14.654
  242    HA   LYS  37           HA       LYS  37   5.954 -10.161  12.470
  243   1HB   LYS  37          2HB       LYS  37   7.808 -11.819  12.062
  244   2HB   LYS  37          3HB       LYS  37   8.162 -10.206  11.467
  245   1HG   LYS  37          2HG       LYS  37   9.797  -9.765  13.017
  246   2HG   LYS  37          3HG       LYS  37   9.075 -10.780  14.278
  247   1HD   LYS  37          2HD       LYS  37   9.713 -12.814  13.085
  248   2HD   LYS  37          3HD       LYS  37  10.423 -11.833  11.776
  249   1HE   LYS  37          2HE       LYS  37  11.443 -10.880  14.303
  250   2HE   LYS  37          3HE       LYS  37  11.563 -12.637  14.337
  251   1HZ   LYS  37          1HZ       LYS  37  13.185 -12.577  12.784
  252   2HZ   LYS  37          2HZ       LYS  37  12.403 -11.476  11.846
  253   3HZ   LYS  37          3HZ       LYS  37  13.319 -10.967  13.098
  254    H    ASP  38           H        ASP  38   5.723 -12.547  12.959
  255    HA   ASP  38           HA       ASP  38   6.111 -13.300  15.747
  256   1HB   ASP  38          2HB       ASP  38   3.823 -11.935  15.330
  257   2HB   ASP  38          3HB       ASP  38   3.279 -13.506  14.736
  258    H    VAL  39           H        VAL  39   6.734 -15.358  15.673
  259    HA   VAL  39           HA       VAL  39   5.734 -17.118  13.482
  260    HB   VAL  39           HB       VAL  39   8.086 -16.280  13.206
  261   1HG1  VAL  39          1HG1      VAL  39   8.579 -16.924  15.798
  262   2HG1  VAL  39          2HG1      VAL  39   9.159 -18.393  15.028
  263   3HG1  VAL  39          3HG1      VAL  39   9.856 -16.826  14.562
  264   1HG2  VAL  39          1HG2      VAL  39   8.566 -18.135  11.943
  265   2HG2  VAL  39          2HG2      VAL  39   8.157 -19.291  13.238
  266   3HG2  VAL  39          3HG2      VAL  39   6.879 -18.504  12.311
  267    H    LYS  40           H        LYS  40   4.266 -17.019  15.596
  268    HA   LYS  40           HA       LYS  40   4.781 -18.364  17.923
  269   1HB   LYS  40          2HB       LYS  40   2.292 -18.621  16.186
  270   2HB   LYS  40          3HB       LYS  40   2.371 -19.191  17.852
  271   1HG   LYS  40          2HG       LYS  40   3.128 -16.321  17.245
  272   2HG   LYS  40          3HG       LYS  40   1.440 -16.772  17.231
  273   1HD   LYS  40          2HD       LYS  40   1.709 -16.056  19.383
  274   2HD   LYS  40          3HD       LYS  40   1.904 -17.805  19.601
  275   1HE   LYS  40          2HE       LYS  40   4.293 -17.595  19.811
  276   2HE   LYS  40          3HE       LYS  40   4.274 -15.963  19.115
  277   1HZ   LYS  40          1HZ       LYS  40   4.074 -15.165  21.125
  278   2HZ   LYS  40          2HZ       LYS  40   2.633 -15.900  21.324
  279   3HZ   LYS  40          3HZ       LYS  40   4.010 -16.658  21.824
  280    H    GLU  41           H        GLU  41   5.805 -20.137  18.371
  281    HA   GLU  41           HA       GLU  41   6.440 -22.064  16.469
  282   1HB   GLU  41          2HB       GLU  41   6.813 -21.737  19.386
  283   2HB   GLU  41          3HB       GLU  41   6.679 -23.431  18.909
  284   1HG   GLU  41          2HG       GLU  41   8.542 -21.448  17.553
  285   2HG   GLU  41          3HG       GLU  41   9.019 -22.453  18.912
  286    H    LYS  42           H        LYS  42   5.324 -23.570  15.576
  287    HA   LYS  42           HA       LYS  42   2.590 -23.946  15.830
  288   1HB   LYS  42          2HB       LYS  42   2.825 -25.501  14.219
  289   2HB   LYS  42          3HB       LYS  42   4.459 -24.878  14.108
  290   1HG   LYS  42          2HG       LYS  42   5.204 -26.747  15.685
  291   2HG   LYS  42          3HG       LYS  42   3.535 -27.372  15.634
  292   1HD   LYS  42          2HD       LYS  42   4.637 -28.681  14.097
  293   2HD   LYS  42          3HD       LYS  42   3.839 -27.452  13.088
  294   1HE   LYS  42          2HE       LYS  42   6.243 -26.204  13.696
  295   2HE   LYS  42          3HE       LYS  42   6.739 -27.887  13.781
  296   1HZ   LYS  42          1HZ       LYS  42   6.929 -27.652  11.555
  297   2HZ   LYS  42          2HZ       LYS  42   5.289 -27.826  11.524
  298   3HZ   LYS  42          3HZ       LYS  42   5.960 -26.321  11.495
  299    H    LEU  43           H        LEU  43   1.379 -24.705  17.402
  300    HA   LEU  43           HA       LEU  43   2.263 -25.528  19.864
  301   1HB   LEU  43          2HB       LEU  43  -0.236 -26.487  18.446
  302   2HB   LEU  43          3HB       LEU  43  -0.005 -26.587  20.184
  303    HG   LEU  43           HG       LEU  43   0.232 -23.864  18.861
  304   1HD1  LEU  43          1HD1      LEU  43  -1.977 -25.287  18.202
  305   2HD1  LEU  43          2HD1      LEU  43  -2.513 -24.557  19.721
  306   3HD1  LEU  43          3HD1      LEU  43  -1.908 -23.539  18.391
  307   1HD2  LEU  43          1HD2      LEU  43  -1.091 -23.368  21.118
  308   2HD2  LEU  43          2HD2      LEU  43  -0.400 -24.929  21.606
  309   3HD2  LEU  43          3HD2      LEU  43   0.666 -23.606  21.100
  310    H    GLU  44           H        GLU  44   3.241 -27.286  20.683
  311    HA   GLU  44           HA       GLU  44   3.178 -29.857  19.213
  312   1HB   GLU  44          2HB       GLU  44   5.526 -30.110  19.654
  313   2HB   GLU  44          3HB       GLU  44   5.247 -28.627  18.743
  314   1HG   GLU  44          2HG       GLU  44   5.192 -27.648  21.337
  315   2HG   GLU  44          3HG       GLU  44   6.249 -29.041  21.539
  316    H    ASN  45           H        ASN  45   3.093 -31.608  20.470
  317    HA   ASN  45           HA       ASN  45   3.632 -31.872  23.199
  318   1HB   ASN  45          2HB       ASN  45   1.146 -30.370  22.826
  319   2HB   ASN  45          3HB       ASN  45   0.729 -31.965  23.421
  320   1HD2  ASN  45          1HD2      ASN  45   0.542 -32.052  25.615
  321   2HD2  ASN  45          2HD2      ASN  45   1.619 -31.022  26.622
  322    H    TYR  46           H        TYR  46   1.116 -32.609  20.880
  323    HA   TYR  46           HA       TYR  46   0.257 -35.128  21.389
  324   1HB   TYR  46          2HB       TYR  46  -0.350 -35.329  19.157
  325   2HB   TYR  46          3HB       TYR  46  -0.288 -33.586  19.385
  326    HD1  TYR  46           HD1      TYR  46   0.900 -36.396  17.465
  327    HD2  TYR  46           HD2      TYR  46   2.045 -32.429  18.726
  328    HE1  TYR  46           HE1      TYR  46   2.606 -36.313  15.677
  329    HE2  TYR  46           HE2      TYR  46   3.773 -32.369  16.946
  330    HH   TYR  46           HH       TYR  46   4.205 -35.079  14.663
  331    H    LYS  47           H        LYS  47   1.082 -37.091  21.601
  332    HA   LYS  47           HA       LYS  47   3.213 -38.120  20.040
  333   1HB   LYS  47          2HB       LYS  47   4.315 -36.431  21.916
  334   2HB   LYS  47          3HB       LYS  47   4.335 -37.918  22.832
  335   1HG   LYS  47          2HG       LYS  47   5.411 -37.531  19.984
  336   2HG   LYS  47          3HG       LYS  47   6.379 -37.511  21.456
  337   1HD   LYS  47          2HD       LYS  47   4.872 -39.946  21.573
  338   2HD   LYS  47          3HD       LYS  47   5.408 -39.825  19.905
  339   1HE   LYS  47          2HE       LYS  47   7.254 -39.322  22.265
  340   2HE   LYS  47          3HE       LYS  47   6.852 -40.971  21.778
  341   1HZ   LYS  47          1HZ       LYS  47   7.537 -39.587  19.477
  342   2HZ   LYS  47          2HZ       LYS  47   8.710 -39.237  20.571
  343   3HZ   LYS  47          3HZ       LYS  47   8.370 -40.804  20.187
  344    HA   PRO  48           HA       PRO  48   0.499 -41.090  22.257
  345   1HB   PRO  48          2HB       PRO  48  -0.281 -42.512  19.999
  346   2HB   PRO  48          3HB       PRO  48  -1.163 -41.145  20.727
  347   1HG   PRO  48          2HG       PRO  48   0.421 -41.189  18.218
  348   2HG   PRO  48          3HG       PRO  48  -0.855 -40.053  18.747
  349   1HD   PRO  48          2HD       PRO  48   1.995 -39.680  18.819
  350   2HD   PRO  48          3HD       PRO  48   0.722 -38.563  19.423
  351    H    LYS  49           H        LYS  49   1.110 -43.125  22.833
  352    HA   LYS  49           HA       LYS  49   3.806 -44.037  22.204
  353   1HB   LYS  49          2HB       LYS  49   3.418 -45.757  23.800
  354   2HB   LYS  49          3HB       LYS  49   2.736 -44.282  24.463
  355   1HG   LYS  49          2HG       LYS  49   0.643 -45.138  24.579
  356   2HG   LYS  49          3HG       LYS  49   0.697 -45.796  22.940
  357   1HD   LYS  49          2HD       LYS  49   1.898 -47.727  23.640
  358   2HD   LYS  49          3HD       LYS  49   2.139 -47.131  25.268
  359   1HE   LYS  49          2HE       LYS  49   0.075 -47.696  25.951
  360   2HE   LYS  49          3HE       LYS  49  -0.704 -47.150  24.463
  361   1HZ   LYS  49          1HZ       LYS  49  -0.304 -49.162  23.410
  362   2HZ   LYS  49          2HZ       LYS  49   0.901 -49.600  24.367
  363   3HZ   LYS  49          3HZ       LYS  49  -0.649 -49.679  24.949
  364    H    ASN  50           H        ASN  50   3.882 -46.604  21.838
  365    HA   ASN  50           HA       ASN  50   2.705 -47.131  19.195
  366   1HB   ASN  50          2HB       ASN  50   4.772 -48.603  20.899
  367   2HB   ASN  50          3HB       ASN  50   4.226 -49.135  19.308
  368   1HD2  ASN  50          1HD2      ASN  50   4.606 -47.687  17.478
  369   2HD2  ASN  50          2HD2      ASN  50   6.052 -46.650  17.550
  Start of MODEL   23
    1   1H    ASP   1           H1       ASP   1   1.963  -0.295   0.752
    2   2H    ASP   1           H2       ASP   1   0.563  -0.645  -0.078
    3   3H    ASP   1           H3       ASP   1   0.976   0.932   0.178
    4    HA   ASP   1           HA       ASP   1   1.601  -0.699  -1.931
    5   1HB   ASP   1          2HB       ASP   1   2.784   2.036  -1.339
    6   2HB   ASP   1          3HB       ASP   1   2.444   1.319  -2.923
    7    H    GLU   2           H        GLU   2   4.113   0.286  -2.787
    8    HA   GLU   2           HA       GLU   2   6.189   0.033  -0.874
    9   1HB   GLU   2          2HB       GLU   2   6.948  -2.263  -2.067
   10   2HB   GLU   2          3HB       GLU   2   6.018  -2.235  -0.578
   11   1HG   GLU   2          2HG       GLU   2   4.045  -2.942  -1.594
   12   2HG   GLU   2          3HG       GLU   2   4.435  -2.220  -3.153
   13    H    ALA   3           H        ALA   3   7.790   1.108  -1.804
   14    HA   ALA   3           HA       ALA   3   9.084   0.656  -4.164
   15   1HB   ALA   3          1HB       ALA   3   6.581   2.321  -4.596
   16   2HB   ALA   3          2HB       ALA   3   8.034   2.658  -5.589
   17   3HB   ALA   3          3HB       ALA   3   7.308   1.069  -5.642
   18    H    GLN   4           H        GLN   4   7.976   3.945  -4.057
   19    HA   GLN   4           HA       GLN   4  10.391   5.129  -3.598
   20   1HB   GLN   4          2HB       GLN   4   8.899   6.998  -2.465
   21   2HB   GLN   4          3HB       GLN   4   8.737   6.657  -4.186
   22   1HG   GLN   4          2HG       GLN   4   6.674   5.599  -3.943
   23   2HG   GLN   4          3HG       GLN   4   6.989   5.097  -2.281
   24   1HE2  GLN   4          1HE2      GLN   4   5.521   5.927  -1.022
   25   2HE2  GLN   4          2HE2      GLN   4   5.042   7.625  -1.016
   26    H    PHE   5           H        PHE   5   8.365   3.563  -1.236
   27    HA   PHE   5           HA       PHE   5   9.840   4.622   1.085
   28   1HB   PHE   5          2HB       PHE   5   7.297   4.122   0.952
   29   2HB   PHE   5          3HB       PHE   5   7.703   2.420   0.814
   30    HD1  PHE   5           HD1      PHE   5   7.569   5.324   3.048
   31    HD2  PHE   5           HD2      PHE   5   8.699   1.176   2.728
   32    HE1  PHE   5           HE1      PHE   5   7.637   5.122   5.532
   33    HE2  PHE   5           HE2      PHE   5   8.800   1.025   5.231
   34    HZ   PHE   5           HZ       PHE   5   8.299   3.008   6.606
   35    H    LYS   6           H        LYS   6   9.401   1.554  -0.776
   36    HA   LYS   6           HA       LYS   6  10.980  -0.086   0.951
   37   1HB   LYS   6          2HB       LYS   6   9.307  -0.823  -0.888
   38   2HB   LYS   6          3HB       LYS   6  10.576  -0.461  -2.051
   39   1HG   LYS   6          2HG       LYS   6  11.058  -2.686  -1.675
   40   2HG   LYS   6          3HG       LYS   6  12.065  -2.006  -0.419
   41   1HD   LYS   6          2HD       LYS   6  10.835  -2.854   1.264
   42   2HD   LYS   6          3HD       LYS   6   9.288  -2.444   0.526
   43   1HE   LYS   6          2HE       LYS   6   9.089  -4.428  -0.636
   44   2HE   LYS   6          3HE       LYS   6  10.837  -4.625  -0.811
   45   1HZ   LYS   6          1HZ       LYS   6  10.615  -4.835   1.807
   46   2HZ   LYS   6          2HZ       LYS   6   9.133  -5.429   1.391
   47   3HZ   LYS   6          3HZ       LYS   6  10.508  -6.130   0.805
   48    H    GLU   7           H        GLU   7  11.748   2.294  -1.492
   49    HA   GLU   7           HA       GLU   7  14.481   1.412  -1.682
   50   1HB   GLU   7          2HB       GLU   7  12.933   2.810  -3.414
   51   2HB   GLU   7          3HB       GLU   7  13.616   4.176  -2.534
   52   1HG   GLU   7          2HG       GLU   7  15.173   3.871  -4.255
   53   2HG   GLU   7          3HG       GLU   7  15.935   2.981  -2.940
   54    H    CYS   8           H        CYS   8  12.594   3.691   0.249
   55    HA   CYS   8           HA       CYS   8  14.951   5.112   1.222
   56   1HB   CYS   8          2HB       CYS   8  12.284   5.712   1.149
   57   2HB   CYS   8          3HB       CYS   8  12.400   5.051   2.771
   58    H    TYR   9           H        TYR   9  12.758   2.505   2.369
   59    HA   TYR   9           HA       TYR   9  14.004   2.129   4.889
   60   1HB   TYR   9          2HB       TYR   9  11.774   1.225   3.822
   61   2HB   TYR   9          3HB       TYR   9  12.760  -0.010   3.083
   62    HD1  TYR   9           HD1      TYR   9  14.093  -1.610   4.578
   63    HD2  TYR   9           HD2      TYR   9  11.053   1.062   6.084
   64    HE1  TYR   9           HE1      TYR   9  13.866  -2.996   6.617
   65    HE2  TYR   9           HE2      TYR   9  10.871  -0.374   8.111
   66    HH   TYR   9           HH       TYR   9  11.854  -1.905   9.358
   67    H    ASP  10           H        ASP  10  14.501   0.405   1.747
   68    HA   ASP  10           HA       ASP  10  16.532  -1.309   2.707
   69   1HB   ASP  10          2HB       ASP  10  15.174  -1.198   0.410
   70   2HB   ASP  10          3HB       ASP  10  16.541  -0.241  -0.143
   71    H    THR  11           H        THR  11  16.721   1.783   0.856
   72    HA   THR  11           HA       THR  11  19.520   1.985   0.894
   73    HB   THR  11           HB       THR  11  17.424   4.171   0.672
   74    HG1  THR  11           1HG      THR  11  17.503   3.536  -1.452
   75   1HG2  THR  11          1HG2      THR  11  19.256   5.515   0.623
   76   2HG2  THR  11          2HG2      THR  11  20.362   4.139   0.322
   77   3HG2  THR  11          3HG2      THR  11  19.440   4.860  -1.015
   78    H    CYS  12           H        CYS  12  17.052   3.371   3.100
   79    HA   CYS  12           HA       CYS  12  18.789   4.820   4.751
   80   1HB   CYS  12          2HB       CYS  12  16.380   5.075   4.827
   81   2HB   CYS  12          3HB       CYS  12  16.172   3.450   5.488
   82    H    HIS  13           H        HIS  13  17.690   1.378   4.872
   83    HA   HIS  13           HA       HIS  13  18.991   0.595   7.197
   84   1HB   HIS  13          2HB       HIS  13  17.472  -0.722   5.444
   85   2HB   HIS  13          3HB       HIS  13  19.028  -1.229   4.851
   86    HD1  HIS  13           HD1      HIS  13  19.274  -3.582   5.729
   87    HD2  HIS  13           HD2      HIS  13  17.684  -0.888   8.559
   88    HE1  HIS  13           HE1      HIS  13  18.987  -4.866   7.926
   89    HE2  HIS  13           HE2      HIS  13  18.105  -3.247   9.675
   90    H    LYS  14           H        LYS  14  20.298   0.932   3.899
   91    HA   LYS  14           HA       LYS  14  22.856  -0.147   4.400
   92   1HB   LYS  14          2HB       LYS  14  21.666   0.833   2.203
   93   2HB   LYS  14          3HB       LYS  14  22.550   2.295   2.636
   94   1HG   LYS  14          2HG       LYS  14  24.605   0.619   2.909
   95   2HG   LYS  14          3HG       LYS  14  23.604  -0.429   1.887
   96   1HD   LYS  14          2HD       LYS  14  23.394   1.622   0.302
   97   2HD   LYS  14          3HD       LYS  14  24.674   2.357   1.287
   98   1HE   LYS  14          2HE       LYS  14  25.984   0.136   0.849
   99   2HE   LYS  14          3HE       LYS  14  24.796  -0.158  -0.431
  100   1HZ   LYS  14          1HZ       LYS  14  25.485   1.787  -1.546
  101   2HZ   LYS  14          2HZ       LYS  14  26.311   2.369  -0.246
  102   3HZ   LYS  14          3HZ       LYS  14  26.900   1.075  -1.077
  103    H    GLU  15           H        GLU  15  22.136   3.395   4.339
  104    HA   GLU  15           HA       GLU  15  24.530   4.094   5.709
  105   1HB   GLU  15          2HB       GLU  15  23.041   5.637   4.339
  106   2HB   GLU  15          3HB       GLU  15  21.889   5.621   5.675
  107   1HG   GLU  15          2HG       GLU  15  24.542   6.202   6.738
  108   2HG   GLU  15          3HG       GLU  15  24.285   7.217   5.348
  109    H    CYS  16           H        CYS  16  21.607   2.677   6.863
  110    HA   CYS  16           HA       CYS  16  21.814   3.631   9.530
  111   1HB   CYS  16          2HB       CYS  16  19.700   2.840   8.469
  112   2HB   CYS  16          3HB       CYS  16  20.310   1.187   8.566
  113    H    SER  17           H        SER  17  22.079   0.268   8.249
  114    HA   SER  17           HA       SER  17  23.348  -0.911  10.374
  115   1HB   SER  17          2HB       SER  17  22.706  -1.663   7.742
  116   2HB   SER  17          3HB       SER  17  24.459  -1.799   7.783
  117    HG   SER  17           HG       SER  17  24.261  -3.496   9.013
  118    H    ASP  18           H        ASP  18  24.680   1.343   7.967
  119    HA   ASP  18           HA       ASP  18  27.412   0.871   8.192
  120   1HB   ASP  18          2HB       ASP  18  26.783   2.505   6.616
  121   2HB   ASP  18          3HB       ASP  18  25.715   3.286   7.749
  122    H    LYS  19           H        LYS  19  25.154   2.492  10.446
  123    HA   LYS  19           HA       LYS  19  27.112   3.576  12.113
  124   1HB   LYS  19          2HB       LYS  19  24.172   3.273  12.116
  125   2HB   LYS  19          3HB       LYS  19  24.798   2.961  13.671
  126   1HG   LYS  19          2HG       LYS  19  26.089   5.328  12.435
  127   2HG   LYS  19          3HG       LYS  19  24.346   5.449  12.360
  128   1HD   LYS  19          2HD       LYS  19  24.995   6.446  14.432
  129   2HD   LYS  19          3HD       LYS  19  24.293   4.887  14.861
  130   1HE   LYS  19          2HE       LYS  19  27.238   4.857  14.298
  131   2HE   LYS  19          3HE       LYS  19  26.768   5.815  15.707
  132   1HZ   LYS  19          1HZ       LYS  19  25.386   3.371  15.724
  133   2HZ   LYS  19          2HZ       LYS  19  26.957   3.040  15.501
  134   3HZ   LYS  19          3HZ       LYS  19  26.481   3.919  16.833
  135    H    GLY  20           H        GLY  20  26.402   0.400  11.487
  136   1HA   GLY  20          2HA       GLY  20  27.372  -1.527  12.257
  137   2HA   GLY  20          3HA       GLY  20  28.192  -0.573  13.518
  138    H    ASN  21           H        ASN  21  24.738  -0.209  13.126
  139    HA   ASN  21           HA       ASN  21  24.311  -1.233  15.806
  140   1HB   ASN  21          2HB       ASN  21  22.875   0.472  13.894
  141   2HB   ASN  21          3HB       ASN  21  21.820  -0.649  14.695
  142   1HD2  ASN  21          1HD2      ASN  21  22.292   2.294  14.894
  143   2HD2  ASN  21          2HD2      ASN  21  22.433   2.562  16.644
  144    H    GLY  22           H        GLY  22  21.995  -2.442  15.886
  145   1HA   GLY  22          2HA       GLY  22  22.486  -5.020  14.579
  146   2HA   GLY  22          3HA       GLY  22  21.194  -4.640  15.753
  147    H    PHE  23           H        PHE  23  21.587  -5.677  12.729
  148    HA   PHE  23           HA       PHE  23  20.279  -4.261  10.876
  149   1HB   PHE  23          2HB       PHE  23  20.842  -6.986  11.386
  150   2HB   PHE  23          3HB       PHE  23  19.111  -6.990  11.203
  151    HD1  PHE  23           HD1      PHE  23  21.912  -5.181   9.466
  152    HD2  PHE  23           HD2      PHE  23  18.403  -7.671   9.134
  153    HE1  PHE  23           HE1      PHE  23  22.158  -5.203   6.986
  154    HE2  PHE  23           HE2      PHE  23  18.661  -7.697   6.663
  155    HZ   PHE  23           HZ       PHE  23  20.532  -6.473   5.585
  156    H    THR  24           H        THR  24  18.417  -6.409  13.069
  157    HA   THR  24           HA       THR  24  15.890  -5.643  12.456
  158    HB   THR  24           HB       THR  24  17.266  -6.754  14.839
  159    HG1  THR  24           1HG      THR  24  14.776  -7.131  13.537
  160   1HG2  THR  24          1HG2      THR  24  15.126  -6.666  16.204
  161   2HG2  THR  24          2HG2      THR  24  16.006  -5.151  16.162
  162   3HG2  THR  24          3HG2      THR  24  14.575  -5.363  15.118
  163    H    PHE  25           H        PHE  25  17.747  -4.099  15.137
  164    HA   PHE  25           HA       PHE  25  15.982  -2.035  15.669
  165   1HB   PHE  25          2HB       PHE  25  17.950  -2.490  17.045
  166   2HB   PHE  25          3HB       PHE  25  19.023  -2.232  15.692
  167    HD1  PHE  25           HD1      PHE  25  19.888  -0.116  15.120
  168    HD2  PHE  25           HD2      PHE  25  16.670  -0.456  17.930
  169    HE1  PHE  25           HE1      PHE  25  20.153   2.301  15.733
  170    HE2  PHE  25           HE2      PHE  25  16.961   1.948  18.553
  171    HZ   PHE  25           HZ       PHE  25  18.728   3.306  17.460
  172    H    CYS  26           H        CYS  26  18.604  -2.137  13.202
  173    HA   CYS  26           HA       CYS  26  18.263   0.508  12.339
  174   1HB   CYS  26          2HB       CYS  26  19.766  -1.885  11.523
  175   2HB   CYS  26          3HB       CYS  26  19.141  -1.001  10.151
  176    H    GLU  27           H        GLU  27  16.577  -2.521  11.612
  177    HA   GLU  27           HA       GLU  27  15.182  -1.554   9.311
  178   1HB   GLU  27          2HB       GLU  27  15.375  -4.018  10.882
  179   2HB   GLU  27          3HB       GLU  27  13.684  -3.641  10.617
  180   1HG   GLU  27          2HG       GLU  27  13.826  -4.134   8.410
  181   2HG   GLU  27          3HG       GLU  27  15.362  -3.271   8.208
  182    H    MET  28           H        MET  28  13.949  -2.335  12.609
  183    HA   MET  28           HA       MET  28  11.469  -1.105  12.343
  184   1HB   MET  28          2HB       MET  28  13.305  -1.863  14.561
  185   2HB   MET  28          3HB       MET  28  12.229  -0.543  14.995
  186   1HG   MET  28          2HG       MET  28  10.289  -1.815  14.698
  187   2HG   MET  28          3HG       MET  28  11.085  -2.964  13.617
  188   1HE   MET  28          1HE       MET  28  10.750  -5.689  16.073
  189   2HE   MET  28          2HE       MET  28   9.430  -4.519  15.814
  190   3HE   MET  28          3HE       MET  28  10.471  -5.008  14.453
  191    H    LYS  29           H        LYS  29  14.629   0.382  13.058
  192    HA   LYS  29           HA       LYS  29  13.515   2.963  13.638
  193   1HB   LYS  29          2HB       LYS  29  15.842   1.983  14.290
  194   2HB   LYS  29          3HB       LYS  29  16.357   2.492  12.684
  195   1HG   LYS  29          2HG       LYS  29  14.897   4.357  14.617
  196   2HG   LYS  29          3HG       LYS  29  16.633   4.068  14.767
  197   1HD   LYS  29          2HD       LYS  29  16.824   4.715  12.271
  198   2HD   LYS  29          3HD       LYS  29  15.150   5.276  12.401
  199   1HE   LYS  29          2HE       LYS  29  15.830   6.744  14.313
  200   2HE   LYS  29          3HE       LYS  29  17.514   6.266  14.038
  201   1HZ   LYS  29          1HZ       LYS  29  17.533   7.356  11.972
  202   2HZ   LYS  29          2HZ       LYS  29  15.937   7.337  11.785
  203   3HZ   LYS  29          3HZ       LYS  29  16.606   8.383  12.867
  204    H    CYS  30           H        CYS  30  15.433   1.820  10.799
  205    HA   CYS  30           HA       CYS  30  15.067   3.978   9.143
  206   1HB   CYS  30          2HB       CYS  30  15.239   1.017   8.662
  207   2HB   CYS  30          3HB       CYS  30  14.978   2.080   7.306
  208    H    ASP  31           H        ASP  31  12.718   1.532  10.158
  209    HA   ASP  31           HA       ASP  31  10.761   1.906   8.208
  210   1HB   ASP  31          2HB       ASP  31  11.000   0.223  10.327
  211   2HB   ASP  31          3HB       ASP  31  10.006   1.423  11.106
  212    H    THR  32           H        THR  32  10.971   3.259  11.519
  213    HA   THR  32           HA       THR  32   8.906   5.228  10.970
  214    HB   THR  32           HB       THR  32  10.629   4.423  13.301
  215    HG1  THR  32           1HG      THR  32   7.930   5.117  12.810
  216   1HG2  THR  32          1HG2      THR  32   9.247   7.114  13.039
  217   2HG2  THR  32          2HG2      THR  32   9.567   6.347  14.606
  218   3HG2  THR  32          3HG2      THR  32  10.928   6.799  13.546
  219    H    ASP  33           H        ASP  33  12.315   5.074  10.477
  220    HA   ASP  33           HA       ASP  33  13.073   7.740  10.697
  221   1HB   ASP  33          2HB       ASP  33  14.705   5.963  10.275
  222   2HB   ASP  33          3HB       ASP  33  13.950   5.616   8.731
  223    H    CYS  34           H        CYS  34  12.467   6.082   7.581
  224    HA   CYS  34           HA       CYS  34  11.797   8.608   6.351
  225   1HB   CYS  34          2HB       CYS  34  12.997   6.430   5.366
  226   2HB   CYS  34          3HB       CYS  34  11.351   5.988   4.940
  227    H    SER  35           H        SER  35   9.967   9.165   7.569
  228    HA   SER  35           HA       SER  35   7.526   8.407   6.399
  229   1HB   SER  35          2HB       SER  35   8.205   6.438   8.165
  230   2HB   SER  35          3HB       SER  35   7.445   7.521   9.314
  231    HG   SER  35           HG       SER  35   5.832   7.474   7.236
  232    H    VAL  36           H        VAL  36   5.878   9.912   7.127
  233    HA   VAL  36           HA       VAL  36   6.690  12.306   8.318
  234    HB   VAL  36           HB       VAL  36   4.679  11.692   6.760
  235   1HG1  VAL  36          1HG1      VAL  36   3.078  11.758   9.321
  236   2HG1  VAL  36          2HG1      VAL  36   2.593  11.240   7.715
  237   3HG1  VAL  36          3HG1      VAL  36   3.691  10.222   8.684
  238   1HG2  VAL  36          1HG2      VAL  36   4.478  13.900   6.864
  239   2HG2  VAL  36          2HG2      VAL  36   3.525  13.760   8.352
  240   3HG2  VAL  36          3HG2      VAL  36   5.280  13.952   8.437
  241    H    LYS  37           H        LYS  37   4.617  12.901  10.095
  242    HA   LYS  37           HA       LYS  37   4.329  11.130  12.224
  243   1HB   LYS  37          2HB       LYS  37   7.004  12.161  12.110
  244   2HB   LYS  37          3HB       LYS  37   6.254  13.017  13.429
  245   1HG   LYS  37          2HG       LYS  37   5.529  10.851  14.429
  246   2HG   LYS  37          3HG       LYS  37   6.177   9.964  13.057
  247   1HD   LYS  37          2HD       LYS  37   8.146   9.824  14.113
  248   2HD   LYS  37          3HD       LYS  37   8.358  11.545  13.853
  249   1HE   LYS  37          2HE       LYS  37   6.571  10.872  16.149
  250   2HE   LYS  37          3HE       LYS  37   8.218  10.269  16.326
  251   1HZ   LYS  37          1HZ       LYS  37   7.278  12.949  16.465
  252   2HZ   LYS  37          2HZ       LYS  37   8.743  12.332  16.932
  253   3HZ   LYS  37          3HZ       LYS  37   8.497  12.818  15.376
  254    H    ASP  38           H        ASP  38   4.351  12.850  14.418
  255    HA   ASP  38           HA       ASP  38   1.922  14.278  13.931
  256   1HB   ASP  38          2HB       ASP  38   3.006  13.252  16.177
  257   2HB   ASP  38          3HB       ASP  38   3.755  14.850  16.286
  258    H    VAL  39           H        VAL  39   1.845  16.673  14.824
  259    HA   VAL  39           HA       VAL  39   4.209  18.292  14.172
  260    HB   VAL  39           HB       VAL  39   1.698  18.289  12.446
  261   1HG1  VAL  39          1HG1      VAL  39   3.704  20.228  11.589
  262   2HG1  VAL  39          2HG1      VAL  39   1.978  20.455  11.997
  263   3HG1  VAL  39          3HG1      VAL  39   3.214  20.593  13.238
  264   1HG2  VAL  39          1HG2      VAL  39   3.444  18.133  10.590
  265   2HG2  VAL  39          2HG2      VAL  39   4.648  17.833  11.872
  266   3HG2  VAL  39          3HG2      VAL  39   3.282  16.721  11.601
  267    H    LYS  40           H        LYS  40   3.965  18.788  16.371
  268    HA   LYS  40           HA       LYS  40   1.734  19.619  17.741
  269   1HB   LYS  40          2HB       LYS  40   4.589  20.706  17.866
  270   2HB   LYS  40          3HB       LYS  40   3.343  21.122  19.054
  271   1HG   LYS  40          2HG       LYS  40   3.152  18.892  19.850
  272   2HG   LYS  40          3HG       LYS  40   3.965  18.206  18.439
  273   1HD   LYS  40          2HD       LYS  40   6.105  19.215  19.110
  274   2HD   LYS  40          3HD       LYS  40   5.324  20.019  20.477
  275   1HE   LYS  40          2HE       LYS  40   6.386  18.061  21.362
  276   2HE   LYS  40          3HE       LYS  40   4.647  17.735  21.353
  277   1HZ   LYS  40          1HZ       LYS  40   4.912  16.114  19.861
  278   2HZ   LYS  40          2HZ       LYS  40   5.937  16.979  18.921
  279   3HZ   LYS  40          3HZ       LYS  40   6.529  16.157  20.229
  280    H    GLU  41           H        GLU  41   0.504  21.405  17.971
  281    HA   GLU  41           HA       GLU  41   0.500  23.161  15.661
  282   1HB   GLU  41          2HB       GLU  41  -1.330  22.921  18.095
  283   2HB   GLU  41          3HB       GLU  41  -1.557  24.105  16.808
  284   1HG   GLU  41          2HG       GLU  41  -2.943  22.336  16.130
  285   2HG   GLU  41          3HG       GLU  41  -1.495  22.135  15.144
  286    H    LYS  42           H        LYS  42   0.227  25.524  15.945
  287    HA   LYS  42           HA       LYS  42   2.488  26.660  17.063
  288   1HB   LYS  42          2HB       LYS  42   0.378  27.586  15.536
  289   2HB   LYS  42          3HB       LYS  42   0.039  28.413  17.056
  290   1HG   LYS  42          2HG       LYS  42   2.881  28.412  15.970
  291   2HG   LYS  42          3HG       LYS  42   1.695  29.455  15.206
  292   1HD   LYS  42          2HD       LYS  42   1.932  29.474  18.222
  293   2HD   LYS  42          3HD       LYS  42   3.140  30.329  17.253
  294   1HE   LYS  42          2HE       LYS  42   0.419  30.867  16.310
  295   2HE   LYS  42          3HE       LYS  42   0.524  31.189  18.043
  296   1HZ   LYS  42          1HZ       LYS  42   1.243  32.978  16.277
  297   2HZ   LYS  42          2HZ       LYS  42   2.040  32.830  17.719
  298   3HZ   LYS  42          3HZ       LYS  42   2.683  32.181  16.347
  299    H    LEU  43           H        LEU  43   3.183  26.931  19.046
  300    HA   LEU  43           HA       LEU  43   2.023  26.035  21.312
  301   1HB   LEU  43          2HB       LEU  43   3.687  27.067  22.491
  302   2HB   LEU  43          3HB       LEU  43   4.411  26.982  20.892
  303    HG   LEU  43           HG       LEU  43   2.962  29.494  21.842
  304   1HD1  LEU  43          1HD1      LEU  43   4.870  28.671  23.401
  305   2HD1  LEU  43          2HD1      LEU  43   5.941  29.217  22.094
  306   3HD1  LEU  43          3HD1      LEU  43   4.800  30.345  22.879
  307   1HD2  LEU  43          1HD2      LEU  43   5.267  29.255  19.889
  308   2HD2  LEU  43          2HD2      LEU  43   3.597  29.068  19.398
  309   3HD2  LEU  43          3HD2      LEU  43   4.100  30.596  20.117
  310    H    GLU  44           H        GLU  44   1.101  27.147  23.224
  311    HA   GLU  44           HA       GLU  44  -1.106  28.839  22.284
  312   1HB   GLU  44          2HB       GLU  44  -2.061  28.446  24.453
  313   2HB   GLU  44          3HB       GLU  44  -1.529  26.907  23.791
  314   1HG   GLU  44          2HG       GLU  44   0.081  26.585  25.389
  315   2HG   GLU  44          3HG       GLU  44   0.564  28.263  25.444
  316    H    ASN  45           H        ASN  45  -1.744  30.611  23.938
  317    HA   ASN  45           HA       ASN  45  -1.326  32.619  24.852
  318   1HB   ASN  45          2HB       ASN  45   0.573  30.963  26.084
  319   2HB   ASN  45          3HB       ASN  45   1.557  32.254  25.414
  320   1HD2  ASN  45          1HD2      ASN  45   1.209  34.402  26.081
  321   2HD2  ASN  45          2HD2      ASN  45   0.345  34.717  27.595
  322    H    TYR  46           H        TYR  46  -0.821  34.591  23.961
  323    HA   TYR  46           HA       TYR  46   1.227  34.629  21.778
  324   1HB   TYR  46          2HB       TYR  46  -1.563  35.813  21.995
  325   2HB   TYR  46          3HB       TYR  46  -0.410  36.356  20.791
  326    HD1  TYR  46           HD1      TYR  46  -2.127  33.227  22.008
  327    HD2  TYR  46           HD2      TYR  46  -0.299  35.310  18.710
  328    HE1  TYR  46           HE1      TYR  46  -2.841  31.403  20.473
  329    HE2  TYR  46           HE2      TYR  46  -1.064  33.465  17.160
  330    HH   TYR  46           HH       TYR  46  -3.133  30.882  18.274
  331    H    LYS  47           H        LYS  47   1.704  36.982  21.179
  332    HA   LYS  47           HA       LYS  47   2.886  38.156  23.480
  333   1HB   LYS  47          2HB       LYS  47   3.648  39.899  21.970
  334   2HB   LYS  47          3HB       LYS  47   3.826  38.344  21.193
  335   1HG   LYS  47          2HG       LYS  47   2.336  38.849  19.540
  336   2HG   LYS  47          3HG       LYS  47   1.185  39.603  20.631
  337   1HD   LYS  47          2HD       LYS  47   2.521  41.656  20.747
  338   2HD   LYS  47          3HD       LYS  47   3.745  40.931  19.682
  339   1HE   LYS  47          2HE       LYS  47   1.966  40.653  17.914
  340   2HE   LYS  47          3HE       LYS  47   0.818  41.470  18.986
  341   1HZ   LYS  47          1HZ       LYS  47   2.986  42.599  17.440
  342   2HZ   LYS  47          2HZ       LYS  47   1.582  43.301  17.940
  343   3HZ   LYS  47          3HZ       LYS  47   2.854  43.200  18.966
  344    HA   PRO  48           HA       PRO  48  -0.337  40.700  24.934
  345   1HB   PRO  48          2HB       PRO  48   1.096  42.857  25.992
  346   2HB   PRO  48          3HB       PRO  48   0.887  41.269  26.777
  347   1HG   PRO  48          2HG       PRO  48   3.296  42.391  25.449
  348   2HG   PRO  48          3HG       PRO  48   3.173  41.057  26.635
  349   1HD   PRO  48          2HD       PRO  48   3.516  40.867  23.808
  350   2HD   PRO  48          3HD       PRO  48   3.282  39.531  24.960
  351    H    LYS  49           H        LYS  49  -1.622  42.494  24.496
  352    HA   LYS  49           HA       LYS  49  -0.810  43.969  22.040
  353   1HB   LYS  49          2HB       LYS  49  -3.091  44.129  21.463
  354   2HB   LYS  49          3HB       LYS  49  -2.818  42.444  21.903
  355   1HG   LYS  49          2HG       LYS  49  -3.943  42.652  23.984
  356   2HG   LYS  49          3HG       LYS  49  -3.867  44.410  23.988
  357   1HD   LYS  49          2HD       LYS  49  -5.413  42.934  21.850
  358   2HD   LYS  49          3HD       LYS  49  -6.116  43.359  23.422
  359   1HE   LYS  49          2HE       LYS  49  -5.316  45.787  22.957
  360   2HE   LYS  49          3HE       LYS  49  -5.004  45.260  21.303
  361   1HZ   LYS  49          1HZ       LYS  49  -7.178  46.089  21.313
  362   2HZ   LYS  49          2HZ       LYS  49  -7.395  44.451  21.345
  363   3HZ   LYS  49          3HZ       LYS  49  -7.585  45.341  22.718
  364    H    ASN  50           H        ASN  50  -1.453  46.240  21.873
  365    HA   ASN  50           HA       ASN  50  -2.043  47.590  24.387
  366   1HB   ASN  50          2HB       ASN  50  -0.138  49.018  24.235
  367   2HB   ASN  50          3HB       ASN  50   0.496  47.379  24.149
  368   1HD2  ASN  50          1HD2      ASN  50   1.630  49.906  23.222
  369   2HD2  ASN  50          2HD2      ASN  50   1.885  49.699  21.477
  Start of MODEL   24
    1   1H    ASP   1           H1       ASP   1   0.721  -0.612   0.100
    2   2H    ASP   1           H2       ASP   1   0.908   1.029   0.036
    3   3H    ASP   1           H3       ASP   1   2.005   0.094   0.837
    4    HA   ASP   1           HA       ASP   1   2.064   0.816  -1.883
    5   1HB   ASP   1          2HB       ASP   1   3.844  -0.031   0.178
    6   2HB   ASP   1          3HB       ASP   1   4.090  -1.107  -1.210
    7    H    GLU   2           H        GLU   2   2.005  -2.550  -0.438
    8    HA   GLU   2           HA       GLU   2   1.633  -3.852  -2.897
    9   1HB   GLU   2          2HB       GLU   2   0.897  -5.702  -1.571
   10   2HB   GLU   2          3HB       GLU   2   2.127  -4.819  -0.647
   11   1HG   GLU   2          2HG       GLU   2   0.092  -3.561   0.454
   12   2HG   GLU   2          3HG       GLU   2  -0.903  -4.829  -0.262
   13    H    ALA   3           H        ALA   3  -0.923  -2.372  -0.938
   14    HA   ALA   3           HA       ALA   3  -3.209  -3.309  -2.189
   15   1HB   ALA   3          1HB       ALA   3  -3.833  -1.957  -0.466
   16   2HB   ALA   3          2HB       ALA   3  -2.606  -0.704  -0.828
   17   3HB   ALA   3          3HB       ALA   3  -4.096  -0.820  -1.801
   18    H    GLN   4           H        GLN   4  -1.313  -0.531  -3.514
   19    HA   GLN   4           HA       GLN   4  -2.706   0.026  -5.877
   20   1HB   GLN   4          2HB       GLN   4   0.141   0.172  -4.927
   21   2HB   GLN   4          3HB       GLN   4  -0.183   0.482  -6.610
   22   1HG   GLN   4          2HG       GLN   4  -2.041   2.028  -4.940
   23   2HG   GLN   4          3HG       GLN   4  -0.359   2.294  -4.448
   24   1HE2  GLN   4          1HE2      GLN   4   1.296   2.943  -6.311
   25   2HE2  GLN   4          2HE2      GLN   4   0.402   3.706  -7.664
   26    H    PHE   5           H        PHE   5  -0.620  -2.735  -5.221
   27    HA   PHE   5           HA       PHE   5  -0.762  -3.747  -8.021
   28   1HB   PHE   5          2HB       PHE   5   1.355  -3.906  -6.457
   29   2HB   PHE   5          3HB       PHE   5   0.395  -5.022  -5.490
   30    HD1  PHE   5           HD1      PHE   5   2.430  -4.558  -8.417
   31    HD2  PHE   5           HD2      PHE   5  -0.503  -7.193  -6.619
   32    HE1  PHE   5           HE1      PHE   5   3.192  -6.377  -9.852
   33    HE2  PHE   5           HE2      PHE   5   0.220  -9.012  -8.108
   34    HZ   PHE   5           HZ       PHE   5   2.035  -8.622  -9.760
   35    H    LYS   6           H        LYS   6  -1.863  -4.582  -4.755
   36    HA   LYS   6           HA       LYS   6  -3.351  -6.941  -5.474
   37   1HB   LYS   6          2HB       LYS   6  -2.885  -5.480  -3.069
   38   2HB   LYS   6          3HB       LYS   6  -4.632  -5.481  -3.255
   39   1HG   LYS   6          2HG       LYS   6  -4.807  -7.805  -3.014
   40   2HG   LYS   6          3HG       LYS   6  -3.183  -8.087  -3.646
   41   1HD   LYS   6          2HD       LYS   6  -2.228  -7.036  -1.576
   42   2HD   LYS   6          3HD       LYS   6  -3.839  -7.067  -0.837
   43   1HE   LYS   6          2HE       LYS   6  -2.573  -9.498  -2.162
   44   2HE   LYS   6          3HE       LYS   6  -2.102  -9.054  -0.517
   45   1HZ   LYS   6          1HZ       LYS   6  -4.199 -10.636  -1.130
   46   2HZ   LYS   6          2HZ       LYS   6  -4.028  -9.835   0.289
   47   3HZ   LYS   6          3HZ       LYS   6  -4.959  -9.201  -0.908
   48    H    GLU   7           H        GLU   7  -4.214  -3.605  -5.684
   49    HA   GLU   7           HA       GLU   7  -6.963  -4.149  -6.462
   50   1HB   GLU   7          2HB       GLU   7  -7.183  -1.835  -7.055
   51   2HB   GLU   7          3HB       GLU   7  -6.393  -1.934  -5.487
   52   1HG   GLU   7          2HG       GLU   7  -4.231  -1.398  -6.461
   53   2HG   GLU   7          3HG       GLU   7  -4.843  -1.488  -8.092
   54    H    CYS   8           H        CYS   8  -3.887  -3.699  -8.134
   55    HA   CYS   8           HA       CYS   8  -5.021  -3.599 -10.809
   56   1HB   CYS   8          2HB       CYS   8  -2.594  -2.899  -9.706
   57   2HB   CYS   8          3HB       CYS   8  -2.206  -4.508 -10.274
   58    H    TYR   9           H        TYR   9  -3.454  -6.097  -8.805
   59    HA   TYR   9           HA       TYR   9  -3.853  -8.270 -10.578
   60   1HB   TYR   9          2HB       TYR   9  -2.506  -8.044  -8.364
   61   2HB   TYR   9          3HB       TYR   9  -3.990  -8.401  -7.520
   62    HD1  TYR   9           HD1      TYR   9  -5.145 -10.644  -7.913
   63    HD2  TYR   9           HD2      TYR   9  -1.289  -9.668  -9.591
   64    HE1  TYR   9           HE1      TYR   9  -4.593 -13.059  -8.021
   65    HE2  TYR   9           HE2      TYR   9  -0.696 -12.106  -9.543
   66    HH   TYR   9           HH       TYR   9  -1.901 -14.173  -9.888
   67    H    ASP  10           H        ASP  10  -6.010  -7.352  -7.840
   68    HA   ASP  10           HA       ASP  10  -8.037  -9.306  -8.390
   69   1HB   ASP  10          2HB       ASP  10  -7.629  -7.720  -6.345
   70   2HB   ASP  10          3HB       ASP  10  -8.654  -6.568  -7.185
   71    H    THR  11           H        THR  11  -7.885  -5.946  -9.330
   72    HA   THR  11           HA       THR  11 -10.276  -5.859 -10.973
   73    HB   THR  11           HB       THR  11  -7.900  -3.964 -11.098
   74    HG1  THR  11           1HG      THR  11  -8.511  -3.704  -9.188
   75   1HG2  THR  11          1HG2      THR  11  -9.485  -2.291 -11.877
   76   2HG2  THR  11          2HG2      THR  11  -9.387  -3.628 -13.024
   77   3HG2  THR  11          3HG2      THR  11 -10.797  -3.491 -11.937
   78    H    CYS  12           H        CYS  12  -6.792  -6.239 -11.900
   79    HA   CYS  12           HA       CYS  12  -7.265  -6.546 -14.734
   80   1HB   CYS  12          2HB       CYS  12  -4.954  -6.159 -13.681
   81   2HB   CYS  12          3HB       CYS  12  -5.035  -7.827 -13.109
   82    H    HIS  13           H        HIS  13  -7.251  -8.871 -11.921
   83    HA   HIS  13           HA       HIS  13  -7.896 -11.153 -13.496
   84   1HB   HIS  13          2HB       HIS  13  -7.437 -10.893 -10.854
   85   2HB   HIS  13          3HB       HIS  13  -9.188 -10.777 -10.805
   86    HD1  HIS  13           HD1      HIS  13  -9.639 -13.174  -9.840
   87    HD2  HIS  13           HD2      HIS  13  -6.760 -12.931 -12.896
   88    HE1  HIS  13           HE1      HIS  13  -8.795 -15.590 -10.253
   89    HE2  HIS  13           HE2      HIS  13  -7.162 -15.441 -12.243
   90    H    LYS  14           H        LYS  14 -10.039  -8.711 -12.235
   91    HA   LYS  14           HA       LYS  14 -12.503  -9.850 -13.225
   92   1HB   LYS  14          2HB       LYS  14 -11.700  -7.167 -12.239
   93   2HB   LYS  14          3HB       LYS  14 -13.035  -7.200 -13.425
   94   1HG   LYS  14          2HG       LYS  14 -14.268  -8.811 -12.106
   95   2HG   LYS  14          3HG       LYS  14 -12.967  -8.897 -10.889
   96   1HD   LYS  14          2HD       LYS  14 -13.253  -6.636 -10.250
   97   2HD   LYS  14          3HD       LYS  14 -14.166  -6.230 -11.718
   98   1HE   LYS  14          2HE       LYS  14 -15.562  -8.373 -10.448
   99   2HE   LYS  14          3HE       LYS  14 -15.122  -7.237  -9.167
  100   1HZ   LYS  14          1HZ       LYS  14 -16.994  -6.188  -9.925
  101   2HZ   LYS  14          2HZ       LYS  14 -16.003  -5.586 -11.086
  102   3HZ   LYS  14          3HZ       LYS  14 -16.940  -6.880 -11.417
  103    H    GLU  15           H        GLU  15 -10.652  -7.244 -14.907
  104    HA   GLU  15           HA       GLU  15 -11.997  -7.623 -17.435
  105   1HB   GLU  15          2HB       GLU  15 -10.630  -5.641 -16.628
  106   2HB   GLU  15          3HB       GLU  15  -9.190  -6.588 -17.008
  107   1HG   GLU  15          2HG       GLU  15 -10.807  -6.750 -19.348
  108   2HG   GLU  15          3HG       GLU  15 -11.084  -5.123 -18.761
  109    H    CYS  16           H        CYS  16  -9.203  -9.291 -16.139
  110    HA   CYS  16           HA       CYS  16  -8.481 -10.614 -18.528
  111   1HB   CYS  16          2HB       CYS  16  -7.051 -10.351 -16.568
  112   2HB   CYS  16          3HB       CYS  16  -7.999 -11.519 -15.667
  113    H    SER  17           H        SER  17 -10.194 -11.902 -15.668
  114    HA   SER  17           HA       SER  17 -11.071 -14.397 -16.976
  115   1HB   SER  17          2HB       SER  17 -11.055 -13.429 -14.338
  116   2HB   SER  17          3HB       SER  17 -12.763 -13.547 -14.773
  117    HG   SER  17           HG       SER  17 -12.543 -15.632 -15.003
  118    H    ASP  18           H        ASP  18 -12.428 -11.129 -16.860
  119    HA   ASP  18           HA       ASP  18 -15.091 -11.492 -17.855
  120   1HB   ASP  18          2HB       ASP  18 -14.429  -9.333 -17.132
  121   2HB   ASP  18          3HB       ASP  18 -12.993  -9.372 -18.141
  122    H    LYS  19           H        LYS  19 -11.948 -11.343 -19.679
  123    HA   LYS  19           HA       LYS  19 -13.119 -11.685 -22.183
  124   1HB   LYS  19          2HB       LYS  19 -10.473 -11.785 -20.908
  125   2HB   LYS  19          3HB       LYS  19 -10.597 -13.029 -22.127
  126   1HG   LYS  19          2HG       LYS  19 -11.634 -10.354 -22.991
  127   2HG   LYS  19          3HG       LYS  19  -9.962 -10.299 -22.466
  128   1HD   LYS  19          2HD       LYS  19  -9.161 -11.535 -24.182
  129   2HD   LYS  19          3HD       LYS  19 -10.588 -12.601 -24.256
  130   1HE   LYS  19          2HE       LYS  19 -11.944 -10.838 -25.196
  131   2HE   LYS  19          3HE       LYS  19 -10.574  -9.707 -25.162
  132   1HZ   LYS  19          1HZ       LYS  19  -9.392 -11.269 -26.622
  133   2HZ   LYS  19          2HZ       LYS  19 -10.703 -12.259 -26.669
  134   3HZ   LYS  19          3HZ       LYS  19 -10.786 -10.760 -27.350
  135    H    GLY  20           H        GLY  20 -13.377 -13.846 -19.728
  136   1HA   GLY  20          2HA       GLY  20 -14.453 -15.850 -19.592
  137   2HA   GLY  20          3HA       GLY  20 -14.413 -16.066 -21.351
  138    H    ASN  21           H        ASN  21 -11.436 -15.345 -19.676
  139    HA   ASN  21           HA       ASN  21 -10.256 -17.850 -20.551
  140   1HB   ASN  21          2HB       ASN  21  -8.926 -15.916 -18.746
  141   2HB   ASN  21          3HB       ASN  21  -8.218 -16.998 -19.928
  142   1HD2  ASN  21          1HD2      ASN  21  -7.899 -13.969 -19.443
  143   2HD2  ASN  21          2HD2      ASN  21  -8.467 -13.319 -20.926
  144    H    GLY  22           H        GLY  22  -8.697 -18.864 -18.834
  145   1HA   GLY  22          2HA       GLY  22 -10.391 -20.093 -16.735
  146   2HA   GLY  22          3HA       GLY  22  -8.714 -20.502 -17.076
  147    H    PHE  23           H        PHE  23 -10.595 -19.123 -14.783
  148    HA   PHE  23           HA       PHE  23  -9.544 -16.917 -13.630
  149   1HB   PHE  23          2HB       PHE  23 -11.178 -18.871 -12.683
  150   2HB   PHE  23          3HB       PHE  23  -9.739 -19.319 -11.773
  151    HD1  PHE  23           HD1      PHE  23  -9.919 -18.532  -9.483
  152    HD2  PHE  23           HD2      PHE  23 -11.520 -16.132 -12.692
  153    HE1  PHE  23           HE1      PHE  23 -10.685 -16.849  -7.862
  154    HE2  PHE  23           HE2      PHE  23 -12.239 -14.433 -11.086
  155    HZ   PHE  23           HZ       PHE  23 -11.859 -14.798  -8.631
  156    H    THR  24           H        THR  24  -7.941 -19.991 -12.812
  157    HA   THR  24           HA       THR  24  -5.549 -19.017 -11.574
  158    HB   THR  24           HB       THR  24  -6.399 -21.531 -12.958
  159    HG1  THR  24           1HG      THR  24  -6.585 -20.856 -10.615
  160   1HG2  THR  24          1HG2      THR  24  -4.179 -22.627 -12.390
  161   2HG2  THR  24          2HG2      THR  24  -4.237 -21.629 -13.848
  162   3HG2  THR  24          3HG2      THR  24  -3.466 -20.998 -12.367
  163    H    PHE  25           H        PHE  25  -5.883 -19.924 -15.029
  164    HA   PHE  25           HA       PHE  25  -3.279 -19.134 -15.898
  165   1HB   PHE  25          2HB       PHE  25  -4.750 -20.478 -17.304
  166   2HB   PHE  25          3HB       PHE  25  -5.991 -19.248 -17.301
  167    HD1  PHE  25           HD1      PHE  25  -5.952 -17.352 -18.770
  168    HD2  PHE  25           HD2      PHE  25  -2.478 -19.926 -18.427
  169    HE1  PHE  25           HE1      PHE  25  -5.019 -16.375 -20.827
  170    HE2  PHE  25           HE2      PHE  25  -1.513 -18.891 -20.442
  171    HZ   PHE  25           HZ       PHE  25  -2.786 -17.143 -21.681
  172    H    CYS  26           H        CYS  26  -6.325 -17.255 -15.745
  173    HA   CYS  26           HA       CYS  26  -5.283 -14.835 -16.670
  174   1HB   CYS  26          2HB       CYS  26  -7.764 -15.850 -15.413
  175   2HB   CYS  26          3HB       CYS  26  -7.380 -14.237 -14.855
  176    H    GLU  27           H        GLU  27  -5.286 -16.281 -13.413
  177    HA   GLU  27           HA       GLU  27  -4.374 -13.944 -11.979
  178   1HB   GLU  27          2HB       GLU  27  -4.980 -16.749 -11.417
  179   2HB   GLU  27          3HB       GLU  27  -3.412 -16.302 -10.742
  180   1HG   GLU  27          2HG       GLU  27  -4.799 -14.166  -9.909
  181   2HG   GLU  27          3HG       GLU  27  -6.156 -15.240 -10.143
  182    H    MET  28           H        MET  28  -2.616 -16.888 -12.980
  183    HA   MET  28           HA       MET  28   0.011 -16.095 -12.491
  184   1HB   MET  28          2HB       MET  28  -1.242 -18.284 -13.736
  185   2HB   MET  28          3HB       MET  28  -0.301 -17.590 -15.053
  186   1HG   MET  28          2HG       MET  28   1.738 -17.735 -13.695
  187   2HG   MET  28          3HG       MET  28   0.802 -18.391 -12.345
  188   1HE   MET  28          1HE       MET  28   3.431 -19.506 -13.897
  189   2HE   MET  28          2HE       MET  28   3.153 -20.914 -14.948
  190   3HE   MET  28          3HE       MET  28   2.827 -19.274 -15.555
  191    H    LYS  29           H        LYS  29  -1.959 -15.162 -15.167
  192    HA   LYS  29           HA       LYS  29   0.185 -13.690 -16.557
  193   1HB   LYS  29          2HB       LYS  29  -1.924 -14.913 -17.603
  194   2HB   LYS  29          3HB       LYS  29  -2.792 -13.454 -17.133
  195   1HG   LYS  29          2HG       LYS  29  -1.013 -12.098 -18.302
  196   2HG   LYS  29          3HG       LYS  29  -0.195 -13.599 -18.771
  197   1HD   LYS  29          2HD       LYS  29  -1.616 -14.090 -20.409
  198   2HD   LYS  29          3HD       LYS  29  -3.063 -13.575 -19.510
  199   1HE   LYS  29          2HE       LYS  29  -3.006 -11.434 -20.216
  200   2HE   LYS  29          3HE       LYS  29  -1.247 -11.337 -20.204
  201   1HZ   LYS  29          1HZ       LYS  29  -2.807 -12.732 -22.295
  202   2HZ   LYS  29          2HZ       LYS  29  -2.119 -11.237 -22.425
  203   3HZ   LYS  29          3HZ       LYS  29  -1.173 -12.572 -22.241
  204    H    CYS  30           H        CYS  30  -2.834 -12.676 -14.950
  205    HA   CYS  30           HA       CYS  30  -2.616  -9.897 -14.681
  206   1HB   CYS  30          2HB       CYS  30  -3.637 -11.916 -12.688
  207   2HB   CYS  30          3HB       CYS  30  -3.892 -10.142 -12.653
  208    H    ASP  31           H        ASP  31  -0.979 -12.327 -12.797
  209    HA   ASP  31           HA       ASP  31   0.407 -10.796 -10.813
  210   1HB   ASP  31          2HB       ASP  31   0.088 -13.413 -11.296
  211   2HB   ASP  31          3HB       ASP  31   1.603 -13.261 -12.176
  212    H    THR  32           H        THR  32   1.696 -11.980 -13.796
  213    HA   THR  32           HA       THR  32   3.918 -10.035 -13.836
  214    HB   THR  32           HB       THR  32   3.108 -12.355 -15.565
  215    HG1  THR  32           1HG      THR  32   4.532 -13.132 -14.392
  216   1HG2  THR  32          1HG2      THR  32   5.124 -10.260 -16.489
  217   2HG2  THR  32          2HG2      THR  32   5.079 -11.960 -17.085
  218   3HG2  THR  32          3HG2      THR  32   3.674 -10.893 -17.331
  219    H    ASP  33           H        ASP  33   0.621  -9.886 -15.057
  220    HA   ASP  33           HA       ASP  33   0.900  -8.088 -17.189
  221   1HB   ASP  33          2HB       ASP  33  -1.175  -9.304 -16.607
  222   2HB   ASP  33          3HB       ASP  33  -1.323  -8.329 -15.130
  223    H    CYS  34           H        CYS  34  -0.129  -7.241 -13.943
  224    HA   CYS  34           HA       CYS  34   0.653  -4.412 -14.233
  225   1HB   CYS  34          2HB       CYS  34  -0.602  -5.942 -11.928
  226   2HB   CYS  34          3HB       CYS  34  -0.269  -4.200 -11.958
  227    H    SER  35           H        SER  35   2.808  -6.147 -14.427
  228    HA   SER  35           HA       SER  35   4.453  -5.112 -12.257
  229   1HB   SER  35          2HB       SER  35   3.633  -7.418 -11.581
  230   2HB   SER  35          3HB       SER  35   4.730  -8.073 -12.851
  231    HG   SER  35           HG       SER  35   5.807  -7.865 -10.909
  232    H    VAL  36           H        VAL  36   6.777  -5.000 -13.157
  233    HA   VAL  36           HA       VAL  36   7.106  -5.562 -15.979
  234    HB   VAL  36           HB       VAL  36   9.360  -4.559 -14.317
  235   1HG1  VAL  36          1HG1      VAL  36  10.265  -4.417 -16.403
  236   2HG1  VAL  36          2HG1      VAL  36   8.709  -4.660 -17.208
  237   3HG1  VAL  36          3HG1      VAL  36   9.198  -3.052 -16.691
  238   1HG2  VAL  36          1HG2      VAL  36   8.512  -2.183 -14.718
  239   2HG2  VAL  36          2HG2      VAL  36   6.916  -2.935 -15.046
  240   3HG2  VAL  36          3HG2      VAL  36   7.711  -3.140 -13.466
  241    H    LYS  37           H        LYS  37   9.575  -6.403 -16.367
  242    HA   LYS  37           HA       LYS  37  10.371  -8.602 -14.682
  243   1HB   LYS  37          2HB       LYS  37  10.008 -10.458 -16.171
  244   2HB   LYS  37          3HB       LYS  37   8.470  -9.692 -15.812
  245   1HG   LYS  37          2HG       LYS  37   8.150  -8.890 -17.953
  246   2HG   LYS  37          3HG       LYS  37   9.859  -8.763 -18.321
  247   1HD   LYS  37          2HD       LYS  37   9.116 -11.571 -17.850
  248   2HD   LYS  37          3HD       LYS  37   8.079 -10.850 -19.073
  249   1HE   LYS  37          2HE       LYS  37   9.775 -10.638 -20.602
  250   2HE   LYS  37          3HE       LYS  37  10.915 -10.068 -19.383
  251   1HZ   LYS  37          1HZ       LYS  37  11.722 -12.097 -20.122
  252   2HZ   LYS  37          2HZ       LYS  37  11.223 -12.287 -18.614
  253   3HZ   LYS  37          3HZ       LYS  37  10.303 -12.918 -19.837
  254    H    ASP  38           H        ASP  38  12.042 -10.005 -16.043
  255    HA   ASP  38           HA       ASP  38  14.062  -8.168 -17.189
  256   1HB   ASP  38          2HB       ASP  38  14.242 -10.340 -15.421
  257   2HB   ASP  38          3HB       ASP  38  14.825 -11.009 -16.945
  258    H    VAL  39           H        VAL  39  13.993  -7.828 -19.334
  259    HA   VAL  39           HA       VAL  39  13.322 -10.064 -21.212
  260    HB   VAL  39           HB       VAL  39  11.713  -8.201 -21.105
  261   1HG1  VAL  39          1HG1      VAL  39  12.074  -6.048 -21.617
  262   2HG1  VAL  39          2HG1      VAL  39  13.769  -6.406 -21.178
  263   3HG1  VAL  39          3HG1      VAL  39  13.280  -6.414 -22.879
  264   1HG2  VAL  39          1HG2      VAL  39  11.404  -9.570 -22.893
  265   2HG2  VAL  39          2HG2      VAL  39  11.742  -8.052 -23.760
  266   3HG2  VAL  39          3HG2      VAL  39  13.012  -9.268 -23.587
  267    H    LYS  40           H        LYS  40  15.645 -10.464 -20.484
  268    HA   LYS  40           HA       LYS  40  17.799  -9.015 -21.378
  269   1HB   LYS  40          2HB       LYS  40  17.602 -12.048 -21.564
  270   2HB   LYS  40          3HB       LYS  40  19.101 -11.103 -21.634
  271   1HG   LYS  40          2HG       LYS  40  18.361 -10.147 -19.316
  272   2HG   LYS  40          3HG       LYS  40  17.202 -11.475 -19.308
  273   1HD   LYS  40          2HD       LYS  40  18.812 -12.675 -18.345
  274   2HD   LYS  40          3HD       LYS  40  19.519 -12.841 -19.955
  275   1HE   LYS  40          2HE       LYS  40  21.231 -11.356 -19.519
  276   2HE   LYS  40          3HE       LYS  40  20.202 -10.310 -18.531
  277   1HZ   LYS  40          1HZ       LYS  40  21.272 -12.896 -17.590
  278   2HZ   LYS  40          2HZ       LYS  40  21.854 -11.420 -17.150
  279   3HZ   LYS  40          3HZ       LYS  40  20.338 -11.856 -16.728
  280    H    GLU  41           H        GLU  41  18.423  -8.226 -23.168
  281    HA   GLU  41           HA       GLU  41  17.746  -9.334 -25.885
  282   1HB   GLU  41          2HB       GLU  41  17.621  -6.644 -24.567
  283   2HB   GLU  41          3HB       GLU  41  18.061  -6.682 -26.285
  284   1HG   GLU  41          2HG       GLU  41  16.092  -7.677 -26.969
  285   2HG   GLU  41          3HG       GLU  41  15.659  -8.277 -25.369
  286    H    LYS  42           H        LYS  42  19.923 -10.100 -24.422
  287    HA   LYS  42           HA       LYS  42  22.187  -9.327 -26.218
  288   1HB   LYS  42          2HB       LYS  42  22.357  -8.542 -23.717
  289   2HB   LYS  42          3HB       LYS  42  22.729 -10.240 -23.362
  290   1HG   LYS  42          2HG       LYS  42  24.623 -10.149 -24.972
  291   2HG   LYS  42          3HG       LYS  42  24.155  -8.497 -25.445
  292   1HD   LYS  42          2HD       LYS  42  24.444  -7.744 -23.103
  293   2HD   LYS  42          3HD       LYS  42  25.053  -9.358 -22.677
  294   1HE   LYS  42          2HE       LYS  42  27.084  -8.936 -23.503
  295   2HE   LYS  42          3HE       LYS  42  26.432  -8.378 -25.043
  296   1HZ   LYS  42          1HZ       LYS  42  26.482  -6.218 -24.383
  297   2HZ   LYS  42          2HZ       LYS  42  26.201  -6.526 -22.798
  298   3HZ   LYS  42          3HZ       LYS  42  27.708  -6.737 -23.423
  299    H    LEU  43           H        LEU  43  20.628 -10.911 -27.193
  300    HA   LEU  43           HA       LEU  43  20.906 -13.684 -26.794
  301   1HB   LEU  43          2HB       LEU  43  19.935 -11.924 -28.959
  302   2HB   LEU  43          3HB       LEU  43  20.936 -13.176 -29.629
  303    HG   LEU  43           HG       LEU  43  19.293 -14.513 -27.750
  304   1HD1  LEU  43          1HD1      LEU  43  17.260 -13.295 -29.541
  305   2HD1  LEU  43          2HD1      LEU  43  17.161 -13.843 -27.857
  306   3HD1  LEU  43          3HD1      LEU  43  17.857 -12.258 -28.229
  307   1HD2  LEU  43          1HD2      LEU  43  18.760 -15.944 -29.405
  308   2HD2  LEU  43          2HD2      LEU  43  18.596 -14.692 -30.659
  309   3HD2  LEU  43          3HD2      LEU  43  20.209 -15.216 -30.112
  310    H    GLU  44           H        GLU  44  22.191 -15.231 -28.064
  311    HA   GLU  44           HA       GLU  44  24.916 -14.845 -27.745
  312   1HB   GLU  44          2HB       GLU  44  23.241 -16.853 -29.198
  313   2HB   GLU  44          3HB       GLU  44  24.875 -16.686 -29.812
  314   1HG   GLU  44          2HG       GLU  44  25.378 -18.229 -28.308
  315   2HG   GLU  44          3HG       GLU  44  25.547 -16.858 -27.219
  316    H    ASN  45           H        ASN  45  26.610 -15.033 -29.344
  317    HA   ASN  45           HA       ASN  45  26.355 -13.492 -31.820
  318   1HB   ASN  45          2HB       ASN  45  26.718 -11.985 -29.342
  319   2HB   ASN  45          3HB       ASN  45  28.193 -11.839 -30.288
  320   1HD2  ASN  45          1HD2      ASN  45  24.971 -10.729 -30.018
  321   2HD2  ASN  45          2HD2      ASN  45  25.083  -9.804 -31.526
  322    H    TYR  46           H        TYR  46  28.528 -14.278 -29.292
  323    HA   TYR  46           HA       TYR  46  31.073 -14.508 -30.359
  324   1HB   TYR  46          2HB       TYR  46  29.655 -15.883 -28.147
  325   2HB   TYR  46          3HB       TYR  46  30.998 -16.792 -28.820
  326    HD1  TYR  46           HD1      TYR  46  33.186 -15.338 -29.400
  327    HD2  TYR  46           HD2      TYR  46  30.286 -14.585 -26.284
  328    HE1  TYR  46           HE1      TYR  46  34.900 -14.082 -28.125
  329    HE2  TYR  46           HE2      TYR  46  32.021 -13.371 -24.980
  330    HH   TYR  46           HH       TYR  46  35.225 -12.620 -26.310
  331    H    LYS  47           H        LYS  47  31.569 -15.203 -32.229
  332    HA   LYS  47           HA       LYS  47  30.284 -17.635 -33.349
  333   1HB   LYS  47          2HB       LYS  47  30.872 -16.893 -35.510
  334   2HB   LYS  47          3HB       LYS  47  30.274 -15.503 -34.618
  335   1HG   LYS  47          2HG       LYS  47  32.917 -15.165 -34.121
  336   2HG   LYS  47          3HG       LYS  47  33.052 -16.117 -35.615
  337   1HD   LYS  47          2HD       LYS  47  31.546 -14.463 -36.748
  338   2HD   LYS  47          3HD       LYS  47  31.443 -13.567 -35.208
  339   1HE   LYS  47          2HE       LYS  47  33.933 -13.387 -35.197
  340   2HE   LYS  47          3HE       LYS  47  33.980 -14.078 -36.826
  341   1HZ   LYS  47          1HZ       LYS  47  33.880 -11.498 -36.528
  342   2HZ   LYS  47          2HZ       LYS  47  32.935 -12.176 -37.691
  343   3HZ   LYS  47          3HZ       LYS  47  32.283 -11.733 -36.255
  344    HA   PRO  48           HA       PRO  48  33.941 -20.031 -32.678
  345   1HB   PRO  48          2HB       PRO  48  33.871 -21.808 -34.801
  346   2HB   PRO  48          3HB       PRO  48  32.895 -21.926 -33.309
  347   1HG   PRO  48          2HG       PRO  48  31.992 -21.136 -36.028
  348   2HG   PRO  48          3HG       PRO  48  31.064 -21.798 -34.650
  349   1HD   PRO  48          2HD       PRO  48  31.316 -19.069 -35.490
  350   2HD   PRO  48          3HD       PRO  48  30.418 -19.700 -34.066
  351    H    LYS  49           H        LYS  49  35.976 -20.619 -33.771
  352    HA   LYS  49           HA       LYS  49  36.833 -18.868 -36.012
  353   1HB   LYS  49          2HB       LYS  49  37.573 -17.999 -33.711
  354   2HB   LYS  49          3HB       LYS  49  38.552 -19.456 -33.555
  355   1HG   LYS  49          2HG       LYS  49  38.877 -17.855 -36.088
  356   2HG   LYS  49          3HG       LYS  49  39.420 -17.083 -34.597
  357   1HD   LYS  49          2HD       LYS  49  41.009 -18.761 -34.123
  358   2HD   LYS  49          3HD       LYS  49  40.349 -19.885 -35.310
  359   1HE   LYS  49          2HE       LYS  49  41.629 -19.136 -36.918
  360   2HE   LYS  49          3HE       LYS  49  40.964 -17.512 -36.771
  361   1HZ   LYS  49          1HZ       LYS  49  42.684 -16.891 -35.333
  362   2HZ   LYS  49          2HZ       LYS  49  43.018 -18.443 -34.885
  363   3HZ   LYS  49          3HZ       LYS  49  43.466 -17.912 -36.369
  364    H    ASN  50           H        ASN  50  38.486 -19.744 -37.348
  365    HA   ASN  50           HA       ASN  50  39.765 -22.304 -36.984
  366   1HB   ASN  50          2HB       ASN  50  37.333 -22.704 -37.788
  367   2HB   ASN  50          3HB       ASN  50  37.822 -21.978 -39.324
  368   1HD2  ASN  50          1HD2      ASN  50  37.648 -24.924 -37.498
  369   2HD2  ASN  50          2HD2      ASN  50  38.759 -25.753 -38.622
  Start of MODEL   25
    1   1H    ASP   1           H1       ASP   1   1.113  -0.923   0.224
    2   2H    ASP   1           H2       ASP   1   0.486   0.575  -0.096
    3   3H    ASP   1           H3       ASP   1   1.897   0.438   0.756
    4    HA   ASP   1           HA       ASP   1   1.590   0.600  -2.024
    5   1HB   ASP   1          2HB       ASP   1   3.971   0.131  -0.192
    6   2HB   ASP   1          3HB       ASP   1   4.137   0.435  -1.937
    7    H    GLU   2           H        GLU   2   3.359  -0.840  -3.303
    8    HA   GLU   2           HA       GLU   2   2.752  -3.727  -2.766
    9   1HB   GLU   2          2HB       GLU   2   3.103  -3.678  -5.423
   10   2HB   GLU   2          3HB       GLU   2   1.539  -3.481  -4.656
   11   1HG   GLU   2          2HG       GLU   2   1.740  -1.828  -6.425
   12   2HG   GLU   2          3HG       GLU   2   1.686  -1.015  -4.876
   13    H    ALA   3           H        ALA   3   4.538  -4.768  -2.335
   14    HA   ALA   3           HA       ALA   3   6.875  -5.004  -3.810
   15   1HB   ALA   3          1HB       ALA   3   7.056  -2.525  -2.105
   16   2HB   ALA   3          2HB       ALA   3   8.535  -3.500  -2.376
   17   3HB   ALA   3          3HB       ALA   3   7.678  -2.830  -3.756
   18    H    GLN   4           H        GLN   4   7.708  -4.008  -0.603
   19    HA   GLN   4           HA       GLN   4   8.655  -6.430   0.274
   20   1HB   GLN   4          2HB       GLN   4   8.781  -5.463   2.411
   21   2HB   GLN   4          3HB       GLN   4   8.716  -4.059   1.334
   22   1HG   GLN   4          2HG       GLN   4   6.148  -4.072   1.748
   23   2HG   GLN   4          3HG       GLN   4   6.484  -5.262   3.025
   24   1HE2  GLN   4          1HE2      GLN   4   5.561  -3.833   4.562
   25   2HE2  GLN   4          2HE2      GLN   4   6.514  -2.401   5.041
   26    H    PHE   5           H        PHE   5   5.357  -5.439   0.147
   27    HA   PHE   5           HA       PHE   5   4.260  -7.683   1.698
   28   1HB   PHE   5          2HB       PHE   5   3.321  -5.297   1.587
   29   2HB   PHE   5          3HB       PHE   5   2.881  -5.619  -0.090
   30    HD1  PHE   5           HD1      PHE   5   1.734  -5.700   3.233
   31    HD2  PHE   5           HD2      PHE   5   1.420  -7.929  -0.485
   32    HE1  PHE   5           HE1      PHE   5  -0.397  -6.653   3.910
   33    HE2  PHE   5           HE2      PHE   5  -0.638  -8.948   0.305
   34    HZ   PHE   5           HZ       PHE   5  -1.563  -8.372   2.488
   35    H    LYS   6           H        LYS   6   4.444  -6.612  -1.701
   36    HA   LYS   6           HA       LYS   6   2.861  -8.799  -2.784
   37   1HB   LYS   6          2HB       LYS   6   3.343  -7.895  -4.814
   38   2HB   LYS   6          3HB       LYS   6   3.687  -6.493  -3.843
   39   1HG   LYS   6          2HG       LYS   6   5.647  -6.413  -4.950
   40   2HG   LYS   6          3HG       LYS   6   6.216  -7.663  -3.905
   41   1HD   LYS   6          2HD       LYS   6   4.738  -8.649  -6.291
   42   2HD   LYS   6          3HD       LYS   6   6.276  -7.807  -6.555
   43   1HE   LYS   6          2HE       LYS   6   6.845  -9.531  -4.416
   44   2HE   LYS   6          3HE       LYS   6   5.709 -10.480  -5.372
   45   1HZ   LYS   6          1HZ       LYS   6   8.424  -9.893  -5.877
   46   2HZ   LYS   6          2HZ       LYS   6   7.426 -10.899  -6.720
   47   3HZ   LYS   6          3HZ       LYS   6   7.516  -9.307  -7.116
   48    H    GLU   7           H        GLU   7   6.168  -8.486  -1.682
   49    HA   GLU   7           HA       GLU   7   6.971 -11.027  -2.871
   50   1HB   GLU   7          2HB       GLU   7   8.288  -8.858  -1.272
   51   2HB   GLU   7          3HB       GLU   7   8.894 -10.502  -1.022
   52   1HG   GLU   7          2HG       GLU   7   9.054 -10.719  -3.566
   53   2HG   GLU   7          3HG       GLU   7   8.795  -8.975  -3.643
   54    H    CYS   8           H        CYS   8   5.643  -9.890   0.189
   55    HA   CYS   8           HA       CYS   8   6.245 -12.428   1.543
   56   1HB   CYS   8          2HB       CYS   8   5.632  -9.889   2.431
   57   2HB   CYS   8          3HB       CYS   8   4.039 -10.637   2.413
   58    H    TYR   9           H        TYR   9   3.431 -10.871  -0.067
   59    HA   TYR   9           HA       TYR   9   1.615 -13.023   0.368
   60   1HB   TYR   9          2HB       TYR   9   1.296 -10.589  -0.527
   61   2HB   TYR   9          3HB       TYR   9   1.778 -11.212  -2.099
   62    HD1  TYR   9           HD1      TYR   9   0.346 -12.945  -3.274
   63    HD2  TYR   9           HD2      TYR   9  -0.849 -11.020   0.445
   64    HE1  TYR   9           HE1      TYR   9  -2.035 -13.506  -3.713
   65    HE2  TYR   9           HE2      TYR   9  -3.209 -11.557  -0.118
   66    HH   TYR   9           HH       TYR   9  -4.385 -13.489  -1.392
   67    H    ASP  10           H        ASP  10   3.660 -12.328  -2.497
   68    HA   ASP  10           HA       ASP  10   2.906 -14.641  -3.977
   69   1HB   ASP  10          2HB       ASP  10   4.356 -12.492  -4.603
   70   2HB   ASP  10          3HB       ASP  10   5.723 -13.490  -4.135
   71    H    THR  11           H        THR  11   5.718 -14.025  -1.900
   72    HA   THR  11           HA       THR  11   6.847 -16.636  -2.096
   73    HB   THR  11           HB       THR  11   7.233 -14.554   0.073
   74    HG1  THR  11           1HG      THR  11   7.841 -13.675  -1.701
   75   1HG2  THR  11          1HG2      THR  11   8.682 -15.917   1.031
   76   2HG2  THR  11          2HG2      THR  11   8.354 -17.200  -0.169
   77   3HG2  THR  11          3HG2      THR  11   9.620 -15.988  -0.477
   78    H    CYS  12           H        CYS  12   4.722 -15.124   0.414
   79    HA   CYS  12           HA       CYS  12   4.536 -17.366   2.146
   80   1HB   CYS  12          2HB       CYS  12   3.757 -15.087   2.738
   81   2HB   CYS  12          3HB       CYS  12   2.413 -15.258   1.573
   82    H    HIS  13           H        HIS  13   2.691 -16.430  -0.826
   83    HA   HIS  13           HA       HIS  13   0.886 -18.612  -0.783
   84   1HB   HIS  13          2HB       HIS  13   1.188 -16.522  -2.461
   85   2HB   HIS  13          3HB       HIS  13   2.052 -17.746  -3.379
   86    HD1  HIS  13           HD1      HIS  13   0.416 -18.442  -5.161
   87    HD2  HIS  13           HD2      HIS  13  -1.335 -17.819  -1.368
   88    HE1  HIS  13           HE1      HIS  13  -2.055 -19.088  -5.369
   89    HE2  HIS  13           HE2      HIS  13  -3.134 -18.735  -3.076
   90    H    LYS  14           H        LYS  14   4.223 -18.436  -1.960
   91    HA   LYS  14           HA       LYS  14   4.307 -21.083  -3.100
   92   1HB   LYS  14          2HB       LYS  14   6.090 -19.022  -3.041
   93   2HB   LYS  14          3HB       LYS  14   6.747 -20.014  -1.728
   94   1HG   LYS  14          2HG       LYS  14   6.507 -22.021  -3.395
   95   2HG   LYS  14          3HG       LYS  14   6.325 -20.755  -4.632
   96   1HD   LYS  14          2HD       LYS  14   8.495 -19.783  -3.962
   97   2HD   LYS  14          3HD       LYS  14   8.639 -20.968  -2.652
   98   1HE   LYS  14          2HE       LYS  14   8.090 -22.352  -5.139
   99   2HE   LYS  14          3HE       LYS  14   9.434 -21.239  -5.408
  100   1HZ   LYS  14          1HZ       LYS  14   9.385 -23.003  -3.045
  101   2HZ   LYS  14          2HZ       LYS  14   9.943 -23.580  -4.471
  102   3HZ   LYS  14          3HZ       LYS  14  10.681 -22.293  -3.748
  103    H    GLU  15           H        GLU  15   5.621 -20.116   0.137
  104    HA   GLU  15           HA       GLU  15   5.820 -22.827   1.097
  105   1HB   GLU  15          2HB       GLU  15   6.992 -20.860   2.049
  106   2HB   GLU  15          3HB       GLU  15   5.450 -20.243   2.617
  107   1HG   GLU  15          2HG       GLU  15   5.733 -23.027   3.498
  108   2HG   GLU  15          3HG       GLU  15   7.233 -22.222   3.807
  109    H    CYS  16           H        CYS  16   3.098 -20.625   0.961
  110    HA   CYS  16           HA       CYS  16   1.433 -22.020   2.768
  111   1HB   CYS  16          2HB       CYS  16   1.050 -19.700   2.101
  112   2HB   CYS  16          3HB       CYS  16   0.653 -20.210   0.454
  113    H    SER  17           H        SER  17   1.053 -21.734  -0.779
  114    HA   SER  17           HA       SER  17  -0.640 -24.042  -1.094
  115   1HB   SER  17          2HB       SER  17   0.475 -22.033  -2.800
  116   2HB   SER  17          3HB       SER  17   1.012 -23.577  -3.428
  117    HG   SER  17           HG       SER  17  -0.929 -23.210  -4.327
  118    H    ASP  18           H        ASP  18   2.872 -23.725  -0.750
  119    HA   ASP  18           HA       ASP  18   3.761 -26.207  -1.815
  120   1HB   ASP  18          2HB       ASP  18   5.456 -24.657  -1.206
  121   2HB   ASP  18          3HB       ASP  18   4.688 -24.365   0.357
  122    H    LYS  19           H        LYS  19   2.249 -25.322   1.355
  123    HA   LYS  19           HA       LYS  19   2.690 -27.864   2.497
  124   1HB   LYS  19          2HB       LYS  19   1.225 -25.346   3.152
  125   2HB   LYS  19          3HB       LYS  19   0.387 -26.786   3.631
  126   1HG   LYS  19          2HG       LYS  19   3.189 -26.998   4.369
  127   2HG   LYS  19          3HG       LYS  19   2.498 -25.457   4.928
  128   1HD   LYS  19          2HD       LYS  19   0.521 -26.827   5.853
  129   2HD   LYS  19          3HD       LYS  19   1.468 -28.278   5.445
  130   1HE   LYS  19          2HE       LYS  19   3.364 -27.189   6.824
  131   2HE   LYS  19          3HE       LYS  19   2.161 -26.013   7.359
  132   1HZ   LYS  19          1HZ       LYS  19   2.555 -28.666   8.264
  133   2HZ   LYS  19          2HZ       LYS  19   1.549 -27.516   8.884
  134   3HZ   LYS  19          3HZ       LYS  19   1.032 -28.517   7.677
  135    H    GLY  20           H        GLY  20   0.843 -27.052  -0.113
  136   1HA   GLY  20          2HA       GLY  20  -0.275 -28.570  -1.495
  137   2HA   GLY  20          3HA       GLY  20  -0.529 -29.669  -0.119
  138    H    ASN  21           H        ASN  21  -1.209 -26.279   0.291
  139    HA   ASN  21           HA       ASN  21  -3.978 -26.846   0.867
  140   1HB   ASN  21          2HB       ASN  21  -2.981 -24.082   0.691
  141   2HB   ASN  21          3HB       ASN  21  -4.070 -24.806   1.876
  142   1HD2  ASN  21          1HD2      ASN  21  -1.895 -23.024   2.515
  143   2HD2  ASN  21          2HD2      ASN  21  -0.748 -24.031   3.367
  144    H    GLY  22           H        GLY  22  -5.481 -24.896   0.056
  145   1HA   GLY  22          2HA       GLY  22  -5.600 -25.296  -2.916
  146   2HA   GLY  22          3HA       GLY  22  -6.856 -24.520  -1.878
  147    H    PHE  23           H        PHE  23  -4.797 -23.806  -4.283
  148    HA   PHE  23           HA       PHE  23  -3.302 -21.578  -3.821
  149   1HB   PHE  23          2HB       PHE  23  -3.901 -22.628  -6.033
  150   2HB   PHE  23          3HB       PHE  23  -5.458 -21.823  -5.976
  151    HD1  PHE  23           HD1      PHE  23  -2.237 -21.617  -7.297
  152    HD2  PHE  23           HD2      PHE  23  -5.311 -19.030  -5.623
  153    HE1  PHE  23           HE1      PHE  23  -1.256 -19.618  -8.414
  154    HE2  PHE  23           HE2      PHE  23  -4.283 -17.114  -6.634
  155    HZ   PHE  23           HZ       PHE  23  -2.282 -17.370  -8.073
  156    H    THR  24           H        THR  24  -6.757 -21.218  -4.592
  157    HA   THR  24           HA       THR  24  -7.056 -18.519  -3.963
  158    HB   THR  24           HB       THR  24  -8.876 -20.864  -4.227
  159    HG1  THR  24           1HG      THR  24  -9.102 -19.703  -5.965
  160   1HG2  THR  24          1HG2      THR  24  -9.978 -20.048  -2.241
  161   2HG2  THR  24          2HG2      THR  24  -9.717 -18.350  -2.733
  162   3HG2  THR  24          3HG2      THR  24 -10.872 -19.386  -3.606
  163    H    PHE  25           H        PHE  25  -8.015 -21.168  -1.744
  164    HA   PHE  25           HA       PHE  25  -8.417 -19.618   0.533
  165   1HB   PHE  25          2HB       PHE  25  -8.934 -22.005   0.418
  166   2HB   PHE  25          3HB       PHE  25  -7.254 -22.399   0.127
  167    HD1  PHE  25           HD1      PHE  25  -5.684 -22.729   1.880
  168    HD2  PHE  25           HD2      PHE  25  -9.562 -21.045   2.715
  169    HE1  PHE  25           HE1      PHE  25  -5.288 -23.046   4.306
  170    HE2  PHE  25           HE2      PHE  25  -9.175 -21.344   5.140
  171    HZ   PHE  25           HZ       PHE  25  -7.030 -22.364   5.939
  172    H    CYS  26           H        CYS  26  -5.326 -20.820  -0.748
  173    HA   CYS  26           HA       CYS  26  -3.717 -20.076   1.433
  174   1HB   CYS  26          2HB       CYS  26  -3.346 -21.088  -1.323
  175   2HB   CYS  26          3HB       CYS  26  -2.178 -19.852  -0.916
  176    H    GLU  27           H        GLU  27  -4.999 -18.333  -1.400
  177    HA   GLU  27           HA       GLU  27  -3.365 -15.960  -1.035
  178   1HB   GLU  27          2HB       GLU  27  -5.519 -16.912  -2.860
  179   2HB   GLU  27          3HB       GLU  27  -5.874 -15.305  -2.205
  180   1HG   GLU  27          2HG       GLU  27  -3.245 -15.023  -2.851
  181   2HG   GLU  27          3HG       GLU  27  -3.663 -16.284  -3.961
  182    H    MET  28           H        MET  28  -6.888 -16.485  -0.417
  183    HA   MET  28           HA       MET  28  -7.341 -14.181   1.068
  184   1HB   MET  28          2HB       MET  28  -8.946 -16.130   0.408
  185   2HB   MET  28          3HB       MET  28  -8.445 -16.881   1.918
  186   1HG   MET  28          2HG       MET  28 -10.067 -15.700   2.902
  187   2HG   MET  28          3HG       MET  28  -9.085 -14.255   2.696
  188   1HE   MET  28          1HE       MET  28 -12.531 -13.655   2.539
  189   2HE   MET  28          2HE       MET  28 -13.120 -14.860   1.361
  190   3HE   MET  28          3HE       MET  28 -12.158 -15.383   2.756
  191    H    LYS  29           H        LYS  29  -5.513 -16.944   2.051
  192    HA   LYS  29           HA       LYS  29  -5.441 -16.172   4.897
  193   1HB   LYS  29          2HB       LYS  29  -5.464 -18.637   3.889
  194   2HB   LYS  29          3HB       LYS  29  -3.742 -18.342   3.683
  195   1HG   LYS  29          2HG       LYS  29  -3.684 -19.117   5.856
  196   2HG   LYS  29          3HG       LYS  29  -4.038 -17.425   6.256
  197   1HD   LYS  29          2HD       LYS  29  -6.413 -17.871   6.425
  198   2HD   LYS  29          3HD       LYS  29  -6.214 -19.503   5.754
  199   1HE   LYS  29          2HE       LYS  29  -4.788 -20.120   7.697
  200   2HE   LYS  29          3HE       LYS  29  -5.061 -18.516   8.388
  201   1HZ   LYS  29          1HZ       LYS  29  -6.651 -19.991   9.343
  202   2HZ   LYS  29          2HZ       LYS  29  -7.486 -19.064   8.275
  203   3HZ   LYS  29          3HZ       LYS  29  -7.091 -20.612   7.886
  204    H    CYS  30           H        CYS  30  -2.913 -16.760   2.395
  205    HA   CYS  30           HA       CYS  30  -0.750 -15.549   3.611
  206   1HB   CYS  30          2HB       CYS  30  -1.670 -15.707   0.726
  207   2HB   CYS  30          3HB       CYS  30  -0.135 -14.973   1.171
  208    H    ASP  31           H        ASP  31  -3.577 -14.064   2.092
  209    HA   ASP  31           HA       ASP  31  -2.701 -11.378   1.871
  210   1HB   ASP  31          2HB       ASP  31  -4.999 -12.686   1.143
  211   2HB   ASP  31          3HB       ASP  31  -5.565 -12.073   2.663
  212    H    THR  32           H        THR  32  -4.686 -12.885   4.389
  213    HA   THR  32           HA       THR  32  -4.325 -10.641   6.218
  214    HB   THR  32           HB       THR  32  -5.700 -13.292   6.279
  215    HG1  THR  32           1HG      THR  32  -7.360 -11.956   6.456
  216   1HG2  THR  32          1HG2      THR  32  -6.317 -13.056   8.631
  217   2HG2  THR  32          2HG2      THR  32  -4.563 -13.242   8.513
  218   3HG2  THR  32          3HG2      THR  32  -5.251 -11.624   8.773
  219    H    ASP  33           H        ASP  33  -2.524 -13.562   5.564
  220    HA   ASP  33           HA       ASP  33  -1.141 -13.948   7.995
  221   1HB   ASP  33          2HB       ASP  33  -1.020 -15.565   6.134
  222   2HB   ASP  33          3HB       ASP  33  -0.264 -14.337   5.125
  223    H    CYS  34           H        CYS  34   0.251 -12.465   5.087
  224    HA   CYS  34           HA       CYS  34   1.967 -10.794   6.843
  225   1HB   CYS  34          2HB       CYS  34   2.608 -12.307   4.637
  226   2HB   CYS  34          3HB       CYS  34   2.388 -10.740   3.891
  227    H    SER  35           H        SER  35   0.147  -9.484   7.445
  228    HA   SER  35           HA       SER  35  -0.049  -7.065   5.931
  229   1HB   SER  35          2HB       SER  35  -2.275  -7.025   5.152
  230   2HB   SER  35          3HB       SER  35  -1.594  -8.548   4.582
  231    HG   SER  35           HG       SER  35  -3.698  -8.689   5.503
  232    H    VAL  36           H        VAL  36   0.455  -5.984   7.735
  233    HA   VAL  36           HA       VAL  36  -0.965  -6.509  10.161
  234    HB   VAL  36           HB       VAL  36   0.672  -4.052   9.779
  235   1HG1  VAL  36          1HG1      VAL  36   0.342  -4.016  12.012
  236   2HG1  VAL  36          2HG1      VAL  36  -0.350  -5.658  12.030
  237   3HG1  VAL  36          3HG1      VAL  36   1.387  -5.437  12.149
  238   1HG2  VAL  36          1HG2      VAL  36   1.712  -6.885   9.665
  239   2HG2  VAL  36          2HG2      VAL  36   2.187  -5.448   8.727
  240   3HG2  VAL  36          3HG2      VAL  36   2.707  -5.622  10.407
  241    H    LYS  37           H        LYS  37  -1.536  -4.123  11.229
  242    HA   LYS  37           HA       LYS  37  -4.117  -3.492  10.106
  243   1HB   LYS  37          2HB       LYS  37  -2.439  -2.564  12.377
  244   2HB   LYS  37          3HB       LYS  37  -3.312  -1.230  11.654
  245   1HG   LYS  37          2HG       LYS  37  -4.856  -3.787  12.119
  246   2HG   LYS  37          3HG       LYS  37  -4.401  -2.847  13.539
  247   1HD   LYS  37          2HD       LYS  37  -5.523  -0.902  12.782
  248   2HD   LYS  37          3HD       LYS  37  -5.775  -1.544  11.148
  249   1HE   LYS  37          2HE       LYS  37  -7.395  -3.122  11.867
  250   2HE   LYS  37          3HE       LYS  37  -6.907  -2.974  13.559
  251   1HZ   LYS  37          1HZ       LYS  37  -8.618  -1.205  11.998
  252   2HZ   LYS  37          2HZ       LYS  37  -8.713  -1.604  13.591
  253   3HZ   LYS  37          3HZ       LYS  37  -7.628  -0.484  13.082
  254    H    ASP  38           H        ASP  38  -4.899  -1.644   9.108
  255    HA   ASP  38           HA       ASP  38  -2.957  -0.580   7.139
  256   1HB   ASP  38          2HB       ASP  38  -5.529  -1.650   6.841
  257   2HB   ASP  38          3HB       ASP  38  -5.826   0.077   6.824
  258    H    VAL  39           H        VAL  39  -2.374   1.488   7.186
  259    HA   VAL  39           HA       VAL  39  -3.872   3.401   8.946
  260    HB   VAL  39           HB       VAL  39  -1.651   2.581   9.801
  261   1HG1  VAL  39          1HG1      VAL  39   0.345   2.906   8.726
  262   2HG1  VAL  39          2HG1      VAL  39  -0.640   3.079   7.276
  263   3HG1  VAL  39          3HG1      VAL  39  -0.147   4.524   8.146
  264   1HG2  VAL  39          1HG2      VAL  39  -2.825   4.615  10.582
  265   2HG2  VAL  39          2HG2      VAL  39  -1.059   4.787  10.655
  266   3HG2  VAL  39          3HG2      VAL  39  -1.978   5.571   9.348
  267    H    LYS  40           H        LYS  40  -4.994   3.338   6.722
  268    HA   LYS  40           HA       LYS  40  -3.945   4.457   4.457
  269   1HB   LYS  40          2HB       LYS  40  -6.406   3.746   4.957
  270   2HB   LYS  40          3HB       LYS  40  -6.628   5.400   5.527
  271   1HG   LYS  40          2HG       LYS  40  -7.331   5.442   3.265
  272   2HG   LYS  40          3HG       LYS  40  -5.746   6.170   3.208
  273   1HD   LYS  40          2HD       LYS  40  -5.773   3.180   2.868
  274   2HD   LYS  40          3HD       LYS  40  -6.606   4.105   1.626
  275   1HE   LYS  40          2HE       LYS  40  -4.216   5.531   1.933
  276   2HE   LYS  40          3HE       LYS  40  -3.708   3.871   2.251
  277   1HZ   LYS  40          1HZ       LYS  40  -3.570   3.932  -0.015
  278   2HZ   LYS  40          2HZ       LYS  40  -5.154   3.491   0.098
  279   3HZ   LYS  40          3HZ       LYS  40  -4.747   5.061  -0.196
  280    H    GLU  41           H        GLU  41  -3.675   6.525   3.539
  281    HA   GLU  41           HA       GLU  41  -2.613   8.441   5.486
  282   1HB   GLU  41          2HB       GLU  41  -2.654   8.179   2.476
  283   2HB   GLU  41          3HB       GLU  41  -2.266   9.744   3.220
  284   1HG   GLU  41          2HG       GLU  41  -0.441   8.818   4.483
  285   2HG   GLU  41          3HG       GLU  41  -0.874   7.161   4.027
  286    H    LYS  42           H        LYS  42  -3.125  10.743   5.191
  287    HA   LYS  42           HA       LYS  42  -5.962  11.140   5.714
  288   1HB   LYS  42          2HB       LYS  42  -3.652  12.514   6.456
  289   2HB   LYS  42          3HB       LYS  42  -4.244  13.561   5.189
  290   1HG   LYS  42          2HG       LYS  42  -5.413  14.405   6.990
  291   2HG   LYS  42          3HG       LYS  42  -6.590  13.259   6.374
  292   1HD   LYS  42          2HD       LYS  42  -6.627  12.270   8.383
  293   2HD   LYS  42          3HD       LYS  42  -4.988  11.688   8.123
  294   1HE   LYS  42          2HE       LYS  42  -4.007  13.306   9.426
  295   2HE   LYS  42          3HE       LYS  42  -5.202  14.532   9.004
  296   1HZ   LYS  42          1HZ       LYS  42  -6.486  12.497  10.434
  297   2HZ   LYS  42          2HZ       LYS  42  -5.176  12.958  11.304
  298   3HZ   LYS  42          3HZ       LYS  42  -6.305  14.069  10.856
  299    H    LEU  43           H        LEU  43  -7.039  10.505   3.939
  300    HA   LEU  43           HA       LEU  43  -6.679  10.917   1.288
  301   1HB   LEU  43          2HB       LEU  43  -9.317  11.238   2.758
  302   2HB   LEU  43          3HB       LEU  43  -9.176  10.975   1.030
  303    HG   LEU  43           HG       LEU  43  -8.050   8.973   3.038
  304   1HD1  LEU  43          1HD1      LEU  43 -10.128   8.593   3.705
  305   2HD1  LEU  43          2HD1      LEU  43 -10.862   9.529   2.386
  306   3HD1  LEU  43          3HD1      LEU  43 -10.410   7.835   2.136
  307   1HD2  LEU  43          1HD2      LEU  43  -7.162   8.203   1.117
  308   2HD2  LEU  43          2HD2      LEU  43  -8.782   7.574   0.778
  309   3HD2  LEU  43          3HD2      LEU  43  -8.276   9.116   0.081
  310    H    GLU  44           H        GLU  44  -6.542  12.547  -0.114
  311    HA   GLU  44           HA       GLU  44  -6.699  15.259   1.008
  312   1HB   GLU  44          2HB       GLU  44  -4.878  14.126  -0.683
  313   2HB   GLU  44          3HB       GLU  44  -6.005  14.809  -1.862
  314   1HG   GLU  44          2HG       GLU  44  -5.782  16.930  -0.135
  315   2HG   GLU  44          3HG       GLU  44  -4.240  16.156   0.177
  316    H    ASN  45           H        ASN  45  -7.654  16.952  -0.435
  317    HA   ASN  45           HA       ASN  45 -10.032  16.077  -1.970
  318   1HB   ASN  45          2HB       ASN  45 -10.621  16.512   0.549
  319   2HB   ASN  45          3HB       ASN  45 -10.323  18.213   0.196
  320   1HD2  ASN  45          1HD2      ASN  45 -12.533  15.680   0.000
  321   2HD2  ASN  45          2HD2      ASN  45 -13.750  16.551  -0.973
  322    H    TYR  46           H        TYR  46  -8.565  19.036  -0.612
  323    HA   TYR  46           HA       TYR  46  -7.983  20.050  -3.285
  324   1HB   TYR  46          2HB       TYR  46 -10.516  20.518  -2.277
  325   2HB   TYR  46          3HB       TYR  46  -9.653  21.844  -1.530
  326    HD1  TYR  46           HD1      TYR  46 -10.119  20.118  -4.839
  327    HD2  TYR  46           HD2      TYR  46  -9.468  23.838  -2.773
  328    HE1  TYR  46           HE1      TYR  46 -10.365  21.365  -6.995
  329    HE2  TYR  46           HE2      TYR  46  -9.682  25.080  -4.905
  330    HH   TYR  46           HH       TYR  46  -9.797  24.869  -7.166
  331    H    LYS  47           H        LYS  47  -6.672  21.882  -3.221
  332    HA   LYS  47           HA       LYS  47  -5.836  23.021  -0.672
  333   1HB   LYS  47          2HB       LYS  47  -4.451  20.719  -1.496
  334   2HB   LYS  47          3HB       LYS  47  -3.408  22.029  -2.005
  335   1HG   LYS  47          2HG       LYS  47  -4.081  22.948   0.495
  336   2HG   LYS  47          3HG       LYS  47  -4.316  21.220   0.756
  337   1HD   LYS  47          2HD       LYS  47  -1.800  22.341  -0.554
  338   2HD   LYS  47          3HD       LYS  47  -1.967  22.338   1.192
  339   1HE   LYS  47          2HE       LYS  47  -2.438  19.800  -0.433
  340   2HE   LYS  47          3HE       LYS  47  -0.804  20.303   0.014
  341   1HZ   LYS  47          1HZ       LYS  47  -1.617  20.387   2.348
  342   2HZ   LYS  47          2HZ       LYS  47  -3.031  19.711   1.856
  343   3HZ   LYS  47          3HZ       LYS  47  -1.631  18.867   1.705
  344    HA   PRO  48           HA       PRO  48  -5.672  25.854  -4.223
  345   1HB   PRO  48          2HB       PRO  48  -6.926  27.960  -2.974
  346   2HB   PRO  48          3HB       PRO  48  -7.745  26.706  -3.909
  347   1HG   PRO  48          2HG       PRO  48  -7.706  27.055  -0.949
  348   2HG   PRO  48          3HG       PRO  48  -8.863  26.162  -1.981
  349   1HD   PRO  48          2HD       PRO  48  -6.700  25.105  -0.424
  350   2HD   PRO  48          3HD       PRO  48  -7.769  24.209  -1.533
  351    H    LYS  49           H        LYS  49  -4.337  27.582  -4.556
  352    HA   LYS  49           HA       LYS  49  -2.117  27.873  -2.648
  353   1HB   LYS  49          2HB       LYS  49  -1.131  29.330  -4.304
  354   2HB   LYS  49          3HB       LYS  49  -1.711  27.868  -5.092
  355   1HG   LYS  49          2HG       LYS  49  -3.306  28.962  -6.336
  356   2HG   LYS  49          3HG       LYS  49  -3.694  30.123  -5.077
  357   1HD   LYS  49          2HD       LYS  49  -1.591  31.330  -5.453
  358   2HD   LYS  49          3HD       LYS  49  -1.212  30.244  -6.803
  359   1HE   LYS  49          2HE       LYS  49  -3.941  31.515  -6.801
  360   2HE   LYS  49          3HE       LYS  49  -2.590  32.630  -6.987
  361   1HZ   LYS  49          1HZ       LYS  49  -1.993  30.562  -8.657
  362   2HZ   LYS  49          2HZ       LYS  49  -3.606  30.753  -8.880
  363   3HZ   LYS  49          3HZ       LYS  49  -2.580  32.019  -9.123
  364    H    ASN  50           H        ASN  50  -5.105  29.549  -3.192
  365    HA   ASN  50           HA       ASN  50  -4.364  31.673  -1.269
  366   1HB   ASN  50          2HB       ASN  50  -5.779  33.167  -2.456
  367   2HB   ASN  50          3HB       ASN  50  -4.736  32.470  -3.697
  368   1HD2  ASN  50          1HD2      ASN  50  -7.856  33.162  -2.862
  369   2HD2  ASN  50          2HD2      ASN  50  -8.685  32.117  -4.016