*HEADER    HYDROLASE                               31-OCT-99   1DAQ              
*TITLE     SOLUTION STRUCTURE OF THE TYPE I DOCKERIN DOMAIN FROM THE             
*TITLE    2 CLOSTRIDIUM THERMOCELLUM CELLULOSOME (MINIMIZED AVERAGE              
*TITLE    3 STRUCTURE)                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENDOGLUCANASE SS;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: TYPE I DOCKERIN DOMAIN (RESIDUES 673-741);                 
*COMPND   5 EC: 3.2.1.4;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM;                       
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PCYB2                                     
*KEYWDS    CELLULOSE DEGRADATION, CELLULOSOME, EF-HAND CALCIUM-BINDING           
*KEYWDS   2 SITE                                                                 
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    B.L.LYTLE, B.F.VOLKMAN, W.M.WESTLER, M.P.HECKMAN, J.H.D.WU            
*REVDAT   1   04-APR-01 1DAQ    0                                                


  4 LYS+ HN      5 LEU  HN      5.57                
  4 LYS+ HA      5 LEU  HN      2.72                
  4 LYS+ HA      5 LEU  QQD     8.60                
  5 LEU  HN      5 LEU  HG      4.24                
  5 LEU  HN      5 LEU  QQD     8.60                
  5 LEU  HN      8 ASP- HB2     5.21                
  5 LEU  HN      8 ASP- HB3     5.21                
  5 LEU  HN      8 ASP- QB      4.92                
  5 LEU  HN     38 ASN  QD2     6.87                
  5 LEU  HN     63 ILE  QG1     6.88                
  5 LEU  HA      5 LEU  HG      3.77                
  5 LEU  HA      5 LEU  QD1     6.31                
  5 LEU  HA      5 LEU  QD2     6.31                
  5 LEU  HA     63 ILE  HB      6.00                
  5 LEU  HA     63 ILE  QG2     7.03                
  5 LEU  HA     63 ILE  QG1     6.88                
  5 LEU  HA     63 ILE  QD1     7.03                
  5 LEU  QB      6 TYR  HN      6.19                
  5 LEU  QB      8 ASP- HN      5.76                
  5 LEU  QB      8 ASP- QB      7.54                
  5 LEU  QB     38 ASN  HD21    6.88                
  5 LEU  QB     38 ASN  HD22    6.88                
  5 LEU  HG      6 TYR  HN      5.35                
  5 LEU  HG      8 ASP- HN      4.92                
  5 LEU  HG     14 LYS+ HA      5.53                
  5 LEU  HG     38 ASN  QD2     6.87                
  5 LEU  QD1     8 ASP- HB2     9.19                
  5 LEU  QD1     8 ASP- HB3     9.19                
  5 LEU  QD2     8 ASP- HB2     9.19                
  5 LEU  QD2     8 ASP- HB3     9.19                
  5 LEU  QQD     6 TYR  HN      7.66                
  5 LEU  QQD     6 TYR  HA      8.60                
  5 LEU  QQD     6 TYR  QB      9.47                
  5 LEU  QQD     6 TYR  QD     10.74                
  5 LEU  QQD     7 GLY  QA      9.47                
  5 LEU  QQD     8 ASP- HN      6.73                
  5 LEU  QQD     8 ASP- QB      7.36                
  5 LEU  QQD    13 GLY  HN      8.38                
  5 LEU  QQD    13 GLY  QA      9.47                
  6 TYR  HN      6 TYR  QE      6.87                
  6 TYR  HN      7 GLY  HN      4.24                
  6 TYR  HN     14 LYS+ QG      6.88                
  6 TYR  HN     15 VAL  QQG     8.59                
  6 TYR  HN     66 LEU  QQD     8.60                
  6 TYR  HA      7 GLY  HN      2.76                
  6 TYR  HA      8 ASP- HN      4.27                
  6 TYR  HA     38 ASN  QB      6.88                
  6 TYR  HA     38 ASN  QD2     6.87                
  6 TYR  HA     41 LEU  QQD     8.60                
  6 TYR  QB     38 ASN  QD2     7.74                
  6 TYR  QB     41 LEU  QD1     7.90                
  6 TYR  QB     41 LEU  QD2     7.90                
  6 TYR  QB     41 LEU  QQD     7.44                
  6 TYR  QB     66 LEU  QB      7.75                
  6 TYR  QB     66 LEU  HG      6.88                
  6 TYR  QB     66 LEU  QD1     7.90                
  6 TYR  QB     66 LEU  QD2     7.90                
  6 TYR  QB     66 LEU  QQD     7.55                
  6 TYR  QB     68 TYR  QE      9.01                
  6 TYR  QD      7 GLY  HN      8.14                
  6 TYR  QD     14 LYS+ QB      9.02                
  6 TYR  QD     38 ASN  HA      8.14                
  6 TYR  QD     39 ALA  QB      9.17                
  6 TYR  QD     41 LEU  HA      8.14                
  6 TYR  QD     41 LEU  QB      9.02                
  6 TYR  QD     41 LEU  QQD    10.27                
  6 TYR  QE      7 GLY  HN      8.13                
  6 TYR  QE     14 LYS+ QB      9.01                
  6 TYR  QE     38 ASN  HB2     8.13                
  6 TYR  QE     38 ASN  HB3     8.13                
  6 TYR  QE     40 ASP- QB      9.01                
  6 TYR  QE     41 LEU  HA      8.13                
  6 TYR  QE     41 LEU  QQD    10.73                
  6 TYR  QE     55 LEU  QB      9.01                
  7 GLY  HN      8 ASP- HN      3.34                
  7 GLY  HN     37 ASP- QB      6.73                
  7 GLY  HN     38 ASN  HB2     6.00                
  7 GLY  HN     38 ASN  HB3     6.00                
  7 GLY  HN     38 ASN  QB      5.21                
  7 GLY  HN     39 ALA  HA      5.06                
  7 GLY  HN     41 LEU  QD1     7.03                
  7 GLY  HN     41 LEU  QD2     7.03                
  7 GLY  HN     41 LEU  QQD     6.70                
  7 GLY  HN     66 LEU  QQD     8.60                
  7 GLY  HA1    15 VAL  QG1     7.48                
  7 GLY  HA1    15 VAL  QG2     7.48                
  7 GLY  HA2    15 VAL  QG1     7.48                
  7 GLY  HA2    15 VAL  QG2     7.48                
  7 GLY  QA      9 VAL  QQG     9.36                
  7 GLY  QA     15 VAL  QQG     6.37                
  7 GLY  QA     41 LEU  QQD     8.90                
  7 GLY  QA     66 LEU  QQD     9.47                
  8 ASP- HN      8 ASP- HB2     3.41                
  8 ASP- HN      8 ASP- HB3     3.41                
  8 ASP- HN      8 ASP- QB      3.20                
  8 ASP- HN      9 VAL  QQG     8.59                
  8 ASP- HN     15 VAL  QQG     7.62                
  8 ASP- HN     35 ASN  QB      4.54                
  8 ASP- HN     38 ASN  QB      6.08                
  8 ASP- HA      9 VAL  HN      3.05                
  8 ASP- HA      9 VAL  QQG     8.59                
  8 ASP- HA     15 VAL  QG1     7.03                
  8 ASP- HA     15 VAL  QG2     7.03                
  8 ASP- HA     15 VAL  QQG     6.35                
  8 ASP- HB2    15 VAL  QG1    10.15                
  8 ASP- HB2    15 VAL  QG2    10.15                
  8 ASP- HB2    38 ASN  HD21    7.39                
  8 ASP- HB2    38 ASN  HD22    7.39                
  8 ASP- HB3    15 VAL  QG1    10.15                
  8 ASP- HB3    15 VAL  QG2    10.15                
  8 ASP- HB3    38 ASN  HD21    7.39                
  8 ASP- HB3    38 ASN  HD22    7.39                
  8 ASP- QB     13 GLY  HN      6.88                
  8 ASP- QB     14 LYS+ HN      6.88                
  8 ASP- QB     14 LYS+ QG      7.75                
  8 ASP- QB     15 VAL  QQG     7.74                
  8 ASP- QB     38 ASN  QD2     6.42                
  8 ASP- CG     84 CA   CA      4.00                
  9 VAL  HN      9 VAL  HB      3.66                
  9 VAL  HN      9 VAL  QG1     4.76                
  9 VAL  HN      9 VAL  QG2     4.76                
  9 VAL  HN     11 ASP- HN      4.24                
  9 VAL  HN     14 LYS+ HA      6.00                
  9 VAL  HN     19 ASP- HB2     6.00                
  9 VAL  HN     19 ASP- HB3     6.00                
  9 VAL  HN     19 ASP- QB      5.27                
  9 VAL  HA     10 ASN  HA      5.28                
  9 VAL  HA     11 ASP- HN      5.21                
  9 VAL  HA     15 VAL  HB      6.00                
  9 VAL  HA     34 ILE  HN      6.00                
  9 VAL  HA     34 ILE  QD1     7.03                
  9 VAL  HA     35 ASN  HN      4.02                
  9 VAL  HA     35 ASN  HB2     5.39                
  9 VAL  HA     35 ASN  HB3     5.39                
  9 VAL  HA     35 ASN  QB      5.00                
  9 VAL  HB     19 ASP- HN      5.06                
  9 VAL  HB     19 ASP- HA      5.60                
  9 VAL  HB     19 ASP- QB      6.88                
  9 VAL  HB     22 ALA  QB      6.24                
  9 VAL  HB     26 TYR  QD      8.14                
  9 VAL  HB     34 ILE  HA      6.00                
  9 VAL  HB     34 ILE  QG2     6.60                
  9 VAL  HB     34 ILE  QD1     6.09                
  9 VAL  HB     35 ASN  HN      5.93                
  9 VAL  QG1    10 ASN  HN      6.67                
  9 VAL  QG1    19 ASP- HA      7.03                
  9 VAL  QG1    19 ASP- HB2     7.03                
  9 VAL  QG1    19 ASP- HB3     7.03                
  9 VAL  QG1    20 ALA  HN      6.60                
  9 VAL  QG1    22 ALA  QB      8.06                
  9 VAL  QG1    23 LEU  HN      6.34                
  9 VAL  QG1    34 ILE  HA      7.03                
  9 VAL  QG1    35 ASN  HN      7.03                
  9 VAL  QG2    10 ASN  HN      6.67                
  9 VAL  QG2    19 ASP- HA      7.03                
  9 VAL  QG2    19 ASP- HB2     7.03                
  9 VAL  QG2    19 ASP- HB3     7.03                
  9 VAL  QG2    20 ALA  HN      6.60                
  9 VAL  QG2    22 ALA  QB      8.06                
  9 VAL  QG2    23 LEU  HN      6.34                
  9 VAL  QG2    34 ILE  HA      7.03                
  9 VAL  QG2    35 ASN  HN      7.03                
  9 VAL  QQG    10 ASN  HN      6.02                
  9 VAL  QQG    10 ASN  HA      8.59                
  9 VAL  QQG    16 ASN  HN      8.59                
  9 VAL  QQG    19 ASP- HN      8.59                
  9 VAL  QQG    19 ASP- HA      5.92                
  9 VAL  QQG    19 ASP- QB      6.02                
  9 VAL  QQG    20 ALA  QB      9.08                
  9 VAL  QQG    22 ALA  QB      7.37                
  9 VAL  QQG    23 LEU  HN      5.60                
  9 VAL  QQG    34 ILE  QG2     9.44                
 10 ASN  HN     10 ASN  QB      3.81                
 10 ASN  HN     11 ASP- HN      3.34                
 10 ASN  HA     11 ASP- QB      6.08                
 10 ASN  HA     22 ALA  QB      7.03                
 10 ASN  HA     34 ILE  HA      4.31                
 10 ASN  HA     34 ILE  QG2     7.03                
 10 ASN  HA     35 ASN  HN      5.06                
 10 ASN  QB     22 ALA  QB      7.90                
 10 ASN  QB     35 ASN  HN      6.88                
 10 ASN  OD1    84 CA   CA      2.80                
 10 ASN  HD21   18 THR  QG2     6.60                
 10 ASN  HD22   18 THR  QG2     6.60                
 10 ASN  QD2    12 ASP- QB      7.74                
 10 ASN  QD2    18 THR  HA      6.87                
 10 ASN  QD2    18 THR  QG2     5.95                
 11 ASP- HN     11 ASP- HA      2.87                
 11 ASP- HN     12 ASP- HN      3.48                
 11 ASP- HN     35 ASN  QB      6.88                
 11 ASP- HA     12 ASP- HN      3.30                
 11 ASP- HA     13 GLY  HN      4.27                
 12 ASP- HN     12 ASP- HB2     4.16                
 12 ASP- HN     12 ASP- HB3     4.16                
 12 ASP- HN     12 ASP- QB      3.86                
 12 ASP- HN     13 GLY  HN      2.98                
 12 ASP- HN     13 GLY  QA      5.29                
 12 ASP- HN     14 LYS+ HN      3.88                
 12 ASP- CG     84 CA   CA      4.00                
 13 GLY  HN     14 LYS+ HN      3.16                
 13 GLY  QA     59 ILE  QG1     7.75                
 14 LYS+ HN     14 LYS+ QG      6.12                
 14 LYS+ HN     14 LYS+ QE      6.88                
 14 LYS+ HN     15 VAL  QQG     7.87                
 14 LYS+ HN     59 ILE  HB      6.00                
 14 LYS+ HA     15 VAL  QQG     8.59                
 14 LYS+ HA     16 ASN  HN      5.57                
 14 LYS+ HA     16 ASN  QD2     6.87                
 14 LYS+ QB     16 ASN  HN      6.84                
 14 LYS+ QB     18 THR  HB      5.94                
 14 LYS+ QG     16 ASN  HN      6.88                
 14 LYS+ QD     63 ILE  QG2     7.90                
 14 LYS+ O      84 CA   CA      2.80                
 15 VAL  HN     15 VAL  HB      3.91                
 15 VAL  HA     16 ASN  HN      2.69                
 15 VAL  HA     19 ASP- HN      4.67                
 15 VAL  HB     16 ASN  HN      4.70                
 15 VAL  HB     26 TYR  QE      7.77                
 15 VAL  HB     35 ASN  QD2     5.97                
 15 VAL  HB     46 ARG+ HA      4.70                
 15 VAL  HB     58 TYR  QE      8.13                
 15 VAL  QG1    16 ASN  HN      5.88                
 15 VAL  QG1    19 ASP- HB2     8.74                
 15 VAL  QG1    19 ASP- HB3     8.74                
 15 VAL  QG1    46 ARG+ HA      5.08                
 15 VAL  QG2    16 ASN  HN      5.88                
 15 VAL  QG2    19 ASP- HB2     8.74                
 15 VAL  QG2    19 ASP- HB3     8.74                
 15 VAL  QG2    46 ARG+ HA      5.08                
 15 VAL  QQG    16 ASN  HN      5.27                
 15 VAL  QQG    16 ASN  HA      7.18                
 15 VAL  QQG    18 THR  HN      8.59                
 15 VAL  QQG    19 ASP- HN      8.19                
 15 VAL  QQG    19 ASP- QB      6.99                
 15 VAL  QQG    35 ASN  QD2     7.80                
 15 VAL  QQG    39 ALA  HN      7.36                
 15 VAL  QQG    46 ARG+ HA      4.67                
 15 VAL  QQG    66 LEU  QQD    11.19                
 16 ASN  HN     19 ASP- HN      3.70                
 16 ASN  HN     19 ASP- HB2     4.16                
 16 ASN  HN     19 ASP- HB3     4.16                
 16 ASN  HN     19 ASP- QB      3.70                
 16 ASN  HN     47 VAL  QQG     8.12                
 16 ASN  HA     46 ARG+ QB      6.88                
 16 ASN  HA     47 VAL  HB      5.06                
 16 ASN  HA     47 VAL  QQG     6.07                
 16 ASN  HA     52 LEU  HG      5.60                
 16 ASN  HA     59 ILE  QG1     6.88                
 16 ASN  QB     57 ARG+ HN      6.88                
 16 ASN  QD2    18 THR  HA      6.87                
 17 SER  HN     56 LYS+ HA      6.00                
 17 SER  QB     56 LYS+ HN      6.88                
 18 THR  HN     18 THR  HB      3.34                
 18 THR  HN     56 LYS+ QB      6.80                
 18 THR  HN     59 ILE  QG1     6.88                
 18 THR  HA     19 ASP- HN      3.62                
 18 THR  HA     20 ALA  QB      7.03                
 18 THR  QG2    19 ASP- HN      5.34                
 19 ASP- HN     19 ASP- HB2     3.73                
 19 ASP- HN     19 ASP- HB3     3.73                
 19 ASP- HN     19 ASP- QB      3.24                
 19 ASP- HN     20 ALA  HN      3.12                
 19 ASP- HA     21 VAL  HN      4.70                
 19 ASP- HA     22 ALA  HN      4.31                
 19 ASP- HA     22 ALA  QB      5.30                
 19 ASP- HA     23 LEU  HN      4.81                
 19 ASP- HA     23 LEU  QQD     8.60                
 19 ASP- HB2    20 ALA  HN      4.67                
 19 ASP- HB3    20 ALA  HN      4.67                
 19 ASP- QB     20 ALA  HN      4.04                
 19 ASP- QB     20 ALA  QB      6.86                
 19 ASP- QB     22 ALA  QB      7.90                
 19 ASP- QB     23 LEU  HG      6.88                
 19 ASP- OD1    84 CA   CA      2.80                
 19 ASP- OD2    84 CA   CA      2.80                
 20 ALA  HN     21 VAL  HN      4.49                
 20 ALA  HN     23 LEU  HG      6.00                
 20 ALA  HN     23 LEU  QQD     7.81                
 20 ALA  HA     23 LEU  QB      4.75                
 20 ALA  HA     23 LEU  HG      5.60                
 20 ALA  HA     24 LYS+ HN      4.67                
 20 ALA  QB     21 VAL  HA      7.03                
 21 VAL  HN     21 VAL  HB      3.23                
 21 VAL  HA     24 LYS+ HN      4.02                
 21 VAL  HA     24 LYS+ QB      5.51                
 21 VAL  HA     24 LYS+ QG      6.88                
 21 VAL  HA     25 ARG+ HN      4.56                
 21 VAL  HA     25 ARG+ QG      6.88                
 21 VAL  HA     25 ARG+ QD      5.15                
 21 VAL  HB     22 ALA  HN      3.26                
 21 VAL  QG1    22 ALA  HN      6.70                
 21 VAL  QG2    22 ALA  HN      6.70                
 21 VAL  QQG    22 ALA  HN      6.11                
 21 VAL  QQG    24 LYS+ QB      8.24                
 21 VAL  QQG    24 LYS+ QD      9.46                
 21 VAL  QQG    25 ARG+ QD      9.46                
 21 VAL  QQG    34 ILE  QG2     9.62                
 22 ALA  HN     23 LEU  HN      3.30                
 22 ALA  HN     32 ILE  QG2     7.03                
 22 ALA  HA     25 ARG+ HN      3.98                
 22 ALA  HA     25 ARG+ QB      4.32                
 22 ALA  HA     25 ARG+ QG      6.55                
 22 ALA  QB     32 ILE  QD1     8.06                
 22 ALA  QB     34 ILE  QG2     7.37                
 23 LEU  HN     23 LEU  QQD     7.23                
 23 LEU  HN     24 LYS+ HN      3.19                
 23 LEU  HN     26 TYR  QB      6.23                
 23 LEU  HN     34 ILE  QD1     7.03                
 23 LEU  HA     23 LEU  QD1     6.31                
 23 LEU  HA     23 LEU  QD2     6.31                
 23 LEU  HA     26 TYR  HN      3.12                
 23 LEU  HA     26 TYR  HB2     4.24                
 23 LEU  HA     26 TYR  HB3     4.24                
 23 LEU  HA     26 TYR  QB      3.91                
 23 LEU  HA     26 TYR  QD      8.14                
 23 LEU  HA     27 VAL  HN      3.98                
 23 LEU  HA     34 ILE  QD1     6.09                
 23 LEU  HA     47 VAL  QQG     8.12                
 23 LEU  QB     27 VAL  QQG     8.78                
 23 LEU  QB     47 VAL  QQG     9.00                
 23 LEU  HG     24 LYS+ HN      4.88                
 23 LEU  HG     34 ILE  QD1     7.03                
 23 LEU  HG     48 ASN  HA      6.00                
 23 LEU  QQD    24 LYS+ HN      7.63                
 23 LEU  QQD    26 TYR  HN      6.51                
 23 LEU  QQD    26 TYR  QD      9.94                
 23 LEU  QQD    26 TYR  QE     10.73                
 23 LEU  QQD    34 ILE  QD1     9.01                
 23 LEU  QQD    48 ASN  HA      8.60                
 24 LYS+ HN     24 LYS+ HB2     2.90                
 24 LYS+ HN     24 LYS+ HB3     2.90                
 24 LYS+ HN     24 LYS+ QG      6.77                
 24 LYS+ HN     25 ARG+ HN      3.77                
 24 LYS+ HN     27 VAL  QQG     6.36                
 24 LYS+ HA     27 VAL  HN      3.77                
 24 LYS+ HA     27 VAL  HB      4.06                
 24 LYS+ HA     27 VAL  QQG     6.79                
 24 LYS+ HA     28 LEU  HN      3.84                
 24 LYS+ QB     25 ARG+ HN      4.00                
 24 LYS+ QG     25 ARG+ HN      6.88                
 24 LYS+ QG     26 TYR  HN      6.88                
 25 ARG+ HN     25 ARG+ HB2     3.80                
 25 ARG+ HN     25 ARG+ HB3     3.80                
 25 ARG+ HN     25 ARG+ QB      3.22                
 25 ARG+ HN     25 ARG+ QD      6.88                
 25 ARG+ HN     26 TYR  HN      3.34                
 25 ARG+ HN     32 ILE  QG2     6.60                
 25 ARG+ HA     26 TYR  HN      3.48                
 25 ARG+ HA     28 LEU  HN      3.84                
 25 ARG+ HA     28 LEU  QB      4.72                
 25 ARG+ QB     26 TYR  HN      4.14                
 25 ARG+ QG     29 ARG+ QG      7.75                
 26 TYR  HN     26 TYR  HB2     3.01                
 26 TYR  HN     26 TYR  HB3     3.01                
 26 TYR  HN     27 VAL  HN      3.12                
 26 TYR  HN     27 VAL  HB      5.06                
 26 TYR  HN     34 ILE  QG2     7.03                
 26 TYR  HN     34 ILE  QD1     7.03                
 26 TYR  HA     29 ARG+ HN      3.80                
 26 TYR  HA     29 ARG+ QD      4.50                
 26 TYR  HA     32 ILE  QG1     6.88                
 26 TYR  HA     34 ILE  QD1     6.78                
 26 TYR  HB2    27 VAL  HN      4.34                
 26 TYR  HB2    32 ILE  QD1     6.02                
 26 TYR  HB2    34 ILE  QG2     6.99                
 26 TYR  HB2    34 ILE  QG1     6.88                
 26 TYR  HB2    34 ILE  QD1     6.42                
 26 TYR  HB3    27 VAL  HN      4.34                
 26 TYR  HB3    32 ILE  QD1     6.02                
 26 TYR  HB3    34 ILE  QG2     6.99                
 26 TYR  HB3    34 ILE  QG1     6.88                
 26 TYR  HB3    34 ILE  QD1     6.42                
 26 TYR  QB     27 VAL  HN      3.76                
 26 TYR  QB     27 VAL  HB      6.88                
 26 TYR  QB     32 ILE  QG1     7.75                
 26 TYR  QB     32 ILE  QD1     5.74                
 26 TYR  QB     34 ILE  QG2     6.35                
 26 TYR  QB     34 ILE  QD1     6.30                
 26 TYR  QD     27 VAL  HN      8.14                
 26 TYR  QD     27 VAL  HA      8.14                
 26 TYR  QD     27 VAL  QG1     8.92                
 26 TYR  QD     27 VAL  QG2     8.92                
 26 TYR  QD     32 ILE  HB      8.14                
 26 TYR  QD     32 ILE  QG1     9.02                
 26 TYR  QD     33 SER  HA      8.14                
 26 TYR  QD     34 ILE  QG2     9.13                
 26 TYR  QD     34 ILE  QG1     9.02                
 26 TYR  QD     34 ILE  QD1     9.17                
 26 TYR  QD     39 ALA  QB      9.17                
 26 TYR  QD     40 ASP- QB      8.30                
 26 TYR  QD     46 ARG+ HA      8.14                
 26 TYR  QD     47 VAL  QQG    10.26                
 26 TYR  QE     27 VAL  HA      8.13                
 26 TYR  QE     27 VAL  QG1     9.16                
 26 TYR  QE     27 VAL  QG2     9.16                
 26 TYR  QE     33 SER  HA      8.13                
 26 TYR  QE     34 ILE  HA      8.13                
 26 TYR  QE     34 ILE  QG2     9.16                
 26 TYR  QE     34 ILE  QG1     9.01                
 26 TYR  QE     34 ILE  QD1     9.16                
 26 TYR  QE     36 THR  HB      8.13                
 26 TYR  QE     36 THR  QG2     9.16                
 26 TYR  QE     39 ALA  QB      9.16                
 26 TYR  QE     46 ARG+ HA      8.13                
 26 TYR  QE     47 VAL  QQG     9.89                
 27 VAL  HN     27 VAL  HB      3.30                
 27 VAL  HN     27 VAL  QG1     4.83                
 27 VAL  HN     27 VAL  QG2     4.83                
 27 VAL  HN     28 LEU  HN      3.16                
 27 VAL  HA     28 LEU  HA      4.60                
 27 VAL  HA     28 LEU  QQD     8.60                
 27 VAL  HA     29 ARG+ HN      4.81                
 27 VAL  HB     28 LEU  HN      3.59                
 27 VAL  HB     29 ARG+ HN      5.89                
 27 VAL  QG1    48 ASN  HA      5.34                
 27 VAL  QG1    48 ASN  HB2     8.78                
 27 VAL  QG1    48 ASN  HB3     8.78                
 27 VAL  QG2    48 ASN  HA      5.34                
 27 VAL  QG2    48 ASN  HB2     8.78                
 27 VAL  QG2    48 ASN  HB3     8.78                
 27 VAL  QQG    28 LEU  HN      6.90                
 27 VAL  QQG    45 GLY  QA      9.46                
 27 VAL  QQG    48 ASN  HA      5.01                
 27 VAL  QQG    48 ASN  QB      7.75                
 28 LEU  HN     28 LEU  HG      4.31                
 28 LEU  HN     28 LEU  QQD     7.84                
 28 LEU  HA     29 ARG+ HN      3.48                
 28 LEU  HA     29 ARG+ QG      6.88                
 28 LEU  QB     29 ARG+ HN      5.65                
 28 LEU  QQD    29 ARG+ HN      8.60                
 29 ARG+ HN     29 ARG+ QG      6.59                
 29 ARG+ HN     29 ARG+ QD      6.88                
 29 ARG+ HA     29 ARG+ QD      6.88                
 31 GLY  QA     32 ILE  QG1     6.38                
 32 ILE  HN     32 ILE  HA      2.72                
 32 ILE  HN     32 ILE  HB      3.77                
 32 ILE  HN     32 ILE  QG1     6.88                
 32 ILE  HN     32 ILE  QD1     5.37                
 32 ILE  HA     33 SER  HN      3.55                
 32 ILE  HB     33 SER  HN      4.34                
 32 ILE  QG2    33 SER  HN      6.99                
 32 ILE  QG1    33 SER  HN      6.88                
 32 ILE  QG1    34 ILE  HN      6.88                
 32 ILE  QG1    34 ILE  QG2     7.90                
 32 ILE  QD1    33 SER  HN      7.03                
 32 ILE  QD1    33 SER  QB      7.54                
 32 ILE  QD1    34 ILE  HA      7.03                
 32 ILE  QD1    34 ILE  QG2     6.80                
 33 SER  HA     34 ILE  HN      2.87                
 33 SER  HA     34 ILE  QG2     7.03                
 33 SER  HA     34 ILE  QG1     6.88                
 34 ILE  HN     34 ILE  QG1     5.76                
 34 ILE  HN     34 ILE  QD1     7.03                
 34 ILE  HN     36 THR  QG2     7.03                
 34 ILE  HA     35 ASN  HN      3.23                
 34 ILE  HA     36 THR  HN      6.00                
 34 ILE  HB     35 ASN  HN      3.01                
 34 ILE  QG2    35 ASN  HN      5.70                
 34 ILE  QG2    36 THR  HN      6.63                
 34 ILE  QG2    36 THR  HA      7.03                
 34 ILE  QG2    36 THR  HB      6.09                
 34 ILE  QG2    36 THR  QG2     7.59                
 34 ILE  QG1    35 ASN  HN      6.88                
 34 ILE  QG1    36 THR  HN      6.88                
 34 ILE  QG1    36 THR  HB      6.88                
 34 ILE  QG1    36 THR  QG2     7.90                
 34 ILE  QD1    35 ASN  HN      7.03                
 34 ILE  QD1    35 ASN  QD2     7.35                
 34 ILE  QD1    36 THR  HN      7.03                
 34 ILE  QD1    36 THR  HB      5.41                
 34 ILE  QD1    36 THR  QG2     7.26                
 34 ILE  QD1    39 ALA  HN      7.03                
 34 ILE  QD1    39 ALA  HA      7.03                
 34 ILE  QD1    40 ASP- HN      7.03                
 35 ASN  HN     35 ASN  HB2     3.55                
 35 ASN  HN     35 ASN  HB3     3.55                
 35 ASN  HN     35 ASN  QB      3.33                
 35 ASN  HN     35 ASN  QD2     3.66                
 35 ASN  HN     36 THR  HN      4.27                
 35 ASN  HA     36 THR  HN      2.98                
 35 ASN  HA     37 ASP- HN      4.52                
 35 ASN  HB2    36 THR  HN      5.10                
 35 ASN  HB3    36 THR  HN      5.10                
 35 ASN  QB     37 ASP- HN      6.37                
 35 ASN  QB     38 ASN  HN      5.18                
 35 ASN  QB     38 ASN  QB      7.64                
 35 ASN  QB     38 ASN  QD2     7.74                
 36 THR  HN     36 THR  HB      3.52                
 36 THR  HN     36 THR  QG2     4.72                
 36 THR  HN     39 ALA  QB      7.03                
 36 THR  HA     36 THR  HB      2.94                
 36 THR  HB     37 ASP- HN      4.27                
 36 THR  HB     39 ALA  QB      4.18                
 36 THR  QG2    37 ASP- HN      7.03                
 37 ASP- HN     37 ASP- HB2     3.77                
 37 ASP- HN     37 ASP- HB3     3.77                
 37 ASP- HN     37 ASP- QB      3.33                
 37 ASP- HN     38 ASN  HN      3.55                
 37 ASP- HA     39 ALA  HN      4.70                
 38 ASN  HN     38 ASN  QB      3.83                
 38 ASN  HN     38 ASN  QD2     6.43                
 38 ASN  HN     39 ALA  HA      5.17                
 38 ASN  HN     39 ALA  QB      7.03                
 38 ASN  HN     41 LEU  QQD     8.60                
 38 ASN  HB2    39 ALA  HN      5.03                
 38 ASN  HB3    39 ALA  HN      5.03                
 39 ALA  HN     41 LEU  QD1     7.03                
 39 ALA  HN     41 LEU  QD2     7.03                
 39 ALA  HN     41 LEU  QQD     6.28                
 39 ALA  HN     46 ARG+ QG      6.88                
 39 ALA  HA     41 LEU  QQD     6.69                
 40 ASP- HN     40 ASP- HB2     3.52                
 40 ASP- HN     40 ASP- HB3     3.52                
 40 ASP- HN     40 ASP- QB      3.33                
 40 ASP- HN     41 LEU  HN      4.88                
 40 ASP- HN     41 LEU  HG      5.86                
 40 ASP- HN     41 LEU  QQD     7.05                
 40 ASP- HN     46 ARG+ QG      6.88                
 40 ASP- HN     55 LEU  HG      6.00                
 40 ASP- HA     41 LEU  HN      3.12                
 40 ASP- HA     41 LEU  HG      6.00                
 40 ASP- HB2    41 LEU  HN      5.14                
 40 ASP- HB3    41 LEU  HN      5.14                
 40 ASP- QB     43 GLU- HN      5.80                
 40 ASP- CG     96 CA   CA      4.00                
 41 LEU  HN     41 LEU  HG      6.00                
 41 LEU  HN     41 LEU  QD1     6.70                
 41 LEU  HN     41 LEU  QD2     6.70                
 41 LEU  HN     41 LEU  QQD     6.41                
 41 LEU  HN     42 ASN  HN      3.30                
 41 LEU  HN     51 ASP- HB2     6.00                
 41 LEU  HN     51 ASP- HB3     6.00                
 41 LEU  HN     51 ASP- QB      5.42                
 41 LEU  HN     55 LEU  QQD     8.42                
 41 LEU  HA     41 LEU  HG      3.91                
 41 LEU  HA     41 LEU  QD1     5.23                
 41 LEU  HA     41 LEU  QD2     5.23                
 41 LEU  HA     43 GLU- HN      4.24                
 41 LEU  HA     66 LEU  QQD     8.60                
 41 LEU  QB     42 ASN  HN      5.29                
 41 LEU  QB     51 ASP- HA      6.88                
 41 LEU  QB     66 LEU  QQD     8.79                
 41 LEU  QQD    51 ASP- HA      8.60                
 41 LEU  QQD    51 ASP- QB      9.47                
 41 LEU  QQD    58 TYR  QE     10.73                
 42 ASN  HN     43 GLU- HN      2.87                
 42 ASN  QB     50 THR  HN      6.88                
 42 ASN  OD1    96 CA   CA      2.80                
 42 ASN  HD21   50 THR  QG2     7.03                
 42 ASN  HD22   50 THR  QG2     7.03                
 42 ASN  QD2    50 THR  QG2     6.19                
 43 GLU- HN     43 GLU- HA      2.69                
 43 GLU- HN     43 GLU- HB2     4.09                
 43 GLU- HN     43 GLU- HB3     4.09                
 43 GLU- HN     43 GLU- QG      6.16                
 43 GLU- HN     44 ASP- HN      3.48                
 43 GLU- HN     45 GLY  HN      6.00                
 43 GLU- HA     44 ASP- HN      3.44                
 43 GLU- HA     45 GLY  HN      3.80                
 43 GLU- QB     45 GLY  HN      6.88                
 43 GLU- QG     44 ASP- HN      6.88                
 44 ASP- HN     44 ASP- QB      3.89                
 44 ASP- HN     45 GLY  HN      2.98                
 44 ASP- HN     45 GLY  QA      6.41                
 44 ASP- QB     48 ASN  HA      5.36                
 44 ASP- CG     96 CA   CA      4.00                
 45 GLY  HN     46 ARG+ HN      3.16                
 45 GLY  HN     46 ARG+ QB      6.34                
 45 GLY  QA     47 VAL  QQG     9.00                
 46 ARG+ HN     46 ARG+ HB2     3.95                
 46 ARG+ HN     46 ARG+ HB3     3.95                
 46 ARG+ HN     46 ARG+ QB      3.51                
 46 ARG+ HN     46 ARG+ QG      6.88                
 46 ARG+ HN     46 ARG+ QD      6.88                
 46 ARG+ QB     47 VAL  QQG     7.74                
 46 ARG+ QB     48 ASN  QD2     7.74                
 46 ARG+ QG     47 VAL  QQG     8.49                
 46 ARG+ O      96 CA   CA      2.80                
 47 VAL  HA     48 ASN  HN      2.83                
 47 VAL  HA     51 ASP- HN      4.99                
 47 VAL  QQG    48 ASN  HN      7.11                
 47 VAL  QQG    48 ASN  HA      8.12                
 47 VAL  QQG    56 LYS+ QB      7.63                
 48 ASN  HN     48 ASN  QB      3.76                
 48 ASN  HN     50 THR  HB      6.00                
 48 ASN  HN     51 ASP- HN      3.62                
 48 ASN  HN     52 LEU  HN      5.78                
 48 ASN  HA     50 THR  HN      5.17                
 48 ASN  QD2    49 SER  HA      6.87                
 48 ASN  QD2    51 ASP- QB      7.06                
 49 SER  HN     50 THR  HB      4.02                
 50 THR  HN     50 THR  HB      3.77                
 50 THR  HN     51 ASP- HN      3.80                
 50 THR  HA     53 GLY  HN      4.63                
 50 THR  HB     51 ASP- HN      3.91                
 50 THR  QG2    51 ASP- HN      5.98                
 51 ASP- HN     51 ASP- HB2     3.62                
 51 ASP- HN     51 ASP- HB3     3.62                
 51 ASP- HN     51 ASP- QB      3.28                
 51 ASP- HN     52 LEU  HN      3.19                
 51 ASP- HN     52 LEU  QB      5.90                
 51 ASP- HN     55 LEU  QQD     8.35                
 51 ASP- HA     54 ILE  HN      4.34                
 51 ASP- HA     54 ILE  HB      3.73                
 51 ASP- HA     54 ILE  QG2     7.03                
 51 ASP- HB2    52 LEU  HN      3.98                
 51 ASP- HB3    52 LEU  HN      3.98                
 51 ASP- QB     52 LEU  HN      3.59                
 51 ASP- QB     52 LEU  QQD     9.47                
 51 ASP- QB     55 LEU  QQD     8.36                
 51 ASP- OD1    96 CA   CA      2.80                
 51 ASP- OD2    96 CA   CA      2.80                
 52 LEU  HN     52 LEU  HB2     4.02                
 52 LEU  HN     52 LEU  HB3     4.02                
 52 LEU  HN     52 LEU  QB      3.40                
 52 LEU  HN     52 LEU  HG      3.55                
 52 LEU  HN     52 LEU  QQD     7.91                
 52 LEU  HN     53 GLY  HN      3.19                
 52 LEU  HN     54 ILE  QG1     5.98                
 52 LEU  HN     55 LEU  QQD     7.01                
 52 LEU  HA     52 LEU  HG      4.16                
 52 LEU  HA     52 LEU  QD1     6.52                
 52 LEU  HA     52 LEU  QD2     6.52                
 52 LEU  HA     55 LEU  HN      3.84                
 52 LEU  HA     55 LEU  QB      5.26                
 52 LEU  HA     56 LYS+ HN      4.85                
 52 LEU  HB2    53 GLY  HN      4.09                
 52 LEU  HB3    53 GLY  HN      4.09                
 52 LEU  QB     53 GLY  HN      3.58                
 52 LEU  HG     53 GLY  HN      4.63                
 52 LEU  QD1    53 GLY  HN      7.03                
 52 LEU  QD2    53 GLY  HN      7.03                
 52 LEU  QQD    55 LEU  QB      9.47                
 52 LEU  QQD    56 LYS+ HN      8.60                
 52 LEU  QQD    56 LYS+ QG      9.01                
 53 GLY  HN     54 ILE  HN      3.48                
 53 GLY  HN     54 ILE  QG1     6.88                
 53 GLY  HN     56 LYS+ QB      6.12                
 53 GLY  QA     55 LEU  QQD     6.85                
 53 GLY  QA     56 LYS+ HN      5.83                
 53 GLY  QA     56 LYS+ QB      6.35                
 53 GLY  QA     57 ARG+ QG      7.75                
 54 ILE  HN     54 ILE  HB      2.80                
 54 ILE  HN     54 ILE  QD1     5.34                
 54 ILE  HN     55 LEU  HN      3.37                
 54 ILE  HN     55 LEU  QQD     7.52                
 54 ILE  HA     57 ARG+ HN      3.91                
 54 ILE  HA     57 ARG+ QB      5.94                
 54 ILE  HA     57 ARG+ HG2     6.00                
 54 ILE  HA     57 ARG+ HG3     6.00                
 54 ILE  HA     58 TYR  HN      4.45                
 54 ILE  HA     58 TYR  QD      8.14                
 54 ILE  HA     59 ILE  QG2     7.03                
 54 ILE  HA     66 LEU  HG      5.89                
 54 ILE  HB     55 LEU  HN      3.05                
 54 ILE  QG2    55 LEU  HN      6.02                
 54 ILE  QG2    55 LEU  HA      6.99                
 54 ILE  QG2    56 LYS+ HN      7.03                
 54 ILE  QG2    57 ARG+ HN      7.03                
 54 ILE  QG2    58 TYR  QB      7.90                
 54 ILE  QG2    68 TYR  HB2     6.38                
 54 ILE  QG2    68 TYR  HB3     6.38                
 54 ILE  QG2    68 TYR  QD      9.17                
 54 ILE  QG1    58 TYR  HN      6.88                
 54 ILE  QG1    58 TYR  QE      9.01                
 54 ILE  QD1    58 TYR  HN      6.96                
 54 ILE  QD1    58 TYR  QD      9.17                
 54 ILE  QD1    58 TYR  QE      9.16                
 54 ILE  QD1    68 TYR  HN      7.03                
 54 ILE  QD1    68 TYR  QD      9.17                
 54 ILE  QD1    68 TYR  QE      9.16                
 55 LEU  HN     55 LEU  HG      5.78                
 55 LEU  HN     55 LEU  QD1     4.98                
 55 LEU  HN     55 LEU  QD2     4.98                
 55 LEU  HN     55 LEU  QQD     4.63                
 55 LEU  HA     55 LEU  HG      4.24                
 55 LEU  HA     55 LEU  QD1     6.45                
 55 LEU  HA     55 LEU  QD2     6.45                
 55 LEU  HA     58 TYR  HN      3.41                
 55 LEU  HA     58 TYR  QB      5.22                
 55 LEU  HA     66 LEU  HG      6.00                
 55 LEU  HA     66 LEU  QD1     7.03                
 55 LEU  HA     66 LEU  QD2     7.03                
 55 LEU  QB     56 LYS+ HN      4.36                
 55 LEU  QD1    56 LYS+ HN      6.49                
 55 LEU  QD1    58 TYR  HN      7.03                
 55 LEU  QD1    58 TYR  QD      8.92                
 55 LEU  QD1    58 TYR  QE      9.16                
 55 LEU  QD2    56 LYS+ HN      6.49                
 55 LEU  QD2    58 TYR  HN      7.03                
 55 LEU  QD2    58 TYR  QD      8.92                
 55 LEU  QD2    58 TYR  QE      9.16                
 55 LEU  QQD    56 LYS+ HN      6.17                
 55 LEU  QQD    58 TYR  QD      8.35                
 55 LEU  QQD    58 TYR  QE      8.44                
 55 LEU  QQD    59 ILE  HN      8.60                
 56 LYS+ HN     56 LYS+ QG      6.88                
 56 LYS+ HN     56 LYS+ QD      5.11                
 56 LYS+ HN     57 ARG+ HN      3.30                
 56 LYS+ HN     59 ILE  QG2     7.03                
 56 LYS+ HN     59 ILE  HG12    6.00                
 56 LYS+ HN     59 ILE  HG13    6.00                
 56 LYS+ HN     59 ILE  QG1     5.27                
 56 LYS+ HN     59 ILE  QD1     7.03                
 56 LYS+ HA     56 LYS+ QD      6.73                
 56 LYS+ HA     59 ILE  HN      5.64                
 56 LYS+ HA     59 ILE  HB      5.42                
 56 LYS+ HA     59 ILE  QG2     6.85                
 56 LYS+ HA     59 ILE  QG1     6.41                
 56 LYS+ HA     59 ILE  QD1     6.06                
 56 LYS+ HA     60 LEU  QB      5.76                
 56 LYS+ HA     60 LEU  QQD     8.13                
 56 LYS+ QB     56 LYS+ QE      7.75                
 56 LYS+ QG     60 LEU  QQD     9.01                
 56 LYS+ QD     58 TYR  HN      6.80                
 56 LYS+ QE     60 LEU  QQD     9.01                
 57 ARG+ HN     57 ARG+ HB2     3.05                
 57 ARG+ HN     57 ARG+ HB3     3.05                
 57 ARG+ HN     57 ARG+ QB      2.74                
 57 ARG+ HN     57 ARG+ HG2     4.56                
 57 ARG+ HN     57 ARG+ HG3     4.56                
 57 ARG+ HN     57 ARG+ QG      4.23                
 57 ARG+ HN     57 ARG+ QD      6.88                
 57 ARG+ HN     58 TYR  HN      3.26                
 57 ARG+ HA     60 LEU  QB      4.61                
 57 ARG+ HA     60 LEU  QQD     7.70                
 57 ARG+ HB2    58 TYR  HN      4.56                
 57 ARG+ HB3    58 TYR  HN      4.56                
 57 ARG+ QB     58 TYR  HN      3.91                
 57 ARG+ QB     66 LEU  HA      6.88                
 57 ARG+ QB     66 LEU  HG      6.23                
 58 TYR  HN     58 TYR  HB2     3.37                
 58 TYR  HN     58 TYR  HB3     3.37                
 58 TYR  HN     58 TYR  QB      3.11                
 58 TYR  HN     66 LEU  HG      5.32                
 58 TYR  HN     66 LEU  QQD     8.60                
 58 TYR  HA     60 LEU  HN      4.20                
 58 TYR  HA     62 GLU- HN      3.73                
 58 TYR  HB2    59 ILE  HN      4.60                
 58 TYR  HB2    66 LEU  HG      6.00                
 58 TYR  HB2    66 LEU  QD1     8.78                
 58 TYR  HB2    66 LEU  QD2     8.78                
 58 TYR  HB3    59 ILE  HN      4.60                
 58 TYR  HB3    66 LEU  HG      6.00                
 58 TYR  HB3    66 LEU  QD1     8.78                
 58 TYR  HB3    66 LEU  QD2     8.78                
 58 TYR  QB     59 ILE  HN      3.90                
 58 TYR  QB     59 ILE  QG1     7.75                
 58 TYR  QB     60 LEU  HN      5.87                
 58 TYR  QB     61 LYS+ HN      6.41                
 58 TYR  QB     63 ILE  QG2     7.90                
 58 TYR  QB     63 ILE  QD1     7.69                
 58 TYR  QB     65 THR  QG2     7.90                
 58 TYR  QB     66 LEU  HG      5.72                
 58 TYR  QB     66 LEU  QQD     7.04                
 58 TYR  QD     59 ILE  HN      8.14                
 58 TYR  QD     59 ILE  HA      8.14                
 58 TYR  QD     59 ILE  HG12    8.14                
 58 TYR  QD     59 ILE  HG13    8.14                
 58 TYR  QD     61 LYS+ HA      8.14                
 58 TYR  QD     61 LYS+ QD      9.02                
 58 TYR  QD     63 ILE  HB      8.14                
 58 TYR  QD     63 ILE  QG1     9.02                
 58 TYR  QD     63 ILE  QD1     9.17                
 58 TYR  QD     64 ASP- HA      8.14                
 58 TYR  QD     65 THR  HA      8.14                
 58 TYR  QD     66 LEU  QB      9.02                
 58 TYR  QD     66 LEU  HG      8.14                
 58 TYR  QD     66 LEU  QD1     9.17                
 58 TYR  QD     66 LEU  QD2     9.17                
 58 TYR  QD     66 LEU  QQD     8.98                
 58 TYR  QE     59 ILE  HA      8.13                
 58 TYR  QE     59 ILE  QG1     9.01                
 58 TYR  QE     64 ASP- HA      7.45                
 58 TYR  QE     65 THR  HA      7.70                
 58 TYR  QE     65 THR  QG2     9.16                
 58 TYR  QE     66 LEU  QB      9.01                
 58 TYR  QE     66 LEU  HG      8.13                
 58 TYR  QE     66 LEU  QD1     9.16                
 58 TYR  QE     66 LEU  QD2     9.16                
 59 ILE  HN     59 ILE  HG12    4.09                
 59 ILE  HN     59 ILE  HG13    4.09                
 59 ILE  HN     59 ILE  QG1     3.66                
 59 ILE  HN     59 ILE  QD1     7.03                
 59 ILE  HN     60 LEU  HN      3.23                
 59 ILE  HN     61 LYS+ HN      6.00                
 59 ILE  HN     66 LEU  QQD     8.60                
 59 ILE  HA     61 LYS+ HN      4.38                
 59 ILE  QG2    61 LYS+ HN      7.03                
 59 ILE  QG2    66 LEU  QB      5.85                
 59 ILE  QG1    60 LEU  HN      6.88                
 60 LEU  HN     60 LEU  QQD     7.48                
 60 LEU  HN     61 LYS+ HN      3.37                
 60 LEU  QB     61 LYS+ HN      5.04                
 60 LEU  QB     63 ILE  QG2     7.90                
 60 LEU  QB     63 ILE  QD1     7.90                
 60 LEU  QQD    61 LYS+ HN      8.13                
 60 LEU  QQD    62 GLU- HN      8.13                
 61 LYS+ HN     61 LYS+ QG      5.87                
 61 LYS+ HN     61 LYS+ QD      6.88                
 61 LYS+ HN     62 GLU- HN      3.23                
 61 LYS+ HA     61 LYS+ QD      6.19                
 61 LYS+ HA     63 ILE  HN      3.91                
 61 LYS+ QB     62 GLU- HN      4.46                
 61 LYS+ QG     63 ILE  HN      6.80                
 62 GLU- HN     62 GLU- QB      3.57                
 62 GLU- HN     62 GLU- QG      4.90                
 62 GLU- HN     63 ILE  HN      2.94                
 62 GLU- HB2    63 ILE  HN      4.16                
 62 GLU- HB3    63 ILE  HN      4.16                
 62 GLU- QB     63 ILE  HN      3.87                
 63 ILE  HN     63 ILE  HB      3.88                
 63 ILE  HN     63 ILE  QG1     6.16                
 63 ILE  HA     64 ASP- HN      2.51                
 63 ILE  HB     64 ASP- HN      4.27                
 63 ILE  QG2    64 ASP- HN      7.03                
 63 ILE  QG1    64 ASP- HN      6.88                
 63 ILE  QG1    65 THR  HN      6.16                
 63 ILE  QD1    66 LEU  HN      7.03                
 64 ASP- HN     65 THR  HN      3.91                
 64 ASP- HB2    65 THR  HN      4.49                
 64 ASP- HB3    65 THR  HN      4.49                
 65 THR  HN     65 THR  HB      3.91                
 65 THR  HN     66 LEU  QB      5.51                
 65 THR  HA     66 LEU  QB      5.94                
 65 THR  HA     68 TYR  QD      8.07                
 65 THR  HB     66 LEU  HN      4.20                
 65 THR  QG2    66 LEU  HN      7.03                
 65 THR  QG2    68 TYR  QD      9.17                
 66 LEU  HN     66 LEU  QB      3.75                
 66 LEU  HN     66 LEU  HG      4.67                
 66 LEU  HN     66 LEU  QD1     7.03                
 66 LEU  HN     66 LEU  QD2     7.03                
 66 LEU  HA     66 LEU  QD1     6.06                
 66 LEU  HA     66 LEU  QD2     6.06                
 66 LEU  HA     68 TYR  HN      4.02                
 66 LEU  QB     68 TYR  QD      9.02                
 66 LEU  HG     68 TYR  HB2     6.00                
 66 LEU  HG     68 TYR  HB3     6.00                
 66 LEU  HG     68 TYR  QD      8.14                
 66 LEU  HG     68 TYR  QE      8.13                
 66 LEU  QD1    68 TYR  HB2    10.17                
 66 LEU  QD1    68 TYR  HB3    10.17                
 66 LEU  QD2    68 TYR  HB2    10.17                
 66 LEU  QD2    68 TYR  HB3    10.17                
 66 LEU  QQD    68 TYR  HN      7.88                
 66 LEU  QQD    68 TYR  QB      8.30                
 66 LEU  QQD    68 TYR  QD     10.74                
 66 LEU  QQD    68 TYR  QE     10.73                
 68 TYR  HN     68 TYR  QB      3.72                





  Entry H atom name         Submitted Coord H atom name
    1    H    MET   1           H        MET   1   3.216  19.907   6.851
    2    HA   MET   1           HA       MET   1   4.190  21.516   8.672
    3   1HB   MET   1          2HB       MET   1   1.134  21.715   8.732
    4   2HB   MET   1          1HB       MET   1   2.113  22.107  10.132
    5   1HG   MET   1          2HG       MET   1   3.362  23.809   8.744
    6   2HG   MET   1          1HG       MET   1   2.309  23.448   7.390
    7   1HE   MET   1          1HE       MET   1   1.326  26.952   8.745
    8   2HE   MET   1          2HE       MET   1   2.589  26.040   7.885
    9   3HE   MET   1          3HE       MET   1   0.926  26.068   7.253
   10    H    SER   2           H        SER   2   1.434  19.208   8.291
   11    HA   SER   2           HA       SER   2   2.864  17.297   9.819
   12   1HB   SER   2          2HB       SER   2   0.636  18.853  11.048
   13   2HB   SER   2          1HB       SER   2   0.535  17.117  11.265
   14    HG   SER   2           HG       SER   2   1.986  17.336  12.811
   15    H    THR   3           H        THR   3   2.174  15.189   9.272
   16    HA   THR   3           HA       THR   3  -0.420  14.782   8.099
   17    HB   THR   3           HB       THR   3   0.734  15.690   6.138
   18    HG1  THR   3           1HG      THR   3  -0.448  13.826   5.581
   19   1HG2  THR   3          1HG2      THR   3   3.102  14.930   7.195
   20   2HG2  THR   3          2HG2      THR   3   2.785  13.476   6.218
   21   3HG2  THR   3          3HG2      THR   3   2.882  15.073   5.436
   22    H    LYS   4           H        LYS   4  -0.871  12.493   7.696
   23    HA   LYS   4           HA       LYS   4   1.045  10.744   9.057
   24   1HB   LYS   4          2HB       LYS   4  -1.715  11.406   9.868
   25   2HB   LYS   4          1HB       LYS   4  -1.379   9.688   9.793
   26   1HG   LYS   4          2HG       LYS   4   0.075   9.758  11.572
   27   2HG   LYS   4          1HG       LYS   4   0.797  11.269  11.056
   28   1HD   LYS   4          2HD       LYS   4  -1.397  12.415  11.820
   29   2HD   LYS   4          1HD       LYS   4  -1.814  10.892  12.582
   30   1HE   LYS   4          2HE       LYS   4  -0.039  11.027  14.144
   31   2HE   LYS   4          1HE       LYS   4   0.898  12.118  13.144
   32   1HZ   LYS   4          1HZ       LYS   4  -0.009  13.758  14.268
   33   2HZ   LYS   4          2HZ       LYS   4  -1.484  13.381  13.678
   34   3HZ   LYS   4          3HZ       LYS   4  -0.988  12.749  15.099
   35    H    LEU   5           H        LEU   5   1.734   9.328   7.550
   36    HA   LEU   5           HA       LEU   5  -0.099   7.663   6.220
   37   1HB   LEU   5          2HB       LEU   5   0.158   8.337   3.956
   38   2HB   LEU   5          1HB       LEU   5  -0.468   9.688   4.881
   39    HG   LEU   5           HG       LEU   5   2.330   9.327   3.793
   40   1HD1  LEU   5          1HD1      LEU   5   1.715  10.682   2.140
   41   2HD1  LEU   5          2HD1      LEU   5   0.037  10.449   2.686
   42   3HD1  LEU   5          3HD1      LEU   5   0.977  11.847   3.266
   43   1HD2  LEU   5          1HD2      LEU   5   1.334  11.169   5.940
   44   2HD2  LEU   5          2HD2      LEU   5   2.868  10.273   5.823
   45   3HD2  LEU   5          3HD2      LEU   5   2.602  11.717   4.818
   46    H    TYR   6           H        TYR   6   0.979   5.878   5.216
   47    HA   TYR   6           HA       TYR   6   3.883   5.954   5.203
   48   1HB   TYR   6          2HB       TYR   6   3.042   5.253   7.523
   49   2HB   TYR   6          1HB       TYR   6   2.111   3.975   6.768
   50    HD1  TYR   6           1HD      TYR   6   3.102   2.069   7.771
   51    HD2  TYR   6           2HD      TYR   6   5.580   4.982   5.853
   52    HE1  TYR   6           1HE      TYR   6   5.099   0.507   7.962
   53    HE2  TYR   6           2HE      TYR   6   7.568   3.411   6.051
   54    HH   TYR   6           HH       TYR   6   8.320   1.571   6.967
   55    H    GLY   7           H        GLY   7   4.204   5.391   3.091
   56   1HA   GLY   7          2HA       GLY   7   4.430   3.816   1.440
   57   2HA   GLY   7          1HA       GLY   7   3.287   2.766   2.254
   58    H    ASP   8           H        ASP   8   3.217   6.148   0.899
   59    HA   ASP   8           HA       ASP   8   0.571   5.574  -0.086
   60   1HB   ASP   8          2HB       ASP   8   1.735   7.834   1.003
   61   2HB   ASP   8          1HB       ASP   8   1.860   8.192  -0.707
   62    H    VAL   9           H        VAL   9   0.040   5.927  -2.407
   63    HA   VAL   9           HA       VAL   9   2.336   5.360  -4.111
   64    HB   VAL   9           HB       VAL   9  -0.650   5.178  -4.553
   65   1HG1  VAL   9          1HG1      VAL   9   1.079   5.632  -6.551
   66   2HG1  VAL   9          2HG1      VAL   9   1.283   3.870  -6.410
   67   3HG1  VAL   9          3HG1      VAL   9  -0.329   4.556  -6.726
   68   1HG2  VAL   9          1HG2      VAL   9   1.440   3.002  -4.195
   69   2HG2  VAL   9          2HG2      VAL   9   0.244   3.508  -2.977
   70   3HG2  VAL   9          3HG2      VAL   9  -0.298   2.757  -4.497
   71    H    ASN  10           H        ASN  10  -0.623   7.477  -4.091
   72    HA   ASN  10           HA       ASN  10   0.880   9.278  -5.809
   73   1HB   ASN  10          2HB       ASN  10  -1.569  10.330  -5.978
   74   2HB   ASN  10          1HB       ASN  10  -1.160   8.908  -6.915
   75   1HD2  ASN  10          1HD2      ASN  10  -3.390   8.418  -6.964
   76   2HD2  ASN  10          2HD2      ASN  10  -4.186   7.646  -5.635
   77    H    ASP  11           H        ASP  11   1.046   8.909  -2.763
   78    HA   ASP  11           HA       ASP  11   1.118  10.080  -0.938
   79   1HB   ASP  11          2HB       ASP  11   2.141  11.711  -2.932
   80   2HB   ASP  11          1HB       ASP  11   0.922  12.758  -2.232
   81    H    ASP  12           H        ASP  12  -1.504   9.304  -1.670
   82    HA   ASP  12           HA       ASP  12  -3.131  11.669  -1.324
   83   1HB   ASP  12          2HB       ASP  12  -4.137  10.366  -2.973
   84   2HB   ASP  12          1HB       ASP  12  -3.553   8.861  -2.291
   85    H    GLY  13           H        GLY  13  -2.485   8.378   0.074
   86   1HA   GLY  13          2HA       GLY  13  -2.947   9.324   2.748
   87   2HA   GLY  13          1HA       GLY  13  -4.233   8.288   2.162
   88    H    LYS  14           H        LYS  14  -2.913   6.419   0.561
   89    HA   LYS  14           HA       LYS  14  -0.555   5.412   1.666
   90   1HB   LYS  14          2HB       LYS  14  -1.722   3.337   2.731
   91   2HB   LYS  14          1HB       LYS  14  -1.505   4.801   3.670
   92   1HG   LYS  14          2HG       LYS  14  -4.000   4.934   2.148
   93   2HG   LYS  14          1HG       LYS  14  -3.952   3.468   3.107
   94   1HD   LYS  14          2HD       LYS  14  -3.932   4.615   5.133
   95   2HD   LYS  14          1HD       LYS  14  -3.062   5.987   4.477
   96   1HE   LYS  14          2HE       LYS  14  -5.417   6.145   3.044
   97   2HE   LYS  14          1HE       LYS  14  -6.000   5.464   4.550
   98   1HZ   LYS  14          1HZ       LYS  14  -4.528   7.315   5.556
   99   2HZ   LYS  14          2HZ       LYS  14  -4.708   8.023   4.095
  100   3HZ   LYS  14          3HZ       LYS  14  -6.022   7.673   4.999
  101    H    VAL  15           H        VAL  15  -0.328   2.955   0.941
  102    HA   VAL  15           HA       VAL  15  -1.274   2.939  -1.805
  103    HB   VAL  15           HB       VAL  15   1.112   2.646  -1.265
  104   1HG1  VAL  15          1HG1      VAL  15   1.949   0.657  -0.191
  105   2HG1  VAL  15          2HG1      VAL  15   0.756   1.418   0.888
  106   3HG1  VAL  15          3HG1      VAL  15   0.307  -0.020  -0.060
  107   1HG2  VAL  15          1HG2      VAL  15   1.388   1.350  -3.084
  108   2HG2  VAL  15          2HG2      VAL  15   0.506  -0.018  -2.362
  109   3HG2  VAL  15          3HG2      VAL  15  -0.391   1.310  -3.138
  110    H    ASN  16           H        ASN  16  -3.241   2.044  -2.163
  111    HA   ASN  16           HA       ASN  16  -3.683  -0.558  -0.998
  112   1HB   ASN  16          2HB       ASN  16  -6.016   0.050  -0.325
  113   2HB   ASN  16          1HB       ASN  16  -4.834   0.992   0.562
  114   1HD2  ASN  16          1HD2      ASN  16  -4.455   3.160   0.016
  115   2HD2  ASN  16          2HD2      ASN  16  -5.619   4.116  -0.841
  116    H    SER  17           H        SER  17  -6.300  -1.002  -1.948
  117    HA   SER  17           HA       SER  17  -5.949  -1.569  -4.556
  118   1HB   SER  17          2HB       SER  17  -7.771  -2.577  -3.391
  119   2HB   SER  17          1HB       SER  17  -8.453  -1.030  -2.929
  120    HG   SER  17           HG       SER  17  -9.410  -0.808  -4.867
  121    H    THR  18           H        THR  18  -7.190   1.459  -3.069
  122    HA   THR  18           HA       THR  18  -8.207   2.704  -5.313
  123    HB   THR  18           HB       THR  18  -6.669   3.909  -2.952
  124    HG1  THR  18           1HG      THR  18  -8.733   3.681  -1.951
  125   1HG2  THR  18          1HG2      THR  18  -9.047   5.338  -3.745
  126   2HG2  THR  18          2HG2      THR  18  -7.368   5.927  -3.756
  127   3HG2  THR  18          3HG2      THR  18  -8.037   5.121  -5.194
  128    H    ASP  19           H        ASP  19  -4.807   2.266  -4.296
  129    HA   ASP  19           HA       ASP  19  -4.008   3.875  -6.561
  130   1HB   ASP  19          2HB       ASP  19  -2.306   2.497  -4.432
  131   2HB   ASP  19          1HB       ASP  19  -1.724   3.654  -5.614
  132    H    ALA  20           H        ALA  20  -5.308   1.113  -6.705
  133    HA   ALA  20           HA       ALA  20  -3.320  -0.802  -7.266
  134   1HB   ALA  20          1HB       ALA  20  -6.262  -0.536  -7.982
  135   2HB   ALA  20          2HB       ALA  20  -5.287  -1.972  -8.378
  136   3HB   ALA  20          3HB       ALA  20  -5.538  -1.507  -6.678
  137    H    VAL  21           H        VAL  21  -4.775   1.864  -9.079
  138    HA   VAL  21           HA       VAL  21  -4.292   0.980 -11.662
  139    HB   VAL  21           HB       VAL  21  -4.445   3.682 -10.350
  140   1HG1  VAL  21          1HG1      VAL  21  -4.705   4.457 -12.851
  141   2HG1  VAL  21          2HG1      VAL  21  -3.090   4.309 -12.115
  142   3HG1  VAL  21          3HG1      VAL  21  -3.701   3.025 -13.186
  143   1HG2  VAL  21          1HG2      VAL  21  -6.509   2.335 -10.545
  144   2HG2  VAL  21          2HG2      VAL  21  -6.581   3.822 -11.521
  145   3HG2  VAL  21          3HG2      VAL  21  -6.278   2.255 -12.308
  146    H    ALA  22           H        ALA  22  -2.221   3.153  -9.603
  147    HA   ALA  22           HA       ALA  22  -0.048   3.045 -11.381
  148   1HB   ALA  22          1HB       ALA  22   0.462   4.765 -10.029
  149   2HB   ALA  22          2HB       ALA  22  -0.762   4.250  -8.845
  150   3HB   ALA  22          3HB       ALA  22   0.888   3.591  -8.762
  151    H    LEU  23           H        LEU  23  -1.320   0.818  -8.998
  152    HA   LEU  23           HA       LEU  23   1.107  -0.491  -8.393
  153   1HB   LEU  23          2HB       LEU  23  -0.934  -0.547  -7.010
  154   2HB   LEU  23          1HB       LEU  23  -1.743  -1.486  -8.250
  155    HG   LEU  23           HG       LEU  23   0.752  -2.755  -7.500
  156   1HD1  LEU  23          1HD1      LEU  23  -0.568  -3.354  -5.164
  157   2HD1  LEU  23          2HD1      LEU  23   0.830  -2.263  -5.321
  158   3HD1  LEU  23          3HD1      LEU  23  -0.822  -1.598  -5.313
  159   1HD2  LEU  23          1HD2      LEU  23  -1.480  -3.612  -8.595
  160   2HD2  LEU  23          2HD2      LEU  23  -0.501  -4.677  -7.559
  161   3HD2  LEU  23          3HD2      LEU  23  -1.955  -3.888  -6.903
  162    H    LYS  24           H        LYS  24  -1.659  -1.438 -10.560
  163    HA   LYS  24           HA       LYS  24  -0.565  -3.656 -11.661
  164   1HB   LYS  24          2HB       LYS  24  -2.867  -2.657 -12.015
  165   2HB   LYS  24          1HB       LYS  24  -2.154  -1.600 -13.217
  166   1HG   LYS  24          2HG       LYS  24  -1.379  -3.544 -14.531
  167   2HG   LYS  24          1HG       LYS  24  -1.947  -4.647 -13.294
  168   1HD   LYS  24          2HD       LYS  24  -4.297  -3.633 -13.655
  169   2HD   LYS  24          1HD       LYS  24  -3.639  -2.838 -15.071
  170   1HE   LYS  24          2HE       LYS  24  -3.089  -4.969 -16.117
  171   2HE   LYS  24          1HE       LYS  24  -3.431  -5.851 -14.643
  172   1HZ   LYS  24          1HZ       LYS  24  -5.683  -4.388 -15.231
  173   2HZ   LYS  24          2HZ       LYS  24  -5.211  -5.064 -16.640
  174   3HZ   LYS  24          3HZ       LYS  24  -5.497  -6.007 -15.337
  175    H    ARG  25           H        ARG  25   0.128  -0.220 -12.468
  176    HA   ARG  25           HA       ARG  25   1.730  -0.878 -14.665
  177   1HB   ARG  25          2HB       ARG  25   1.312   1.595 -12.960
  178   2HB   ARG  25          1HB       ARG  25   2.632   1.576 -14.113
  179   1HG   ARG  25          2HG       ARG  25   1.169   2.088 -15.765
  180   2HG   ARG  25          1HG       ARG  25   0.374   0.546 -15.518
  181   1HD   ARG  25          2HD       ARG  25  -1.335   1.465 -14.229
  182   2HD   ARG  25          1HD       ARG  25  -0.310   2.716 -13.558
  183    HE   ARG  25           HE       ARG  25  -0.413   3.777 -15.905
  184   1HH1  ARG  25          2HH2      ARG  25  -2.982   1.723 -14.654
  185   2HH1  ARG  25          1HH2      ARG  25  -4.213   2.450 -15.631
  186   1HH2  ARG  25          2HH1      ARG  25  -2.038   4.736 -17.194
  187   2HH2  ARG  25          1HH1      ARG  25  -3.673   4.175 -17.086
  188    H    TYR  26           H        TYR  26   2.268  -0.472 -11.157
  189    HA   TYR  26           HA       TYR  26   5.114  -0.383 -11.356
  190   1HB   TYR  26          2HB       TYR  26   3.451   0.478  -9.514
  191   2HB   TYR  26          1HB       TYR  26   3.258  -1.197  -9.039
  192    HD1  TYR  26           1HD      TYR  26   5.122   1.774  -8.520
  193    HD2  TYR  26           2HD      TYR  26   5.473  -2.489  -8.442
  194    HE1  TYR  26           1HE      TYR  26   7.156   1.962  -7.006
  195    HE2  TYR  26           2HE      TYR  26   7.506  -2.287  -6.927
  196    HH   TYR  26           HH       TYR  26   8.577  -0.872  -5.537
  197    H    VAL  27           H        VAL  27   2.629  -2.904 -10.640
  198    HA   VAL  27           HA       VAL  27   4.424  -4.909  -9.915
  199    HB   VAL  27           HB       VAL  27   1.807  -5.353 -11.335
  200   1HG1  VAL  27          1HG1      VAL  27   1.629  -7.284  -9.886
  201   2HG1  VAL  27          2HG1      VAL  27   3.207  -7.315 -10.709
  202   3HG1  VAL  27          3HG1      VAL  27   3.102  -6.808  -9.007
  203   1HG2  VAL  27          1HG2      VAL  27   1.272  -5.227  -8.582
  204   2HG2  VAL  27          2HG2      VAL  27   2.253  -3.785  -8.935
  205   3HG2  VAL  27          3HG2      VAL  27   0.747  -4.080  -9.837
  206    H    LEU  28           H        LEU  28   3.068  -3.917 -13.113
  207    HA   LEU  28           HA       LEU  28   4.221  -6.012 -14.561
  208   1HB   LEU  28          2HB       LEU  28   2.532  -3.867 -15.042
  209   2HB   LEU  28          1HB       LEU  28   3.948  -3.494 -16.006
  210    HG   LEU  28           HG       LEU  28   3.265  -6.262 -16.392
  211   1HD1  LEU  28          1HD1      LEU  28   1.010  -5.603 -15.666
  212   2HD1  LEU  28          2HD1      LEU  28   0.982  -4.340 -16.918
  213   3HD1  LEU  28          3HD1      LEU  28   1.057  -6.055 -17.386
  214   1HD2  LEU  28          1HD2      LEU  28   4.405  -5.441 -18.162
  215   2HD2  LEU  28          2HD2      LEU  28   2.765  -5.107 -18.768
  216   3HD2  LEU  28          3HD2      LEU  28   3.712  -3.810 -18.001
  217    H    ARG  29           H        ARG  29   5.411  -2.743 -13.624
  218    HA   ARG  29           HA       ARG  29   8.024  -3.578 -13.562
  219   1HB   ARG  29          2HB       ARG  29   8.735  -1.992 -15.605
  220   2HB   ARG  29          1HB       ARG  29   8.354  -3.681 -15.871
  221   1HG   ARG  29          2HG       ARG  29   7.170  -2.274 -17.516
  222   2HG   ARG  29          1HG       ARG  29   6.016  -3.082 -16.474
  223   1HD   ARG  29          2HD       ARG  29   5.824  -1.016 -15.075
  224   2HD   ARG  29          1HD       ARG  29   6.990  -0.207 -16.101
  225    HE   ARG  29           HE       ARG  29   4.187  -0.814 -16.770
  226   1HH1  ARG  29          2HH2      ARG  29   7.348   0.127 -17.997
  227   2HH1  ARG  29          1HH2      ARG  29   6.718   0.820 -19.454
  228   1HH2  ARG  29          2HH1      ARG  29   3.356   0.099 -18.693
  229   2HH2  ARG  29          1HH1      ARG  29   4.432   0.804 -19.853
  230    H    SER  30           H        SER  30   9.527  -1.337 -13.838
  231    HA   SER  30           HA       SER  30   8.086   0.552 -12.174
  232   1HB   SER  30          2HB       SER  30  11.058   0.078 -12.646
  233   2HB   SER  30          1HB       SER  30  10.451   1.431 -11.712
  234    HG   SER  30           HG       SER  30   9.220  -0.799 -10.784
  235    H    GLY  31           H        GLY  31   6.957   1.800 -13.740
  236   1HA   GLY  31          2HA       GLY  31   8.692   3.284 -15.624
  237   2HA   GLY  31          1HA       GLY  31   7.078   2.728 -16.024
  238    H    ILE  32           H        ILE  32   5.795   3.275 -13.468
  239    HA   ILE  32           HA       ILE  32   5.452   6.113 -13.820
  240    HB   ILE  32           HB       ILE  32   3.426   5.831 -12.904
  241   1HG1  ILE  32          2HG1      ILE  32   4.800   4.028 -10.938
  242   2HG1  ILE  32          1HG1      ILE  32   3.886   5.497 -10.655
  243   1HG2  ILE  32          1HG2      ILE  32   3.822   4.027 -14.670
  244   2HG2  ILE  32          2HG2      ILE  32   3.894   2.879 -13.312
  245   3HG2  ILE  32          3HG2      ILE  32   2.416   3.829 -13.597
  246   1HD1  ILE  32          1HD1      ILE  32   2.774   2.774 -11.460
  247   2HD1  ILE  32          2HD1      ILE  32   2.518   3.635  -9.923
  248   3HD1  ILE  32          3HD1      ILE  32   1.796   4.261 -11.425
  249    H    SER  33           H        SER  33   4.987   7.259 -11.474
  250    HA   SER  33           HA       SER  33   7.414   6.707  -9.951
  251   1HB   SER  33          2HB       SER  33   6.370   9.201 -11.132
  252   2HB   SER  33          1HB       SER  33   6.736   9.374  -9.426
  253    HG   SER  33           HG       SER  33   8.721   7.976 -10.805
  254    H    ILE  34           H        ILE  34   7.000   6.044  -7.875
  255    HA   ILE  34           HA       ILE  34   4.684   7.179  -6.522
  256    HB   ILE  34           HB       ILE  34   3.826   5.076  -5.832
  257   1HG1  ILE  34          2HG1      ILE  34   5.634   3.422  -7.514
  258   2HG1  ILE  34          1HG1      ILE  34   6.330   4.077  -6.046
  259   1HG2  ILE  34          1HG2      ILE  34   3.147   5.979  -8.062
  260   2HG2  ILE  34          2HG2      ILE  34   4.328   4.878  -8.812
  261   3HG2  ILE  34          3HG2      ILE  34   2.956   4.217  -7.890
  262   1HD1  ILE  34          1HD1      ILE  34   3.660   2.607  -6.091
  263   2HD1  ILE  34          2HD1      ILE  34   5.217   1.801  -5.784
  264   3HD1  ILE  34          3HD1      ILE  34   4.626   3.051  -4.663
  265    H    ASN  35           H        ASN  35   4.805   6.819  -4.129
  266    HA   ASN  35           HA       ASN  35   7.482   7.254  -3.325
  267   1HB   ASN  35          2HB       ASN  35   5.193   6.739  -1.394
  268   2HB   ASN  35          1HB       ASN  35   6.544   7.839  -1.208
  269   1HD2  ASN  35          1HD2      ASN  35   3.508   7.238  -2.860
  270   2HD2  ASN  35          2HD2      ASN  35   3.151   8.870  -3.314
  271    H    THR  36           H        THR  36   7.924   4.872  -4.284
  272    HA   THR  36           HA       THR  36   7.048   2.651  -2.773
  273    HB   THR  36           HB       THR  36   7.843   2.588  -5.154
  274    HG1  THR  36           1HG      THR  36   9.524   1.223  -3.169
  275   1HG2  THR  36          1HG2      THR  36  10.615   2.326  -4.875
  276   2HG2  THR  36          2HG2      THR  36   9.791   3.717  -5.618
  277   3HG2  THR  36          3HG2      THR  36  10.255   3.771  -3.900
  278    H    ASP  37           H        ASP  37   9.128   5.199  -1.941
  279    HA   ASP  37           HA       ASP  37  11.245   4.151  -0.744
  280   1HB   ASP  37          2HB       ASP  37   9.424   6.423  -0.183
  281   2HB   ASP  37          1HB       ASP  37  10.311   5.893   1.233
  282    H    ASN  38           H        ASN  38   8.149   4.795   1.084
  283    HA   ASN  38           HA       ASN  38   8.801   2.460   2.702
  284   1HB   ASN  38          2HB       ASN  38   6.927   3.821   4.192
  285   2HB   ASN  38          1HB       ASN  38   8.655   4.046   4.373
  286   1HD2  ASN  38          1HD2      ASN  38   5.823   5.604   4.039
  287   2HD2  ASN  38          2HD2      ASN  38   6.320   7.098   3.319
  288    H    ALA  39           H        ALA  39   7.520   2.049   0.225
  289    HA   ALA  39           HA       ALA  39   4.659   1.970   0.779
  290   1HB   ALA  39          1HB       ALA  39   5.639   2.870  -1.389
  291   2HB   ALA  39          2HB       ALA  39   6.144   1.204  -1.760
  292   3HB   ALA  39          3HB       ALA  39   4.417   1.590  -1.579
  293    H    ASP  40           H        ASP  40   7.536  -0.104   0.253
  294    HA   ASP  40           HA       ASP  40   5.848  -2.432   0.549
  295   1HB   ASP  40          2HB       ASP  40   7.425  -2.755  -1.187
  296   2HB   ASP  40          1HB       ASP  40   8.701  -1.923  -0.319
  297    H    LEU  41           H        LEU  41   6.297  -4.013   2.282
  298    HA   LEU  41           HA       LEU  41   8.234  -3.248   4.291
  299   1HB   LEU  41          2HB       LEU  41   5.378  -3.648   5.140
  300   2HB   LEU  41          1HB       LEU  41   6.732  -3.061   6.086
  301    HG   LEU  41           HG       LEU  41   6.755  -1.042   4.484
  302   1HD1  LEU  41          1HD1      LEU  41   4.780  -2.532   3.185
  303   2HD1  LEU  41          2HD1      LEU  41   3.906  -1.207   3.989
  304   3HD1  LEU  41          3HD1      LEU  41   5.242  -0.842   2.872
  305   1HD2  LEU  41          1HD2      LEU  41   6.143  -0.615   6.691
  306   2HD2  LEU  41          2HD2      LEU  41   4.755  -0.018   5.752
  307   3HD2  LEU  41          3HD2      LEU  41   4.661  -1.593   6.576
  308    H    ASN  42           H        ASN  42   7.537  -5.415   2.201
  309    HA   ASN  42           HA       ASN  42   8.117  -7.566   4.003
  310   1HB   ASN  42          2HB       ASN  42   5.969  -8.182   1.981
  311   2HB   ASN  42          1HB       ASN  42   6.247  -8.910   3.550
  312   1HD2  ASN  42          1HD2      ASN  42   4.558  -8.604   4.778
  313   2HD2  ASN  42          2HD2      ASN  42   3.674  -7.131   5.003
  314    H    GLU  43           H        GLU  43   9.230  -5.863   1.662
  315    HA   GLU  43           HA       GLU  43  10.415  -6.106  -0.140
  316   1HB   GLU  43          2HB       GLU  43  10.859  -8.554   1.381
  317   2HB   GLU  43          1HB       GLU  43  11.024  -8.875  -0.334
  318   1HG   GLU  43          2HG       GLU  43  12.563  -6.843  -0.487
  319   2HG   GLU  43          1HG       GLU  43  12.496  -6.727   1.260
  320    H    ASP  44           H        ASP  44   7.762  -5.959  -0.728
  321    HA   ASP  44           HA       ASP  44   7.428  -8.030  -2.755
  322   1HB   ASP  44          2HB       ASP  44   5.129  -6.342  -1.755
  323   2HB   ASP  44          1HB       ASP  44   5.089  -7.955  -2.439
  324    H    GLY  45           H        GLY  45   7.221  -4.567  -1.817
  325   1HA   GLY  45          2HA       GLY  45   8.068  -3.082  -3.630
  326   2HA   GLY  45          1HA       GLY  45   6.875  -3.841  -4.665
  327    H    ARG  46           H        ARG  46   4.553  -3.991  -3.306
  328    HA   ARG  46           HA       ARG  46   4.154  -1.465  -1.982
  329   1HB   ARG  46          2HB       ARG  46   2.758  -2.307  -4.560
  330   2HB   ARG  46          1HB       ARG  46   2.038  -1.136  -3.474
  331   1HG   ARG  46          2HG       ARG  46   3.289   0.471  -4.469
  332   2HG   ARG  46          1HG       ARG  46   4.716  -0.269  -3.772
  333   1HD   ARG  46          2HD       ARG  46   3.519  -0.748  -6.529
  334   2HD   ARG  46          1HD       ARG  46   5.130  -0.178  -6.138
  335    HE   ARG  46           HE       ARG  46   5.754  -2.415  -5.470
  336   1HH1  ARG  46          2HH2      ARG  46   2.469  -2.201  -6.713
  337   2HH1  ARG  46          1HH2      ARG  46   2.327  -3.904  -6.992
  338   1HH2  ARG  46          2HH1      ARG  46   5.567  -4.663  -5.837
  339   2HH2  ARG  46          1HH1      ARG  46   4.101  -5.314  -6.491
  340    H    VAL  47           H        VAL  47   1.573  -3.392  -3.537
  341    HA   VAL  47           HA       VAL  47   1.097  -4.879  -1.092
  342    HB   VAL  47           HB       VAL  47  -1.229  -4.117  -0.959
  343   1HG1  VAL  47          1HG1      VAL  47   0.757  -1.825  -0.779
  344   2HG1  VAL  47          2HG1      VAL  47  -0.796  -1.955   0.080
  345   3HG1  VAL  47          3HG1      VAL  47   0.525  -3.088   0.453
  346   1HG2  VAL  47          1HG2      VAL  47  -1.854  -3.355  -3.068
  347   2HG2  VAL  47          2HG2      VAL  47  -1.676  -1.840  -2.150
  348   3HG2  VAL  47          3HG2      VAL  47  -0.388  -2.364  -3.261
  349    H    ASN  48           H        ASN  48   1.651  -6.711  -2.386
  350    HA   ASN  48           HA       ASN  48   0.438  -7.143  -4.865
  351   1HB   ASN  48          2HB       ASN  48   1.911  -8.897  -2.860
  352   2HB   ASN  48          1HB       ASN  48   1.172  -9.628  -4.272
  353   1HD2  ASN  48          1HD2      ASN  48   2.582  -6.398  -4.014
  354   2HD2  ASN  48          2HD2      ASN  48   3.888  -6.624  -5.130
  355    H    SER  49           H        SER  49  -0.363  -7.867  -1.458
  356    HA   SER  49           HA       SER  49  -3.003  -8.101  -1.773
  357   1HB   SER  49          2HB       SER  49  -1.751 -10.438  -2.896
  358   2HB   SER  49          1HB       SER  49  -2.591 -10.936  -1.441
  359    HG   SER  49           HG       SER  49  -3.649  -9.744  -3.825
  360    H    THR  50           H        THR  50  -0.022  -9.291  -0.252
  361    HA   THR  50           HA       THR  50  -1.254 -10.073   2.202
  362    HB   THR  50           HB       THR  50   1.599  -9.552   1.241
  363    HG1  THR  50           1HG      THR  50   0.673 -11.516   0.513
  364   1HG2  THR  50          1HG2      THR  50   2.047  -9.313   3.520
  365   2HG2  THR  50          2HG2      THR  50   0.527 -10.108   4.001
  366   3HG2  THR  50          3HG2      THR  50   1.913 -11.087   3.462
  367    H    ASP  51           H        ASP  51   0.586  -7.153   1.111
  368    HA   ASP  51           HA       ASP  51   0.214  -5.916   3.621
  369   1HB   ASP  51          2HB       ASP  51   1.122  -4.937   0.883
  370   2HB   ASP  51          1HB       ASP  51   0.973  -3.839   2.239
  371    H    LEU  52           H        LEU  52  -1.254  -5.739   0.318
  372    HA   LEU  52           HA       LEU  52  -2.808  -3.568   0.425
  373   1HB   LEU  52          2HB       LEU  52  -3.333  -4.497  -1.501
  374   2HB   LEU  52          1HB       LEU  52  -2.806  -6.077  -0.954
  375    HG   LEU  52           HG       LEU  52  -5.041  -6.456   0.060
  376   1HD1  LEU  52          1HD1      LEU  52  -6.666  -4.919   0.194
  377   2HD1  LEU  52          2HD1      LEU  52  -5.351  -3.744  -0.050
  378   3HD1  LEU  52          3HD1      LEU  52  -6.338  -4.276  -1.433
  379   1HD2  LEU  52          1HD2      LEU  52  -4.273  -6.754  -2.534
  380   2HD2  LEU  52          2HD2      LEU  52  -5.805  -7.351  -1.852
  381   3HD2  LEU  52          3HD2      LEU  52  -5.763  -5.799  -2.722
  382    H    GLY  53           H        GLY  53  -3.602  -6.760   1.948
  383   1HA   GLY  53          2HA       GLY  53  -6.078  -6.039   3.006
  384   2HA   GLY  53          1HA       GLY  53  -5.012  -7.289   3.613
  385    H    ILE  54           H        ILE  54  -2.914  -6.291   4.792
  386    HA   ILE  54           HA       ILE  54  -3.747  -5.180   7.132
  387    HB   ILE  54           HB       ILE  54  -1.244  -5.735   5.793
  388   1HG1  ILE  54          2HG1      ILE  54  -2.336  -6.950   7.722
  389   2HG1  ILE  54          1HG1      ILE  54  -0.627  -6.603   7.897
  390   1HG2  ILE  54          1HG2      ILE  54  -0.616  -3.489   5.888
  391   2HG2  ILE  54          2HG2      ILE  54  -1.423  -3.225   7.451
  392   3HG2  ILE  54          3HG2      ILE  54   0.072  -4.188   7.372
  393   1HD1  ILE  54          1HD1      ILE  54  -1.680  -6.033   9.995
  394   2HD1  ILE  54          2HD1      ILE  54  -1.271  -4.498   9.192
  395   3HD1  ILE  54          3HD1      ILE  54  -2.948  -5.094   9.171
  396    H    LEU  55           H        LEU  55  -3.010  -3.583   4.040
  397    HA   LEU  55           HA       LEU  55  -2.811  -0.976   5.079
  398   1HB   LEU  55          2HB       LEU  55  -3.089  -2.265   2.430
  399   2HB   LEU  55          1HB       LEU  55  -3.638  -0.604   2.533
  400    HG   LEU  55           HG       LEU  55  -1.224  -1.037   1.799
  401   1HD1  LEU  55          1HD1      LEU  55  -0.429   0.902   3.418
  402   2HD1  LEU  55          2HD1      LEU  55  -1.630   1.185   2.135
  403   3HD1  LEU  55          3HD1      LEU  55  -2.163   0.955   3.817
  404   1HD2  LEU  55          1HD2      LEU  55  -0.025  -2.361   3.134
  405   2HD2  LEU  55          2HD2      LEU  55   0.112  -0.954   4.216
  406   3HD2  LEU  55          3HD2      LEU  55  -1.159  -2.167   4.493
  407    H    LYS  56           H        LYS  56  -5.547  -2.592   3.303
  408    HA   LYS  56           HA       LYS  56  -7.361  -0.545   3.957
  409   1HB   LYS  56          2HB       LYS  56  -8.976  -1.873   2.875
  410   2HB   LYS  56          1HB       LYS  56  -7.477  -2.179   2.023
  411   1HG   LYS  56          2HG       LYS  56  -7.658  -4.392   2.470
  412   2HG   LYS  56          1HG       LYS  56  -7.602  -4.062   4.189
  413   1HD   LYS  56          2HD       LYS  56 -10.211  -3.326   3.539
  414   2HD   LYS  56          1HD       LYS  56  -9.934  -4.681   2.462
  415   1HE   LYS  56          2HE       LYS  56  -8.876  -5.701   4.779
  416   2HE   LYS  56          1HE       LYS  56 -10.089  -4.629   5.452
  417   1HZ   LYS  56          1HZ       LYS  56 -10.720  -7.002   4.765
  418   2HZ   LYS  56          2HZ       LYS  56 -11.760  -5.785   4.444
  419   3HZ   LYS  56          3HZ       LYS  56 -10.821  -6.391   3.254
  420    H    ARG  57           H        ARG  57  -5.803  -2.743   5.950
  421    HA   ARG  57           HA       ARG  57  -8.101  -3.204   7.613
  422   1HB   ARG  57          2HB       ARG  57  -5.615  -4.542   7.149
  423   2HB   ARG  57          1HB       ARG  57  -5.560  -4.002   8.815
  424   1HG   ARG  57          2HG       ARG  57  -8.116  -4.975   8.744
  425   2HG   ARG  57          1HG       ARG  57  -7.385  -5.997   7.522
  426   1HD   ARG  57          2HD       ARG  57  -5.542  -6.564   9.183
  427   2HD   ARG  57          1HD       ARG  57  -6.412  -5.650  10.399
  428    HE   ARG  57           HE       ARG  57  -8.150  -7.599   9.141
  429   1HH1  ARG  57          2HH2      ARG  57  -5.584  -7.271  11.526
  430   2HH1  ARG  57          1HH2      ARG  57  -6.063  -8.675  12.421
  431   1HH2  ARG  57          2HH1      ARG  57  -8.782  -9.451  10.320
  432   2HH2  ARG  57          1HH1      ARG  57  -7.894  -9.923  11.731
  433    H    TYR  58           H        TYR  58  -4.881  -1.544   7.693
  434    HA   TYR  58           HA       TYR  58  -5.540  -0.336  10.250
  435   1HB   TYR  58          2HB       TYR  58  -3.196   0.006  10.282
  436   2HB   TYR  58          1HB       TYR  58  -3.249  -1.314   9.131
  437    HD1  TYR  58           1HD      TYR  58  -3.484   2.435   9.180
  438    HD2  TYR  58           2HD      TYR  58  -2.124  -1.056   7.115
  439    HE1  TYR  58           1HE      TYR  58  -2.347   3.898   7.439
  440    HE2  TYR  58           2HE      TYR  58  -0.992   0.419   5.381
  441    HH   TYR  58           HH       TYR  58  -1.149   3.962   5.651
  442    H    ILE  59           H        ILE  59  -5.279   0.474   6.778
  443    HA   ILE  59           HA       ILE  59  -5.331   3.273   7.162
  444    HB   ILE  59           HB       ILE  59  -5.509   3.420   4.837
  445   1HG1  ILE  59          2HG1      ILE  59  -6.007   0.880   3.791
  446   2HG1  ILE  59          1HG1      ILE  59  -7.165   1.034   5.097
  447   1HG2  ILE  59          1HG2      ILE  59  -4.062   1.153   4.234
  448   2HG2  ILE  59          2HG2      ILE  59  -3.402   2.685   4.853
  449   3HG2  ILE  59          3HG2      ILE  59  -3.777   1.358   5.979
  450   1HD1  ILE  59          1HD1      ILE  59  -7.755   1.968   2.690
  451   2HD1  ILE  59          2HD1      ILE  59  -8.226   2.893   4.136
  452   3HD1  ILE  59          3HD1      ILE  59  -6.780   3.365   3.210
  453    H    LEU  60           H        LEU  60  -7.631   0.866   7.788
  454    HA   LEU  60           HA       LEU  60  -9.982   1.982   6.840
  455   1HB   LEU  60          2HB       LEU  60  -9.426  -0.289   7.991
  456   2HB   LEU  60          1HB       LEU  60  -9.809   0.562   9.475
  457    HG   LEU  60           HG       LEU  60 -12.004   1.207   8.060
  458   1HD1  LEU  60          1HD1      LEU  60 -12.644  -1.102   6.974
  459   2HD1  LEU  60          2HD1      LEU  60 -11.754   0.132   6.049
  460   3HD1  LEU  60          3HD1      LEU  60 -10.883  -1.247   6.762
  461   1HD2  LEU  60          1HD2      LEU  60 -11.327  -1.007   9.922
  462   2HD2  LEU  60          2HD2      LEU  60 -12.508   0.315  10.079
  463   3HD2  LEU  60          3HD2      LEU  60 -12.893  -1.108   9.081
  464    H    LYS  61           H        LYS  61  -7.968   2.759   9.695
  465    HA   LYS  61           HA       LYS  61  -8.931   5.357   9.850
  466   1HB   LYS  61          2HB       LYS  61 -10.365   5.346  11.767
  467   2HB   LYS  61          1HB       LYS  61 -11.036   4.252  10.575
  468   1HG   LYS  61          2HG       LYS  61  -9.233   3.299  12.844
  469   2HG   LYS  61          1HG       LYS  61 -10.977   3.389  12.999
  470   1HD   LYS  61          2HD       LYS  61 -10.890   2.003  10.686
  471   2HD   LYS  61          1HD       LYS  61  -9.312   1.544  11.294
  472   1HE   LYS  61          2HE       LYS  61 -11.255   1.362  13.453
  473   2HE   LYS  61          1HE       LYS  61 -11.857   0.482  12.062
  474   1HZ   LYS  61          1HZ       LYS  61  -9.742  -0.672  11.964
  475   2HZ   LYS  61          2HZ       LYS  61  -9.205   0.131  13.281
  476   3HZ   LYS  61          3HZ       LYS  61 -10.465  -0.900  13.411
  477    H    GLU  62           H        GLU  62  -7.551   2.475  11.457
  478    HA   GLU  62           HA       GLU  62  -6.246   3.736  13.499
  479   1HB   GLU  62          2HB       GLU  62  -6.053   1.168  12.067
  480   2HB   GLU  62          1HB       GLU  62  -4.507   1.688  12.705
  481   1HG   GLU  62          2HG       GLU  62  -5.398   1.868  14.962
  482   2HG   GLU  62          1HG       GLU  62  -7.046   1.676  14.394
  483    H    ILE  63           H        ILE  63  -5.786   4.092  10.104
  484    HA   ILE  63           HA       ILE  63  -3.223   4.333   9.549
  485    HB   ILE  63           HB       ILE  63  -4.620   4.980   7.867
  486   1HG1  ILE  63          2HG1      ILE  63  -4.226   7.498   7.475
  487   2HG1  ILE  63          1HG1      ILE  63  -3.337   7.474   8.986
  488   1HG2  ILE  63          1HG2      ILE  63  -6.677   5.373   8.835
  489   2HG2  ILE  63          2HG2      ILE  63  -6.042   6.608   9.949
  490   3HG2  ILE  63          3HG2      ILE  63  -6.249   6.990   8.223
  491   1HD1  ILE  63          1HD1      ILE  63  -2.764   5.658   6.597
  492   2HD1  ILE  63          2HD1      ILE  63  -1.839   7.116   7.029
  493   3HD1  ILE  63          3HD1      ILE  63  -1.837   5.708   8.117
  494    H    ASP  64           H        ASP  64  -1.679   4.738  11.095
  495    HA   ASP  64           HA       ASP  64  -1.034   7.328  11.643
  496   1HB   ASP  64          2HB       ASP  64  -3.190   6.851  13.175
  497   2HB   ASP  64          1HB       ASP  64  -2.007   6.087  14.219
  498    H    THR  65           H        THR  65  -1.170   3.906  12.697
  499    HA   THR  65           HA       THR  65   1.715   4.030  13.250
  500    HB   THR  65           HB       THR  65  -0.336   3.714  15.183
  501    HG1  THR  65           1HG      THR  65   2.064   4.320  15.206
  502   1HG2  THR  65          1HG2      THR  65   1.071   1.081  14.500
  503   2HG2  THR  65          2HG2      THR  65   0.310   1.417  16.073
  504   3HG2  THR  65          3HG2      THR  65  -0.685   1.352  14.599
  505    H    LEU  66           H        LEU  66  -1.167   2.075  12.349
  506    HA   LEU  66           HA       LEU  66  -1.371   0.361  10.972
  507   1HB   LEU  66          2HB       LEU  66  -0.242   1.498   9.283
  508   2HB   LEU  66          1HB       LEU  66   1.310   1.375  10.089
  509    HG   LEU  66           HG       LEU  66  -0.038  -1.146   9.189
  510   1HD1  LEU  66          1HD1      LEU  66   0.429   0.994   7.408
  511   2HD1  LEU  66          2HD1      LEU  66   1.719  -0.198   7.123
  512   3HD1  LEU  66          3HD1      LEU  66   0.013  -0.692   7.020
  513   1HD2  LEU  66          1HD2      LEU  66   2.545  -0.348  10.189
  514   2HD2  LEU  66          2HD2      LEU  66   1.881  -1.978   9.924
  515   3HD2  LEU  66          3HD2      LEU  66   2.710  -1.127   8.598
  516    HA   PRO  67           HA       PRO  67   0.508  -2.415  13.877
  517   1HB   PRO  67          2HB       PRO  67  -1.685  -4.004  14.242
  518   2HB   PRO  67          1HB       PRO  67  -1.348  -2.595  15.227
  519   1HG   PRO  67          2HG       PRO  67  -3.349  -2.918  13.074
  520   2HG   PRO  67          1HG       PRO  67  -3.278  -1.701  14.335
  521   1HD   PRO  67          2HD       PRO  67  -2.559  -1.360  11.578
  522   2HD   PRO  67          1HD       PRO  67  -2.380  -0.181  12.862
  523    H    TYR  68           H        TYR  68   1.682  -2.685  11.669
  524    HA   TYR  68           HA       TYR  68   1.029  -4.465   9.803
  525   1HB   TYR  68          2HB       TYR  68   3.606  -5.121  10.109
  526   2HB   TYR  68          1HB       TYR  68   3.206  -3.460   9.721
  527    HD1  TYR  68           1HD      TYR  68   3.586  -1.675  11.296
  528    HD2  TYR  68           2HD      TYR  68   4.241  -5.746  12.440
  529    HE1  TYR  68           1HE      TYR  68   4.802  -0.899  13.389
  530    HE2  TYR  68           2HE      TYR  68   5.455  -4.956  14.529
  531    HH   TYR  68           HH       TYR  68   5.204  -2.509  15.939
  532    H    LYS  69           H        LYS  69   0.201  -6.489   9.791
  533    HA   LYS  69           HA       LYS  69   1.356  -8.434  11.609
  534   1HB   LYS  69          2HB       LYS  69  -0.873  -7.197  12.481
  535   2HB   LYS  69          1HB       LYS  69  -1.620  -8.440  11.498
  536   1HG   LYS  69          2HG       LYS  69   0.004 -10.099  12.715
  537   2HG   LYS  69          1HG       LYS  69   0.255  -8.800  13.864
  538   1HD   LYS  69          2HD       LYS  69  -2.026  -8.801  14.561
  539   2HD   LYS  69          1HD       LYS  69  -2.564  -9.651  13.127
  540   1HE   LYS  69          2HE       LYS  69  -1.732 -11.742  13.887
  541   2HE   LYS  69          1HE       LYS  69  -0.608 -11.002  15.009
  542   1HZ   LYS  69          1HZ       LYS  69  -3.373 -10.396  15.484
  543   2HZ   LYS  69          2HZ       LYS  69  -2.966 -11.961  15.707
  544   3HZ   LYS  69          3HZ       LYS  69  -2.195 -10.790  16.544
  545    H    ASN  70           H        ASN  70   0.909 -10.667  10.918
  546    HA   ASN  70           HA       ASN  70   0.781 -10.737   8.067
  547   1HB   ASN  70          2HB       ASN  70   2.102 -12.238  10.024
  548   2HB   ASN  70          1HB       ASN  70   0.818 -13.326   9.538
  549   1HD2  ASN  70          1HD2      ASN  70   3.842 -13.064   9.097
  550   2HD2  ASN  70          2HD2      ASN  70   4.069 -13.348   7.403
  551    H    GLY  71           H        GLY  71  -0.610 -12.634   7.059
  552   1HA   GLY  71          2HA       GLY  71  -2.729 -13.870   8.260
  553   2HA   GLY  71          1HA       GLY  71  -3.332 -12.269   7.882