*HEADER    TOXIN                                   01-MAR-99   1CB9              
*TITLE     NMR STRUCTURE WITH TIGHTLY BOUND WATER MOLECULES OF                   
*TITLE    2 CYTOTOXIN II (CARDIOTOXIN) FROM NAJA NAJA OXIANA IN AQUEOUS          
*TITLE    3 SOLUTION (MAJOR FORM).                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOTOXIN 2;                                               
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NAJA OXIANA;                                    
*SOURCE   3 ORGANISM_COMMON: CENTRAL ASIAN COBRA;                                
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    CYTOXIN (CARDIOTOXIN), MEMBRANE PERTURBATION, CIS/TRANS               
*KEYWDS   2 ISOMERIZATION, BOUND WATER                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.V.DEMENTIEVA, E.V.BOCHAROV, A.S.ARSENIEV                            
*REVDAT   2   12-MAY-00 1CB9    1       JRNL   REMARK ATOM                       
*REVDAT   1   29-JUN-99 1CB9    0                                                

  1 LEU  
         QB     14 CYSS HA      6.15
         QB     14 CYSS HB2     5.71
         QB     14 CYSS HB3     9.10
         QB     19 ASN  HA      6.44
  2 LYS+ 
         HN      2 LYS+ QB      3.68
         HN     57 ASP- HA      4.33
         HA      3 CYSS HN      2.57
         HA     13 THR  HA      2.93
         HA     13 THR  QG2     6.89
         HA     14 CYSS HN      3.43
         QB      3 CYSS HN      4.74
         QB     11 SER  HB3     8.13
         QB     13 THR  HA      7.66
         QB     57 ASP- HB3     7.66
         QB     58 LYS+ HN      6.74
  3 CYSS 
         HN      3 CYSS HB2     3.18
         HN     12 LYS+ HN      3.30
         HN     13 THR  HA      4.20
         HA      3 CYSS HB2     2.93
         HA      4 LYS+ HN      2.93
         HA      4 LYS+ HA      4.33
         HA      4 LYS+ QG      8.29
         HA     21 CYSS HB2     6.15
         HA     21 CYSS HB3     5.57
         HA     57 ASP- HA      5.01
         HA     58 LYS+ HN      3.30
         HA     58 LYS+ HA      3.55
         HA     60 ASN  HD22    5.86
         HB2     4 LYS+ HN      4.74
         HB2    12 LYS+ QB      6.44
         HB2    21 CYSS HB2     6.74
         HB2    36 ARG+ HB3     6.59
         HB2    60 ASN  HD22    4.87
         HB3    21 CYSS HA      5.86
         HB3    36 ARG+ HB3     5.15
         HB3    37 GLY  HA1     6.59
         HB3    38 CYSS HA      5.43
         HB3    60 ASN  HD22    3.43
  4 LYS+ 
         HN      4 LYS+ HB2     2.81
         HN      4 LYS+ HB3     3.81
         HN     21 CYSS HB3     7.50
         HN     58 LYS+ HA      4.07
         HN     60 ASN  HD21    5.01
         HN     60 ASN  HD22    3.55
         HA      4 LYS+ HB3     2.69
         HA      5 LYS+ HN      2.57
         HA      5 LYS+ HG2     4.07
         HA     11 SER  HA      2.69
         HA     11 SER  HB2     3.94
         HA     11 SER  HB3     3.94
         HB2    11 SER  HA      5.86
         HB3     5 LYS+ HN      3.30
         HB3     8 PRO  HA      3.43
         QG     11 SER  HA      8.61
         QG     58 LYS+ HA      5.43
  5 LYS+ 
         HN      5 LYS+ HB2     2.81
         HN      5 LYS+ HB3     3.81
         HN      5 LYS+ HG3     5.86
         HN     11 SER  HA      3.18
         HA      5 LYS+ HB3     2.81
         HA      5 LYS+ HG2     3.43
         HA      6 LEU  HN      3.18
         HB2    10 PHE  HB3     3.68
         HB3     5 LYS+ HG2     2.69
         HB3     6 LEU  HN      2.69
         HG3    10 PHE  QD     10.80
         HG3    11 SER  HA      3.18
         QD      6 LEU  HN      5.43
         QD     11 SER  HA      7.19
  6 LEU  
         HN      6 LEU  HB2     3.30
         HN      7 VAL  HN      3.18
         HA      6 LEU  HB3     2.93
         HA     35 LYS+ HG3     5.71
         HA     36 ARG+ HB2     4.47
         HA     36 ARG+ QG      6.31
         HB2     7 VAL  HN      3.05
         HB2    35 LYS+ HA      5.43
  7 VAL  
         HN      7 VAL  HB      2.93
         HA      8 PRO  HG2     5.43
         HA      8 PRO  HD2     2.93
         HA      8 PRO  HD3     3.43
         HA      9 LEU  QD2     9.10
         HB     10 PHE  HB2     5.71
         HB     10 PHE  QD      6.59
         HB     10 PHE  QE     10.63
         QG1     8 PRO  HA      6.15
         QG1     8 PRO  HD2     3.81
         QG1     8 PRO  HD3     5.57
         QG1     9 LEU  HN      3.94
         QG1    10 PHE  HN      9.10
         QG1    10 PHE  QD     11.15
         QG1    10 PHE  HZ      9.10
  8 PRO  
         HA      9 LEU  QB      7.50
         HA     10 PHE  HN      4.33
         HB2     9 LEU  HG      4.07
         HB2     9 LEU  QD1     6.15
         HG2     9 LEU  QD1     9.10
  9 LEU  
         HN      9 LEU  HA      2.93
         HN      9 LEU  HG      3.94
         HN      9 LEU  QD2     9.10
         HN     10 PHE  HN      3.05
         HA      9 LEU  HG      3.94
         HA      9 LEU  QD2     3.81
         QB     10 PHE  QE     12.60
         HG     10 PHE  QD     10.80
         QD1    10 PHE  QE     12.60
 10 PHE  
         HN     10 PHE  HB2     3.05
         HN     10 PHE  HB3     3.81
         HA     10 PHE  HB2     3.05
         HA     10 PHE  HB3     2.93
         HA     11 SER  HN      2.81
         HB2    11 SER  HN      6.15
         HB3    11 SER  HN      3.30
 11 SER  
         HN     11 SER  HB2     3.68
         HN     11 SER  HB3     3.81
         HA     11 SER  HB2     3.05
         HA     12 LYS+ HN      2.81
         HB2    12 LYS+ HN      3.18
         HB3    12 LYS+ HN      3.68
 12 LYS+ 
         QB     13 THR  HA      7.35
 13 THR  
         HN     13 THR  HB      2.93
         HA     13 THR  QG2     3.81
         HA     14 CYSS HN      2.81
         HB     14 CYSS HN      4.47
         QG2    14 CYSS HN      3.81
 14 CYSS 
         HN     14 CYSS HB2     3.05
         HN     14 CYSS HB3     3.68
         HA     15 PRO  HD2     2.57
         HA     15 PRO  HD3     3.05
         HA     18 LYS+ QB      5.43
         HA     38 CYSS HB3     4.07
         HB2    18 LYS+ QB      5.86
 15 PRO  
         HA     16 ALA  HN      2.81
         HB2    16 ALA  HN      3.30
         HB3    16 ALA  HN      3.55
         HB3    16 ALA  QB      6.59
 16 ALA  
         HA     17 GLY  HN      2.57
         HA     18 LYS+ HN      3.81
         QB     17 GLY  HN      3.81
         QB     18 LYS+ HN      9.10
 17 GLY  
         HN     18 LYS+ HN      2.93
         HN     19 ASN  HD21    6.44
 18 LYS+ 
         HN     19 ASN  HN      5.15
         HA     19 ASN  HN      2.57
         HA     39 ILE  HN      5.15
         HA     40 ASP- HN      4.60
         HA     40 ASP- HA      2.69
         HA     40 ASP- QB      5.15
         QB     39 ILE  HN      9.10
         QB     40 ASP- HA      5.86
 19 ASN  
         HN     19 ASN  HB2     2.93
         HN     19 ASN  HB3     3.68
         HN     20 LEU  HN      2.81
         HN     40 ASP- QB      8.77
         HA     19 ASN  HB3     2.81
         HA     20 LEU  HN      3.30
 20 LEU  
         HN     20 LEU  HB2     2.81
         HN     20 LEU  HB3     3.81
         HN     20 LEU  HG      3.30
         HN     20 LEU  QD1     9.10
         HN     20 LEU  QD2     9.10
         HN     39 ILE  HN      3.55
         HN     39 ILE  QG2     8.94
         HA     20 LEU  HB3     2.69
         HA     20 LEU  HG      2.93
         HA     20 LEU  QD1     9.10
         HA     20 LEU  QD2     3.81
         HA     21 CYSS HN      3.05
         HA     55 ASN  HA      5.57
         HB2    21 CYSS HN      3.81
         HB2    55 ASN  HA      7.50
         HB3    21 CYSS HN      3.18
         HB3    39 ILE  QG2     3.81
         HB3    53 CYSS HB2     5.57
         HB3    53 CYSS HB3     3.68
         HB3    54 CYSS HN      5.01
         HB3    55 ASN  HA      6.29
         HB3    55 ASN  HB3     6.00
         HG     40 ASP- HA      5.57
         HG     55 ASN  HA      7.19
         QD1    40 ASP- HA      5.71
         QD1    42 CYSS HN      4.47
         QD1    42 CYSS HA      9.10
         QD1    42 CYSS HB2     3.81
         QD1    53 CYSS HA      9.10
         QD1    53 CYSS HB3     7.66
         QD2    40 ASP- QB     10.80
         QD2    42 CYSS HB2     9.10
         QD2    53 CYSS HB2     5.29
         QD2    54 CYSS HN      9.10
         QD2    54 CYSS HA      9.10
         QD2    55 ASN  HN      9.10
         QD2    55 ASN  HA      3.81
         QD2    55 ASN  HB2     3.81
         QD2    55 ASN  HB3     3.81
 21 CYSS 
         HN     21 CYSS HA      2.93
         HN     53 CYSS HB3     7.50
         HN     54 CYSS HN      3.43
         HN     55 ASN  HA      4.74
         HA     21 CYSS HB3     2.57
         HA     22 TYR  HN      2.69
         HA     38 CYSS HA      2.81
         HA     39 ILE  HN      3.81
         HA     60 ASN  HB3     5.43
         HB3    60 ASN  HB3     2.57
 22 TYR  
         HN     38 CYSS HA      3.94
         HN     60 ASN  HD21    4.20
         HA     22 TYR  HB3     3.05
         HA     23 LYS+ HN      2.81
         HA     39 ILE  HB      5.86
         HA     39 ILE  QG2     6.29
         HA     53 CYSS HA      2.81
         HA     53 CYSS HB3     4.20
         HA     54 CYSS HN      4.20
         HA     60 ASN  HB2     6.00
         HB2    39 ILE  HB      3.68
         HB2    39 ILE  QG2     4.60
         HB2    51 TYR  QD      7.35
         HB3    39 ILE  HB      3.94
         HB3    39 ILE  QG2     3.81
         HB3    51 TYR  QD      7.19
         HB3    53 CYSS HA      6.44
         QD     24 MET  HN     10.63
         QD     24 MET  HB2     6.89
         QD     35 LYS+ HB2     6.44
         QD     38 CYSS HA      8.94
         QD     39 ILE  HN      8.94
         QD     39 ILE  QG2     7.81
         QD     39 ILE  QD1    12.60
         QE     23 LYS+ HA      9.94
         QE     24 MET  HB2     6.59
         QE     35 LYS+ HA     10.80
         QE     35 LYS+ HB2     6.29
         QE     35 LYS+ HB3    10.11
         QE     36 ARG+ HA      8.77
         QE     37 GLY  HA1     8.61
         QE     38 CYSS HN      8.13
         QE     39 ILE  QG2    12.60
         QE     39 ILE  HG12   10.80
         QE     39 ILE  QD1    12.60
 23 LYS+ 
         HN     23 LYS+ HB2     3.94
         HN     23 LYS+ HB3     3.94
         HN     23 LYS+ QB      3.71
         HN     52 VAL  HB      5.01
         HN     53 CYSS HA      3.81
         HA     24 MET  HN      3.05
         HA     36 ARG+ HA      2.69
         HA     36 ARG+ HB2     7.50
         HA     36 ARG+ QG      5.89
         HA     37 GLY  HN      4.74
         HA     60 ASN  HB2     5.57
         HB2    60 ASN  HB2     5.57
         HB3    60 ASN  HB2     5.57
         QB     60 ASN  HB2     5.29
 24 MET  
         HN     24 MET  HB2     2.69
         HN     24 MET  HB3     2.81
         HN     35 LYS+ HN      3.18
         HN     36 ARG+ HA      4.20
         HA     24 MET  HB2     2.57
         HA     25 PHE  HN      2.57
         HB2    34 VAL  HN      6.29
         HB2    35 LYS+ QD      3.81
         HB2    51 TYR  QD      6.89
         HB2    51 TYR  QE      7.19
         HB3    25 PHE  HA      4.60
         HB3    34 VAL  HN      5.01
         HB3    35 LYS+ HN      3.68
         QG     25 PHE  HN      6.89
         QG     25 PHE  HA      7.81
         QG     51 TYR  QD     11.87
         QG     51 TYR  QE     10.80
 25 PHE  
         HN     25 PHE  HB2     3.94
         HN     25 PHE  HB3     3.94
         HN     25 PHE  QB      3.59
         HN     50 LYS+ HN      3.55
         HA     25 PHE  HB2     3.05
         HA     25 PHE  HB3     3.05
         HA     26 MET  HN      3.18
         HA     33 PRO  HA      4.07
         HA     34 VAL  HN      3.94
         HA     34 VAL  HB      5.01
         HA     34 VAL  QG1     9.10
         HA     34 VAL  QG2     3.81
         QB     26 MET  HN      3.93
         QB     30 PRO  HA      5.35
         QB     33 PRO  HA      5.35
         QB     34 VAL  QG2     7.17
         QB     50 LYS+ QB      5.95
 26 MET  
         HN     26 MET  HB2     3.05
         HN     26 MET  HB3     3.55
         HN     26 MET  HG3     4.74
         HA     26 MET  HB3     2.81
         HA     27 VAL  HN      2.57
         HA     28 ALA  QB      6.44
         HA     49 VAL  HA      2.93
         HA     49 VAL  HB      5.71
         HB2    26 MET  HG2     2.93
         HB2    29 ALA  HN      3.81
         HB3    26 MET  HG2     2.93
         HB3    27 VAL  HN      3.94
         HB3    28 ALA  HN      3.94
         HB3    28 ALA  QB      9.10
         HB3    29 ALA  HN      4.20
         HB3    34 VAL  QG1     9.10
         HG2    34 VAL  QG1     9.10
         HG2    34 VAL  QG2     7.97
         HG3    34 VAL  QG1     9.10
         HG3    34 VAL  QG2     5.15
 27 VAL  
         HN     48 LEU  HA      4.47
         HA     28 ALA  HN      3.55
         HA     50 LYS+ QB      6.03
 28 ALA  
         HN     29 ALA  HN      3.18
         HA     30 PRO  QD      9.10
         QB     29 ALA  HN      3.81
 29 ALA  
         HA     31 HIS  HN      5.29
         HA     32 VAL  QQG    11.51
         QB     32 VAL  HA      9.10
         QB     32 VAL  HB      3.94
 31 HIS  
         HN     31 HIS  HB3     3.18
         HN     31 HIS  HD2     7.50
         HN     32 VAL  HN      2.93
         HA     31 HIS  HD2     6.89
         HB3    32 VAL  QG2     9.10
 32 VAL  
         HN     32 VAL  HB      2.69
         HN     32 VAL  QG2     3.81
         HA     33 PRO  HG2     5.86
         HA     33 PRO  HD2     3.68
         HA     33 PRO  HD3     3.68
         QG1    33 PRO  HD2     9.10
         QG1    33 PRO  HD3     9.10
 33 PRO  
         HA     34 VAL  HN      2.69
         HA     34 VAL  QG2     6.59
         HA     35 LYS+ HN      5.43
         HB3    34 VAL  HN      4.33
 34 VAL  
         HN     34 VAL  HB      3.18
         HN     35 LYS+ HN      2.57
         HA     35 LYS+ HA      4.87
         HB     35 LYS+ HN      3.30
         QG1    35 LYS+ HN      9.10
         QG1    35 LYS+ HA      6.89
         QG1    35 LYS+ HG2     5.43
         QG1    35 LYS+ QD      6.03
         QG2    35 LYS+ HN      9.10
         QG2    35 LYS+ QD      7.77
 35 LYS+ 
         HN     35 LYS+ HB2     3.43
         HN     35 LYS+ HG3     3.68
         HA     35 LYS+ HG2     2.93
         HA     35 LYS+ HG3     3.30
         HA     36 ARG+ HN      2.93
         HA     36 ARG+ HB2     7.04
         HB3    36 ARG+ HN      3.43
 36 ARG+ 
         HA     36 ARG+ HB3     3.05
         HA     36 ARG+ HG2     3.68
         HA     36 ARG+ HG3     3.68
         HA     36 ARG+ QG      3.51
         HA     37 GLY  HN      2.69
         HB2    36 ARG+ QG      2.68
         HB3    37 GLY  HN      3.55
         HB3    60 ASN  HD21    3.81
         HB3    60 ASN  HD22    3.43
 37 GLY  
         HN     60 ASN  HD21    3.30
         HN     60 ASN  HD22    4.33
         HA2    38 CYSS HN      3.18
 38 CYSS 
         HN     38 CYSS HB2     3.05
         HN     38 CYSS HB3     3.55
         HA     38 CYSS HB3     2.81
         HA     39 ILE  HN      2.57
         HA     39 ILE  HB      7.50
         HA     39 ILE  QG2     9.10
         HB2    39 ILE  HN      5.15
         HB3    39 ILE  HN      3.18
 39 ILE  
         HN     39 ILE  HB      3.30
         HN     39 ILE  QG2     3.81
         HA     39 ILE  HB      2.81
         HA     39 ILE  HG12    3.30
         HA     39 ILE  HG13    2.93
         HA     40 ASP- HN      2.69
         HA     40 ASP- HA      5.01
         HA     40 ASP- QB      5.62
         HA     41 VAL  HN      5.01
         HB     40 ASP- HN      4.33
         HB     43 PRO  HD3     6.29
         QG2    39 ILE  HG12    3.81
         QG2    40 ASP- HN      6.89
         QG2    40 ASP- HA      9.10
         QG2    41 VAL  HN      5.57
         QG2    42 CYSS HA      3.81
         QG2    43 PRO  HD3     8.45
         QG2    53 CYSS HB2     9.10
         HG12   40 ASP- HN      2.57
         HG12   40 ASP- QB      6.15
         HG12   42 CYSS HA      4.20
         HG12   43 PRO  HD3     4.33
         HG13   40 ASP- HN      2.57
         HG13   41 VAL  HN      3.68
         QD1    40 ASP- HN      9.10
         QD1    42 CYSS HA      7.35
         QD1    43 PRO  HA      9.10
         QD1    43 PRO  HG2     7.50
         QD1    43 PRO  HG3     3.81
         QD1    43 PRO  HD2     6.00
         QD1    43 PRO  HD3     3.81
         QD1    51 TYR  QD     12.60
         QD1    51 TYR  QE     12.60
 40 ASP- 
         HN     41 VAL  HN      2.57
 41 VAL  
         HA     41 VAL  HB      2.93
         HA     42 CYSS HN      2.57
 42 CYSS 
         HN     42 CYSS HB2     2.57
         HN     42 CYSS HB3     2.81
         HA     42 CYSS HB2     2.81
         HA     43 PRO  HG3     5.01
         HA     43 PRO  HD3     2.57
         HB2    53 CYSS HB3     4.47
 43 PRO  
         HA     44 LYS+ HN      2.57
         HB2    51 TYR  QD      9.10
         HB2    51 TYR  QE      9.60
         HB3    51 TYR  QD      9.60
         HB3    51 TYR  QE     10.80
         HG2    51 TYR  QD      8.94
         HG2    51 TYR  QE      9.10
         HG3    51 TYR  QD     10.80
         HG3    51 TYR  QE     10.80
         HD2    51 TYR  HB2     6.59
         HD2    51 TYR  QD      7.97
         HD3    51 TYR  QD      9.27
 44 LYS+ 
         HN     44 LYS+ HB2     3.05
         HN     44 LYS+ HB3     2.81
         HN     44 LYS+ QG      5.71
         HA     44 LYS+ HB2     2.69
         HA     51 TYR  QD     10.80
         HB2    45 SER  HN      4.47
         QG     45 SER  HN      5.86
         QG     45 SER  HB2     7.04
         QG     45 SER  HB3     9.10
 45 SER  
         HN     45 SER  HB2     3.18
         HN     45 SER  HB3     4.07
         HA     45 SER  HB3     2.93
         HA     51 TYR  HB2     5.71
         HA     51 TYR  QD      6.74
         HA     51 TYR  QE      9.94
         HB2    46 SER  HN      5.29
         HB2    51 TYR  QD     10.80
         HB3    46 SER  HN      3.94
         HB3    51 TYR  QD      9.27
 46 SER  
         HN     49 VAL  HN      4.07
         HA     46 SER  HB2     2.81
         HA     47 LEU  HN      3.18
         HA     47 LEU  HA      5.57
         HA     47 LEU  HG      5.01
         HB2    47 LEU  HN      2.81
         HB3    47 LEU  HN      3.94
 47 LEU  
         HN     47 LEU  HB2     2.81
         HN     48 LEU  HN      3.43
         HA     47 LEU  HB3     2.81
         HB2    48 LEU  HN      3.55
         HG     48 LEU  HN      5.29
 48 LEU  
         HN     48 LEU  HB3     3.18
         HN     48 LEU  HG      4.60
         HN     49 VAL  HN      2.57
         HA     48 LEU  HB2     2.57
         HA     48 LEU  HB3     2.93
         HB3    49 VAL  HN      3.18
         HG     49 VAL  HN      6.00
 49 VAL  
         HA     49 VAL  HB      2.93
 50 LYS+ 
         HN     50 LYS+ QB      3.73
         HA     51 TYR  QD     10.80
 51 TYR  
         HN     51 TYR  HB2     3.05
         HN     51 TYR  HB3     4.07
         HA     51 TYR  HB3     2.81
         HA     52 VAL  HN      3.43
         HA     52 VAL  QG2     9.10
         HB2    52 VAL  HN      5.01
         HB3    52 VAL  HN      4.74
 52 VAL  
         HN     52 VAL  HB      2.93
         HN     52 VAL  QG2     4.47
         HA     53 CYSS HN      2.57
         HB     53 CYSS HN      5.01
         QG1    53 CYSS HN      4.74
         QG1    53 CYSS HA      9.10
         QG2    53 CYSS HN      9.10
 53 CYSS 
         HN     53 CYSS HB2     3.05
         HN     53 CYSS HB3     3.94
         HA     53 CYSS HB3     2.69
         HA     54 CYSS HN      2.57
         HB2    54 CYSS HN      3.94
         HB3    54 CYSS HN      3.05
 54 CYSS 
         HA     55 ASN  HN      2.69
         HA     56 THR  QG2     9.10
         HB2    55 ASN  HN      3.05
         HB2    55 ASN  HA      4.87
         HB2    56 THR  QG2     9.10
         HB3    55 ASN  HN      3.81
 55 ASN  
         HN     55 ASN  HB2     3.55
         HN     55 ASN  HB3     3.43
         HN     56 THR  HN      3.18
         HN     56 THR  QG2     9.10
         HA     56 THR  HN      3.55
         HA     56 THR  QG2     9.10
 56 THR  
         HN     59 CYSS HB2     4.20
         HA     56 THR  HB      2.93
         HB     57 ASP- HN      3.05
         HB     59 CYSS HA      4.47
         QG2    57 ASP- HN      9.10
 57 ASP- 
         HN     57 ASP- HB2     2.69
         HN     57 ASP- HB3     4.07
         HA     57 ASP- HB3     2.93
         HA     58 LYS+ HN      3.18
         HB2    58 LYS+ HN      4.74
         HB2    58 LYS+ QB      8.13
         HB3    58 LYS+ HN      4.33
 58 LYS+ 
         HN     58 LYS+ HA      2.69
         HN     59 CYSS HN      3.68
         HA     59 CYSS HN      3.18
         HA     60 ASN  HN      4.47
 59 CYSS 
         HN     59 CYSS HB2     3.94
         HN     59 CYSS HB3     3.05
         HN     60 ASN  HN      3.30
         HB3    60 ASN  HN      5.29
 60 ASN  
         HN     60 ASN  HB2     3.68
         HN     60 ASN  HB3     3.05
         HA     60 ASN  HB2     2.57
         HB2    60 ASN  HD21    3.05
  1 LEU  HA      2 LYS+ HN      2.60       #added 42oC
 12 LYS+ HA     13 THR  HN      2.70       #added 42oC
 27 VAL 
         HN     49 VAL  HA      3.70       #added 42oC
 44 LYS+ HA     45 SER  HN      2.60       #added 42oC
 45 SER
         HA     46 SER  HN      2.70       #added 42oC
 50 LYS+ HA     51 TYR  HN      2.70       #added 42oC
 56 THR  HA     57 ASP- HN      3.00       #added 42oC
  7 VAL  HA      8 PRO  HB3     5.20       #accord to too restricted constr for pro
 42 CYSS HA     43 PRO  HB2     6.00       #accord to too restricted constr for pro
 30 PRO 
         QD     62 HOH  H1      3.00       #added ROESY
 22 TYR  QD     23 LYS+ HA      8.61

  2 LYS+ HN     57 ASP- OD1     2.30  9.00e+00
  2 LYS+ HN     57 ASP- CG      3.60  9.00e+00
  2 LYS+ N      57 ASP- OD1     3.40  9.00e+00
  2 LYS+ N      57 ASP- CG      4.60  9.00e+00
  3 CYSS HN     12 LYS+ O       2.30  9.00e+00
  3 CYSS HN     12 LYS+ C       3.60  9.00e+00
  3 CYSS N      12 LYS+ O       3.40  9.00e+00
  3 CYSS N      12 LYS+ C       4.60  9.00e+00
  4 LYS+ HN     60 ASN  OD1     2.30  9.00e+00
  4 LYS+ HN     60 ASN  CG      3.60  9.00e+00
  4 LYS+ N      60 ASN  OD1     3.40  9.00e+00
  4 LYS+ N      60 ASN  CG      4.60  9.00e+00
  5 LYS+ HN     10 PHE  O       2.30  9.00e+00
  5 LYS+ HN     10 PHE  C       3.60  9.00e+00
  5 LYS+ N      10 PHE  O       3.40  9.00e+00
  5 LYS+ N      10 PHE  C       4.60  9.00e+00
 12 LYS+ HN      3 CYSS O       2.30  9.00e+00
 12 LYS+ HN      3 CYSS C       3.60  9.00e+00
 12 LYS+ N       3 CYSS O       3.40  9.00e+00
 12 LYS+ N       3 CYSS C       4.60  9.00e+00
 14 CYSS HN      1 LEU  O       2.30  9.00e+00
 14 CYSS HN      1 LEU  C       3.60  9.00e+00
 14 CYSS N       1 LEU  O       3.40  9.00e+00
 14 CYSS N       1 LEU  C       4.60  9.00e+00
 18 LYS+ HN     15 PRO  O       2.30  9.00e+00
 18 LYS+ HN     15 PRO  C       3.60  9.00e+00
 18 LYS+ N      15 PRO  O       3.40  9.00e+00
 18 LYS+ N      15 PRO  C       4.60  9.00e+00
 20 LEU  HN     39 ILE  O       2.30  9.00e+00
 20 LEU  HN     39 ILE  C       3.60  9.00e+00
 20 LEU  N      39 ILE  O       3.40  9.00e+00
 20 LEU  N      39 ILE  C       4.60  9.00e+00
 21 CYSS HN     54 CYSS O       2.30  9.00e+00
 21 CYSS HN     54 CYSS C       3.60  9.00e+00
 21 CYSS N      54 CYSS O       3.40  9.00e+00
 21 CYSS N      54 CYSS C       4.60  9.00e+00
 22 TYR  HN     37 GLY  O       2.30  9.00e+00
 22 TYR  HN     37 GLY  C       3.60  9.00e+00
 22 TYR  N      37 GLY  O       3.40  9.00e+00
 22 TYR  N      37 GLY  C       4.60  9.00e+00
 23 LYS+ HN     52 VAL  O       2.30  9.00e+00
 23 LYS+ HN     52 VAL  C       3.60  9.00e+00
 23 LYS+ N      52 VAL  O       3.40  9.00e+00
 23 LYS+ N      52 VAL  C       4.60  9.00e+00
 24 MET  HN     35 LYS+ O       2.30  9.00e+00
 24 MET  HN     35 LYS+ C       3.60  9.00e+00
 24 MET  N      35 LYS+ O       3.40  9.00e+00
 24 MET  N      35 LYS+ C       4.60  9.00e+00
 25 PHE  HN     50 LYS+ O       2.30  9.00e+00
 25 PHE  HN     50 LYS+ C       3.60  9.00e+00
 25 PHE  N      50 LYS+ O       3.40  9.00e+00
 25 PHE  N      50 LYS+ C       4.60  9.00e+00
 26 MET  HN     61 HOH  H3      1.30  9.00e+00
 26 MET  HN     61 HOH  O       2.30  9.00e+00
 26 MET  N      61 HOH  H3      2.40  9.00e+00
 26 MET  N      61 HOH  O       3.40  9.00e+00
 27 VAL  HN     48 LEU  O       2.30  9.00e+00
 27 VAL  HN     48 LEU  C       3.60  9.00e+00
 27 VAL  N      48 LEU  O       3.40  9.00e+00
 27 VAL  N      48 LEU  C       4.60  9.00e+00
 29 ALA  HN     26 MET  O       2.30  9.00e+00
 29 ALA  HN     26 MET  C       3.60  9.00e+00
 29 ALA  N      26 MET  O       3.40  9.00e+00
 29 ALA  N      26 MET  C       4.60  9.00e+00
 34 VAL  HN     24 MET  O       2.30  9.00e+00
 34 VAL  HN     24 MET  C       3.60  9.00e+00
 34 VAL  N      24 MET  O       3.40  9.00e+00
 34 VAL  N      24 MET  C       4.60  9.00e+00
 35 LYS+ HN     24 MET  O       2.30  9.00e+00
 35 LYS+ HN     24 MET  C       3.60  9.00e+00
 35 LYS+ N      24 MET  O       3.40  9.00e+00
 35 LYS+ N      24 MET  C       4.60  9.00e+00
 37 GLY  HN     22 TYR  O       2.30  9.00e+00
 37 GLY  HN     22 TYR  C       3.60  9.00e+00
 37 GLY  N      22 TYR  O       3.40  9.00e+00
 37 GLY  N      22 TYR  C       4.60  9.00e+00
 39 ILE  HN     20 LEU  O       2.30  9.00e+00
 39 ILE  HN     20 LEU  C       3.60  9.00e+00
 39 ILE  N      20 LEU  O       3.40  9.00e+00
 39 ILE  N      20 LEU  C       4.60  9.00e+00
 46 SER  HN     49 VAL  O       2.30  9.00e+00
 46 SER  HN     49 VAL  C       3.60  9.00e+00
 46 SER  N      49 VAL  O       3.40  9.00e+00
 46 SER  N      49 VAL  C       4.60  9.00e+00
 49 VAL  HN     46 SER  OG      2.30  9.00e+00
 49 VAL  HN     46 SER  CB      3.60  9.00e+00
 49 VAL  N      46 SER  OG      3.40  9.00e+00
 49 VAL  N      46 SER  CB      4.60  9.00e+00
 50 LYS+ HN     25 PHE  O       2.30  9.00e+00
 50 LYS+ HN     25 PHE  C       3.60  9.00e+00
 50 LYS+ N      25 PHE  O       3.40  9.00e+00
 50 LYS+ N      25 PHE  C       4.60  9.00e+00
 51 TYR  HN     45 SER  OG      2.30  9.00e+00
 51 TYR  HN     45 SER  CB      3.60  9.00e+00
 51 TYR  N      45 SER  OG      3.40  9.00e+00
 51 TYR  N      45 SER  CB      4.60  9.00e+00
 52 VAL  HN     23 LYS+ O       2.30  9.00e+00
 52 VAL  HN     23 LYS+ C       3.60  9.00e+00
 52 VAL  N      23 LYS+ O       3.40  9.00e+00
 52 VAL  N      23 LYS+ C       4.60  9.00e+00
 54 CYSS HN     21 CYSS O       2.30  9.00e+00
 54 CYSS HN     21 CYSS C       3.60  9.00e+00
 54 CYSS N      21 CYSS O       3.40  9.00e+00
 54 CYSS N      21 CYSS C       4.60  9.00e+00
 58 LYS+ HN      2 LYS+ O       2.30  9.00e+00
 58 LYS+ HN      2 LYS+ C       3.60  9.00e+00
 58 LYS+ N       2 LYS+ O       3.40  9.00e+00
 58 LYS+ N       2 LYS+ C       4.60  9.00e+00
 59 CYSS HN     56 THR  O       3.05  9.00e+00
 59 CYSS HN     56 THR  C       3.95  9.00e+00
 59 CYSS N      56 THR  O       3.60  9.00e+00
 59 CYSS N      56 THR  C       4.60  9.00e+00
 60 ASN  HD22    4 LYS+ O       2.30  9.00e+00
 60 ASN  HD22    4 LYS+ C       3.60  9.00e+00
 60 ASN  ND2     4 LYS+ O       3.40  9.00e+00
 60 ASN  ND2     4 LYS+ C       4.60  9.00e+00
 60 ASN  HD21   22 TYR  O       2.30  9.00e+00
 60 ASN  HD21   22 TYR  C       3.60  9.00e+00
 60 ASN  ND2    22 TYR  O       3.40  9.00e+00
 60 ASN  ND2    22 TYR  C       4.60  9.00e+00
  3 CYSS
         SG     21 CYSS SG      2.10  9.00e+00
         SG     21 CYSS CB      3.10  9.00e+00
         CB     21 CYSS SG      3.10  9.00e+00
 14 CYSS
         SG     38 CYSS SG      2.10  9.00e+00
         SG     38 CYSS CB      3.10  9.00e+00
         CB     38 CYSS SG      3.10  9.00e+00
 42 CYSS
         SG     53 CYSS SG      2.10  9.00e+00
         SG     53 CYSS CB      3.10  9.00e+00
         CB     53 CYSS SG      3.10  9.00e+00
 54 CYSS
         SG     59 CYSS SG      2.10  9.00e+00
         SG     59 CYSS CB      3.10  9.00e+00
         CB     59 CYSS SG      3.10  9.00e+00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    LEU   1           H        LEU   1   3.653  15.275  -4.757
    2    HA   LEU   1           HA       LEU   1   4.121  12.859  -4.495
    3   1HB   LEU   1          1HB       LEU   1   1.689  14.088  -3.207
    4   2HB   LEU   1          2HB       LEU   1   2.313  12.518  -2.741
    5    HG   LEU   1           HG       LEU   1   4.407  14.552  -2.754
    6   1HD1  LEU   1          1HD1      LEU   1   2.016  15.008  -0.949
    7   2HD1  LEU   1          2HD1      LEU   1   3.605  15.792  -0.775
    8   3HD1  LEU   1          3HD1      LEU   1   2.617  16.094  -2.224
    9   1HD2  LEU   1          1HD2      LEU   1   4.651  12.358  -1.721
   10   2HD2  LEU   1          2HD2      LEU   1   4.830  13.652  -0.513
   11   3HD2  LEU   1          3HD2      LEU   1   3.317  12.719  -0.600
   12    H    LYS   2           H        LYS   2   3.931  11.242  -5.968
   13    HA   LYS   2           HA       LYS   2   1.186  10.539  -6.744
   14   1HB   LYS   2          1HB       LYS   2   1.898  10.019  -8.941
   15   2HB   LYS   2          2HB       LYS   2   2.544  11.607  -8.579
   16   1HG   LYS   2          1HG       LYS   2   4.714  10.402  -7.839
   17   2HG   LYS   2          2HG       LYS   2   4.044   8.953  -8.563
   18   1HD   LYS   2          1HD       LYS   2   3.807  10.175 -10.749
   19   2HD   LYS   2          2HD       LYS   2   4.521  11.598 -10.018
   20   1HE   LYS   2          1HE       LYS   2   6.606  10.296  -9.526
   21   2HE   LYS   2          2HE       LYS   2   5.891   8.876 -10.264
   22   1HZ   LYS   2          1HZ       LYS   2   5.722  10.105 -12.323
   23   2HZ   LYS   2          2HZ       LYS   2   6.389  11.427 -11.635
   24   3HZ   LYS   2          3HZ       LYS   2   7.271  10.064 -11.808
   25    H    CYS   3           H        CYS   3   0.562   8.552  -6.087
   26    HA   CYS   3           HA       CYS   3   2.708   6.633  -5.545
   27   1HB   CYS   3          1HB       CYS   3   0.471   7.529  -3.804
   28   2HB   CYS   3          2HB       CYS   3   0.836   5.815  -3.804
   29    H    LYS   4           H        LYS   4   1.384   4.320  -5.216
   30    HA   LYS   4           HA       LYS   4  -0.037   4.035  -7.736
   31   1HB   LYS   4          1HB       LYS   4   1.067   1.954  -5.825
   32   2HB   LYS   4          2HB       LYS   4   0.334   1.622  -7.381
   33   1HG   LYS   4          1HG       LYS   4   2.107   3.213  -8.398
   34   2HG   LYS   4          2HG       LYS   4   2.908   3.162  -6.840
   35   1HD   LYS   4          1HD       LYS   4   3.998   1.398  -7.897
   36   2HD   LYS   4          2HD       LYS   4   2.683   0.521  -7.141
   37   1HE   LYS   4          1HE       LYS   4   2.550  -0.276  -9.343
   38   2HE   LYS   4          2HE       LYS   4   1.378   1.026  -9.385
   39   1HZ   LYS   4          1HZ       LYS   4   3.102   2.460 -10.265
   40   2HZ   LYS   4          2HZ       LYS   4   4.181   1.234 -10.244
   41   3HZ   LYS   4          3HZ       LYS   4   2.880   1.160 -11.229
   42    H    LYS   5           H        LYS   5  -2.104   2.958  -7.885
   43    HA   LYS   5           HA       LYS   5  -3.733   3.541  -5.552
   44   1HB   LYS   5          1HB       LYS   5  -4.450   2.834  -8.412
   45   2HB   LYS   5          2HB       LYS   5  -5.618   3.153  -7.146
   46   1HG   LYS   5          1HG       LYS   5  -3.903   5.344  -6.934
   47   2HG   LYS   5          2HG       LYS   5  -3.917   5.050  -8.662
   48   1HD   LYS   5          1HD       LYS   5  -5.850   6.266  -8.659
   49   2HD   LYS   5          2HD       LYS   5  -6.602   4.794  -8.079
   50   1HE   LYS   5          1HE       LYS   5  -6.246   5.524  -5.720
   51   2HE   LYS   5          2HE       LYS   5  -5.452   6.982  -6.281
   52   1HZ   LYS   5          1HZ       LYS   5  -8.233   6.237  -6.873
   53   2HZ   LYS   5          2HZ       LYS   5  -7.760   7.367  -5.793
   54   3HZ   LYS   5          3HZ       LYS   5  -7.493   7.598  -7.387
   55    H    LEU   6           H        LEU   6  -5.808   1.701  -5.835
   56    HA   LEU   6           HA       LEU   6  -4.912  -0.426  -4.371
   57   1HB   LEU   6          1HB       LEU   6  -7.333   0.100  -6.043
   58   2HB   LEU   6          2HB       LEU   6  -7.084  -1.509  -5.397
   59    HG   LEU   6           HG       LEU   6  -6.736  -0.169  -3.122
   60   1HD1  LEU   6          1HD1      LEU   6  -8.464   1.684  -4.783
   61   2HD1  LEU   6          2HD1      LEU   6  -8.334   1.737  -3.009
   62   3HD1  LEU   6          3HD1      LEU   6  -6.901   2.055  -4.015
   63   1HD2  LEU   6          1HD2      LEU   6  -9.428  -0.806  -4.359
   64   2HD2  LEU   6          2HD2      LEU   6  -8.376  -1.922  -3.457
   65   3HD2  LEU   6          3HD2      LEU   6  -9.124  -0.537  -2.626
   66    H    VAL   7           H        VAL   7  -5.059  -0.010  -7.926
   67    HA   VAL   7           HA       VAL   7  -3.980  -2.712  -8.225
   68    HB   VAL   7           HB       VAL   7  -5.002  -0.786 -10.319
   69   1HG1  VAL   7          1HG1      VAL   7  -3.440  -2.556 -11.113
   70   2HG1  VAL   7          2HG1      VAL   7  -4.551  -3.785 -10.463
   71   3HG1  VAL   7          3HG1      VAL   7  -5.081  -2.715 -11.783
   72   1HG2  VAL   7          1HG2      VAL   7  -6.435  -2.994  -8.812
   73   2HG2  VAL   7          2HG2      VAL   7  -6.846  -1.263  -8.867
   74   3HG2  VAL   7          3HG2      VAL   7  -7.039  -2.269 -10.322
   75    HA   PRO   8           HA       PRO   8  -0.078  -0.887  -8.809
   76   1HB   PRO   8          1HB       PRO   8   1.327  -3.154  -9.404
   77   2HB   PRO   8          2HB       PRO   8   0.979  -2.645  -7.764
   78   1HG   PRO   8          1HG       PRO   8  -0.265  -4.820  -9.334
   79   2HG   PRO   8          2HG       PRO   8  -0.285  -4.568  -7.600
   80   1HD   PRO   8          1HD       PRO   8  -2.424  -4.036  -9.435
   81   2HD   PRO   8          2HD       PRO   8  -2.401  -3.678  -7.720
   82    H    LEU   9           H        LEU   9  -1.631  -0.119 -10.774
   83    HA   LEU   9           HA       LEU   9   0.156  -0.491 -13.032
   84   1HB   LEU   9          1HB       LEU   9  -2.694  -1.388 -12.937
   85   2HB   LEU   9          2HB       LEU   9  -2.066  -0.711 -14.427
   86    HG   LEU   9           HG       LEU   9  -0.619  -2.956 -13.033
   87   1HD1  LEU   9          1HD1      LEU   9  -2.955  -3.234 -14.943
   88   2HD1  LEU   9          2HD1      LEU   9  -1.862  -4.553 -14.459
   89   3HD1  LEU   9          3HD1      LEU   9  -2.888  -3.757 -13.242
   90   1HD2  LEU   9          1HD2      LEU   9  -0.759  -2.055 -15.923
   91   2HD2  LEU   9          2HD2      LEU   9   0.593  -1.804 -14.793
   92   3HD2  LEU   9          3HD2      LEU   9   0.163  -3.451 -15.315
   93    H    PHE  10           H        PHE  10  -2.781   1.073 -11.625
   94    HA   PHE  10           HA       PHE  10  -2.179   3.438 -13.225
   95   1HB   PHE  10          1HB       PHE  10  -4.517   2.320 -11.607
   96   2HB   PHE  10          2HB       PHE  10  -4.490   4.032 -11.982
   97    HD1  PHE  10           HD1      PHE  10  -4.768   0.659 -13.397
   98    HD2  PHE  10           HD2      PHE  10  -4.876   4.818 -14.230
   99    HE1  PHE  10           HE1      PHE  10  -5.782   0.182 -15.642
  100    HE2  PHE  10           HE2      PHE  10  -5.890   4.342 -16.476
  101    HZ   PHE  10           HZ       PHE  10  -6.331   2.029 -17.155
  102    H    SER  11           H        SER  11  -1.547   5.391 -12.321
  103    HA   SER  11           HA       SER  11  -1.231   5.329  -9.421
  104   1HB   SER  11          1HB       SER  11   0.674   7.064  -9.996
  105   2HB   SER  11          2HB       SER  11   0.983   5.346 -10.149
  106    HG   SER  11           HG       SER  11   0.325   7.207 -12.265
  107    H    LYS  12           H        LYS  12  -1.582   7.376  -8.287
  108    HA   LYS  12           HA       LYS  12  -2.733   9.510  -9.902
  109   1HB   LYS  12          1HB       LYS  12  -4.443   7.723  -8.850
  110   2HB   LYS  12          2HB       LYS  12  -4.249   8.756  -7.448
  111   1HG   LYS  12          1HG       LYS  12  -6.005   9.841  -8.548
  112   2HG   LYS  12          2HG       LYS  12  -4.630  10.733  -9.170
  113   1HD   LYS  12          1HD       LYS  12  -4.587   9.156 -11.166
  114   2HD   LYS  12          2HD       LYS  12  -6.058   8.419 -10.562
  115   1HE   LYS  12          1HE       LYS  12  -5.792  11.398 -11.191
  116   2HE   LYS  12          2HE       LYS  12  -6.427  10.220 -12.322
  117   1HZ   LYS  12          1HZ       LYS  12  -8.055   9.644 -10.549
  118   2HZ   LYS  12          2HZ       LYS  12  -7.552  10.957  -9.718
  119   3HZ   LYS  12          3HZ       LYS  12  -8.236  11.136 -11.190
  120    H    THR  13           H        THR  13  -2.648  11.592  -8.862
  121    HA   THR  13           HA       THR  13  -0.608  11.644  -6.760
  122    HB   THR  13           HB       THR  13  -1.562  13.502  -8.960
  123    HG1  THR  13           HG1      THR  13   0.286  12.158  -9.319
  124   1HG2  THR  13          1HG2      THR  13   0.048  14.272  -6.470
  125   2HG2  THR  13          2HG2      THR  13  -0.010  15.240  -7.963
  126   3HG2  THR  13          3HG2      THR  13  -1.487  15.001  -6.999
  127    H    CYS  14           H        CYS  14  -1.091  12.043  -4.698
  128    HA   CYS  14           HA       CYS  14  -3.683  12.270  -3.826
  129   1HB   CYS  14          1HB       CYS  14  -1.333  13.375  -2.299
  130   2HB   CYS  14          2HB       CYS  14  -2.807  12.669  -1.669
  131    HA   PRO  15           HA       PRO  15  -4.327  16.497  -4.877
  132   1HB   PRO  15          1HB       PRO  15  -6.981  16.619  -4.239
  133   2HB   PRO  15          2HB       PRO  15  -6.393  16.060  -5.793
  134   1HG   PRO  15          1HG       PRO  15  -7.475  14.478  -3.541
  135   2HG   PRO  15          2HG       PRO  15  -7.286  14.011  -5.220
  136   1HD   PRO  15          1HD       PRO  15  -5.619  13.227  -3.022
  137   2HD   PRO  15          2HD       PRO  15  -5.364  12.855  -4.715
  138    H    ALA  16           H        ALA  16  -5.271  18.549  -3.856
  139    HA   ALA  16           HA       ALA  16  -3.912  19.073  -1.578
  140   1HB   ALA  16          1HB       ALA  16  -6.592  20.193  -2.495
  141   2HB   ALA  16          2HB       ALA  16  -5.525  20.953  -1.290
  142   3HB   ALA  16          3HB       ALA  16  -4.979  20.774  -2.975
  143    H    GLY  17           H        GLY  17  -4.093  18.640   0.587
  144   1HA   GLY  17          1HA       GLY  17  -5.584  18.371   2.478
  145   2HA   GLY  17          2HA       GLY  17  -6.602  17.352   1.480
  146    H    LYS  18           H        LYS  18  -4.640  15.764   0.142
  147    HA   LYS  18           HA       LYS  18  -3.534  14.303   2.437
  148   1HB   LYS  18          1HB       LYS  18  -4.460  13.205  -0.234
  149   2HB   LYS  18          2HB       LYS  18  -3.817  12.271   1.101
  150   1HG   LYS  18          1HG       LYS  18  -5.702  12.824   2.523
  151   2HG   LYS  18          2HG       LYS  18  -6.262  14.064   1.418
  152   1HD   LYS  18          1HD       LYS  18  -6.847  12.392  -0.273
  153   2HD   LYS  18          2HD       LYS  18  -6.089  11.113   0.655
  154   1HE   LYS  18          1HE       LYS  18  -7.749  11.482   2.503
  155   2HE   LYS  18          2HE       LYS  18  -8.514  12.743   1.556
  156   1HZ   LYS  18          1HZ       LYS  18  -8.969  11.105  -0.144
  157   2HZ   LYS  18          2HZ       LYS  18  -8.257   9.931   0.740
  158   3HZ   LYS  18          3HZ       LYS  18  -9.622  10.646   1.281
  159    H    ASN  19           H        ASN  19  -1.357  14.102   2.558
  160    HA   ASN  19           HA       ASN  19   0.102  14.525   0.076
  161   1HB   ASN  19          1HB       ASN  19   0.742  15.695   2.834
  162   2HB   ASN  19          2HB       ASN  19   1.862  15.734   1.487
  163   1HD2  ASN  19          2HD2      ASN  19   0.328  17.802   3.062
  164   2HD2  ASN  19          1HD2      ASN  19  -0.433  18.817   1.883
  165    H    LEU  20           H        LEU  20  -0.806  12.213   2.017
  166    HA   LEU  20           HA       LEU  20   1.878  11.069   2.330
  167   1HB   LEU  20          1HB       LEU  20  -0.427  11.017   4.271
  168   2HB   LEU  20          2HB       LEU  20   0.885   9.856   4.332
  169    HG   LEU  20           HG       LEU  20   1.289  12.853   4.509
  170   1HD1  LEU  20          1HD1      LEU  20  -0.092  12.068   6.381
  171   2HD1  LEU  20          2HD1      LEU  20   1.139  10.844   6.773
  172   3HD1  LEU  20          3HD1      LEU  20   1.529  12.574   6.916
  173   1HD2  LEU  20          1HD2      LEU  20   3.109  10.474   4.867
  174   2HD2  LEU  20          2HD2      LEU  20   3.308  11.889   3.806
  175   3HD2  LEU  20          3HD2      LEU  20   3.480  12.067   5.569
  176    H    CYS  21           H        CYS  21   1.820   8.618   2.348
  177    HA   CYS  21           HA       CYS  21  -0.340   7.733   0.574
  178   1HB   CYS  21          1HB       CYS  21   2.591   7.021   0.595
  179   2HB   CYS  21          2HB       CYS  21   1.393   6.016  -0.196
  180    H    TYR  22           H        TYR  22  -1.562   6.026   1.352
  181    HA   TYR  22           HA       TYR  22  -0.562   4.732   3.795
  182   1HB   TYR  22          1HB       TYR  22  -2.845   4.775   4.461
  183   2HB   TYR  22          2HB       TYR  22  -2.816   6.197   3.437
  184    HD1  TYR  22           HD1      TYR  22  -3.401   2.497   3.192
  185    HD2  TYR  22           HD2      TYR  22  -4.421   6.399   1.765
  186    HE1  TYR  22           HE1      TYR  22  -5.231   1.495   1.739
  187    HE2  TYR  22           HE2      TYR  22  -6.248   5.385   0.317
  188    HH   TYR  22           HH       TYR  22  -7.311   3.591  -0.240
  189    H    LYS  23           H        LYS  23  -0.692   2.457   4.013
  190    HA   LYS  23           HA       LYS  23  -1.596   0.992   1.661
  191   1HB   LYS  23          1HB       LYS  23   0.403  -0.099   1.255
  192   2HB   LYS  23          2HB       LYS  23   0.938   1.535   1.589
  193   1HG   LYS  23          1HG       LYS  23   1.214   0.783   4.056
  194   2HG   LYS  23          2HG       LYS  23   1.002  -0.857   3.476
  195   1HD   LYS  23          1HD       LYS  23   3.119   1.065   2.400
  196   2HD   LYS  23          2HD       LYS  23   3.425  -0.117   3.657
  197   1HE   LYS  23          1HE       LYS  23   2.629  -1.929   2.043
  198   2HE   LYS  23          2HE       LYS  23   2.543  -0.705   0.793
  199   1HZ   LYS  23          1HZ       LYS  23   4.885  -0.266   1.159
  200   2HZ   LYS  23          2HZ       LYS  23   4.959  -1.430   2.302
  201   3HZ   LYS  23          3HZ       LYS  23   4.642  -1.828   0.750
  202    H    MET  24           H        MET  24  -2.715  -0.836   2.196
  203    HA   MET  24           HA       MET  24  -2.672  -1.496   5.036
  204   1HB   MET  24          1HB       MET  24  -4.845  -0.662   3.929
  205   2HB   MET  24          2HB       MET  24  -4.830  -2.112   2.944
  206   1HG   MET  24          1HG       MET  24  -4.795  -3.486   5.096
  207   2HG   MET  24          2HG       MET  24  -5.001  -1.995   5.993
  208   1HE   MET  24          1HE       MET  24  -6.823  -4.705   5.757
  209   2HE   MET  24          2HE       MET  24  -8.282  -4.534   4.751
  210   3HE   MET  24          3HE       MET  24  -6.697  -4.788   3.983
  211    H    PHE  25           H        PHE  25  -2.016  -3.524   5.672
  212    HA   PHE  25           HA       PHE  25  -2.143  -5.688   3.759
  213   1HB   PHE  25          1HB       PHE  25   0.301  -6.143   4.058
  214   2HB   PHE  25          2HB       PHE  25   0.076  -4.536   3.397
  215    HD1  PHE  25           HD1      PHE  25   0.167  -2.558   5.005
  216    HD2  PHE  25           HD2      PHE  25   1.462  -6.455   6.074
  217    HE1  PHE  25           HE1      PHE  25   1.511  -1.594   6.893
  218    HE2  PHE  25           HE2      PHE  25   2.806  -5.491   7.962
  219    HZ   PHE  25           HZ       PHE  25   2.814  -3.071   8.349
  220    H    MET  26           H        MET  26  -1.229  -7.787   4.890
  221    HA   MET  26           HA       MET  26  -2.486  -7.810   7.479
  222   1HB   MET  26          1HB       MET  26  -1.480  -9.902   5.500
  223   2HB   MET  26          2HB       MET  26  -1.882 -10.380   7.137
  224   1HG   MET  26          1HG       MET  26  -4.010 -10.626   6.328
  225   2HG   MET  26          2HG       MET  26  -4.109  -8.883   6.487
  226   1HE   MET  26          1HE       MET  26  -2.423 -11.507   4.058
  227   2HE   MET  26          2HE       MET  26  -4.158 -11.885   4.182
  228   3HE   MET  26          3HE       MET  26  -3.482 -11.303   2.642
  229    H    VAL  27           H        VAL  27  -1.437  -8.091   9.441
  230    HA   VAL  27           HA       VAL  27   1.338  -7.600   9.516
  231    HB   VAL  27           HB       VAL  27  -0.315  -6.892  11.210
  232   1HG1  VAL  27          1HG1      VAL  27  -1.236  -9.475  11.123
  233   2HG1  VAL  27          2HG1      VAL  27  -0.304  -9.470  12.639
  234   3HG1  VAL  27          3HG1      VAL  27  -1.618  -8.293  12.398
  235   1HG2  VAL  27          1HG2      VAL  27   2.066  -6.932  11.761
  236   2HG2  VAL  27          2HG2      VAL  27   1.087  -7.368  13.183
  237   3HG2  VAL  27          3HG2      VAL  27   1.938  -8.635  12.265
  238    H    ALA  28           H        ALA  28   1.927  -9.399   7.957
  239    HA   ALA  28           HA       ALA  28   3.044 -11.530   9.430
  240   1HB   ALA  28          1HB       ALA  28   0.585 -12.099   7.737
  241   2HB   ALA  28          2HB       ALA  28   1.768 -13.350   8.187
  242   3HB   ALA  28          3HB       ALA  28   0.849 -12.498   9.451
  243    H    ALA  29           H        ALA  29   1.895 -10.249   6.261
  244    HA   ALA  29           HA       ALA  29   4.535 -10.962   5.188
  245   1HB   ALA  29          1HB       ALA  29   1.820 -11.160   3.824
  246   2HB   ALA  29          2HB       ALA  29   3.388 -11.387   3.013
  247   3HB   ALA  29          3HB       ALA  29   2.875 -12.516   4.290
  248    HA   PRO  30           HA       PRO  30   4.157  -6.570   4.715
  249   1HB   PRO  30          1HB       PRO  30   6.833  -6.022   4.809
  250   2HB   PRO  30          2HB       PRO  30   5.814  -6.072   6.235
  251   1HG   PRO  30          1HG       PRO  30   7.792  -8.060   5.299
  252   2HG   PRO  30          2HG       PRO  30   7.090  -7.877   6.894
  253   1HD   PRO  30          1HD       PRO  30   6.397  -9.848   4.928
  254   2HD   PRO  30          2HD       PRO  30   5.617  -9.592   6.476
  255    H    HIS  31           H        HIS  31   5.756  -8.937   2.865
  256    HA   HIS  31           HA       HIS  31   6.186  -7.037   0.716
  257   1HB   HIS  31          1HB       HIS  31   7.937  -8.691   1.329
  258   2HB   HIS  31          2HB       HIS  31   6.846  -9.991   0.890
  259    HD1  HIS  31           HD1      HIS  31   7.166 -10.849  -1.428
  260    HD2  HIS  31           HD2      HIS  31   8.324  -6.833  -1.069
  261    HE1  HIS  31           HE1      HIS  31   8.092 -10.166  -3.706
  262    H    VAL  32           H        VAL  32   3.487  -8.175   1.881
  263    HA   VAL  32           HA       VAL  32   2.402  -8.796  -0.770
  264    HB   VAL  32           HB       VAL  32   1.783 -10.199   1.836
  265   1HG1  VAL  32          1HG1      VAL  32   0.460 -10.399  -0.886
  266   2HG1  VAL  32          2HG1      VAL  32   0.254 -11.602   0.410
  267   3HG1  VAL  32          3HG1      VAL  32  -0.288  -9.925   0.658
  268   1HG2  VAL  32          1HG2      VAL  32   3.012 -11.212  -0.750
  269   2HG2  VAL  32          2HG2      VAL  32   3.850 -10.984   0.803
  270   3HG2  VAL  32          3HG2      VAL  32   2.575 -12.217   0.652
  271    HA   PRO  33           HA       PRO  33   0.167  -5.335   0.925
  272   1HB   PRO  33          1HB       PRO  33  -0.215  -4.025  -1.443
  273   2HB   PRO  33          2HB       PRO  33   1.166  -3.740  -0.402
  274   1HG   PRO  33          1HG       PRO  33   1.043  -5.236  -2.948
  275   2HG   PRO  33          2HG       PRO  33   2.446  -4.583  -2.125
  276   1HD   PRO  33          1HD       PRO  33   1.619  -7.329  -2.194
  277   2HD   PRO  33          2HD       PRO  33   2.954  -6.659  -1.277
  278    H    VAL  34           H        VAL  34  -2.035  -4.345   0.462
  279    HA   VAL  34           HA       VAL  34  -3.666  -6.401  -0.848
  280    HB   VAL  34           HB       VAL  34  -4.296  -5.023   1.770
  281   1HG1  VAL  34          1HG1      VAL  34  -6.292  -5.540   0.452
  282   2HG1  VAL  34          2HG1      VAL  34  -5.750  -7.226   0.266
  283   3HG1  VAL  34          3HG1      VAL  34  -6.185  -6.603   1.876
  284   1HG2  VAL  34          1HG2      VAL  34  -2.437  -6.697   1.922
  285   2HG2  VAL  34          2HG2      VAL  34  -3.881  -7.123   2.872
  286   3HG2  VAL  34          3HG2      VAL  34  -3.566  -7.934   1.319
  287    H    LYS  35           H        LYS  35  -3.771  -3.093   0.665
  288    HA   LYS  35           HA       LYS  35  -5.122  -2.205  -1.784
  289   1HB   LYS  35          1HB       LYS  35  -5.826  -1.401   1.055
  290   2HB   LYS  35          2HB       LYS  35  -6.524  -0.721  -0.400
  291   1HG   LYS  35          1HG       LYS  35  -7.925  -2.497  -0.687
  292   2HG   LYS  35          2HG       LYS  35  -6.638  -3.659  -0.436
  293   1HD   LYS  35          1HD       LYS  35  -6.857  -3.490   1.994
  294   2HD   LYS  35          2HD       LYS  35  -7.963  -2.138   1.854
  295   1HE   LYS  35          1HE       LYS  35  -8.628  -4.808   0.562
  296   2HE   LYS  35          2HE       LYS  35  -8.945  -4.543   2.265
  297   1HZ   LYS  35          1HZ       LYS  35 -10.239  -2.598   1.637
  298   2HZ   LYS  35          2HZ       LYS  35  -9.982  -2.908   0.055
  299   3HZ   LYS  35          3HZ       LYS  35 -10.840  -3.959   0.964
  300    H    ARG  36           H        ARG  36  -4.867   0.186  -2.163
  301    HA   ARG  36           HA       ARG  36  -2.712   1.388  -0.730
  302   1HB   ARG  36          1HB       ARG  36  -2.460   0.838  -3.731
  303   2HB   ARG  36          2HB       ARG  36  -1.342   1.807  -2.792
  304   1HG   ARG  36          1HG       ARG  36  -0.935  -0.235  -1.313
  305   2HG   ARG  36          2HG       ARG  36  -1.912  -1.171  -2.427
  306   1HD   ARG  36          1HD       ARG  36  -0.089   0.184  -4.104
  307   2HD   ARG  36          2HD       ARG  36   0.874  -0.260  -2.708
  308    HE   ARG  36           HE       ARG  36   0.695  -2.509  -3.329
  309   1HH1  ARG  36          1HH1      ARG  36  -1.800  -0.659  -4.983
  310   2HH1  ARG  36          2HH1      ARG  36  -2.311  -1.988  -5.970
  311   1HH2  ARG  36          1HH2      ARG  36   0.022  -4.262  -4.631
  312   2HH2  ARG  36          2HH2      ARG  36  -1.267  -4.051  -5.768
  313    H    GLY  37           H        GLY  37  -3.095   3.601  -0.619
  314   1HA   GLY  37          1HA       GLY  37  -4.358   5.004  -2.798
  315   2HA   GLY  37          2HA       GLY  37  -5.398   4.794  -1.403
  316    H    CYS  38           H        CYS  38  -5.113   7.318  -1.655
  317    HA   CYS  38           HA       CYS  38  -2.659   8.170  -0.337
  318   1HB   CYS  38          1HB       CYS  38  -4.764   9.628  -1.923
  319   2HB   CYS  38          2HB       CYS  38  -3.622  10.487  -0.908
  320    H    ILE  39           H        ILE  39  -2.993   9.927   1.413
  321    HA   ILE  39           HA       ILE  39  -5.535  10.025   2.689
  322    HB   ILE  39           HB       ILE  39  -4.568   7.737   3.284
  323   1HG1  ILE  39          1HG1      ILE  39  -5.108   9.305   5.772
  324   2HG1  ILE  39          2HG1      ILE  39  -6.336   9.300   4.522
  325   1HG2  ILE  39          1HG2      ILE  39  -2.254   8.465   3.662
  326   2HG2  ILE  39          2HG2      ILE  39  -2.790   9.441   5.050
  327   3HG2  ILE  39          3HG2      ILE  39  -2.944   7.669   5.097
  328   1HD1  ILE  39          1HD1      ILE  39  -5.066   6.784   5.697
  329   2HD1  ILE  39          2HD1      ILE  39  -6.647   7.448   6.177
  330   3HD1  ILE  39          3HD1      ILE  39  -6.402   6.839   4.523
  331    H    ASP  40           H        ASP  40  -5.365  11.373   4.758
  332    HA   ASP  40           HA       ASP  40  -3.252  13.312   4.293
  333   1HB   ASP  40          1HB       ASP  40  -5.451  14.300   4.153
  334   2HB   ASP  40          2HB       ASP  40  -5.997  13.469   5.596
  335    H    VAL  41           H        VAL  41  -5.271  11.914   6.999
  336    HA   VAL  41           HA       VAL  41  -2.963  12.251   8.772
  337    HB   VAL  41           HB       VAL  41  -5.222  13.314   9.251
  338   1HG1  VAL  41          1HG1      VAL  41  -6.529  11.260   8.567
  339   2HG1  VAL  41          2HG1      VAL  41  -5.996  10.505  10.088
  340   3HG1  VAL  41          3HG1      VAL  41  -6.996  11.976  10.128
  341   1HG2  VAL  41          1HG2      VAL  41  -3.992  11.440  11.301
  342   2HG2  VAL  41          2HG2      VAL  41  -3.492  13.113  10.953
  343   3HG2  VAL  41          3HG2      VAL  41  -5.090  12.792  11.669
  344    H    CYS  42           H        CYS  42  -1.827  10.491   9.422
  345    HA   CYS  42           HA       CYS  42  -2.474   7.973   8.353
  346   1HB   CYS  42          1HB       CYS  42  -0.176   8.863   8.886
  347   2HB   CYS  42          2HB       CYS  42  -0.519   8.568  10.579
  348    HA   PRO  43           HA       PRO  43  -5.237   6.926  11.616
  349   1HB   PRO  43          1HB       PRO  43  -6.086   4.532  10.608
  350   2HB   PRO  43          2HB       PRO  43  -6.795   6.069  10.154
  351   1HG   PRO  43          1HG       PRO  43  -4.955   4.348   8.608
  352   2HG   PRO  43          2HG       PRO  43  -5.993   5.638   8.035
  353   1HD   PRO  43          1HD       PRO  43  -3.155   5.767   8.433
  354   2HD   PRO  43          2HD       PRO  43  -4.210   7.089   7.971
  355    H    LYS  44           H        LYS  44  -5.761   4.777  12.945
  356    HA   LYS  44           HA       LYS  44  -3.132   4.076  13.953
  357   1HB   LYS  44          1HB       LYS  44  -5.284   4.831  15.294
  358   2HB   LYS  44          2HB       LYS  44  -5.704   3.134  15.176
  359   1HG   LYS  44          1HG       LYS  44  -4.456   3.403  17.228
  360   2HG   LYS  44          2HG       LYS  44  -3.405   2.564  16.104
  361   1HD   LYS  44          1HD       LYS  44  -2.044   4.461  15.737
  362   2HD   LYS  44          2HD       LYS  44  -3.300   5.586  16.218
  363   1HE   LYS  44          1HE       LYS  44  -3.087   4.847  18.585
  364   2HE   LYS  44          2HE       LYS  44  -1.878   3.665  18.125
  365   1HZ   LYS  44          1HZ       LYS  44  -1.617   6.572  17.776
  366   2HZ   LYS  44          2HZ       LYS  44  -0.879   5.682  18.929
  367   3HZ   LYS  44          3HZ       LYS  44  -0.489   5.467  17.358
  368    H    SER  45           H        SER  45  -2.616   1.779  14.457
  369    HA   SER  45           HA       SER  45  -3.629   0.134  12.288
  370   1HB   SER  45          1HB       SER  45  -1.042   0.268  13.816
  371   2HB   SER  45          2HB       SER  45  -1.527  -1.295  13.192
  372    HG   SER  45           HG       SER  45  -1.111   1.142  11.689
  373    H    SER  46           H        SER  46  -3.910  -2.268  12.795
  374    HA   SER  46           HA       SER  46  -4.891  -2.532  15.530
  375   1HB   SER  46          1HB       SER  46  -6.729  -3.775  14.770
  376   2HB   SER  46          2HB       SER  46  -6.556  -2.567  13.512
  377    HG   SER  46           HG       SER  46  -6.820  -4.864  12.790
  378    H    LEU  47           H        LEU  47  -5.245  -5.242  15.767
  379    HA   LEU  47           HA       LEU  47  -2.513  -6.175  15.676
  380   1HB   LEU  47          1HB       LEU  47  -5.050  -7.151  16.964
  381   2HB   LEU  47          2HB       LEU  47  -3.607  -8.143  16.909
  382    HG   LEU  47           HG       LEU  47  -2.397  -6.176  18.032
  383   1HD1  LEU  47          1HD1      LEU  47  -5.269  -5.304  18.391
  384   2HD1  LEU  47          2HD1      LEU  47  -3.942  -4.756  19.443
  385   3HD1  LEU  47          3HD1      LEU  47  -3.909  -4.384  17.703
  386   1HD2  LEU  47          1HD2      LEU  47  -4.541  -7.693  19.544
  387   2HD2  LEU  47          2HD2      LEU  47  -2.894  -8.260  19.182
  388   3HD2  LEU  47          3HD2      LEU  47  -3.138  -6.873  20.270
  389    H    LEU  48           H        LEU  48  -5.326  -6.276  13.702
  390    HA   LEU  48           HA       LEU  48  -4.517  -8.813  12.504
  391   1HB   LEU  48          1HB       LEU  48  -6.943  -8.057  13.196
  392   2HB   LEU  48          2HB       LEU  48  -6.907  -7.235  11.649
  393    HG   LEU  48           HG       LEU  48  -6.501 -10.207  12.086
  394   1HD1  LEU  48          1HD1      LEU  48  -8.807  -9.505  12.483
  395   2HD1  LEU  48          2HD1      LEU  48  -8.845  -8.695  10.899
  396   3HD1  LEU  48          3HD1      LEU  48  -8.674 -10.465  10.990
  397   1HD2  LEU  48          1HD2      LEU  48  -6.489  -8.545   9.558
  398   2HD2  LEU  48          2HD2      LEU  48  -5.191  -9.580  10.201
  399   3HD2  LEU  48          3HD2      LEU  48  -6.689 -10.313   9.580
  400    H    VAL  49           H        VAL  49  -5.695  -5.614  11.241
  401    HA   VAL  49           HA       VAL  49  -3.849  -5.959   9.012
  402    HB   VAL  49           HB       VAL  49  -5.148  -4.275   7.920
  403   1HG1  VAL  49          1HG1      VAL  49  -6.055  -6.564   7.920
  404   2HG1  VAL  49          2HG1      VAL  49  -6.999  -6.189   9.382
  405   3HG1  VAL  49          3HG1      VAL  49  -7.350  -5.345   7.855
  406   1HG2  VAL  49          1HG2      VAL  49  -5.495  -2.785   9.860
  407   2HG2  VAL  49          2HG2      VAL  49  -7.008  -3.100   8.977
  408   3HG2  VAL  49          3HG2      VAL  49  -6.687  -3.933  10.516
  409    H    LYS  50           H        LYS  50  -2.673  -3.918   8.257
  410    HA   LYS  50           HA       LYS  50  -2.023  -2.134  10.461
  411   1HB   LYS  50          1HB       LYS  50  -0.424  -4.342   9.963
  412   2HB   LYS  50          2HB       LYS  50   0.379  -3.072   9.062
  413   1HG   LYS  50          1HG       LYS  50   1.341  -2.687  11.133
  414   2HG   LYS  50          2HG       LYS  50  -0.070  -1.662  11.306
  415   1HD   LYS  50          1HD       LYS  50  -1.275  -3.396  12.535
  416   2HD   LYS  50          2HD       LYS  50  -0.035  -4.584  12.185
  417   1HE   LYS  50          1HE       LYS  50   0.698  -2.033  13.658
  418   2HE   LYS  50          2HE       LYS  50  -0.046  -3.358  14.531
  419   1HZ   LYS  50          1HZ       LYS  50   1.714  -4.790  13.732
  420   2HZ   LYS  50          2HZ       LYS  50   2.410  -3.550  12.929
  421   3HZ   LYS  50          3HZ       LYS  50   2.332  -3.526  14.560
  422    H    TYR  51           H        TYR  51  -1.831  -0.054   9.766
  423    HA   TYR  51           HA       TYR  51  -1.718   0.309   6.850
  424   1HB   TYR  51          1HB       TYR  51  -2.848   1.931   9.214
  425   2HB   TYR  51          2HB       TYR  51  -2.831   2.544   7.572
  426    HD1  TYR  51           HD1      TYR  51  -4.266   1.489   5.824
  427    HD2  TYR  51           HD2      TYR  51  -4.484   0.313   9.932
  428    HE1  TYR  51           HE1      TYR  51  -6.511   0.376   5.394
  429    HE2  TYR  51           HE2      TYR  51  -6.729  -0.796   9.488
  430    HH   TYR  51           HH       TYR  51  -8.303  -1.154   8.053
  431    H    VAL  52           H        VAL  52   0.478   0.559   6.441
  432    HA   VAL  52           HA       VAL  52   1.989   2.319   8.188
  433    HB   VAL  52           HB       VAL  52   2.602   0.355   6.013
  434   1HG1  VAL  52          1HG1      VAL  52   4.426   2.587   6.950
  435   2HG1  VAL  52          2HG1      VAL  52   5.018   1.100   6.170
  436   3HG1  VAL  52          3HG1      VAL  52   3.931   2.196   5.285
  437   1HG2  VAL  52          1HG2      VAL  52   2.450  -0.259   8.464
  438   2HG2  VAL  52          2HG2      VAL  52   3.985  -0.673   7.663
  439   3HG2  VAL  52          3HG2      VAL  52   3.892   0.751   8.727
  440    H    CYS  53           H        CYS  53   2.537   4.406   7.702
  441    HA   CYS  53           HA       CYS  53   1.676   5.336   5.060
  442   1HB   CYS  53          1HB       CYS  53   1.950   7.085   7.497
  443   2HB   CYS  53          2HB       CYS  53   1.138   7.440   5.985
  444    H    CYS  54           H        CYS  54   3.109   6.891   3.992
  445    HA   CYS  54           HA       CYS  54   5.678   7.326   5.244
  446   1HB   CYS  54          1HB       CYS  54   6.531   6.605   2.757
  447   2HB   CYS  54          2HB       CYS  54   6.654   5.624   4.205
  448    H    ASN  55           H        ASN  55   6.810   9.140   4.216
  449    HA   ASN  55           HA       ASN  55   4.973  10.710   2.599
  450   1HB   ASN  55          1HB       ASN  55   6.420  12.664   3.348
  451   2HB   ASN  55          2HB       ASN  55   5.613  11.842   4.669
  452   1HD2  ASN  55          2HD2      ASN  55   8.445  13.132   3.671
  453   2HD2  ASN  55          1HD2      ASN  55   9.583  12.275   4.657
  454    H    THR  56           H        THR  56   6.222   8.791   1.102
  455    HA   THR  56           HA       THR  56   8.285  10.310  -0.325
  456    HB   THR  56           HB       THR  56   9.368   7.917  -0.615
  457    HG1  THR  56           HG1      THR  56   8.754   6.576   1.233
  458   1HG2  THR  56          1HG2      THR  56  10.352   9.792   0.828
  459   2HG2  THR  56          2HG2      THR  56   9.406   9.143   2.189
  460   3HG2  THR  56          3HG2      THR  56  10.678   8.151   1.436
  461    H    ASP  57           H        ASP  57   8.502   9.743  -2.590
  462    HA   ASP  57           HA       ASP  57   5.968   9.349  -3.714
  463   1HB   ASP  57          1HB       ASP  57   8.768   9.362  -4.932
  464   2HB   ASP  57          2HB       ASP  57   7.306   9.303  -5.895
  465    H    LYS  58           H        LYS  58   5.117   7.468  -4.767
  466    HA   LYS  58           HA       LYS  58   4.790   5.276  -4.951
  467   1HB   LYS  58          1HB       LYS  58   7.600   5.446  -6.081
  468   2HB   LYS  58          2HB       LYS  58   6.493   4.111  -6.328
  469   1HG   LYS  58          1HG       LYS  58   4.821   5.768  -7.306
  470   2HG   LYS  58          2HG       LYS  58   6.055   7.007  -7.192
  471   1HD   LYS  58          1HD       LYS  58   6.365   6.267  -9.393
  472   2HD   LYS  58          2HD       LYS  58   7.553   5.299  -8.543
  473   1HE   LYS  58          1HE       LYS  58   5.938   3.401  -8.415
  474   2HE   LYS  58          2HE       LYS  58   4.721   4.369  -9.223
  475   1HZ   LYS  58          1HZ       LYS  58   7.322   3.623 -10.370
  476   2HZ   LYS  58          2HZ       LYS  58   5.884   2.954 -10.758
  477   3HZ   LYS  58          3HZ       LYS  58   6.182   4.518 -11.123
  478    H    CYS  59           H        CYS  59   5.138   5.745  -2.344
  479    HA   CYS  59           HA       CYS  59   7.307   4.102  -1.377
  480   1HB   CYS  59          1HB       CYS  59   6.981   5.042   0.670
  481   2HB   CYS  59          2HB       CYS  59   6.418   6.336  -0.368
  482    H    ASN  60           H        ASN  60   3.685   4.226  -1.456
  483    HA   ASN  60           HA       ASN  60   3.524   1.650  -0.243
  484   1HB   ASN  60          1HB       ASN  60   1.074   1.952  -0.514
  485   2HB   ASN  60          2HB       ASN  60   1.785   3.406   0.158
  486   1HD2  ASN  60          2HD2      ASN  60  -0.686   3.202  -1.217
  487   2HD2  ASN  60          1HD2      ASN  60  -0.616   4.174  -2.649
  488   1H    HOH  61          1H        HOH  61  -0.420  -8.929   2.612
  489   2H    HOH  61          2H        HOH  61  -0.793  -9.815   3.781
  490   1H    HOH  62          1H        HOH  62   5.197  -9.192   8.434
  491   2H    HOH  62          2H        HOH  62   4.935  -7.815   7.863
  Start of MODEL    2
    1    H    LEU   1           H        LEU   1   4.357  15.011  -5.587
    2    HA   LEU   1           HA       LEU   1   3.426  13.310  -4.056
    3   1HB   LEU   1          1HB       LEU   1   1.648  15.577  -4.958
    4   2HB   LEU   1          2HB       LEU   1   1.354  14.618  -3.521
    5    HG   LEU   1           HG       LEU   1   3.923  16.153  -3.956
    6   1HD1  LEU   1          1HD1      LEU   1   1.411  17.093  -2.545
    7   2HD1  LEU   1          2HD1      LEU   1   2.987  17.919  -2.525
    8   3HD1  LEU   1          3HD1      LEU   1   2.091  17.748  -4.054
    9   1HD2  LEU   1          1HD2      LEU   1   2.635  14.886  -1.529
   10   2HD2  LEU   1          2HD2      LEU   1   4.174  14.447  -2.309
   11   3HD2  LEU   1          3HD2      LEU   1   4.021  16.000  -1.454
   12    H    LYS   2           H        LYS   2   3.435  11.529  -5.921
   13    HA   LYS   2           HA       LYS   2   0.621  10.785  -6.220
   14   1HB   LYS   2          1HB       LYS   2   0.967  10.052  -8.491
   15   2HB   LYS   2          2HB       LYS   2   1.390  11.747  -8.360
   16   1HG   LYS   2          1HG       LYS   2   3.811  11.120  -8.153
   17   2HG   LYS   2          2HG       LYS   2   3.380   9.428  -8.305
   18   1HD   LYS   2          1HD       LYS   2   2.598  11.467 -10.428
   19   2HD   LYS   2          2HD       LYS   2   4.158  10.669 -10.455
   20   1HE   LYS   2          1HE       LYS   2   2.947   8.432 -10.406
   21   2HE   LYS   2          2HE       LYS   2   1.430   9.297 -10.542
   22   1HZ   LYS   2          1HZ       LYS   2   2.235  10.247 -12.605
   23   2HZ   LYS   2          2HZ       LYS   2   3.634   9.414 -12.482
   24   3HZ   LYS   2          3HZ       LYS   2   2.223   8.616 -12.681
   25    H    CYS   3           H        CYS   3   0.237   8.492  -6.189
   26    HA   CYS   3           HA       CYS   3   2.575   6.883  -5.545
   27   1HB   CYS   3          1HB       CYS   3   0.308   7.496  -3.722
   28   2HB   CYS   3          2HB       CYS   3   0.859   5.833  -3.768
   29    H    LYS   4           H        LYS   4   1.504   4.433  -5.210
   30    HA   LYS   4           HA       LYS   4   0.030   4.045  -7.691
   31   1HB   LYS   4          1HB       LYS   4   1.521   2.100  -5.904
   32   2HB   LYS   4          2HB       LYS   4   0.691   1.664  -7.384
   33   1HG   LYS   4          1HG       LYS   4   2.135   3.314  -8.640
   34   2HG   LYS   4          2HG       LYS   4   3.002   3.651  -7.154
   35   1HD   LYS   4          1HD       LYS   4   3.636   1.220  -6.996
   36   2HD   LYS   4          2HD       LYS   4   2.807   0.919  -8.510
   37   1HE   LYS   4          1HE       LYS   4   4.327   2.556  -9.658
   38   2HE   LYS   4          2HE       LYS   4   5.166   2.828  -8.144
   39   1HZ   LYS   4          1HZ       LYS   4   5.736   0.493  -8.111
   40   2HZ   LYS   4          2HZ       LYS   4   4.956   0.241  -9.523
   41   3HZ   LYS   4          3HZ       LYS   4   6.281   1.195  -9.480
   42    H    LYS   5           H        LYS   5  -1.820   2.529  -7.738
   43    HA   LYS   5           HA       LYS   5  -3.449   2.955  -5.366
   44   1HB   LYS   5          1HB       LYS   5  -4.171   2.009  -8.157
   45   2HB   LYS   5          2HB       LYS   5  -5.312   2.267  -6.852
   46   1HG   LYS   5          1HG       LYS   5  -3.977   4.671  -6.811
   47   2HG   LYS   5          2HG       LYS   5  -3.839   4.271  -8.511
   48   1HD   LYS   5          1HD       LYS   5  -5.919   5.216  -8.673
   49   2HD   LYS   5          2HD       LYS   5  -6.483   3.661  -8.095
   50   1HE   LYS   5          1HE       LYS   5  -5.776   6.001  -6.261
   51   2HE   LYS   5          2HE       LYS   5  -7.404   5.645  -6.805
   52   1HZ   LYS   5          1HZ       LYS   5  -7.099   3.416  -5.820
   53   2HZ   LYS   5          2HZ       LYS   5  -5.683   3.914  -5.176
   54   3HZ   LYS   5          3HZ       LYS   5  -7.081   4.627  -4.724
   55    H    LEU   6           H        LEU   6  -5.221   0.790  -5.561
   56    HA   LEU   6           HA       LEU   6  -3.972  -1.112  -4.047
   57   1HB   LEU   6          1HB       LEU   6  -6.440  -1.152  -5.760
   58   2HB   LEU   6          2HB       LEU   6  -5.932  -2.578  -4.875
   59    HG   LEU   6           HG       LEU   6  -5.907  -0.991  -2.801
   60   1HD1  LEU   6          1HD1      LEU   6  -7.511   0.600  -4.800
   61   2HD1  LEU   6          2HD1      LEU   6  -7.774   0.743  -3.045
   62   3HD1  LEU   6          3HD1      LEU   6  -6.184   1.137  -3.742
   63   1HD2  LEU   6          1HD2      LEU   6  -8.478  -1.941  -4.095
   64   2HD2  LEU   6          2HD2      LEU   6  -7.405  -2.880  -3.029
   65   3HD2  LEU   6          3HD2      LEU   6  -8.292  -1.477  -2.386
   66    H    VAL   7           H        VAL   7  -4.453  -1.031  -7.627
   67    HA   VAL   7           HA       VAL   7  -2.758  -3.407  -7.813
   68    HB   VAL   7           HB       VAL   7  -4.440  -2.009  -9.903
   69   1HG1  VAL   7          1HG1      VAL   7  -2.508  -3.335 -10.770
   70   2HG1  VAL   7          2HG1      VAL   7  -3.182  -4.772  -9.965
   71   3HG1  VAL   7          3HG1      VAL   7  -4.093  -3.972 -11.268
   72   1HG2  VAL   7          1HG2      VAL   7  -5.032  -4.423  -8.163
   73   2HG2  VAL   7          2HG2      VAL   7  -5.913  -2.877  -8.215
   74   3HG2  VAL   7          3HG2      VAL   7  -5.968  -3.980  -9.611
   75    HA   PRO   8           HA       PRO   8   0.528  -0.850  -9.027
   76   1HB   PRO   8          1HB       PRO   8   2.288  -2.776  -9.841
   77   2HB   PRO   8          2HB       PRO   8   2.074  -2.320  -8.162
   78   1HG   PRO   8          1HG       PRO   8   1.117  -4.741  -9.561
   79   2HG   PRO   8          2HG       PRO   8   1.290  -4.464  -7.839
   80   1HD   PRO   8          1HD       PRO   8  -1.151  -4.441  -9.345
   81   2HD   PRO   8          2HD       PRO   8  -0.963  -4.050  -7.647
   82    H    LEU   9           H        LEU   9  -1.419  -0.478 -10.744
   83    HA   LEU   9           HA       LEU   9   0.056  -0.607 -13.257
   84   1HB   LEU   9          1HB       LEU   9  -2.674  -1.745 -12.735
   85   2HB   LEU   9          2HB       LEU   9  -2.241  -1.146 -14.324
   86    HG   LEU   9           HG       LEU   9  -0.408  -3.113 -13.007
   87   1HD1  LEU   9          1HD1      LEU   9  -3.212  -3.662 -13.802
   88   2HD1  LEU   9          2HD1      LEU   9  -1.984  -4.822 -14.362
   89   3HD1  LEU   9          3HD1      LEU   9  -2.162  -4.484 -12.624
   90   1HD2  LEU   9          1HD2      LEU   9   0.192  -2.064 -15.152
   91   2HD2  LEU   9          2HD2      LEU   9  -0.010  -3.826 -15.294
   92   3HD2  LEU   9          3HD2      LEU   9  -1.286  -2.733 -15.883
   93    H    PHE  10           H        PHE  10  -2.796   0.624 -11.407
   94    HA   PHE  10           HA       PHE  10  -2.720   3.022 -13.070
   95   1HB   PHE  10          1HB       PHE  10  -4.646   1.724 -11.070
   96   2HB   PHE  10          2HB       PHE  10  -4.894   3.380 -11.587
   97    HD1  PHE  10           HD1      PHE  10  -4.998  -0.127 -12.609
   98    HD2  PHE  10           HD2      PHE  10  -5.602   3.883 -13.859
   99    HE1  PHE  10           HE1      PHE  10  -6.238  -0.944 -14.633
  100    HE2  PHE  10           HE2      PHE  10  -6.842   3.066 -15.883
  101    HZ   PHE  10           HZ       PHE  10  -7.145   0.662 -16.246
  102    H    SER  11           H        SER  11  -2.138   5.027 -12.275
  103    HA   SER  11           HA       SER  11  -1.465   5.063  -9.436
  104   1HB   SER  11          1HB       SER  11   0.213   6.922 -10.250
  105   2HB   SER  11          2HB       SER  11   0.636   5.232 -10.441
  106    HG   SER  11           HG       SER  11  -0.400   7.030 -12.455
  107    H    LYS  12           H        LYS  12  -1.826   7.123  -8.313
  108    HA   LYS  12           HA       LYS  12  -3.417   9.056  -9.818
  109   1HB   LYS  12          1HB       LYS  12  -4.630   7.180  -8.211
  110   2HB   LYS  12          2HB       LYS  12  -4.423   8.520  -7.101
  111   1HG   LYS  12          1HG       LYS  12  -6.506   8.989  -8.121
  112   2HG   LYS  12          2HG       LYS  12  -5.394  10.018  -9.002
  113   1HD   LYS  12          1HD       LYS  12  -5.294   8.459 -10.869
  114   2HD   LYS  12          2HD       LYS  12  -6.140   7.221  -9.961
  115   1HE   LYS  12          1HE       LYS  12  -7.741   8.249 -11.476
  116   2HE   LYS  12          2HE       LYS  12  -8.161   8.740  -9.847
  117   1HZ   LYS  12          1HZ       LYS  12  -6.477  10.367 -11.617
  118   2HZ   LYS  12          2HZ       LYS  12  -8.096  10.549 -11.504
  119   3HZ   LYS  12          3HZ       LYS  12  -7.150  10.822 -10.201
  120    H    THR  13           H        THR  13  -3.617  11.166  -8.586
  121    HA   THR  13           HA       THR  13  -1.180  11.556  -6.975
  122    HB   THR  13           HB       THR  13  -2.638  13.483  -8.861
  123    HG1  THR  13           HG1      THR  13  -1.502  11.791  -9.985
  124   1HG2  THR  13          1HG2      THR  13  -1.215  14.471  -6.917
  125   2HG2  THR  13          2HG2      THR  13   0.178  13.687  -7.699
  126   3HG2  THR  13          3HG2      THR  13  -0.740  14.941  -8.567
  127    H    CYS  14           H        CYS  14  -1.413  12.161  -4.916
  128    HA   CYS  14           HA       CYS  14  -3.977  12.399  -3.823
  129   1HB   CYS  14          1HB       CYS  14  -1.502  13.417  -2.457
  130   2HB   CYS  14          2HB       CYS  14  -2.928  12.679  -1.755
  131    HA   PRO  15           HA       PRO  15  -4.416  16.653  -4.908
  132   1HB   PRO  15          1HB       PRO  15  -7.044  16.915  -4.203
  133   2HB   PRO  15          2HB       PRO  15  -6.526  16.329  -5.771
  134   1HG   PRO  15          1HG       PRO  15  -7.634  14.802  -3.496
  135   2HG   PRO  15          2HG       PRO  15  -7.513  14.330  -5.179
  136   1HD   PRO  15          1HD       PRO  15  -5.835  13.451  -3.025
  137   2HD   PRO  15          2HD       PRO  15  -5.644  13.071  -4.725
  138    H    ALA  16           H        ALA  16  -5.542  18.688  -3.780
  139    HA   ALA  16           HA       ALA  16  -3.992  19.189  -1.569
  140   1HB   ALA  16          1HB       ALA  16  -6.682  20.366  -2.378
  141   2HB   ALA  16          2HB       ALA  16  -5.548  21.099  -1.217
  142   3HB   ALA  16          3HB       ALA  16  -5.080  20.916  -2.925
  143    H    GLY  17           H        GLY  17  -4.149  18.817   0.620
  144   1HA   GLY  17          1HA       GLY  17  -5.567  18.530   2.545
  145   2HA   GLY  17          2HA       GLY  17  -6.641  17.544   1.573
  146    H    LYS  18           H        LYS  18  -4.693  15.961   0.151
  147    HA   LYS  18           HA       LYS  18  -3.598  14.426   2.404
  148   1HB   LYS  18          1HB       LYS  18  -4.572  13.410  -0.283
  149   2HB   LYS  18          2HB       LYS  18  -3.919  12.431   1.015
  150   1HG   LYS  18          1HG       LYS  18  -5.772  12.973   2.485
  151   2HG   LYS  18          2HG       LYS  18  -6.339  14.241   1.416
  152   1HD   LYS  18          1HD       LYS  18  -7.022  12.641  -0.275
  153   2HD   LYS  18          2HD       LYS  18  -6.182  11.329   0.528
  154   1HE   LYS  18          1HE       LYS  18  -8.574  11.143   1.012
  155   2HE   LYS  18          2HE       LYS  18  -7.733  11.554   2.493
  156   1HZ   LYS  18          1HZ       LYS  18  -8.960  13.575   0.756
  157   2HZ   LYS  18          2HZ       LYS  18  -9.744  12.883   2.010
  158   3HZ   LYS  18          3HZ       LYS  18  -8.406  13.781   2.278
  159    H    ASN  19           H        ASN  19  -1.424  14.364   2.543
  160    HA   ASN  19           HA       ASN  19   0.025  14.719   0.041
  161   1HB   ASN  19          1HB       ASN  19   0.704  15.917   2.779
  162   2HB   ASN  19          2HB       ASN  19   1.771  15.983   1.391
  163   1HD2  ASN  19          2HD2      ASN  19   0.326  18.045   3.003
  164   2HD2  ASN  19          1HD2      ASN  19  -0.528  19.033   1.865
  165    H    LEU  20           H        LEU  20  -0.859  12.402   1.944
  166    HA   LEU  20           HA       LEU  20   1.833  11.294   2.299
  167   1HB   LEU  20          1HB       LEU  20  -0.477  11.209   4.236
  168   2HB   LEU  20          2HB       LEU  20   0.880  10.103   4.316
  169    HG   LEU  20           HG       LEU  20   1.163  13.115   4.454
  170   1HD1  LEU  20          1HD1      LEU  20  -0.193  12.300   6.332
  171   2HD1  LEU  20          2HD1      LEU  20   1.086  11.133   6.745
  172   3HD1  LEU  20          3HD1      LEU  20   1.403  12.880   6.865
  173   1HD2  LEU  20          1HD2      LEU  20   3.077  10.817   4.861
  174   2HD2  LEU  20          2HD2      LEU  20   3.220  12.214   3.767
  175   3HD2  LEU  20          3HD2      LEU  20   3.380  12.441   5.525
  176    H    CYS  21           H        CYS  21   1.758   8.824   2.394
  177    HA   CYS  21           HA       CYS  21  -0.393   7.905   0.628
  178   1HB   CYS  21          1HB       CYS  21   2.535   7.159   0.618
  179   2HB   CYS  21          2HB       CYS  21   1.303   6.246  -0.230
  180    H    TYR  22           H        TYR  22  -1.606   6.245   1.497
  181    HA   TYR  22           HA       TYR  22  -0.555   4.999   3.936
  182   1HB   TYR  22          1HB       TYR  22  -2.849   4.947   4.561
  183   2HB   TYR  22          2HB       TYR  22  -2.869   6.345   3.504
  184    HD1  TYR  22           HD1      TYR  22  -3.270   2.616   3.333
  185    HD2  TYR  22           HD2      TYR  22  -4.454   6.432   1.804
  186    HE1  TYR  22           HE1      TYR  22  -5.023   1.495   1.873
  187    HE2  TYR  22           HE2      TYR  22  -6.204   5.298   0.349
  188    HH   TYR  22           HH       TYR  22  -7.148   3.442  -0.209
  189    H    LYS  23           H        LYS  23  -0.584   2.725   4.208
  190    HA   LYS  23           HA       LYS  23  -1.367   1.167   1.871
  191   1HB   LYS  23          1HB       LYS  23   0.688   0.156   1.541
  192   2HB   LYS  23          2HB       LYS  23   1.139   1.822   1.843
  193   1HG   LYS  23          1HG       LYS  23   1.449   1.191   4.309
  194   2HG   LYS  23          2HG       LYS  23   1.220  -0.482   3.843
  195   1HD   LYS  23          1HD       LYS  23   3.116   0.152   2.025
  196   2HD   LYS  23          2HD       LYS  23   3.515   1.367   3.223
  197   1HE   LYS  23          1HE       LYS  23   4.125  -0.218   4.844
  198   2HE   LYS  23          2HE       LYS  23   3.075  -1.457   4.188
  199   1HZ   LYS  23          1HZ       LYS  23   5.540  -0.488   2.914
  200   2HZ   LYS  23          2HZ       LYS  23   5.378  -1.902   3.715
  201   3HZ   LYS  23          3HZ       LYS  23   4.566  -1.656   2.319
  202    H    MET  24           H        MET  24  -2.399  -0.712   2.421
  203    HA   MET  24           HA       MET  24  -2.388  -1.307   5.276
  204   1HB   MET  24          1HB       MET  24  -4.565  -0.576   4.024
  205   2HB   MET  24          2HB       MET  24  -4.498  -2.129   3.215
  206   1HG   MET  24          1HG       MET  24  -4.182  -2.330   6.161
  207   2HG   MET  24          2HG       MET  24  -5.720  -1.645   5.675
  208   1HE   MET  24          1HE       MET  24  -7.401  -3.366   6.190
  209   2HE   MET  24          2HE       MET  24  -7.601  -2.900   4.484
  210   3HE   MET  24          3HE       MET  24  -7.742  -4.609   4.963
  211    H    PHE  25           H        PHE  25  -1.539  -3.245   5.927
  212    HA   PHE  25           HA       PHE  25  -1.283  -5.315   3.861
  213   1HB   PHE  25          1HB       PHE  25   0.592  -4.145   5.955
  214   2HB   PHE  25          2HB       PHE  25   0.780  -5.840   5.554
  215    HD1  PHE  25           HD1      PHE  25   0.427  -2.561   3.795
  216    HD2  PHE  25           HD2      PHE  25   2.287  -6.374   3.898
  217    HE1  PHE  25           HE1      PHE  25   1.820  -1.936   1.802
  218    HE2  PHE  25           HE2      PHE  25   3.679  -5.749   1.905
  219    HZ   PHE  25           HZ       PHE  25   3.429  -3.537   0.881
  220    H    MET  26           H        MET  26  -1.513  -7.512   4.565
  221    HA   MET  26           HA       MET  26  -3.057  -7.677   7.004
  222   1HB   MET  26          1HB       MET  26  -2.751  -9.272   4.462
  223   2HB   MET  26          2HB       MET  26  -3.175 -10.186   5.895
  224   1HG   MET  26          1HG       MET  26  -5.176  -9.361   4.572
  225   2HG   MET  26          2HG       MET  26  -5.186  -8.867   6.254
  226   1HE   MET  26          1HE       MET  26  -6.618  -7.833   3.608
  227   2HE   MET  26          2HE       MET  26  -7.088  -6.883   5.038
  228   3HE   MET  26          3HE       MET  26  -6.514  -6.056   3.571
  229    H    VAL  27           H        VAL  27  -2.413  -8.817   8.829
  230    HA   VAL  27           HA       VAL  27   0.329  -9.398   9.094
  231    HB   VAL  27           HB       VAL  27  -1.213  -8.617  10.877
  232   1HG1  VAL  27          1HG1      VAL  27  -2.962 -10.471  10.088
  233   2HG1  VAL  27          2HG1      VAL  27  -2.146 -11.416  11.357
  234   3HG1  VAL  27          3HG1      VAL  27  -2.918  -9.864  11.760
  235   1HG2  VAL  27          1HG2      VAL  27   0.275 -11.204  11.442
  236   2HG2  VAL  27          2HG2      VAL  27   0.961  -9.561  11.452
  237   3HG2  VAL  27          3HG2      VAL  27  -0.253 -10.026  12.668
  238    H    ALA  28           H        ALA  28   0.502 -10.821   7.122
  239    HA   ALA  28           HA       ALA  28   0.577 -13.524   7.954
  240   1HB   ALA  28          1HB       ALA  28  -1.572 -12.676   5.976
  241   2HB   ALA  28          2HB       ALA  28  -1.001 -14.353   6.152
  242   3HB   ALA  28          3HB       ALA  28  -1.793 -13.534   7.520
  243    H    ALA  29           H        ALA  29   0.514 -11.122   5.265
  244    HA   ALA  29           HA       ALA  29   2.878 -12.495   4.186
  245   1HB   ALA  29          1HB       ALA  29   0.583 -11.173   2.682
  246   2HB   ALA  29          2HB       ALA  29   2.075 -11.792   1.934
  247   3HB   ALA  29          3HB       ALA  29   0.951 -12.914   2.737
  248    HA   PRO  30           HA       PRO  30   3.878  -8.217   5.259
  249   1HB   PRO  30          1HB       PRO  30   6.126  -8.730   6.726
  250   2HB   PRO  30          2HB       PRO  30   4.538  -8.537   7.441
  251   1HG   PRO  30          1HG       PRO  30   6.086 -11.018   7.007
  252   2HG   PRO  30          2HG       PRO  30   4.725 -10.746   8.077
  253   1HD   PRO  30          1HD       PRO  30   4.678 -12.102   5.549
  254   2HD   PRO  30          2HD       PRO  30   3.299 -11.728   6.565
  255    H    HIS  31           H        HIS  31   4.094  -8.917   2.769
  256    HA   HIS  31           HA       HIS  31   6.732  -7.947   2.164
  257   1HB   HIS  31          1HB       HIS  31   7.230 -10.289   2.276
  258   2HB   HIS  31          2HB       HIS  31   5.816 -10.706   1.328
  259    HD1  HIS  31           HD1      HIS  31   6.544 -11.465  -0.928
  260    HD2  HIS  31           HD2      HIS  31   8.853  -8.250   0.461
  261    HE1  HIS  31           HE1      HIS  31   8.198 -10.915  -2.792
  262    H    VAL  32           H        VAL  32   3.613  -9.319   0.945
  263    HA   VAL  32           HA       VAL  32   3.759  -7.415  -1.274
  264    HB   VAL  32           HB       VAL  32   1.916  -9.772  -0.834
  265   1HG1  VAL  32          1HG1      VAL  32   1.038  -7.996  -2.331
  266   2HG1  VAL  32          2HG1      VAL  32   2.486  -8.173  -3.352
  267   3HG1  VAL  32          3HG1      VAL  32   1.346  -9.529  -3.181
  268   1HG2  VAL  32          1HG2      VAL  32   4.511  -9.549  -2.389
  269   2HG2  VAL  32          2HG2      VAL  32   4.145 -10.634  -1.026
  270   3HG2  VAL  32          3HG2      VAL  32   3.340 -10.873  -2.595
  271    HA   PRO  33           HA       PRO  33   0.805  -4.999   0.788
  272   1HB   PRO  33          1HB       PRO  33   0.232  -3.232  -1.217
  273   2HB   PRO  33          2HB       PRO  33   1.624  -3.070  -0.165
  274   1HG   PRO  33          1HG       PRO  33   1.522  -3.967  -2.980
  275   2HG   PRO  33          2HG       PRO  33   2.900  -3.397  -2.059
  276   1HD   PRO  33          1HD       PRO  33   2.289  -6.119  -2.727
  277   2HD   PRO  33          2HD       PRO  33   3.601  -5.559  -1.709
  278    H    VAL  34           H        VAL  34  -1.454  -4.436   0.926
  279    HA   VAL  34           HA       VAL  34  -2.963  -6.323  -0.736
  280    HB   VAL  34           HB       VAL  34  -3.594  -5.084   1.950
  281   1HG1  VAL  34          1HG1      VAL  34  -5.235  -6.569  -0.005
  282   2HG1  VAL  34          2HG1      VAL  34  -5.303  -7.201   1.658
  283   3HG1  VAL  34          3HG1      VAL  34  -5.723  -5.502   1.334
  284   1HG2  VAL  34          1HG2      VAL  34  -2.644  -7.848   1.149
  285   2HG2  VAL  34          2HG2      VAL  34  -1.859  -6.692   2.251
  286   3HG2  VAL  34          3HG2      VAL  34  -3.379  -7.485   2.729
  287    H    LYS  35           H        LYS  35  -3.217  -3.049   0.826
  288    HA   LYS  35           HA       LYS  35  -4.663  -2.201  -1.583
  289   1HB   LYS  35          1HB       LYS  35  -5.371  -1.489   1.280
  290   2HB   LYS  35          2HB       LYS  35  -6.122  -0.815  -0.153
  291   1HG   LYS  35          1HG       LYS  35  -7.350  -2.716  -0.573
  292   2HG   LYS  35          2HG       LYS  35  -6.046  -3.791  -0.109
  293   1HD   LYS  35          1HD       LYS  35  -6.518  -3.455   2.269
  294   2HD   LYS  35          2HD       LYS  35  -7.667  -2.180   1.914
  295   1HE   LYS  35          1HE       LYS  35  -8.064  -4.975   0.786
  296   2HE   LYS  35          2HE       LYS  35  -8.580  -4.590   2.416
  297   1HZ   LYS  35          1HZ       LYS  35  -9.878  -2.769   1.480
  298   2HZ   LYS  35          2HZ       LYS  35  -9.442  -3.210  -0.031
  299   3HZ   LYS  35          3HZ       LYS  35 -10.347  -4.216   0.884
  300    H    ARG  36           H        ARG  36  -4.486   0.156  -2.008
  301    HA   ARG  36           HA       ARG  36  -2.436   1.499  -0.544
  302   1HB   ARG  36          1HB       ARG  36  -2.079   1.025  -3.545
  303   2HB   ARG  36          2HB       ARG  36  -0.988   1.918  -2.504
  304   1HG   ARG  36          1HG       ARG  36  -0.487  -0.131  -1.208
  305   2HG   ARG  36          2HG       ARG  36  -1.655  -1.042  -2.145
  306   1HD   ARG  36          1HD       ARG  36   0.327   0.366  -3.840
  307   2HD   ARG  36          2HD       ARG  36   1.065  -0.784  -2.743
  308    HE   ARG  36           HE       ARG  36  -1.292  -1.809  -4.184
  309   1HH1  ARG  36          1HH1      ARG  36   2.212  -1.488  -4.159
  310   2HH1  ARG  36          2HH1      ARG  36   2.469  -2.812  -5.246
  311   1HH2  ARG  36          1HH2      ARG  36  -0.954  -3.556  -5.618
  312   2HH2  ARG  36          2HH2      ARG  36   0.656  -3.996  -6.082
  313    H    GLY  37           H        GLY  37  -2.890   3.708  -0.516
  314   1HA   GLY  37          1HA       GLY  37  -4.226   4.981  -2.732
  315   2HA   GLY  37          2HA       GLY  37  -5.247   4.771  -1.323
  316    H    CYS  38           H        CYS  38  -5.091   7.290  -1.636
  317    HA   CYS  38           HA       CYS  38  -2.661   8.301  -0.387
  318   1HB   CYS  38          1HB       CYS  38  -4.876   9.631  -1.943
  319   2HB   CYS  38          2HB       CYS  38  -3.711  10.548  -1.010
  320    H    ILE  39           H        ILE  39  -3.037  10.062   1.335
  321    HA   ILE  39           HA       ILE  39  -5.559  10.107   2.646
  322    HB   ILE  39           HB       ILE  39  -4.491   7.849   3.252
  323   1HG1  ILE  39          1HG1      ILE  39  -5.161   9.439   5.701
  324   2HG1  ILE  39          2HG1      ILE  39  -6.364   9.312   4.433
  325   1HG2  ILE  39          1HG2      ILE  39  -2.223   8.684   3.662
  326   2HG2  ILE  39          2HG2      ILE  39  -2.826   9.661   5.022
  327   3HG2  ILE  39          3HG2      ILE  39  -2.901   7.884   5.100
  328   1HD1  ILE  39          1HD1      ILE  39  -4.947   6.925   5.705
  329   2HD1  ILE  39          2HD1      ILE  39  -6.575   7.495   6.144
  330   3HD1  ILE  39          3HD1      ILE  39  -6.266   6.854   4.512
  331    H    ASP  40           H        ASP  40  -5.392  11.481   4.701
  332    HA   ASP  40           HA       ASP  40  -3.303  13.444   4.206
  333   1HB   ASP  40          1HB       ASP  40  -4.872  14.949   5.590
  334   2HB   ASP  40          2HB       ASP  40  -5.433  14.491   3.994
  335    H    VAL  41           H        VAL  41  -5.337  11.976   6.858
  336    HA   VAL  41           HA       VAL  41  -3.100  12.438   8.699
  337    HB   VAL  41           HB       VAL  41  -6.076  12.145   9.076
  338   1HG1  VAL  41          1HG1      VAL  41  -3.884  11.997  11.166
  339   2HG1  VAL  41          2HG1      VAL  41  -5.581  12.377  11.546
  340   3HG1  VAL  41          3HG1      VAL  41  -5.161  10.804  10.827
  341   1HG2  VAL  41          1HG2      VAL  41  -5.166  14.381   8.479
  342   2HG2  VAL  41          2HG2      VAL  41  -5.919  14.343  10.091
  343   3HG2  VAL  41          3HG2      VAL  41  -4.145  14.326   9.936
  344    H    CYS  42           H        CYS  42  -1.934  10.718   9.401
  345    HA   CYS  42           HA       CYS  42  -2.501   8.166   8.359
  346   1HB   CYS  42          1HB       CYS  42  -0.235   9.171   8.952
  347   2HB   CYS  42          2HB       CYS  42  -0.603   8.786  10.622
  348    HA   PRO  43           HA       PRO  43  -5.274   7.089  11.600
  349   1HB   PRO  43          1HB       PRO  43  -6.005   4.634  10.647
  350   2HB   PRO  43          2HB       PRO  43  -6.765   6.127  10.132
  351   1HG   PRO  43          1HG       PRO  43  -4.824   4.438   8.677
  352   2HG   PRO  43          2HG       PRO  43  -5.900   5.667   8.044
  353   1HD   PRO  43          1HD       PRO  43  -3.079   5.924   8.496
  354   2HD   PRO  43          2HD       PRO  43  -4.176   7.187   7.973
  355    H    LYS  44           H        LYS  44  -5.738   4.978  12.995
  356    HA   LYS  44           HA       LYS  44  -3.114   4.420  14.087
  357   1HB   LYS  44          1HB       LYS  44  -5.346   5.088  15.340
  358   2HB   LYS  44          2HB       LYS  44  -5.671   3.369  15.248
  359   1HG   LYS  44          1HG       LYS  44  -4.497   3.507  17.274
  360   2HG   LYS  44          2HG       LYS  44  -3.210   3.092  16.159
  361   1HD   LYS  44          1HD       LYS  44  -2.622   5.517  15.939
  362   2HD   LYS  44          2HD       LYS  44  -3.906   5.929  17.059
  363   1HE   LYS  44          1HE       LYS  44  -2.803   4.548  18.834
  364   2HE   LYS  44          2HE       LYS  44  -1.520   4.133  17.714
  365   1HZ   LYS  44          1HZ       LYS  44  -2.188   6.859  18.586
  366   2HZ   LYS  44          2HZ       LYS  44  -0.911   5.980  19.098
  367   3HZ   LYS  44          3HZ       LYS  44  -0.993   6.471  17.543
  368    H    SER  45           H        SER  45  -2.309   2.265  14.451
  369    HA   SER  45           HA       SER  45  -3.184   0.506  12.342
  370   1HB   SER  45          1HB       SER  45  -0.744   0.665  14.128
  371   2HB   SER  45          2HB       SER  45  -1.097  -0.826  13.277
  372    HG   SER  45           HG       SER  45  -0.739   1.785  12.072
  373    H    SER  46           H        SER  46  -3.469  -1.875  12.814
  374    HA   SER  46           HA       SER  46  -4.518  -2.216  15.515
  375   1HB   SER  46          1HB       SER  46  -6.261  -3.644  14.626
  376   2HB   SER  46          2HB       SER  46  -6.275  -2.149  13.712
  377    HG   SER  46           HG       SER  46  -4.894  -3.307  12.095
  378    H    LEU  47           H        LEU  47  -4.856  -4.895  15.735
  379    HA   LEU  47           HA       LEU  47  -2.138  -5.858  15.559
  380   1HB   LEU  47          1HB       LEU  47  -4.600  -7.124  16.769
  381   2HB   LEU  47          2HB       LEU  47  -2.949  -7.683  16.951
  382    HG   LEU  47           HG       LEU  47  -4.007  -5.022  17.947
  383   1HD1  LEU  47          1HD1      LEU  47  -4.994  -6.890  19.169
  384   2HD1  LEU  47          2HD1      LEU  47  -3.374  -7.559  19.479
  385   3HD1  LEU  47          3HD1      LEU  47  -3.842  -5.995  20.188
  386   1HD2  LEU  47          1HD2      LEU  47  -1.297  -6.342  18.183
  387   2HD2  LEU  47          2HD2      LEU  47  -1.698  -4.755  17.483
  388   3HD2  LEU  47          3HD2      LEU  47  -1.836  -5.013  19.238
  389    H    LEU  48           H        LEU  48  -5.104  -6.013  13.755
  390    HA   LEU  48           HA       LEU  48  -4.357  -8.525  12.503
  391   1HB   LEU  48          1HB       LEU  48  -6.739  -7.658  13.218
  392   2HB   LEU  48          2HB       LEU  48  -6.684  -6.847  11.665
  393    HG   LEU  48           HG       LEU  48  -6.383  -9.832  12.101
  394   1HD1  LEU  48          1HD1      LEU  48  -8.649  -9.061  12.578
  395   2HD1  LEU  48          2HD1      LEU  48  -8.715  -8.239  11.000
  396   3HD1  LEU  48          3HD1      LEU  48  -8.599 -10.014  11.075
  397   1HD2  LEU  48          1HD2      LEU  48  -6.415  -8.171   9.571
  398   2HD2  LEU  48          2HD2      LEU  48  -5.116  -9.228  10.173
  399   3HD2  LEU  48          3HD2      LEU  48  -6.649  -9.935   9.608
  400    H    VAL  49           H        VAL  49  -5.287  -5.205  11.339
  401    HA   VAL  49           HA       VAL  49  -3.471  -5.659   9.087
  402    HB   VAL  49           HB       VAL  49  -4.735  -3.960   7.945
  403   1HG1  VAL  49          1HG1      VAL  49  -5.581  -6.308   7.967
  404   2HG1  VAL  49          2HG1      VAL  49  -6.668  -5.866   9.306
  405   3HG1  VAL  49          3HG1      VAL  49  -6.858  -5.094   7.713
  406   1HG2  VAL  49          1HG2      VAL  49  -5.185  -2.516   9.918
  407   2HG2  VAL  49          2HG2      VAL  49  -6.632  -2.807   8.924
  408   3HG2  VAL  49          3HG2      VAL  49  -6.417  -3.682  10.459
  409    H    LYS  50           H        LYS  50  -1.876  -4.092   8.540
  410    HA   LYS  50           HA       LYS  50  -1.358  -2.169  10.700
  411   1HB   LYS  50          1HB       LYS  50   0.482  -4.065   9.268
  412   2HB   LYS  50          2HB       LYS  50   1.108  -2.544   9.874
  413   1HG   LYS  50          1HG       LYS  50   0.389  -3.069  12.151
  414   2HG   LYS  50          2HG       LYS  50  -0.493  -4.481  11.606
  415   1HD   LYS  50          1HD       LYS  50   1.570  -5.321  12.493
  416   2HD   LYS  50          2HD       LYS  50   1.736  -5.423  10.752
  417   1HE   LYS  50          1HE       LYS  50   3.057  -3.350  10.694
  418   2HE   LYS  50          2HE       LYS  50   2.764  -3.064  12.398
  419   1HZ   LYS  50          1HZ       LYS  50   4.211  -5.377  11.305
  420   2HZ   LYS  50          2HZ       LYS  50   4.899  -4.077  12.014
  421   3HZ   LYS  50          3HZ       LYS  50   3.957  -5.082  12.891
  422    H    TYR  51           H        TYR  51  -1.639  -0.115  10.035
  423    HA   TYR  51           HA       TYR  51  -1.414   0.407   7.163
  424   1HB   TYR  51          1HB       TYR  51  -2.802   1.528   9.624
  425   2HB   TYR  51          2HB       TYR  51  -2.419   2.675   8.355
  426    HD1  TYR  51           HD1      TYR  51  -3.349   2.270   6.015
  427    HD2  TYR  51           HD2      TYR  51  -4.679   0.086   9.445
  428    HE1  TYR  51           HE1      TYR  51  -5.461   1.591   4.773
  429    HE2  TYR  51           HE2      TYR  51  -6.786  -0.586   8.191
  430    HH   TYR  51           HH       TYR  51  -7.287   0.445   4.826
  431    H    VAL  52           H        VAL  52   0.622   1.002   6.559
  432    HA   VAL  52           HA       VAL  52   2.085   2.752   8.402
  433    HB   VAL  52           HB       VAL  52   3.031   1.004   6.121
  434   1HG1  VAL  52          1HG1      VAL  52   4.574   2.771   8.047
  435   2HG1  VAL  52          2HG1      VAL  52   5.314   1.542   6.995
  436   3HG1  VAL  52          3HG1      VAL  52   4.468   2.934   6.278
  437   1HG2  VAL  52          1HG2      VAL  52   3.279   0.690   9.131
  438   2HG2  VAL  52          2HG2      VAL  52   2.331  -0.330   8.023
  439   3HG2  VAL  52          3HG2      VAL  52   4.108  -0.324   7.926
  440    H    CYS  53           H        CYS  53   2.653   4.818   7.794
  441    HA   CYS  53           HA       CYS  53   1.742   5.598   5.121
  442   1HB   CYS  53          1HB       CYS  53   2.002   7.422   7.512
  443   2HB   CYS  53          2HB       CYS  53   1.257   7.777   5.966
  444    H    CYS  54           H        CYS  54   3.140   7.099   3.944
  445    HA   CYS  54           HA       CYS  54   5.745   7.573   5.133
  446   1HB   CYS  54          1HB       CYS  54   6.685   6.863   2.783
  447   2HB   CYS  54          2HB       CYS  54   6.489   5.709   4.087
  448    H    ASN  55           H        ASN  55   6.774   9.451   4.195
  449    HA   ASN  55           HA       ASN  55   4.914  11.002   2.592
  450   1HB   ASN  55          1HB       ASN  55   6.384  12.958   3.338
  451   2HB   ASN  55          2HB       ASN  55   5.552  12.140   4.645
  452   1HD2  ASN  55          2HD2      ASN  55   6.669  10.787   6.047
  453   2HD2  ASN  55          1HD2      ASN  55   8.391  10.826   6.223
  454    H    THR  56           H        THR  56   6.195   9.095   1.078
  455    HA   THR  56           HA       THR  56   8.189  10.671  -0.385
  456    HB   THR  56           HB       THR  56   9.249   8.207  -0.675
  457    HG1  THR  56           HG1      THR  56   8.080   8.307   2.010
  458   1HG2  THR  56          1HG2      THR  56   9.553   9.895   1.866
  459   2HG2  THR  56          2HG2      THR  56  10.670   8.604   1.362
  460   3HG2  THR  56          3HG2      THR  56  10.510  10.077   0.376
  461    H    ASP  57           H        ASP  57   8.234  10.344  -2.634
  462    HA   ASP  57           HA       ASP  57   5.753   9.776  -3.709
  463   1HB   ASP  57          1HB       ASP  57   8.522   9.897  -4.989
  464   2HB   ASP  57          2HB       ASP  57   7.042   9.791  -5.921
  465    H    LYS  58           H        LYS  58   4.965   7.891  -4.831
  466    HA   LYS  58           HA       LYS  58   4.697   5.675  -4.952
  467   1HB   LYS  58          1HB       LYS  58   7.383   6.050  -6.307
  468   2HB   LYS  58          2HB       LYS  58   6.404   4.603  -6.445
  469   1HG   LYS  58          1HG       LYS  58   4.512   5.976  -7.352
  470   2HG   LYS  58          2HG       LYS  58   5.501   7.417  -7.226
  471   1HD   LYS  58          1HD       LYS  58   6.471   5.008  -8.806
  472   2HD   LYS  58          2HD       LYS  58   5.379   6.171  -9.532
  473   1HE   LYS  58          1HE       LYS  58   7.009   8.013  -8.958
  474   2HE   LYS  58          2HE       LYS  58   8.111   6.810  -8.317
  475   1HZ   LYS  58          1HZ       LYS  58   8.148   5.780 -10.492
  476   2HZ   LYS  58          2HZ       LYS  58   7.133   6.912 -11.087
  477   3HZ   LYS  58          3HZ       LYS  58   8.627   7.338 -10.584
  478    H    CYS  59           H        CYS  59   5.115   6.005  -2.391
  479    HA   CYS  59           HA       CYS  59   7.418   4.381  -1.649
  480   1HB   CYS  59          1HB       CYS  59   7.133   5.187   0.575
  481   2HB   CYS  59          2HB       CYS  59   7.110   6.553  -0.522
  482    H    ASN  60           H        ASN  60   3.824   4.671  -1.391
  483    HA   ASN  60           HA       ASN  60   3.616   2.212   0.004
  484   1HB   ASN  60          1HB       ASN  60   1.168   2.565  -0.252
  485   2HB   ASN  60          2HB       ASN  60   1.941   4.045   0.279
  486   1HD2  ASN  60          2HD2      ASN  60  -0.462   4.279  -0.795
  487   2HD2  ASN  60          1HD2      ASN  60  -0.424   4.960  -2.388
  488   1H    HOH  61          1H        HOH  61  -1.380  -8.515   2.658
  489   2H    HOH  61          2H        HOH  61  -1.032  -9.825   3.331
  490   1H    HOH  62          1H        HOH  62   6.502 -12.632   5.238
  491   2H    HOH  62          2H        HOH  62   7.697 -13.560   5.214
  Start of MODEL    3
    1    H    LEU   1           H        LEU   1   3.539  14.220  -5.931
    2    HA   LEU   1           HA       LEU   1   2.658  13.326  -3.408
    3   1HB   LEU   1          1HB       LEU   1   0.816  15.352  -4.659
    4   2HB   LEU   1          2HB       LEU   1   0.655  14.543  -3.112
    5    HG   LEU   1           HG       LEU   1   2.810  16.565  -3.792
    6   1HD1  LEU   1          1HD1      LEU   1   0.613  17.617  -3.772
    7   2HD1  LEU   1          2HD1      LEU   1   0.268  16.908  -2.176
    8   3HD1  LEU   1          3HD1      LEU   1   1.565  18.115  -2.353
    9   1HD2  LEU   1          1HD2      LEU   1   2.085  15.197  -1.188
   10   2HD2  LEU   1          2HD2      LEU   1   3.598  15.036  -2.112
   11   3HD2  LEU   1          3HD2      LEU   1   3.192  16.584  -1.333
   12    H    LYS   2           H        LYS   2   3.323  11.694  -5.285
   13    HA   LYS   2           HA       LYS   2   0.780  10.909  -6.505
   14   1HB   LYS   2          1HB       LYS   2   2.063  10.179  -8.528
   15   2HB   LYS   2          2HB       LYS   2   1.950  11.914  -8.316
   16   1HG   LYS   2          1HG       LYS   2   4.224  12.008  -7.383
   17   2HG   LYS   2          2HG       LYS   2   4.340  10.259  -7.382
   18   1HD   LYS   2          1HD       LYS   2   4.102  10.257  -9.886
   19   2HD   LYS   2          2HD       LYS   2   4.032  12.008  -9.869
   20   1HE   LYS   2          1HE       LYS   2   6.309  12.100  -8.845
   21   2HE   LYS   2          2HE       LYS   2   6.380  10.349  -8.828
   22   1HZ   LYS   2          1HZ       LYS   2   6.105  12.006 -11.240
   23   2HZ   LYS   2          2HZ       LYS   2   7.471  11.255 -10.751
   24   3HZ   LYS   2          3HZ       LYS   2   6.179  10.375 -11.221
   25    H    CYS   3           H        CYS   3   0.237   8.816  -6.098
   26    HA   CYS   3           HA       CYS   3   2.406   7.052  -5.250
   27   1HB   CYS   3          1HB       CYS   3  -0.253   6.912  -3.875
   28   2HB   CYS   3          2HB       CYS   3   1.304   6.294  -3.357
   29    H    LYS   4           H        LYS   4   1.356   4.658  -5.160
   30    HA   LYS   4           HA       LYS   4   0.058   4.346  -7.739
   31   1HB   LYS   4          1HB       LYS   4   1.239   2.260  -5.881
   32   2HB   LYS   4          2HB       LYS   4   0.695   2.000  -7.526
   33   1HG   LYS   4          1HG       LYS   4   2.385   3.872  -8.194
   34   2HG   LYS   4          2HG       LYS   4   3.055   3.677  -6.587
   35   1HD   LYS   4          1HD       LYS   4   2.791   1.478  -8.692
   36   2HD   LYS   4          2HD       LYS   4   4.279   2.277  -8.224
   37   1HE   LYS   4          1HE       LYS   4   2.528   0.540  -6.420
   38   2HE   LYS   4          2HE       LYS   4   4.087   0.093  -7.084
   39   1HZ   LYS   4          1HZ       LYS   4   4.931   2.129  -5.894
   40   2HZ   LYS   4          2HZ       LYS   4   3.517   2.143  -5.078
   41   3HZ   LYS   4          3HZ       LYS   4   4.517   0.857  -4.958
   42    H    LYS   5           H        LYS   5  -1.847   2.977  -8.004
   43    HA   LYS   5           HA       LYS   5  -3.657   3.362  -5.768
   44   1HB   LYS   5          1HB       LYS   5  -4.160   2.483  -8.627
   45   2HB   LYS   5          2HB       LYS   5  -5.399   2.775  -7.423
   46   1HG   LYS   5          1HG       LYS   5  -3.985   5.123  -7.235
   47   2HG   LYS   5          2HG       LYS   5  -3.706   4.733  -8.921
   48   1HD   LYS   5          1HD       LYS   5  -6.506   4.630  -7.736
   49   2HD   LYS   5          2HD       LYS   5  -5.825   6.141  -8.307
   50   1HE   LYS   5          1HE       LYS   5  -5.452   5.140 -10.560
   51   2HE   LYS   5          2HE       LYS   5  -6.082   3.605  -9.996
   52   1HZ   LYS   5          1HZ       LYS   5  -7.590   6.127 -10.065
   53   2HZ   LYS   5          2HZ       LYS   5  -7.758   4.889 -11.116
   54   3HZ   LYS   5          3HZ       LYS   5  -8.176   4.693  -9.549
   55    H    LEU   6           H        LEU   6  -5.453   1.191  -6.385
   56    HA   LEU   6           HA       LEU   6  -4.471  -0.752  -4.713
   57   1HB   LEU   6          1HB       LEU   6  -6.675  -0.611  -6.725
   58   2HB   LEU   6          2HB       LEU   6  -6.279  -2.164  -6.016
   59    HG   LEU   6           HG       LEU   6  -8.148  -0.836  -4.925
   60   1HD1  LEU   6          1HD1      LEU   6  -5.903  -2.243  -3.640
   61   2HD1  LEU   6          2HD1      LEU   6  -6.877  -1.233  -2.544
   62   3HD1  LEU   6          3HD1      LEU   6  -7.659  -2.507  -3.512
   63   1HD2  LEU   6          1HD2      LEU   6  -7.129   1.371  -4.987
   64   2HD2  LEU   6          2HD2      LEU   6  -7.501   0.901  -3.311
   65   3HD2  LEU   6          3HD2      LEU   6  -5.826   0.823  -3.906
   66    H    VAL   7           H        VAL   7  -4.352  -0.548  -8.315
   67    HA   VAL   7           HA       VAL   7  -2.681  -2.949  -8.303
   68    HB   VAL   7           HB       VAL   7  -4.004  -1.453 -10.576
   69   1HG1  VAL   7          1HG1      VAL   7  -1.936  -2.733 -11.177
   70   2HG1  VAL   7          2HG1      VAL   7  -2.733  -4.210 -10.584
   71   3HG1  VAL   7          3HG1      VAL   7  -3.414  -3.327 -11.972
   72   1HG2  VAL   7          1HG2      VAL   7  -4.832  -3.963  -9.085
   73   2HG2  VAL   7          2HG2      VAL   7  -5.709  -2.417  -9.176
   74   3HG2  VAL   7          3HG2      VAL   7  -5.541  -3.432 -10.629
   75    HA   PRO   8           HA       PRO   8   0.787  -0.405  -8.863
   76   1HB   PRO   8          1HB       PRO   8   2.641  -2.334  -9.421
   77   2HB   PRO   8          2HB       PRO   8   2.150  -1.919  -7.790
   78   1HG   PRO   8          1HG       PRO   8   1.420  -4.289  -9.400
   79   2HG   PRO   8          2HG       PRO   8   1.301  -4.060  -7.667
   80   1HD   PRO   8          1HD       PRO   8  -0.849  -3.961  -9.562
   81   2HD   PRO   8          2HD       PRO   8  -0.948  -3.618  -7.847
   82    H    LEU   9           H        LEU   9  -0.805   0.094 -10.858
   83    HA   LEU   9           HA       LEU   9   1.066   0.016 -13.086
   84   1HB   LEU   9          1HB       LEU   9  -1.674  -1.198 -13.063
   85   2HB   LEU   9          2HB       LEU   9  -1.043  -0.489 -14.537
   86    HG   LEU   9           HG       LEU   9   0.622  -2.504 -13.061
   87   1HD1  LEU   9          1HD1      LEU   9  -1.861  -3.084 -14.663
   88   2HD1  LEU   9          2HD1      LEU   9  -0.513  -4.244 -14.588
   89   3HD1  LEU   9          3HD1      LEU   9  -1.346  -3.750 -13.094
   90   1HD2  LEU   9          1HD2      LEU   9   1.585  -1.280 -14.959
   91   2HD2  LEU   9          2HD2      LEU   9   1.444  -3.023 -15.293
   92   3HD2  LEU   9          3HD2      LEU   9   0.279  -1.882 -16.008
   93    H    PHE  10           H        PHE  10  -2.080   1.166 -11.727
   94    HA   PHE  10           HA       PHE  10  -1.753   3.613 -13.283
   95   1HB   PHE  10          1HB       PHE  10  -3.965   2.199 -11.712
   96   2HB   PHE  10          2HB       PHE  10  -4.149   3.894 -12.119
   97    HD1  PHE  10           HD1      PHE  10  -3.949   0.492 -13.477
   98    HD2  PHE  10           HD2      PHE  10  -4.578   4.588 -14.389
   99    HE1  PHE  10           HE1      PHE  10  -4.835  -0.147 -15.737
  100    HE2  PHE  10           HE2      PHE  10  -5.465   3.949 -16.648
  101    HZ   PHE  10           HZ       PHE  10  -5.583   1.589 -17.296
  102    H    SER  11           H        SER  11  -1.364   5.607 -12.346
  103    HA   SER  11           HA       SER  11  -1.214   5.580  -9.433
  104   1HB   SER  11          1HB       SER  11   0.628   7.410  -9.874
  105   2HB   SER  11          2HB       SER  11   1.047   5.713  -9.996
  106    HG   SER  11           HG       SER  11   0.453   7.536 -12.162
  107    H    LYS  12           H        LYS  12  -1.752   7.634  -8.372
  108    HA   LYS  12           HA       LYS  12  -2.928   9.648 -10.121
  109   1HB   LYS  12          1HB       LYS  12  -4.555   7.770  -9.014
  110   2HB   LYS  12          2HB       LYS  12  -4.546   8.966  -7.734
  111   1HG   LYS  12          1HG       LYS  12  -6.301   9.752  -9.074
  112   2HG   LYS  12          2HG       LYS  12  -4.960  10.702  -9.681
  113   1HD   LYS  12          1HD       LYS  12  -4.627   9.081 -11.542
  114   2HD   LYS  12          2HD       LYS  12  -5.925   8.081 -10.921
  115   1HE   LYS  12          1HE       LYS  12  -7.535   9.976 -11.242
  116   2HE   LYS  12          2HE       LYS  12  -6.236  10.972 -11.867
  117   1HZ   LYS  12          1HZ       LYS  12  -7.144   8.437 -13.047
  118   2HZ   LYS  12          2HZ       LYS  12  -7.467   9.929 -13.628
  119   3HZ   LYS  12          3HZ       LYS  12  -5.934   9.366 -13.630
  120    H    THR  13           H        THR  13  -3.178  11.752  -9.041
  121    HA   THR  13           HA       THR  13  -1.147  12.036  -6.950
  122    HB   THR  13           HB       THR  13  -2.500  14.057  -8.816
  123    HG1  THR  13           HG1      THR  13  -0.488  13.747  -9.947
  124   1HG2  THR  13          1HG2      THR  13  -1.319  14.787  -6.515
  125   2HG2  THR  13          2HG2      THR  13   0.164  14.444  -7.437
  126   3HG2  THR  13          3HG2      THR  13  -0.984  15.671  -8.024
  127    H    CYS  14           H        CYS  14  -1.634  12.431  -4.883
  128    HA   CYS  14           HA       CYS  14  -4.290  12.370  -4.044
  129   1HB   CYS  14          1HB       CYS  14  -2.066  13.504  -2.372
  130   2HB   CYS  14          2HB       CYS  14  -3.475  12.594  -1.864
  131    HA   PRO  15           HA       PRO  15  -5.206  16.605  -4.698
  132   1HB   PRO  15          1HB       PRO  15  -7.731  16.633  -3.652
  133   2HB   PRO  15          2HB       PRO  15  -7.378  16.123  -5.291
  134   1HG   PRO  15          1HG       PRO  15  -8.053  14.465  -2.939
  135   2HG   PRO  15          2HG       PRO  15  -8.115  14.038  -4.637
  136   1HD   PRO  15          1HD       PRO  15  -6.105  13.260  -2.744
  137   2HD   PRO  15          2HD       PRO  15  -6.108  12.930  -4.465
  138    H    ALA  16           H        ALA  16  -5.929  18.626  -3.528
  139    HA   ALA  16           HA       ALA  16  -4.279  19.091  -1.438
  140   1HB   ALA  16          1HB       ALA  16  -7.035  20.267  -1.983
  141   2HB   ALA  16          2HB       ALA  16  -5.808  20.991  -0.916
  142   3HB   ALA  16          3HB       ALA  16  -5.488  20.831  -2.660
  143    H    GLY  17           H        GLY  17  -4.176  18.606   0.718
  144   1HA   GLY  17          1HA       GLY  17  -5.419  18.335   2.786
  145   2HA   GLY  17          2HA       GLY  17  -6.572  17.345   1.913
  146    H    LYS  18           H        LYS  18  -4.806  15.765   0.306
  147    HA   LYS  18           HA       LYS  18  -3.501  14.211   2.426
  148   1HB   LYS  18          1HB       LYS  18  -4.615  13.256  -0.229
  149   2HB   LYS  18          2HB       LYS  18  -3.889  12.253   1.011
  150   1HG   LYS  18          1HG       LYS  18  -5.668  12.779   2.594
  151   2HG   LYS  18          2HG       LYS  18  -6.315  14.025   1.545
  152   1HD   LYS  18          1HD       LYS  18  -6.981  12.365  -0.131
  153   2HD   LYS  18          2HD       LYS  18  -6.156  11.085   0.737
  154   1HE   LYS  18          1HE       LYS  18  -7.704  11.431   2.689
  155   2HE   LYS  18          2HE       LYS  18  -8.544  12.677   1.788
  156   1HZ   LYS  18          1HZ       LYS  18  -9.068  11.030   0.116
  157   2HZ   LYS  18          2HZ       LYS  18  -8.290   9.869   0.960
  158   3HZ   LYS  18          3HZ       LYS  18  -9.633  10.565   1.576
  159    H    ASN  19           H        ASN  19  -1.334  13.761   2.290
  160    HA   ASN  19           HA       ASN  19  -0.047  14.320  -0.238
  161   1HB   ASN  19          1HB       ASN  19   0.636  15.618   2.441
  162   2HB   ASN  19          2HB       ASN  19   1.828  15.495   1.162
  163   1HD2  ASN  19          2HD2      ASN  19   2.057  17.491   0.447
  164   2HD2  ASN  19          1HD2      ASN  19   0.802  18.526  -0.148
  165    H    LEU  20           H        LEU  20  -0.799  11.984   1.670
  166    HA   LEU  20           HA       LEU  20   1.910  10.883   1.853
  167   1HB   LEU  20          1HB       LEU  20  -0.253  10.706   3.954
  168   2HB   LEU  20          2HB       LEU  20   1.208   9.737   3.947
  169    HG   LEU  20           HG       LEU  20   1.228  12.763   4.022
  170   1HD1  LEU  20          1HD1      LEU  20   0.037  11.898   5.985
  171   2HD1  LEU  20          2HD1      LEU  20   1.420  10.842   6.359
  172   3HD1  LEU  20          3HD1      LEU  20   1.608  12.611   6.424
  173   1HD2  LEU  20          1HD2      LEU  20   3.347  10.647   4.423
  174   2HD2  LEU  20          2HD2      LEU  20   3.312  11.977   3.241
  175   3HD2  LEU  20          3HD2      LEU  20   3.542  12.330   4.970
  176    H    CYS  21           H        CYS  21   1.910   8.457   1.829
  177    HA   CYS  21           HA       CYS  21  -0.376   7.534   0.246
  178   1HB   CYS  21          1HB       CYS  21   2.347   6.267   0.149
  179   2HB   CYS  21          2HB       CYS  21   1.034   6.152  -1.005
  180    H    TYR  22           H        TYR  22  -1.650   6.087   1.347
  181    HA   TYR  22           HA       TYR  22  -0.478   4.761   3.675
  182   1HB   TYR  22          1HB       TYR  22  -2.729   4.813   4.444
  183   2HB   TYR  22          2HB       TYR  22  -2.755   6.200   3.374
  184    HD1  TYR  22           HD1      TYR  22  -3.333   2.493   3.281
  185    HD2  TYR  22           HD2      TYR  22  -4.431   6.340   1.765
  186    HE1  TYR  22           HE1      TYR  22  -5.221   1.436   1.946
  187    HE2  TYR  22           HE2      TYR  22  -6.316   5.271   0.436
  188    HH   TYR  22           HH       TYR  22  -6.826   1.753   0.542
  189    H    LYS  23           H        LYS  23  -0.511   2.504   3.951
  190    HA   LYS  23           HA       LYS  23  -1.467   0.969   1.649
  191   1HB   LYS  23          1HB       LYS  23   0.920   1.267   1.312
  192   2HB   LYS  23          2HB       LYS  23   1.264   0.730   2.944
  193   1HG   LYS  23          1HG       LYS  23  -0.207  -1.403   2.082
  194   2HG   LYS  23          2HG       LYS  23   0.450  -0.875   0.545
  195   1HD   LYS  23          1HD       LYS  23   2.186  -1.325   3.014
  196   2HD   LYS  23          2HD       LYS  23   1.862  -2.586   1.840
  197   1HE   LYS  23          1HE       LYS  23   2.770  -1.023   0.031
  198   2HE   LYS  23          2HE       LYS  23   3.246   0.083   1.304
  199   1HZ   LYS  23          1HZ       LYS  23   4.579  -1.690   2.249
  200   2HZ   LYS  23          2HZ       LYS  23   4.154  -2.699   1.038
  201   3HZ   LYS  23          3HZ       LYS  23   5.040  -1.365   0.717
  202    H    MET  24           H        MET  24  -2.527  -0.922   2.180
  203    HA   MET  24           HA       MET  24  -2.628  -1.461   5.047
  204   1HB   MET  24          1HB       MET  24  -4.745  -0.621   3.767
  205   2HB   MET  24          2HB       MET  24  -4.748  -2.174   2.955
  206   1HG   MET  24          1HG       MET  24  -4.739  -3.257   5.303
  207   2HG   MET  24          2HG       MET  24  -5.053  -1.658   5.947
  208   1HE   MET  24          1HE       MET  24  -6.696  -4.335   6.169
  209   2HE   MET  24          2HE       MET  24  -8.219  -4.390   5.249
  210   3HE   MET  24          3HE       MET  24  -6.687  -4.838   4.462
  211    H    PHE  25           H        PHE  25  -1.868  -3.425   5.718
  212    HA   PHE  25           HA       PHE  25  -1.943  -5.622   3.797
  213   1HB   PHE  25          1HB       PHE  25   0.442  -6.144   4.642
  214   2HB   PHE  25          2HB       PHE  25   0.328  -4.710   3.642
  215    HD1  PHE  25           HD1      PHE  25   0.267  -2.448   4.772
  216    HD2  PHE  25           HD2      PHE  25   1.231  -6.013   6.861
  217    HE1  PHE  25           HE1      PHE  25   1.331  -1.091   6.596
  218    HE2  PHE  25           HE2      PHE  25   2.295  -4.657   8.685
  219    HZ   PHE  25           HZ       PHE  25   2.332  -2.212   8.531
  220    H    MET  26           H        MET  26  -1.613  -7.777   4.868
  221    HA   MET  26           HA       MET  26  -2.925  -7.697   7.431
  222   1HB   MET  26          1HB       MET  26  -2.431  -9.710   5.236
  223   2HB   MET  26          2HB       MET  26  -2.627 -10.362   6.851
  224   1HG   MET  26          1HG       MET  26  -4.870 -10.270   6.397
  225   2HG   MET  26          2HG       MET  26  -4.722  -8.566   6.773
  226   1HE   MET  26          1HE       MET  26  -7.047  -9.490   5.032
  227   2HE   MET  26          2HE       MET  26  -6.688  -7.768   5.306
  228   3HE   MET  26          3HE       MET  26  -6.996  -8.361   3.657
  229    H    VAL  27           H        VAL  27  -1.982  -8.236   9.386
  230    HA   VAL  27           HA       VAL  27   0.829  -8.314   9.520
  231    HB   VAL  27           HB       VAL  27   0.461  -8.638  11.903
  232   1HG1  VAL  27          1HG1      VAL  27   0.176  -6.387  10.850
  233   2HG1  VAL  27          2HG1      VAL  27  -1.578  -6.686  10.786
  234   3HG1  VAL  27          3HG1      VAL  27  -0.747  -6.598  12.358
  235   1HG2  VAL  27          1HG2      VAL  27  -2.128  -9.673  10.985
  236   2HG2  VAL  27          2HG2      VAL  27  -1.244  -9.971  12.501
  237   3HG2  VAL  27          3HG2      VAL  27  -2.264  -8.522  12.335
  238    H    ALA  28           H        ALA  28   1.163 -10.109   7.919
  239    HA   ALA  28           HA       ALA  28   1.735 -12.499   9.311
  240   1HB   ALA  28          1HB       ALA  28  -0.646 -12.472   7.421
  241   2HB   ALA  28          2HB       ALA  28   0.223 -13.956   7.880
  242   3HB   ALA  28          3HB       ALA  28  -0.610 -12.992   9.123
  243    H    ALA  29           H        ALA  29   1.106 -10.832   6.177
  244    HA   ALA  29           HA       ALA  29   3.578 -12.083   5.188
  245   1HB   ALA  29          1HB       ALA  29   1.035 -11.362   3.676
  246   2HB   ALA  29          2HB       ALA  29   2.541 -11.943   2.926
  247   3HB   ALA  29          3HB       ALA  29   1.630 -13.002   4.029
  248    HA   PRO  30           HA       PRO  30   4.134  -7.608   5.323
  249   1HB   PRO  30          1HB       PRO  30   6.586  -7.599   6.529
  250   2HB   PRO  30          2HB       PRO  30   5.082  -7.449   7.415
  251   1HG   PRO  30          1HG       PRO  30   6.878  -9.787   7.194
  252   2HG   PRO  30          2HG       PRO  30   5.628  -9.471   8.381
  253   1HD   PRO  30          1HD       PRO  30   5.461 -11.265   6.149
  254   2HD   PRO  30          2HD       PRO  30   4.174 -10.861   7.268
  255    H    HIS  31           H        HIS  31   4.140  -8.709   2.979
  256    HA   HIS  31           HA       HIS  31   6.557  -7.610   1.868
  257   1HB   HIS  31          1HB       HIS  31   7.308  -9.856   2.290
  258   2HB   HIS  31          2HB       HIS  31   5.855 -10.540   1.588
  259    HD1  HIS  31           HD1      HIS  31   8.559  -8.107   0.326
  260    HD2  HIS  31           HD2      HIS  31   6.378 -11.470  -0.911
  261    HE1  HIS  31           HE1      HIS  31   9.367  -8.656  -2.032
  262    H    VAL  32           H        VAL  32   3.464  -9.408   1.354
  263    HA   VAL  32           HA       VAL  32   3.142  -7.956  -1.164
  264    HB   VAL  32           HB       VAL  32   1.605 -10.295  -0.015
  265   1HG1  VAL  32          1HG1      VAL  32   1.571  -9.043  -2.783
  266   2HG1  VAL  32          2HG1      VAL  32   0.730 -10.541  -2.316
  267   3HG1  VAL  32          3HG1      VAL  32   0.262  -8.990  -1.578
  268   1HG2  VAL  32          1HG2      VAL  32   3.863 -10.198  -2.040
  269   2HG2  VAL  32          2HG2      VAL  32   3.862 -11.004  -0.453
  270   3HG2  VAL  32          3HG2      VAL  32   2.824 -11.617  -1.763
  271    HA   PRO  33           HA       PRO  33   0.406  -5.347   1.008
  272   1HB   PRO  33          1HB       PRO  33  -0.198  -3.663  -1.059
  273   2HB   PRO  33          2HB       PRO  33   1.222  -3.472  -0.050
  274   1HG   PRO  33          1HG       PRO  33   1.040  -4.490  -2.819
  275   2HG   PRO  33          2HG       PRO  33   2.446  -3.898  -1.957
  276   1HD   PRO  33          1HD       PRO  33   1.789  -6.639  -2.490
  277   2HD   PRO  33          2HD       PRO  33   3.132  -6.050  -1.530
  278    H    VAL  34           H        VAL  34  -1.879  -4.277   0.561
  279    HA   VAL  34           HA       VAL  34  -3.439  -6.371  -0.779
  280    HB   VAL  34           HB       VAL  34  -4.131  -4.995   1.823
  281   1HG1  VAL  34          1HG1      VAL  34  -6.095  -5.599   0.491
  282   2HG1  VAL  34          2HG1      VAL  34  -5.492  -7.267   0.334
  283   3HG1  VAL  34          3HG1      VAL  34  -5.964  -6.638   1.931
  284   1HG2  VAL  34          1HG2      VAL  34  -2.202  -6.634   1.942
  285   2HG2  VAL  34          2HG2      VAL  34  -3.603  -7.016   2.971
  286   3HG2  VAL  34          3HG2      VAL  34  -3.351  -7.899   1.446
  287    H    LYS  35           H        LYS  35  -3.558  -3.035   0.661
  288    HA   LYS  35           HA       LYS  35  -4.954  -2.212  -1.782
  289   1HB   LYS  35          1HB       LYS  35  -5.698  -1.440   1.056
  290   2HB   LYS  35          2HB       LYS  35  -6.377  -0.726  -0.393
  291   1HG   LYS  35          1HG       LYS  35  -7.766  -2.499  -0.747
  292   2HG   LYS  35          2HG       LYS  35  -6.479  -3.663  -0.501
  293   1HD   LYS  35          1HD       LYS  35  -6.752  -3.589   1.914
  294   2HD   LYS  35          2HD       LYS  35  -7.811  -2.196   1.817
  295   1HE   LYS  35          1HE       LYS  35  -9.546  -3.528   0.679
  296   2HE   LYS  35          2HE       LYS  35  -8.476  -4.912   0.586
  297   1HZ   LYS  35          1HZ       LYS  35  -9.318  -3.677   3.115
  298   2HZ   LYS  35          2HZ       LYS  35 -10.042  -4.980   2.449
  299   3HZ   LYS  35          3HZ       LYS  35  -8.487  -5.072   2.939
  300    H    ARG  36           H        ARG  36  -4.780   0.205  -2.142
  301    HA   ARG  36           HA       ARG  36  -2.657   1.464  -0.721
  302   1HB   ARG  36          1HB       ARG  36  -2.358   0.961  -3.725
  303   2HB   ARG  36          2HB       ARG  36  -1.244   1.872  -2.726
  304   1HG   ARG  36          1HG       ARG  36  -0.749  -0.161  -1.383
  305   2HG   ARG  36          2HG       ARG  36  -1.912  -1.082  -2.316
  306   1HD   ARG  36          1HD       ARG  36   0.069   0.314  -4.020
  307   2HD   ARG  36          2HD       ARG  36   0.812  -0.817  -2.907
  308    HE   ARG  36           HE       ARG  36  -1.533  -1.795  -4.448
  309   1HH1  ARG  36          1HH1      ARG  36   1.959  -1.751  -4.019
  310   2HH1  ARG  36          2HH1      ARG  36   2.225  -3.157  -4.996
  311   1HH2  ARG  36          1HH2      ARG  36  -1.184  -3.649  -5.737
  312   2HH2  ARG  36          2HH2      ARG  36   0.425  -4.243  -5.980
  313    H    GLY  37           H        GLY  37  -3.214   3.622  -0.550
  314   1HA   GLY  37          1HA       GLY  37  -4.523   4.956  -2.782
  315   2HA   GLY  37          2HA       GLY  37  -5.480   4.784  -1.324
  316    H    CYS  38           H        CYS  38  -5.351   7.258  -1.492
  317    HA   CYS  38           HA       CYS  38  -2.804   8.229  -0.445
  318   1HB   CYS  38          1HB       CYS  38  -5.074   9.574  -1.893
  319   2HB   CYS  38          2HB       CYS  38  -3.914  10.502  -0.965
  320    H    ILE  39           H        ILE  39  -3.042   9.977   1.315
  321    HA   ILE  39           HA       ILE  39  -5.477  10.042   2.783
  322    HB   ILE  39           HB       ILE  39  -4.403   7.769   3.305
  323   1HG1  ILE  39          1HG1      ILE  39  -4.886   9.368   5.795
  324   2HG1  ILE  39          2HG1      ILE  39  -6.176   9.231   4.616
  325   1HG2  ILE  39          1HG2      ILE  39  -2.098   8.595   3.560
  326   2HG2  ILE  39          2HG2      ILE  39  -2.601   9.532   4.988
  327   3HG2  ILE  39          3HG2      ILE  39  -2.680   7.754   5.017
  328   1HD1  ILE  39          1HD1      ILE  39  -4.670   6.853   5.799
  329   2HD1  ILE  39          2HD1      ILE  39  -6.260   7.427   6.355
  330   3HD1  ILE  39          3HD1      ILE  39  -6.075   6.775   4.709
  331    H    ASP  40           H        ASP  40  -5.173  11.406   4.823
  332    HA   ASP  40           HA       ASP  40  -3.083  13.339   4.222
  333   1HB   ASP  40          1HB       ASP  40  -4.532  14.910   5.597
  334   2HB   ASP  40          2HB       ASP  40  -5.265  14.355   4.105
  335    H    VAL  41           H        VAL  41  -4.992  11.841   6.945
  336    HA   VAL  41           HA       VAL  41  -2.667  12.278   8.683
  337    HB   VAL  41           HB       VAL  41  -5.627  12.064   9.204
  338   1HG1  VAL  41          1HG1      VAL  41  -3.345  11.833  11.186
  339   2HG1  VAL  41          2HG1      VAL  41  -5.009  12.263  11.650
  340   3HG1  VAL  41          3HG1      VAL  41  -4.673  10.683  10.902
  341   1HG2  VAL  41          1HG2      VAL  41  -4.673  14.276   8.579
  342   2HG2  VAL  41          2HG2      VAL  41  -5.362  14.249  10.220
  343   3HG2  VAL  41          3HG2      VAL  41  -3.598  14.180   9.994
  344    H    CYS  42           H        CYS  42  -1.503  10.529   9.308
  345    HA   CYS  42           HA       CYS  42  -2.210   7.990   8.309
  346   1HB   CYS  42          1HB       CYS  42   0.119   8.927   8.715
  347   2HB   CYS  42          2HB       CYS  42  -0.128   8.575  10.414
  348    HA   PRO  43           HA       PRO  43  -4.765   7.025  11.763
  349   1HB   PRO  43          1HB       PRO  43  -5.698   4.623  10.852
  350   2HB   PRO  43          2HB       PRO  43  -6.423   6.159  10.422
  351   1HG   PRO  43          1HG       PRO  43  -4.703   4.398   8.785
  352   2HG   PRO  43          2HG       PRO  43  -5.767   5.689   8.261
  353   1HD   PRO  43          1HD       PRO  43  -2.908   5.798   8.468
  354   2HD   PRO  43          2HD       PRO  43  -3.981   7.122   8.056
  355    H    LYS  44           H        LYS  44  -5.201   4.960  13.204
  356    HA   LYS  44           HA       LYS  44  -2.516   4.216  14.009
  357   1HB   LYS  44          1HB       LYS  44  -4.531   5.065  15.498
  358   2HB   LYS  44          2HB       LYS  44  -4.997   3.377  15.470
  359   1HG   LYS  44          1HG       LYS  44  -2.204   3.339  15.953
  360   2HG   LYS  44          2HG       LYS  44  -2.803   4.668  16.926
  361   1HD   LYS  44          1HD       LYS  44  -4.449   3.207  18.018
  362   2HD   LYS  44          2HD       LYS  44  -4.054   1.882  16.942
  363   1HE   LYS  44          1HE       LYS  44  -2.891   1.477  19.030
  364   2HE   LYS  44          2HE       LYS  44  -1.680   1.925  17.845
  365   1HZ   LYS  44          1HZ       LYS  44  -2.911   3.867  19.668
  366   2HZ   LYS  44          2HZ       LYS  44  -1.522   3.078  20.009
  367   3HZ   LYS  44          3HZ       LYS  44  -1.594   4.088  18.728
  368    H    SER  45           H        SER  45  -1.997   1.929  14.523
  369    HA   SER  45           HA       SER  45  -3.132   0.266  12.449
  370   1HB   SER  45          1HB       SER  45  -0.573   0.282  14.032
  371   2HB   SER  45          2HB       SER  45  -1.136  -1.261  13.422
  372    HG   SER  45           HG       SER  45   0.287  -0.168  11.913
  373    H    SER  46           H        SER  46  -3.442  -2.153  13.048
  374    HA   SER  46           HA       SER  46  -4.455  -2.312  15.778
  375   1HB   SER  46          1HB       SER  46  -6.345  -3.639  14.990
  376   2HB   SER  46          2HB       SER  46  -6.309  -2.121  14.115
  377    HG   SER  46           HG       SER  46  -5.225  -3.257  12.343
  378    H    LEU  47           H        LEU  47  -5.046  -4.963  16.033
  379    HA   LEU  47           HA       LEU  47  -2.432  -6.165  15.787
  380   1HB   LEU  47          1HB       LEU  47  -4.978  -6.888  17.217
  381   2HB   LEU  47          2HB       LEU  47  -3.647  -8.020  17.080
  382    HG   LEU  47           HG       LEU  47  -2.183  -6.192  18.133
  383   1HD1  LEU  47          1HD1      LEU  47  -4.927  -5.035  18.652
  384   2HD1  LEU  47          2HD1      LEU  47  -3.495  -4.630  19.628
  385   3HD1  LEU  47          3HD1      LEU  47  -3.521  -4.254  17.888
  386   1HD2  LEU  47          1HD2      LEU  47  -4.383  -7.491  19.764
  387   2HD2  LEU  47          2HD2      LEU  47  -2.825  -8.221  19.310
  388   3HD2  LEU  47          3HD2      LEU  47  -2.865  -6.822  20.410
  389    H    LEU  48           H        LEU  48  -5.383  -6.002  14.006
  390    HA   LEU  48           HA       LEU  48  -4.917  -8.598  12.771
  391   1HB   LEU  48          1HB       LEU  48  -7.179  -8.018  13.482
  392   2HB   LEU  48          2HB       LEU  48  -7.155  -6.593  12.462
  393    HG   LEU  48           HG       LEU  48  -6.855  -8.136  10.474
  394   1HD1  LEU  48          1HD1      LEU  48  -7.461 -10.232  12.573
  395   2HD1  LEU  48          2HD1      LEU  48  -7.621 -10.495  10.819
  396   3HD1  LEU  48          3HD1      LEU  48  -6.029 -10.119  11.521
  397   1HD2  LEU  48          1HD2      LEU  48  -8.987  -7.075  10.985
  398   2HD2  LEU  48          2HD2      LEU  48  -9.235  -8.724  10.363
  399   3HD2  LEU  48          3HD2      LEU  48  -9.397  -8.397  12.105
  400    H    VAL  49           H        VAL  49  -5.665  -5.242  11.583
  401    HA   VAL  49           HA       VAL  49  -3.891  -5.824   9.324
  402    HB   VAL  49           HB       VAL  49  -5.111  -4.172   8.117
  403   1HG1  VAL  49          1HG1      VAL  49  -6.137  -6.401   8.245
  404   2HG1  VAL  49          2HG1      VAL  49  -7.057  -5.900   9.684
  405   3HG1  VAL  49          3HG1      VAL  49  -7.373  -5.126   8.113
  406   1HG2  VAL  49          1HG2      VAL  49  -5.392  -2.552   9.975
  407   2HG2  VAL  49          2HG2      VAL  49  -6.897  -2.820   9.063
  408   3HG2  VAL  49          3HG2      VAL  49  -6.673  -3.585  10.655
  409    H    LYS  50           H        LYS  50  -2.522  -3.982   8.540
  410    HA   LYS  50           HA       LYS  50  -1.847  -2.125  10.697
  411   1HB   LYS  50          1HB       LYS  50  -0.119  -4.237   9.519
  412   2HB   LYS  50          2HB       LYS  50   0.619  -2.662   9.727
  413   1HG   LYS  50          1HG       LYS  50  -0.290  -2.684  12.138
  414   2HG   LYS  50          2HG       LYS  50  -0.716  -4.363  11.877
  415   1HD   LYS  50          1HD       LYS  50   1.701  -4.831  11.267
  416   2HD   LYS  50          2HD       LYS  50   2.089  -3.170  11.669
  417   1HE   LYS  50          1HE       LYS  50   1.264  -3.539  14.003
  418   2HE   LYS  50          2HE       LYS  50   0.861  -5.196  13.602
  419   1HZ   LYS  50          1HZ       LYS  50   3.557  -4.032  13.475
  420   2HZ   LYS  50          2HZ       LYS  50   3.008  -5.040  14.637
  421   3HZ   LYS  50          3HZ       LYS  50   3.181  -5.577  13.104
  422    H    TYR  51           H        TYR  51  -1.491  -0.051  10.003
  423    HA   TYR  51           HA       TYR  51  -1.465   0.308   7.082
  424   1HB   TYR  51          1HB       TYR  51  -2.774   1.631   9.485
  425   2HB   TYR  51          2HB       TYR  51  -2.321   2.689   8.164
  426    HD1  TYR  51           HD1      TYR  51  -3.334   2.338   5.886
  427    HD2  TYR  51           HD2      TYR  51  -4.687   0.199   9.335
  428    HE1  TYR  51           HE1      TYR  51  -5.488   1.737   4.677
  429    HE2  TYR  51           HE2      TYR  51  -6.836  -0.396   8.114
  430    HH   TYR  51           HH       TYR  51  -7.392   0.735   4.788
  431    H    VAL  52           H        VAL  52   0.444   1.031   6.296
  432    HA   VAL  52           HA       VAL  52   2.091   2.643   8.121
  433    HB   VAL  52           HB       VAL  52   2.752   0.585   6.035
  434   1HG1  VAL  52          1HG1      VAL  52   4.547   2.812   7.036
  435   2HG1  VAL  52          2HG1      VAL  52   5.167   1.305   6.318
  436   3HG1  VAL  52          3HG1      VAL  52   4.142   2.396   5.354
  437   1HG2  VAL  52          1HG2      VAL  52   2.461   0.030   8.499
  438   2HG2  VAL  52          2HG2      VAL  52   4.008  -0.455   7.764
  439   3HG2  VAL  52          3HG2      VAL  52   3.928   0.994   8.796
  440    H    CYS  53           H        CYS  53   2.528   4.717   7.530
  441    HA   CYS  53           HA       CYS  53   1.731   5.447   4.808
  442   1HB   CYS  53          1HB       CYS  53   1.942   7.384   7.100
  443   2HB   CYS  53          2HB       CYS  53   1.105   7.576   5.572
  444    H    CYS  54           H        CYS  54   3.225   6.676   3.556
  445    HA   CYS  54           HA       CYS  54   5.768   7.272   4.857
  446   1HB   CYS  54          1HB       CYS  54   6.724   6.517   2.495
  447   2HB   CYS  54          2HB       CYS  54   6.586   5.429   3.862
  448    H    ASN  55           H        ASN  55   6.799   9.155   3.971
  449    HA   ASN  55           HA       ASN  55   4.993  10.715   2.337
  450   1HB   ASN  55          1HB       ASN  55   6.540  12.627   3.000
  451   2HB   ASN  55          2HB       ASN  55   5.774  11.836   4.363
  452   1HD2  ASN  55          2HD2      ASN  55   6.945  10.526   5.736
  453   2HD2  ASN  55          1HD2      ASN  55   8.676  10.508   5.792
  454    H    THR  56           H        THR  56   6.222   8.668   0.883
  455    HA   THR  56           HA       THR  56   8.197  10.156  -0.706
  456    HB   THR  56           HB       THR  56   9.129   7.641  -0.989
  457    HG1  THR  56           HG1      THR  56   8.731   6.551   1.068
  458   1HG2  THR  56          1HG2      THR  56  10.423   9.568   0.041
  459   2HG2  THR  56          2HG2      THR  56   9.612   9.225   1.588
  460   3HG2  THR  56          3HG2      THR  56  10.704   8.017   0.869
  461    H    ASP  57           H        ASP  57   8.179   9.751  -2.954
  462    HA   ASP  57           HA       ASP  57   5.619   9.267  -3.924
  463   1HB   ASP  57          1HB       ASP  57   8.330   9.324  -5.330
  464   2HB   ASP  57          2HB       ASP  57   6.800   9.284  -6.184
  465    H    LYS  58           H        LYS  58   4.752   7.390  -4.992
  466    HA   LYS  58           HA       LYS  58   4.448   5.187  -5.142
  467   1HB   LYS  58          1HB       LYS  58   7.167   5.369  -6.474
  468   2HB   LYS  58          2HB       LYS  58   5.993   4.089  -6.701
  469   1HG   LYS  58          1HG       LYS  58   4.330   5.835  -7.506
  470   2HG   LYS  58          2HG       LYS  58   5.599   7.038  -7.397
  471   1HD   LYS  58          1HD       LYS  58   6.996   5.557  -8.964
  472   2HD   LYS  58          2HD       LYS  58   5.565   4.572  -9.194
  473   1HE   LYS  58          1HE       LYS  58   5.710   7.572  -9.763
  474   2HE   LYS  58          2HE       LYS  58   5.857   6.323 -10.982
  475   1HZ   LYS  58          1HZ       LYS  58   3.642   5.536 -10.192
  476   2HZ   LYS  58          2HZ       LYS  58   3.515   6.911  -9.321
  477   3HZ   LYS  58          3HZ       LYS  58   3.633   6.983 -10.948
  478    H    CYS  59           H        CYS  59   4.964   5.594  -2.571
  479    HA   CYS  59           HA       CYS  59   7.185   3.844  -1.865
  480   1HB   CYS  59          1HB       CYS  59   7.057   4.733   0.334
  481   2HB   CYS  59          2HB       CYS  59   7.048   6.071  -0.798
  482    H    ASN  60           H        ASN  60   3.628   4.361  -1.555
  483    HA   ASN  60           HA       ASN  60   3.294   1.991  -0.036
  484   1HB   ASN  60          1HB       ASN  60   0.856   2.469  -0.325
  485   2HB   ASN  60          2HB       ASN  60   1.723   3.902   0.190
  486   1HD2  ASN  60          2HD2      ASN  60  -0.754   3.975  -1.047
  487   2HD2  ASN  60          1HD2      ASN  60  -0.627   4.734  -2.599
  488   1H    HOH  61          1H        HOH  61  -1.392  -8.236   2.372
  489   2H    HOH  61          2H        HOH  61  -1.444  -9.550   3.122
  490   1H    HOH  62          1H        HOH  62   7.456 -11.736   6.660
  491   2H    HOH  62          2H        HOH  62   7.545 -11.522   8.156
  Start of MODEL    4
    1    H    LEU   1           H        LEU   1   3.137  15.266  -5.696
    2    HA   LEU   1           HA       LEU   1   3.229  13.302  -3.525
    3   1HB   LEU   1          1HB       LEU   1   1.497  15.675  -4.126
    4   2HB   LEU   1          2HB       LEU   1   0.899  14.389  -3.098
    5    HG   LEU   1           HG       LEU   1   1.753  16.015  -1.637
    6   1HD1  LEU   1          1HD1      LEU   1   2.500  13.591  -1.279
    7   2HD1  LEU   1          2HD1      LEU   1   4.106  14.136  -1.821
    8   3HD1  LEU   1          3HD1      LEU   1   3.359  14.864  -0.378
    9   1HD2  LEU   1          1HD2      LEU   1   3.056  17.194  -3.480
   10   2HD2  LEU   1          2HD2      LEU   1   3.764  17.219  -1.847
   11   3HD2  LEU   1          3HD2      LEU   1   4.405  16.104  -3.078
   12    H    LYS   2           H        LYS   2   3.440  11.752  -5.509
   13    HA   LYS   2           HA       LYS   2   0.700  11.033  -6.284
   14   1HB   LYS   2          1HB       LYS   2   1.460  10.381  -8.459
   15   2HB   LYS   2          2HB       LYS   2   1.965  12.034  -8.177
   16   1HG   LYS   2          1HG       LYS   2   4.239  11.184  -7.477
   17   2HG   LYS   2          2HG       LYS   2   3.722   9.554  -7.861
   18   1HD   LYS   2          1HD       LYS   2   3.592  11.803  -9.912
   19   2HD   LYS   2          2HD       LYS   2   5.041  10.844  -9.687
   20   1HE   LYS   2          1HE       LYS   2   3.643   8.753 -10.089
   21   2HE   LYS   2          2HE       LYS   2   2.280   9.789 -10.464
   22   1HZ   LYS   2          1HZ       LYS   2   3.602  10.778 -12.220
   23   2HZ   LYS   2          2HZ       LYS   2   4.856   9.790 -11.879
   24   3HZ   LYS   2          3HZ       LYS   2   3.455   9.166 -12.440
   25    H    CYS   3           H        CYS   3   0.155   8.849  -6.121
   26    HA   CYS   3           HA       CYS   3   2.299   7.074  -5.250
   27   1HB   CYS   3          1HB       CYS   3  -0.342   6.903  -3.859
   28   2HB   CYS   3          2HB       CYS   3   1.235   6.340  -3.342
   29    H    LYS   4           H        LYS   4   1.367   4.692  -5.284
   30    HA   LYS   4           HA       LYS   4  -0.091   4.451  -7.787
   31   1HB   LYS   4          1HB       LYS   4   1.608   2.576  -6.140
   32   2HB   LYS   4          2HB       LYS   4   0.584   1.983  -7.433
   33   1HG   LYS   4          1HG       LYS   4   2.352   4.343  -8.048
   34   2HG   LYS   4          2HG       LYS   4   3.132   2.785  -7.861
   35   1HD   LYS   4          1HD       LYS   4   1.643   1.798  -9.585
   36   2HD   LYS   4          2HD       LYS   4   0.777   3.314  -9.735
   37   1HE   LYS   4          1HE       LYS   4   2.334   3.327 -11.548
   38   2HE   LYS   4          2HE       LYS   4   3.037   4.401 -10.355
   39   1HZ   LYS   4          1HZ       LYS   4   3.731   1.556 -10.582
   40   2HZ   LYS   4          2HZ       LYS   4   4.590   2.763 -11.271
   41   3HZ   LYS   4          3HZ       LYS   4   4.470   2.671  -9.645
   42    H    LYS   5           H        LYS   5  -1.886   2.871  -7.973
   43    HA   LYS   5           HA       LYS   5  -3.594   3.125  -5.641
   44   1HB   LYS   5          1HB       LYS   5  -4.183   2.186  -8.466
   45   2HB   LYS   5          2HB       LYS   5  -5.372   2.391  -7.196
   46   1HG   LYS   5          1HG       LYS   5  -4.146   4.845  -7.093
   47   2HG   LYS   5          2HG       LYS   5  -3.917   4.464  -8.788
   48   1HD   LYS   5          1HD       LYS   5  -6.625   4.258  -7.396
   49   2HD   LYS   5          2HD       LYS   5  -6.083   5.713  -8.208
   50   1HE   LYS   5          1HE       LYS   5  -5.885   4.505 -10.351
   51   2HE   LYS   5          2HE       LYS   5  -6.261   2.982  -9.568
   52   1HZ   LYS   5          1HZ       LYS   5  -8.072   5.294  -9.684
   53   2HZ   LYS   5          2HZ       LYS   5  -8.179   3.967 -10.629
   54   3HZ   LYS   5          3HZ       LYS   5  -8.420   3.844  -9.019
   55    H    LEU   6           H        LEU   6  -5.247   0.858  -6.001
   56    HA   LEU   6           HA       LEU   6  -3.962  -1.005  -4.456
   57   1HB   LEU   6          1HB       LEU   6  -6.199  -1.584  -6.395
   58   2HB   LEU   6          2HB       LEU   6  -5.811  -2.451  -4.923
   59    HG   LEU   6           HG       LEU   6  -6.228   0.210  -4.111
   60   1HD1  LEU   6          1HD1      LEU   6  -7.246   0.595  -6.353
   61   2HD1  LEU   6          2HD1      LEU   6  -8.464  -0.644  -5.965
   62   3HD1  LEU   6          3HD1      LEU   6  -8.368   0.843  -4.993
   63   1HD2  LEU   6          1HD2      LEU   6  -6.761  -1.851  -2.865
   64   2HD2  LEU   6          2HD2      LEU   6  -8.124  -0.707  -2.910
   65   3HD2  LEU   6          3HD2      LEU   6  -8.132  -2.143  -3.961
   66    H    VAL   7           H        VAL   7  -4.169  -0.745  -8.037
   67    HA   VAL   7           HA       VAL   7  -2.449  -3.102  -8.231
   68    HB   VAL   7           HB       VAL   7  -4.010  -1.571 -10.321
   69   1HG1  VAL   7          1HG1      VAL   7  -1.935  -2.696 -11.163
   70   2HG1  VAL   7          2HG1      VAL   7  -2.602  -4.245 -10.594
   71   3HG1  VAL   7          3HG1      VAL   7  -3.443  -3.327 -11.867
   72   1HG2  VAL   7          1HG2      VAL   7  -4.567  -4.206  -8.921
   73   2HG2  VAL   7          2HG2      VAL   7  -5.524  -2.709  -8.827
   74   3HG2  VAL   7          3HG2      VAL   7  -5.445  -3.619 -10.354
   75    HA   PRO   8           HA       PRO   8   0.898  -0.431  -8.943
   76   1HB   PRO   8          1HB       PRO   8   2.781  -2.301  -9.595
   77   2HB   PRO   8          2HB       PRO   8   2.365  -1.895  -7.941
   78   1HG   PRO   8          1HG       PRO   8   1.628  -4.294  -9.503
   79   2HG   PRO   8          2HG       PRO   8   1.595  -4.062  -7.766
   80   1HD   PRO   8          1HD       PRO   8  -0.656  -4.041  -9.544
   81   2HD   PRO   8          2HD       PRO   8  -0.674  -3.694  -7.826
   82    H    LEU   9           H        LEU   9  -0.757   0.096 -10.832
   83    HA   LEU   9           HA       LEU   9   0.974   0.029 -13.163
   84   1HB   LEU   9          1HB       LEU   9  -1.728  -1.253 -12.992
   85   2HB   LEU   9          2HB       LEU   9  -1.207  -0.519 -14.496
   86    HG   LEU   9           HG       LEU   9   0.592  -2.500 -13.133
   87   1HD1  LEU   9          1HD1      LEU   9  -1.943  -3.136 -14.637
   88   2HD1  LEU   9          2HD1      LEU   9  -0.567  -4.265 -14.591
   89   3HD1  LEU   9          3HD1      LEU   9  -1.368  -3.775 -13.078
   90   1HD2  LEU   9          1HD2      LEU   9   1.427  -1.235 -15.062
   91   2HD2  LEU   9          2HD2      LEU   9   1.305  -2.976 -15.414
   92   3HD2  LEU   9          3HD2      LEU   9   0.080  -1.852 -16.050
   93    H    PHE  10           H        PHE  10  -2.121   1.108 -11.639
   94    HA   PHE  10           HA       PHE  10  -1.929   3.563 -13.205
   95   1HB   PHE  10          1HB       PHE  10  -4.023   2.071 -11.556
   96   2HB   PHE  10          2HB       PHE  10  -4.266   3.776 -11.880
   97    HD1  PHE  10           HD1      PHE  10  -4.035   0.442 -13.407
   98    HD2  PHE  10           HD2      PHE  10  -4.873   4.548 -14.074
   99    HE1  PHE  10           HE1      PHE  10  -5.034  -0.125 -15.639
  100    HE2  PHE  10           HE2      PHE  10  -5.872   3.981 -16.306
  101    HZ   PHE  10           HZ       PHE  10  -5.941   1.652 -17.062
  102    H    SER  11           H        SER  11  -1.539   5.565 -12.284
  103    HA   SER  11           HA       SER  11  -1.286   5.555  -9.379
  104   1HB   SER  11          1HB       SER  11   0.559   7.383  -9.920
  105   2HB   SER  11          2HB       SER  11   0.962   5.678  -9.949
  106    HG   SER  11           HG       SER  11   1.740   6.799 -11.849
  107    H    LYS  12           H        LYS  12  -1.841   7.583  -8.319
  108    HA   LYS  12           HA       LYS  12  -2.959   9.640 -10.053
  109   1HB   LYS  12          1HB       LYS  12  -4.505   8.091  -7.969
  110   2HB   LYS  12          2HB       LYS  12  -4.981   9.701  -8.470
  111   1HG   LYS  12          1HG       LYS  12  -4.889   8.820 -10.903
  112   2HG   LYS  12          2HG       LYS  12  -4.752   7.213 -10.217
  113   1HD   LYS  12          1HD       LYS  12  -7.070   7.377 -10.470
  114   2HD   LYS  12          2HD       LYS  12  -6.888   7.913  -8.811
  115   1HE   LYS  12          1HE       LYS  12  -6.877  10.296  -9.583
  116   2HE   LYS  12          2HE       LYS  12  -7.058   9.761 -11.241
  117   1HZ   LYS  12          1HZ       LYS  12  -9.139   8.731 -10.618
  118   2HZ   LYS  12          2HZ       LYS  12  -8.971   9.232  -9.073
  119   3HZ   LYS  12          3HZ       LYS  12  -9.164  10.326 -10.270
  120    H    THR  13           H        THR  13  -2.934  11.736  -9.117
  121    HA   THR  13           HA       THR  13  -1.060  11.935  -6.901
  122    HB   THR  13           HB       THR  13  -2.314  14.040  -8.742
  123    HG1  THR  13           HG1      THR  13  -0.984  12.621  -9.954
  124   1HG2  THR  13          1HG2      THR  13  -1.165  14.777  -6.500
  125   2HG2  THR  13          2HG2      THR  13   0.336  14.176  -7.243
  126   3HG2  THR  13          3HG2      THR  13  -0.566  15.505  -8.010
  127    H    CYS  14           H        CYS  14  -1.597  12.287  -4.841
  128    HA   CYS  14           HA       CYS  14  -4.241  12.264  -4.035
  129   1HB   CYS  14          1HB       CYS  14  -2.018  13.450  -2.386
  130   2HB   CYS  14          2HB       CYS  14  -3.450  12.598  -1.842
  131    HA   PRO  15           HA       PRO  15  -5.245  16.464  -4.751
  132   1HB   PRO  15          1HB       PRO  15  -7.730  16.497  -3.614
  133   2HB   PRO  15          2HB       PRO  15  -7.430  15.933  -5.246
  134   1HG   PRO  15          1HG       PRO  15  -7.994  14.352  -2.812
  135   2HG   PRO  15          2HG       PRO  15  -8.113  13.863  -4.491
  136   1HD   PRO  15          1HD       PRO  15  -6.024  13.179  -2.649
  137   2HD   PRO  15          2HD       PRO  15  -6.085  12.789  -4.356
  138    H    ALA  16           H        ALA  16  -6.167  18.468  -3.540
  139    HA   ALA  16           HA       ALA  16  -4.376  19.041  -1.542
  140   1HB   ALA  16          1HB       ALA  16  -7.155  20.175  -2.058
  141   2HB   ALA  16          2HB       ALA  16  -5.902  20.947  -1.058
  142   3HB   ALA  16          3HB       ALA  16  -5.635  20.722  -2.803
  143    H    GLY  17           H        GLY  17  -4.234  18.651   0.634
  144   1HA   GLY  17          1HA       GLY  17  -5.409  18.425   2.734
  145   2HA   GLY  17          2HA       GLY  17  -6.596  17.422   1.923
  146    H    LYS  18           H        LYS  18  -4.847  15.806   0.300
  147    HA   LYS  18           HA       LYS  18  -3.523  14.283   2.431
  148   1HB   LYS  18          1HB       LYS  18  -4.679  13.277  -0.186
  149   2HB   LYS  18          2HB       LYS  18  -3.949  12.298   1.071
  150   1HG   LYS  18          1HG       LYS  18  -5.717  12.775   2.630
  151   2HG   LYS  18          2HG       LYS  18  -6.306  14.123   1.679
  152   1HD   LYS  18          1HD       LYS  18  -7.058  12.601  -0.109
  153   2HD   LYS  18          2HD       LYS  18  -6.342  11.227   0.710
  154   1HE   LYS  18          1HE       LYS  18  -7.885  11.586   2.654
  155   2HE   LYS  18          2HE       LYS  18  -8.604  12.953   1.828
  156   1HZ   LYS  18          1HZ       LYS  18  -9.255  11.464   0.057
  157   2HZ   LYS  18          2HZ       LYS  18  -8.587  10.189   0.829
  158   3HZ   LYS  18          3HZ       LYS  18  -9.870  10.959   1.483
  159    H    ASN  19           H        ASN  19  -1.363  13.796   2.260
  160    HA   ASN  19           HA       ASN  19  -0.115  14.287  -0.297
  161   1HB   ASN  19          1HB       ASN  19   0.606  15.682   2.322
  162   2HB   ASN  19          2HB       ASN  19   1.784  15.506   1.037
  163   1HD2  ASN  19          2HD2      ASN  19   0.486  17.875   2.210
  164   2HD2  ASN  19          1HD2      ASN  19  -0.241  18.750   0.904
  165    H    LEU  20           H        LEU  20  -0.830  11.955   1.529
  166    HA   LEU  20           HA       LEU  20   1.886  10.900   1.799
  167   1HB   LEU  20          1HB       LEU  20  -0.302  10.723   3.874
  168   2HB   LEU  20          2HB       LEU  20   1.164   9.763   3.894
  169    HG   LEU  20           HG       LEU  20   1.246  12.782   3.880
  170   1HD1  LEU  20          1HD1      LEU  20  -0.141  12.088   5.778
  171   2HD1  LEU  20          2HD1      LEU  20   1.148  10.989   6.322
  172   3HD1  LEU  20          3HD1      LEU  20   1.423  12.747   6.312
  173   1HD2  LEU  20          1HD2      LEU  20   3.222  10.602   4.565
  174   2HD2  LEU  20          2HD2      LEU  20   3.350  11.872   3.325
  175   3HD2  LEU  20          3HD2      LEU  20   3.450  12.300   5.050
  176    H    CYS  21           H        CYS  21   1.911   8.474   1.798
  177    HA   CYS  21           HA       CYS  21  -0.351   7.510   0.203
  178   1HB   CYS  21          1HB       CYS  21   2.429   6.350   0.129
  179   2HB   CYS  21          2HB       CYS  21   1.107   6.088  -0.992
  180    H    TYR  22           H        TYR  22  -1.596   6.020   1.282
  181    HA   TYR  22           HA       TYR  22  -0.391   4.705   3.607
  182   1HB   TYR  22          1HB       TYR  22  -2.620   4.779   4.435
  183   2HB   TYR  22          2HB       TYR  22  -2.658   6.173   3.374
  184    HD1  TYR  22           HD1      TYR  22  -3.273   2.471   3.262
  185    HD2  TYR  22           HD2      TYR  22  -4.384   6.344   1.824
  186    HE1  TYR  22           HE1      TYR  22  -5.208   1.445   1.972
  187    HE2  TYR  22           HE2      TYR  22  -6.315   5.305   0.538
  188    HH   TYR  22           HH       TYR  22  -7.414   3.503   0.092
  189    H    LYS  23           H        LYS  23  -0.593   2.429   3.925
  190    HA   LYS  23           HA       LYS  23  -1.605   0.922   1.641
  191   1HB   LYS  23          1HB       LYS  23   0.357  -0.284   1.273
  192   2HB   LYS  23          2HB       LYS  23   0.911   1.370   1.433
  193   1HG   LYS  23          1HG       LYS  23   1.304   0.857   3.937
  194   2HG   LYS  23          2HG       LYS  23   1.033  -0.829   3.541
  195   1HD   LYS  23          1HD       LYS  23   3.364  -0.676   3.330
  196   2HD   LYS  23          2HD       LYS  23   2.853  -0.440   1.671
  197   1HE   LYS  23          1HE       LYS  23   2.992   2.032   1.961
  198   2HE   LYS  23          2HE       LYS  23   3.455   1.821   3.638
  199   1HZ   LYS  23          1HZ       LYS  23   4.973   0.807   1.335
  200   2HZ   LYS  23          2HZ       LYS  23   5.356   2.130   2.213
  201   3HZ   LYS  23          3HZ       LYS  23   5.409   0.650   2.901
  202    H    MET  24           H        MET  24  -2.698  -0.917   2.239
  203    HA   MET  24           HA       MET  24  -2.633  -1.470   5.103
  204   1HB   MET  24          1HB       MET  24  -4.810  -0.633   3.980
  205   2HB   MET  24          2HB       MET  24  -4.842  -2.139   3.084
  206   1HG   MET  24          1HG       MET  24  -4.784  -3.381   5.317
  207   2HG   MET  24          2HG       MET  24  -4.954  -1.834   6.122
  208   1HE   MET  24          1HE       MET  24  -6.832  -4.613   5.909
  209   2HE   MET  24          2HE       MET  24  -8.262  -4.419   4.867
  210   3HE   MET  24          3HE       MET  24  -6.655  -4.655   4.138
  211    H    PHE  25           H        PHE  25  -1.893  -3.450   5.764
  212    HA   PHE  25           HA       PHE  25  -1.961  -5.616   3.799
  213   1HB   PHE  25          1HB       PHE  25   0.369  -6.067   4.223
  214   2HB   PHE  25          2HB       PHE  25   0.314  -4.318   4.118
  215    HD1  PHE  25           HD1      PHE  25   0.515  -7.163   6.456
  216    HD2  PHE  25           HD2      PHE  25   0.826  -2.955   6.005
  217    HE1  PHE  25           HE1      PHE  25   1.541  -6.994   8.741
  218    HE2  PHE  25           HE2      PHE  25   1.852  -2.786   8.289
  219    HZ   PHE  25           HZ       PHE  25   2.197  -4.808   9.630
  220    H    MET  26           H        MET  26  -1.849  -7.791   4.779
  221    HA   MET  26           HA       MET  26  -3.183  -7.743   7.329
  222   1HB   MET  26          1HB       MET  26  -2.787  -9.682   5.051
  223   2HB   MET  26          2HB       MET  26  -3.047 -10.393   6.632
  224   1HG   MET  26          1HG       MET  26  -5.273 -10.137   6.158
  225   2HG   MET  26          2HG       MET  26  -5.022  -8.464   6.614
  226   1HE   MET  26          1HE       MET  26  -4.202 -10.814   3.545
  227   2HE   MET  26          2HE       MET  26  -5.945 -10.923   3.890
  228   3HE   MET  26          3HE       MET  26  -5.383 -10.176   2.375
  229    H    VAL  27           H        VAL  27  -2.350  -8.549   9.263
  230    HA   VAL  27           HA       VAL  27   0.449  -8.723   9.476
  231    HB   VAL  27           HB       VAL  27  -1.150  -7.929  11.210
  232   1HG1  VAL  27          1HG1      VAL  27  -2.566 -10.187  10.744
  233   2HG1  VAL  27          2HG1      VAL  27  -1.641 -10.694  12.178
  234   3HG1  VAL  27          3HG1      VAL  27  -2.675  -9.247  12.252
  235   1HG2  VAL  27          1HG2      VAL  27   0.725 -10.171  12.037
  236   2HG2  VAL  27          2HG2      VAL  27   1.157  -8.461  11.797
  237   3HG2  VAL  27          3HG2      VAL  27   0.061  -8.924  13.121
  238    H    ALA  28           H        ALA  28   0.729 -10.362   7.677
  239    HA   ALA  28           HA       ALA  28   1.189 -12.904   8.859
  240   1HB   ALA  28          1HB       ALA  28  -1.039 -12.608   6.807
  241   2HB   ALA  28          2HB       ALA  28  -0.278 -14.159   7.237
  242   3HB   ALA  28          3HB       ALA  28  -1.177 -13.238   8.466
  243    H    ALA  29           H        ALA  29   0.809 -10.891   5.891
  244    HA   ALA  29           HA       ALA  29   3.304 -12.113   4.925
  245   1HB   ALA  29          1HB       ALA  29   0.880 -11.159   3.347
  246   2HB   ALA  29          2HB       ALA  29   2.415 -11.708   2.632
  247   3HB   ALA  29          3HB       ALA  29   1.409 -12.845   3.561
  248    HA   PRO  30           HA       PRO  30   3.953  -7.693   5.562
  249   1HB   PRO  30          1HB       PRO  30   6.312  -7.880   6.930
  250   2HB   PRO  30          2HB       PRO  30   4.751  -7.773   7.721
  251   1HG   PRO  30          1HG       PRO  30   6.502 -10.131   7.388
  252   2HG   PRO  30          2HG       PRO  30   5.178  -9.897   8.512
  253   1HD   PRO  30          1HD       PRO  30   5.130 -11.453   6.103
  254   2HD   PRO  30          2HD       PRO  30   3.776 -11.123   7.165
  255    H    HIS  31           H        HIS  31   4.130  -8.665   3.128
  256    HA   HIS  31           HA       HIS  31   6.632  -7.493   2.298
  257   1HB   HIS  31          1HB       HIS  31   7.312  -9.783   2.561
  258   2HB   HIS  31          2HB       HIS  31   5.898 -10.368   1.706
  259    HD1  HIS  31           HD1      HIS  31   8.580  -7.773   0.766
  260    HD2  HIS  31           HD2      HIS  31   6.719 -11.216  -0.744
  261    HE1  HIS  31           HE1      HIS  31   9.576  -8.167  -1.550
  262    H    VAL  32           H        VAL  32   3.619  -9.249   1.308
  263    HA   VAL  32           HA       VAL  32   3.474  -7.478  -1.014
  264    HB   VAL  32           HB       VAL  32   1.924  -9.986  -0.334
  265   1HG1  VAL  32          1HG1      VAL  32   0.702  -8.475  -1.834
  266   2HG1  VAL  32          2HG1      VAL  32   2.108  -8.409  -2.924
  267   3HG1  VAL  32          3HG1      VAL  32   1.233  -9.941  -2.691
  268   1HG2  VAL  32          1HG2      VAL  32   4.353  -9.561  -2.102
  269   2HG2  VAL  32          2HG2      VAL  32   4.231 -10.582  -0.649
  270   3HG2  VAL  32          3HG2      VAL  32   3.342 -11.026  -2.126
  271    HA   PRO  33           HA       PRO  33   0.437  -5.239   1.155
  272   1HB   PRO  33          1HB       PRO  33  -0.157  -3.422  -0.798
  273   2HB   PRO  33          2HB       PRO  33   1.195  -3.240   0.301
  274   1HG   PRO  33          1HG       PRO  33   1.215  -4.030  -2.548
  275   2HG   PRO  33          2HG       PRO  33   2.538  -3.436  -1.564
  276   1HD   PRO  33          1HD       PRO  33   2.071  -6.154  -2.353
  277   2HD   PRO  33          2HD       PRO  33   3.327  -5.577  -1.275
  278    H    VAL  34           H        VAL  34  -1.881  -4.271   0.685
  279    HA   VAL  34           HA       VAL  34  -3.244  -6.351  -0.880
  280    HB   VAL  34           HB       VAL  34  -4.197  -5.125   1.714
  281   1HG1  VAL  34          1HG1      VAL  34  -5.993  -5.848   0.192
  282   2HG1  VAL  34          2HG1      VAL  34  -5.262  -7.468   0.099
  283   3HG1  VAL  34          3HG1      VAL  34  -5.913  -6.872   1.645
  284   1HG2  VAL  34          1HG2      VAL  34  -2.147  -6.636   1.891
  285   2HG2  VAL  34          2HG2      VAL  34  -3.567  -7.100   2.859
  286   3HG2  VAL  34          3HG2      VAL  34  -3.203  -7.960   1.344
  287    H    LYS  35           H        LYS  35  -3.607  -3.089   0.685
  288    HA   LYS  35           HA       LYS  35  -4.969  -2.254  -1.779
  289   1HB   LYS  35          1HB       LYS  35  -5.713  -1.451   1.050
  290   2HB   LYS  35          2HB       LYS  35  -6.453  -0.849  -0.419
  291   1HG   LYS  35          1HG       LYS  35  -7.741  -2.717  -0.670
  292   2HG   LYS  35          2HG       LYS  35  -6.392  -3.793  -0.364
  293   1HD   LYS  35          1HD       LYS  35  -6.645  -3.534   2.060
  294   2HD   LYS  35          2HD       LYS  35  -7.843  -2.273   1.850
  295   1HE   LYS  35          1HE       LYS  35  -8.290  -5.041   0.673
  296   2HE   LYS  35          2HE       LYS  35  -8.664  -4.716   2.354
  297   1HZ   LYS  35          1HZ       LYS  35 -10.073  -2.895   1.596
  298   2HZ   LYS  35          2HZ       LYS  35  -9.767  -3.281   0.039
  299   3HZ   LYS  35          3HZ       LYS  35 -10.568  -4.332   0.998
  300    H    ARG  36           H        ARG  36  -4.776   0.112  -2.211
  301    HA   ARG  36           HA       ARG  36  -2.672   1.403  -0.758
  302   1HB   ARG  36          1HB       ARG  36  -2.450   0.797  -3.749
  303   2HB   ARG  36          2HB       ARG  36  -1.411   1.931  -2.908
  304   1HG   ARG  36          1HG       ARG  36  -0.605   0.121  -1.409
  305   2HG   ARG  36          2HG       ARG  36  -1.692  -1.022  -2.172
  306   1HD   ARG  36          1HD       ARG  36   0.071   0.437  -4.080
  307   2HD   ARG  36          2HD       ARG  36   0.933  -0.584  -2.947
  308    HE   ARG  36           HE       ARG  36  -1.398  -1.833  -4.273
  309   1HH1  ARG  36          1HH1      ARG  36   2.091  -1.384  -4.230
  310   2HH1  ARG  36          2HH1      ARG  36   2.412  -2.781  -5.202
  311   1HH2  ARG  36          1HH2      ARG  36  -0.977  -3.677  -5.556
  312   2HH2  ARG  36          2HH2      ARG  36   0.655  -4.094  -5.961
  313    H    GLY  37           H        GLY  37  -3.257   3.549  -0.528
  314   1HA   GLY  37          1HA       GLY  37  -4.653   4.898  -2.702
  315   2HA   GLY  37          2HA       GLY  37  -5.543   4.707  -1.205
  316    H    CYS  38           H        CYS  38  -5.414   7.199  -1.423
  317    HA   CYS  38           HA       CYS  38  -2.845   8.163  -0.424
  318   1HB   CYS  38          1HB       CYS  38  -5.114   9.485  -1.886
  319   2HB   CYS  38          2HB       CYS  38  -3.988  10.439  -0.941
  320    H    ILE  39           H        ILE  39  -3.063   9.954   1.308
  321    HA   ILE  39           HA       ILE  39  -5.472  10.029   2.816
  322    HB   ILE  39           HB       ILE  39  -4.367   7.769   3.352
  323   1HG1  ILE  39          1HG1      ILE  39  -4.857   9.412   5.816
  324   2HG1  ILE  39          2HG1      ILE  39  -6.153   9.212   4.652
  325   1HG2  ILE  39          1HG2      ILE  39  -2.070   8.653   3.576
  326   2HG2  ILE  39          2HG2      ILE  39  -2.582   9.563   5.018
  327   3HG2  ILE  39          3HG2      ILE  39  -2.623   7.784   5.028
  328   1HD1  ILE  39          1HD1      ILE  39  -4.580   6.906   5.891
  329   2HD1  ILE  39          2HD1      ILE  39  -6.185   7.452   6.433
  330   3HD1  ILE  39          3HD1      ILE  39  -5.983   6.760   4.805
  331    H    ASP  40           H        ASP  40  -5.163  11.446   4.805
  332    HA   ASP  40           HA       ASP  40  -3.047  13.344   4.174
  333   1HB   ASP  40          1HB       ASP  40  -4.499  14.998   5.409
  334   2HB   ASP  40          2HB       ASP  40  -5.245  14.348   3.963
  335    H    VAL  41           H        VAL  41  -4.978  11.798   6.839
  336    HA   VAL  41           HA       VAL  41  -2.752  12.378   8.666
  337    HB   VAL  41           HB       VAL  41  -5.047  13.349   9.109
  338   1HG1  VAL  41          1HG1      VAL  41  -6.271  11.254   8.396
  339   2HG1  VAL  41          2HG1      VAL  41  -5.753  10.518   9.931
  340   3HG1  VAL  41          3HG1      VAL  41  -6.799  11.958   9.943
  341   1HG2  VAL  41          1HG2      VAL  41  -3.814  11.514  11.192
  342   2HG2  VAL  41          2HG2      VAL  41  -3.350  13.199  10.851
  343   3HG2  VAL  41          3HG2      VAL  41  -4.955  12.838  11.529
  344    H    CYS  42           H        CYS  42  -1.524  10.690   9.330
  345    HA   CYS  42           HA       CYS  42  -2.124   8.103   8.353
  346   1HB   CYS  42          1HB       CYS  42   0.168   9.053   8.631
  347   2HB   CYS  42          2HB       CYS  42  -0.023   8.924  10.368
  348    HA   PRO  43           HA       PRO  43  -4.601   7.151  11.877
  349   1HB   PRO  43          1HB       PRO  43  -5.568   4.758  10.979
  350   2HB   PRO  43          2HB       PRO  43  -6.306   6.298  10.586
  351   1HG   PRO  43          1HG       PRO  43  -4.646   4.549   8.876
  352   2HG   PRO  43          2HG       PRO  43  -5.725   5.845   8.400
  353   1HD   PRO  43          1HD       PRO  43  -2.860   5.950   8.510
  354   2HD   PRO  43          2HD       PRO  43  -3.945   7.278   8.146
  355    H    LYS  44           H        LYS  44  -5.007   5.021  13.271
  356    HA   LYS  44           HA       LYS  44  -2.300   4.307  14.024
  357   1HB   LYS  44          1HB       LYS  44  -4.261   5.087  15.579
  358   2HB   LYS  44          2HB       LYS  44  -4.785   3.418  15.467
  359   1HG   LYS  44          1HG       LYS  44  -2.861   2.589  16.543
  360   2HG   LYS  44          2HG       LYS  44  -1.878   3.965  16.082
  361   1HD   LYS  44          1HD       LYS  44  -3.214   5.415  17.651
  362   2HD   LYS  44          2HD       LYS  44  -4.135   4.007  18.142
  363   1HE   LYS  44          1HE       LYS  44  -1.095   4.191  18.385
  364   2HE   LYS  44          2HE       LYS  44  -2.192   4.615  19.684
  365   1HZ   LYS  44          1HZ       LYS  44  -3.124   2.336  19.411
  366   2HZ   LYS  44          2HZ       LYS  44  -1.866   1.987  18.429
  367   3HZ   LYS  44          3HZ       LYS  44  -1.597   2.392  19.988
  368    H    SER  45           H        SER  45  -2.032   1.897  14.772
  369    HA   SER  45           HA       SER  45  -3.088   0.298  12.577
  370   1HB   SER  45          1HB       SER  45  -0.463   0.290  14.068
  371   2HB   SER  45          2HB       SER  45  -1.032  -1.212  13.367
  372    HG   SER  45           HG       SER  45   0.303  -0.074  11.861
  373    H    SER  46           H        SER  46  -3.407  -2.102  13.137
  374    HA   SER  46           HA       SER  46  -4.235  -2.327  15.925
  375   1HB   SER  46          1HB       SER  46  -6.176  -3.616  15.239
  376   2HB   SER  46          2HB       SER  46  -6.175  -2.108  14.346
  377    HG   SER  46           HG       SER  46  -6.622  -3.844  12.911
  378    H    LEU  47           H        LEU  47  -4.811  -4.990  16.148
  379    HA   LEU  47           HA       LEU  47  -2.210  -6.175  15.734
  380   1HB   LEU  47          1HB       LEU  47  -4.664  -7.246  17.134
  381   2HB   LEU  47          2HB       LEU  47  -3.060  -7.952  17.167
  382    HG   LEU  47           HG       LEU  47  -3.785  -5.227  18.280
  383   1HD1  LEU  47          1HD1      LEU  47  -4.836  -7.021  19.559
  384   2HD1  LEU  47          2HD1      LEU  47  -3.265  -7.841  19.725
  385   3HD1  LEU  47          3HD1      LEU  47  -3.525  -6.254  20.488
  386   1HD2  LEU  47          1HD2      LEU  47  -1.198  -6.792  18.272
  387   2HD2  LEU  47          2HD2      LEU  47  -1.508  -5.162  17.627
  388   3HD2  LEU  47          3HD2      LEU  47  -1.523  -5.441  19.385
  389    H    LEU  48           H        LEU  48  -5.289  -6.017  14.154
  390    HA   LEU  48           HA       LEU  48  -4.895  -8.575  12.836
  391   1HB   LEU  48          1HB       LEU  48  -7.115  -7.911  13.664
  392   2HB   LEU  48          2HB       LEU  48  -7.101  -6.525  12.592
  393    HG   LEU  48           HG       LEU  48  -6.849  -8.217  10.670
  394   1HD1  LEU  48          1HD1      LEU  48  -7.714 -10.095  12.885
  395   2HD1  LEU  48          2HD1      LEU  48  -7.791 -10.465  11.145
  396   3HD1  LEU  48          3HD1      LEU  48  -6.217 -10.173  11.924
  397   1HD2  LEU  48          1HD2      LEU  48  -9.414  -8.102  12.281
  398   2HD2  LEU  48          2HD2      LEU  48  -8.875  -6.934  11.049
  399   3HD2  LEU  48          3HD2      LEU  48  -9.279  -8.602  10.578
  400    H    VAL  49           H        VAL  49  -5.630  -5.194  11.715
  401    HA   VAL  49           HA       VAL  49  -3.907  -5.767   9.410
  402    HB   VAL  49           HB       VAL  49  -5.167  -3.944   8.319
  403   1HG1  VAL  49          1HG1      VAL  49  -6.821  -6.240   9.420
  404   2HG1  VAL  49          2HG1      VAL  49  -7.300  -5.205   8.054
  405   3HG1  VAL  49          3HG1      VAL  49  -5.852  -6.233   7.927
  406   1HG2  VAL  49          1HG2      VAL  49  -5.800  -2.834  10.530
  407   2HG2  VAL  49          2HG2      VAL  49  -7.070  -2.918   9.285
  408   3HG2  VAL  49          3HG2      VAL  49  -7.089  -4.054  10.655
  409    H    LYS  50           H        LYS  50  -2.588  -3.908   8.596
  410    HA   LYS  50           HA       LYS  50  -1.960  -1.979  10.697
  411   1HB   LYS  50          1HB       LYS  50  -0.122  -4.047   9.549
  412   2HB   LYS  50          2HB       LYS  50   0.531  -2.464   9.918
  413   1HG   LYS  50          1HG       LYS  50   0.703  -3.125  12.081
  414   2HG   LYS  50          2HG       LYS  50  -1.046  -3.075  12.172
  415   1HD   LYS  50          1HD       LYS  50  -1.266  -5.408  11.720
  416   2HD   LYS  50          2HD       LYS  50   0.348  -5.526  11.046
  417   1HE   LYS  50          1HE       LYS  50   0.015  -4.697  13.942
  418   2HE   LYS  50          2HE       LYS  50  -0.138  -6.390  13.515
  419   1HZ   LYS  50          1HZ       LYS  50   2.034  -6.265  12.490
  420   2HZ   LYS  50          2HZ       LYS  50   2.177  -4.689  12.894
  421   3HZ   LYS  50          3HZ       LYS  50   2.116  -5.828  14.062
  422    H    TYR  51           H        TYR  51  -1.686   0.068   9.918
  423    HA   TYR  51           HA       TYR  51  -1.618   0.305   6.987
  424   1HB   TYR  51          1HB       TYR  51  -2.646   2.066   9.299
  425   2HB   TYR  51          2HB       TYR  51  -2.645   2.603   7.631
  426    HD1  TYR  51           HD1      TYR  51  -4.203   1.624   5.989
  427    HD2  TYR  51           HD2      TYR  51  -4.265   0.431  10.097
  428    HE1  TYR  51           HE1      TYR  51  -6.492   0.568   5.655
  429    HE2  TYR  51           HE2      TYR  51  -6.553  -0.621   9.750
  430    HH   TYR  51           HH       TYR  51  -8.215  -0.899   8.390
  431    H    VAL  52           H        VAL  52   0.455   0.688   6.335
  432    HA   VAL  52           HA       VAL  52   2.115   2.372   8.049
  433    HB   VAL  52           HB       VAL  52   2.783   0.645   5.657
  434   1HG1  VAL  52          1HG1      VAL  52   4.579   2.162   7.579
  435   2HG1  VAL  52          2HG1      VAL  52   5.140   0.971   6.381
  436   3HG1  VAL  52          3HG1      VAL  52   4.362   2.478   5.840
  437   1HG2  VAL  52          1HG2      VAL  52   2.063  -0.689   7.574
  438   2HG2  VAL  52          2HG2      VAL  52   3.814  -0.868   7.310
  439   3HG2  VAL  52          3HG2      VAL  52   3.215   0.169   8.625
  440    H    CYS  53           H        CYS  53   2.634   4.449   7.514
  441    HA   CYS  53           HA       CYS  53   1.705   5.333   4.881
  442   1HB   CYS  53          1HB       CYS  53   2.144   7.213   7.174
  443   2HB   CYS  53          2HB       CYS  53   1.127   7.401   5.759
  444    H    CYS  54           H        CYS  54   3.133   6.764   3.685
  445    HA   CYS  54           HA       CYS  54   5.783   7.118   4.833
  446   1HB   CYS  54          1HB       CYS  54   6.655   6.483   2.457
  447   2HB   CYS  54          2HB       CYS  54   6.374   5.252   3.673
  448    H    ASN  55           H        ASN  55   6.853   9.004   3.967
  449    HA   ASN  55           HA       ASN  55   5.011  10.710   2.511
  450   1HB   ASN  55          1HB       ASN  55   6.501  12.575   3.317
  451   2HB   ASN  55          2HB       ASN  55   5.836  11.639   4.641
  452   1HD2  ASN  55          2HD2      ASN  55   8.090  13.219   4.887
  453   2HD2  ASN  55          1HD2      ASN  55   9.485  12.236   5.187
  454    H    THR  56           H        THR  56   6.154   8.817   0.862
  455    HA   THR  56           HA       THR  56   8.113  10.393  -0.638
  456    HB   THR  56           HB       THR  56   9.143   7.930  -1.026
  457    HG1  THR  56           HG1      THR  56   8.066   7.990   1.700
  458   1HG2  THR  56          1HG2      THR  56   9.576   9.536   1.549
  459   2HG2  THR  56          2HG2      THR  56  10.673   8.281   0.925
  460   3HG2  THR  56          3HG2      THR  56  10.443   9.794   0.015
  461    H    ASP  57           H        ASP  57   8.057  10.108  -2.894
  462    HA   ASP  57           HA       ASP  57   5.518   9.550  -3.856
  463   1HB   ASP  57          1HB       ASP  57   8.210   9.750  -5.286
  464   2HB   ASP  57          2HB       ASP  57   6.674   9.681  -6.127
  465    H    LYS  58           H        LYS  58   4.744   7.711  -5.100
  466    HA   LYS  58           HA       LYS  58   4.497   5.492  -5.279
  467   1HB   LYS  58          1HB       LYS  58   6.149   4.506  -6.866
  468   2HB   LYS  58          2HB       LYS  58   5.480   6.040  -7.386
  469   1HG   LYS  58          1HG       LYS  58   7.498   7.237  -6.643
  470   2HG   LYS  58          2HG       LYS  58   8.150   5.777  -5.927
  471   1HD   LYS  58          1HD       LYS  58   8.240   4.700  -8.178
  472   2HD   LYS  58          2HD       LYS  58   7.561   6.144  -8.903
  473   1HE   LYS  58          1HE       LYS  58   9.531   7.471  -8.105
  474   2HE   LYS  58          2HE       LYS  58  10.210   6.027  -7.381
  475   1HZ   LYS  58          1HZ       LYS  58  10.266   5.029  -9.567
  476   2HZ   LYS  58          2HZ       LYS  58   9.634   6.375 -10.242
  477   3HZ   LYS  58          3HZ       LYS  58  11.115   6.424  -9.554
  478    H    CYS  59           H        CYS  59   5.026   5.794  -2.705
  479    HA   CYS  59           HA       CYS  59   7.339   4.132  -2.097
  480   1HB   CYS  59          1HB       CYS  59   7.083   4.859   0.187
  481   2HB   CYS  59          2HB       CYS  59   7.160   6.239  -0.889
  482    H    ASN  60           H        ASN  60   3.759   4.433  -1.715
  483    HA   ASN  60           HA       ASN  60   3.590   1.943  -0.362
  484   1HB   ASN  60          1HB       ASN  60   1.134   2.320  -0.513
  485   2HB   ASN  60          2HB       ASN  60   1.942   3.776   0.035
  486   1HD2  ASN  60          2HD2      ASN  60  -0.602   3.693  -1.130
  487   2HD2  ASN  60          1HD2      ASN  60  -0.583   4.554  -2.633
  488   1H    HOH  61          1H        HOH  61  -1.720  -9.833   3.270
  489   2H    HOH  61          2H        HOH  61  -0.291  -9.557   3.683
  490   1H    HOH  62          1H        HOH  62   5.183 -12.211   4.141
  491   2H    HOH  62          2H        HOH  62   4.745 -12.218   2.692
  Start of MODEL    5
    1    H    LEU   1           H        LEU   1   3.257  15.347  -5.121
    2    HA   LEU   1           HA       LEU   1   2.649  13.252  -3.234
    3   1HB   LEU   1          1HB       LEU   1   0.858  15.345  -4.472
    4   2HB   LEU   1          2HB       LEU   1   0.471  14.312  -3.109
    5    HG   LEU   1           HG       LEU   1   2.508  16.548  -3.205
    6   1HD1  LEU   1          1HD1      LEU   1   0.122  17.178  -2.941
    7   2HD1  LEU   1          2HD1      LEU   1   0.056  16.189  -1.462
    8   3HD1  LEU   1          3HD1      LEU   1   1.129  17.607  -1.538
    9   1HD2  LEU   1          1HD2      LEU   1   2.096  14.405  -1.119
   10   2HD2  LEU   1          2HD2      LEU   1   3.603  14.918  -1.916
   11   3HD2  LEU   1          3HD2      LEU   1   2.813  15.988  -0.733
   12    H    LYS   2           H        LYS   2   3.450  11.704  -5.095
   13    HA   LYS   2           HA       LYS   2   1.038  10.955  -6.595
   14   1HB   LYS   2          1HB       LYS   2   3.913  10.839  -7.555
   15   2HB   LYS   2          2HB       LYS   2   2.542  10.152  -8.402
   16   1HG   LYS   2          1HG       LYS   2   1.475  12.447  -8.453
   17   2HG   LYS   2          2HG       LYS   2   2.917  13.103  -7.704
   18   1HD   LYS   2          1HD       LYS   2   3.343  13.475  -9.988
   19   2HD   LYS   2          2HD       LYS   2   4.208  11.979  -9.697
   20   1HE   LYS   2          1HE       LYS   2   2.281  10.668 -10.569
   21   2HE   LYS   2          2HE       LYS   2   1.366  12.143 -10.809
   22   1HZ   LYS   2          1HZ       LYS   2   3.912  11.502 -12.129
   23   2HZ   LYS   2          2HZ       LYS   2   2.436  11.432 -12.824
   24   3HZ   LYS   2          3HZ       LYS   2   3.051  12.871 -12.356
   25    H    CYS   3           H        CYS   3   0.320   8.915  -6.214
   26    HA   CYS   3           HA       CYS   3   2.246   7.024  -5.112
   27   1HB   CYS   3          1HB       CYS   3  -0.518   7.198  -3.948
   28   2HB   CYS   3          2HB       CYS   3   0.898   6.379  -3.317
   29    H    LYS   4           H        LYS   4   1.270   4.715  -5.244
   30    HA   LYS   4           HA       LYS   4  -0.093   4.514  -7.802
   31   1HB   LYS   4          1HB       LYS   4   1.453   2.570  -6.081
   32   2HB   LYS   4          2HB       LYS   4   0.495   2.037  -7.448
   33   1HG   LYS   4          1HG       LYS   4   2.306   4.356  -7.986
   34   2HG   LYS   4          2HG       LYS   4   3.115   2.843  -7.631
   35   1HD   LYS   4          1HD       LYS   4   1.824   1.701  -9.419
   36   2HD   LYS   4          2HD       LYS   4   0.934   3.175  -9.745
   37   1HE   LYS   4          1HE       LYS   4   3.082   4.327 -10.351
   38   2HE   LYS   4          2HE       LYS   4   3.957   2.840 -10.049
   39   1HZ   LYS   4          1HZ       LYS   4   2.640   1.789 -11.765
   40   2HZ   LYS   4          2HZ       LYS   4   1.829   3.178 -12.048
   41   3HZ   LYS   4          3HZ       LYS   4   3.429   3.087 -12.363
   42    H    LYS   5           H        LYS   5  -1.920   2.973  -8.059
   43    HA   LYS   5           HA       LYS   5  -3.722   3.292  -5.807
   44   1HB   LYS   5          1HB       LYS   5  -4.297   2.246  -8.593
   45   2HB   LYS   5          2HB       LYS   5  -5.469   2.732  -7.384
   46   1HG   LYS   5          1HG       LYS   5  -4.191   5.046  -7.431
   47   2HG   LYS   5          2HG       LYS   5  -3.552   4.478  -8.960
   48   1HD   LYS   5          1HD       LYS   5  -5.483   5.576  -9.687
   49   2HD   LYS   5          2HD       LYS   5  -6.090   3.940  -9.519
   50   1HE   LYS   5          1HE       LYS   5  -6.937   4.483  -7.229
   51   2HE   LYS   5          2HE       LYS   5  -6.319   6.116  -7.383
   52   1HZ   LYS   5          1HZ       LYS   5  -8.345   4.902  -9.132
   53   2HZ   LYS   5          2HZ       LYS   5  -8.634   5.996  -7.955
   54   3HZ   LYS   5          3HZ       LYS   5  -7.770   6.424  -9.273
   55    H    LEU   6           H        LEU   6  -5.420   1.079  -6.192
   56    HA   LEU   6           HA       LEU   6  -4.227  -0.813  -4.602
   57   1HB   LEU   6          1HB       LEU   6  -6.518  -1.122  -6.548
   58   2HB   LEU   6          2HB       LEU   6  -6.108  -2.267  -5.286
   59    HG   LEU   6           HG       LEU   6  -6.358   0.248  -4.008
   60   1HD1  LEU   6          1HD1      LEU   6  -7.528   1.094  -5.970
   61   2HD1  LEU   6          2HD1      LEU   6  -8.660  -0.278  -5.908
   62   3HD1  LEU   6          3HD1      LEU   6  -8.643   0.922  -4.594
   63   1HD2  LEU   6          1HD2      LEU   6  -6.842  -1.999  -3.080
   64   2HD2  LEU   6          2HD2      LEU   6  -8.151  -0.825  -2.800
   65   3HD2  LEU   6          3HD2      LEU   6  -8.320  -2.060  -4.070
   66    H    VAL   7           H        VAL   7  -4.318  -0.529  -8.178
   67    HA   VAL   7           HA       VAL   7  -2.733  -2.980  -8.348
   68    HB   VAL   7           HB       VAL   7  -4.061  -1.336 -10.511
   69   1HG1  VAL   7          1HG1      VAL   7  -2.110  -2.712 -11.237
   70   2HG1  VAL   7          2HG1      VAL   7  -2.951  -4.159 -10.629
   71   3HG1  VAL   7          3HG1      VAL   7  -3.650  -3.220 -11.969
   72   1HG2  VAL   7          1HG2      VAL   7  -4.999  -3.823  -9.048
   73   2HG2  VAL   7          2HG2      VAL   7  -5.784  -2.226  -9.093
   74   3HG2  VAL   7          3HG2      VAL   7  -5.716  -3.225 -10.564
   75    HA   PRO   8           HA       PRO   8   0.784  -0.491  -8.893
   76   1HB   PRO   8          1HB       PRO   8   2.588  -2.464  -9.462
   77   2HB   PRO   8          2HB       PRO   8   2.123  -2.033  -7.828
   78   1HG   PRO   8          1HG       PRO   8   1.323  -4.391  -9.422
   79   2HG   PRO   8          2HG       PRO   8   1.226  -4.153  -7.688
   80   1HD   PRO   8          1HD       PRO   8  -0.940  -4.012  -9.564
   81   2HD   PRO   8          2HD       PRO   8  -1.014  -3.660  -7.848
   82    H    LEU   9           H        LEU   9  -0.819   0.029 -10.878
   83    HA   LEU   9           HA       LEU   9   1.030  -0.099 -13.123
   84   1HB   LEU   9          1HB       LEU   9  -1.742  -1.241 -13.070
   85   2HB   LEU   9          2HB       LEU   9  -1.101  -0.560 -14.553
   86    HG   LEU   9           HG       LEU   9   0.521  -2.607 -13.075
   87   1HD1  LEU   9          1HD1      LEU   9  -1.985  -3.141 -14.661
   88   2HD1  LEU   9          2HD1      LEU   9  -0.670  -4.336 -14.560
   89   3HD1  LEU   9          3HD1      LEU   9  -1.492  -3.790 -13.078
   90   1HD2  LEU   9          1HD2      LEU   9   1.498  -1.426 -14.993
   91   2HD2  LEU   9          2HD2      LEU   9   1.307  -3.167 -15.310
   92   3HD2  LEU   9          3HD2      LEU   9   0.166  -2.002 -16.024
   93    H    PHE  10           H        PHE  10  -2.070   1.135 -11.731
   94    HA   PHE  10           HA       PHE  10  -1.702   3.565 -13.304
   95   1HB   PHE  10          1HB       PHE  10  -3.920   2.125 -11.800
   96   2HB   PHE  10          2HB       PHE  10  -4.075   3.860 -11.988
   97    HD1  PHE  10           HD1      PHE  10  -3.897   0.661 -13.801
   98    HD2  PHE  10           HD2      PHE  10  -4.630   4.830 -14.104
   99    HE1  PHE  10           HE1      PHE  10  -4.852   0.327 -16.099
  100    HE2  PHE  10           HE2      PHE  10  -5.584   4.496 -16.401
  101    HZ   PHE  10           HZ       PHE  10  -5.684   2.248 -17.371
  102    H    SER  11           H        SER  11  -1.550   5.636 -12.340
  103    HA   SER  11           HA       SER  11  -1.377   5.638  -9.445
  104   1HB   SER  11          1HB       SER  11   0.660   7.268  -9.813
  105   2HB   SER  11          2HB       SER  11   0.920   5.535  -9.849
  106    HG   SER  11           HG       SER  11   0.918   5.576 -12.145
  107    H    LYS  12           H        LYS  12  -1.776   7.776  -8.492
  108    HA   LYS  12           HA       LYS  12  -2.593   9.844 -10.369
  109   1HB   LYS  12          1HB       LYS  12  -4.497   8.134  -9.367
  110   2HB   LYS  12          2HB       LYS  12  -4.532   9.429  -8.187
  111   1HG   LYS  12          1HG       LYS  12  -6.024  10.270  -9.774
  112   2HG   LYS  12          2HG       LYS  12  -4.533  11.009 -10.323
  113   1HD   LYS  12          1HD       LYS  12  -4.208   9.140 -11.957
  114   2HD   LYS  12          2HD       LYS  12  -5.698   8.401 -11.408
  115   1HE   LYS  12          1HE       LYS  12  -5.584  11.240 -12.521
  116   2HE   LYS  12          2HE       LYS  12  -5.872   9.839 -13.534
  117   1HZ   LYS  12          1HZ       LYS  12  -7.741   9.316 -12.009
  118   2HZ   LYS  12          2HZ       LYS  12  -7.532  10.776 -11.305
  119   3HZ   LYS  12          3HZ       LYS  12  -7.943  10.681 -12.883
  120    H    THR  13           H        THR  13  -3.043  11.951  -9.138
  121    HA   THR  13           HA       THR  13  -1.036  12.137  -7.011
  122    HB   THR  13           HB       THR  13  -2.388  14.301  -8.706
  123    HG1  THR  13           HG1      THR  13  -1.109  12.911 -10.033
  124   1HG2  THR  13          1HG2      THR  13  -1.098  14.865  -6.459
  125   2HG2  THR  13          2HG2      THR  13   0.350  14.413  -7.391
  126   3HG2  THR  13          3HG2      THR  13  -0.676  15.760  -7.940
  127    H    CYS  14           H        CYS  14  -1.576  12.358  -4.935
  128    HA   CYS  14           HA       CYS  14  -4.196  12.191  -4.102
  129   1HB   CYS  14          1HB       CYS  14  -1.962  13.412  -2.482
  130   2HB   CYS  14          2HB       CYS  14  -3.390  12.584  -1.894
  131    HA   PRO  15           HA       PRO  15  -5.448  16.345  -4.667
  132   1HB   PRO  15          1HB       PRO  15  -7.904  16.209  -3.478
  133   2HB   PRO  15          2HB       PRO  15  -7.611  15.706  -5.130
  134   1HG   PRO  15          1HG       PRO  15  -8.031  14.032  -2.731
  135   2HG   PRO  15          2HG       PRO  15  -8.161  13.582  -4.420
  136   1HD   PRO  15          1HD       PRO  15  -5.996  12.968  -2.642
  137   2HD   PRO  15          2HD       PRO  15  -6.074  12.620  -4.357
  138    H    ALA  16           H        ALA  16  -5.981  18.368  -3.563
  139    HA   ALA  16           HA       ALA  16  -4.332  18.888  -1.513
  140   1HB   ALA  16          1HB       ALA  16  -7.109  20.033  -2.018
  141   2HB   ALA  16          2HB       ALA  16  -5.864  20.790  -0.995
  142   3HB   ALA  16          3HB       ALA  16  -5.582  20.591  -2.742
  143    H    GLY  17           H        GLY  17  -4.166  18.452   0.649
  144   1HA   GLY  17          1HA       GLY  17  -5.356  18.230   2.756
  145   2HA   GLY  17          2HA       GLY  17  -6.520  17.206   1.939
  146    H    LYS  18           H        LYS  18  -4.798  15.590   0.335
  147    HA   LYS  18           HA       LYS  18  -3.497  14.057   2.464
  148   1HB   LYS  18          1HB       LYS  18  -4.513  13.177  -0.256
  149   2HB   LYS  18          2HB       LYS  18  -3.748  12.137   0.928
  150   1HG   LYS  18          1HG       LYS  18  -5.863  11.767   1.703
  151   2HG   LYS  18          2HG       LYS  18  -5.704  13.334   2.473
  152   1HD   LYS  18          1HD       LYS  18  -6.631  14.389   0.339
  153   2HD   LYS  18          2HD       LYS  18  -6.941  12.772  -0.262
  154   1HE   LYS  18          1HE       LYS  18  -8.071  13.877   2.354
  155   2HE   LYS  18          2HE       LYS  18  -8.950  13.843   0.838
  156   1HZ   LYS  18          1HZ       LYS  18  -8.510  11.401   0.842
  157   2HZ   LYS  18          2HZ       LYS  18  -7.991  11.545   2.384
  158   3HZ   LYS  18          3HZ       LYS  18  -9.533  11.925   2.003
  159    H    ASN  19           H        ASN  19  -1.317  13.685   2.447
  160    HA   ASN  19           HA       ASN  19   0.084  14.347  -0.001
  161   1HB   ASN  19          1HB       ASN  19   0.679  15.472   2.781
  162   2HB   ASN  19          2HB       ASN  19   1.867  15.493   1.493
  163   1HD2  ASN  19          2HD2      ASN  19   2.006  17.620   1.135
  164   2HD2  ASN  19          1HD2      ASN  19   0.722  18.632   0.562
  165    H    LEU  20           H        LEU  20  -0.735  11.906   1.737
  166    HA   LEU  20           HA       LEU  20   1.959  10.787   1.928
  167   1HB   LEU  20          1HB       LEU  20  -0.181  10.578   4.050
  168   2HB   LEU  20          2HB       LEU  20   1.281   9.613   4.008
  169    HG   LEU  20           HG       LEU  20   1.337  12.635   4.109
  170   1HD1  LEU  20          1HD1      LEU  20   0.067  11.759   6.041
  171   2HD1  LEU  20          2HD1      LEU  20   1.463  10.743   6.472
  172   3HD1  LEU  20          3HD1      LEU  20   1.609  12.516   6.508
  173   1HD2  LEU  20          1HD2      LEU  20   3.393  10.474   4.602
  174   2HD2  LEU  20          2HD2      LEU  20   3.418  11.767   3.380
  175   3HD2  LEU  20          3HD2      LEU  20   3.614  12.168   5.103
  176    H    CYS  21           H        CYS  21   1.962   8.391   1.781
  177    HA   CYS  21           HA       CYS  21  -0.384   7.511   0.261
  178   1HB   CYS  21          1HB       CYS  21   2.333   6.254   0.013
  179   2HB   CYS  21          2HB       CYS  21   0.978   6.187  -1.097
  180    H    TYR  22           H        TYR  22  -1.636   6.155   1.499
  181    HA   TYR  22           HA       TYR  22  -0.340   4.686   3.660
  182   1HB   TYR  22          1HB       TYR  22  -2.533   4.762   4.579
  183   2HB   TYR  22          2HB       TYR  22  -2.596   6.187   3.560
  184    HD1  TYR  22           HD1      TYR  22  -3.412   2.539   3.577
  185    HD2  TYR  22           HD2      TYR  22  -4.230   6.380   1.878
  186    HE1  TYR  22           HE1      TYR  22  -5.410   1.573   2.336
  187    HE2  TYR  22           HE2      TYR  22  -6.225   5.401   0.643
  188    HH   TYR  22           HH       TYR  22  -7.007   1.945   0.936
  189    H    LYS  23           H        LYS  23  -0.584   2.402   3.931
  190    HA   LYS  23           HA       LYS  23  -1.688   0.976   1.639
  191   1HB   LYS  23          1HB       LYS  23   0.234  -0.203   1.128
  192   2HB   LYS  23          2HB       LYS  23   0.859   1.406   1.429
  193   1HG   LYS  23          1HG       LYS  23   1.269   0.665   3.863
  194   2HG   LYS  23          2HG       LYS  23   0.896  -0.967   3.344
  195   1HD   LYS  23          1HD       LYS  23   3.204  -0.982   3.048
  196   2HD   LYS  23          2HD       LYS  23   2.707  -0.461   1.450
  197   1HE   LYS  23          1HE       LYS  23   2.984   1.947   2.204
  198   2HE   LYS  23          2HE       LYS  23   3.600   1.361   3.736
  199   1HZ   LYS  23          1HZ       LYS  23   5.351   0.236   2.533
  200   2HZ   LYS  23          2HZ       LYS  23   4.777   0.783   1.105
  201   3HZ   LYS  23          3HZ       LYS  23   5.369   1.836   2.204
  202    H    MET  24           H        MET  24  -2.866  -0.790   2.245
  203    HA   MET  24           HA       MET  24  -2.742  -1.414   5.087
  204   1HB   MET  24          1HB       MET  24  -4.928  -0.595   4.012
  205   2HB   MET  24          2HB       MET  24  -4.935  -2.050   3.036
  206   1HG   MET  24          1HG       MET  24  -4.872  -3.410   5.199
  207   2HG   MET  24          2HG       MET  24  -5.068  -1.911   6.086
  208   1HE   MET  24          1HE       MET  24  -6.670  -4.677   4.046
  209   2HE   MET  24          2HE       MET  24  -6.984  -4.668   5.798
  210   3HE   MET  24          3HE       MET  24  -8.330  -4.467   4.651
  211    H    PHE  25           H        PHE  25  -1.880  -3.349   5.708
  212    HA   PHE  25           HA       PHE  25  -1.999  -5.541   3.774
  213   1HB   PHE  25          1HB       PHE  25   0.352  -5.902   4.027
  214   2HB   PHE  25          2HB       PHE  25   0.262  -4.152   4.034
  215    HD1  PHE  25           HD1      PHE  25   0.589  -2.897   6.105
  216    HD2  PHE  25           HD2      PHE  25   0.888  -7.129   6.046
  217    HE1  PHE  25           HE1      PHE  25   1.727  -2.847   8.341
  218    HE2  PHE  25           HE2      PHE  25   2.026  -7.080   8.282
  219    HZ   PHE  25           HZ       PHE  25   2.432  -4.939   9.403
  220    H    MET  26           H        MET  26  -1.686  -7.708   4.802
  221    HA   MET  26           HA       MET  26  -2.982  -7.675   7.371
  222   1HB   MET  26          1HB       MET  26  -2.489  -9.651   5.143
  223   2HB   MET  26          2HB       MET  26  -2.686 -10.329   6.747
  224   1HG   MET  26          1HG       MET  26  -4.929 -10.229   6.294
  225   2HG   MET  26          2HG       MET  26  -4.780  -8.530   6.698
  226   1HE   MET  26          1HE       MET  26  -7.109  -9.420   4.937
  227   2HE   MET  26          2HE       MET  26  -6.741  -7.707   5.251
  228   3HE   MET  26          3HE       MET  26  -7.051  -8.260   3.588
  229    H    VAL  27           H        VAL  27  -2.057  -8.323   9.314
  230    HA   VAL  27           HA       VAL  27   0.751  -8.340   9.471
  231    HB   VAL  27           HB       VAL  27  -1.437  -9.057  11.428
  232   1HG1  VAL  27          1HG1      VAL  27   1.546  -9.074  11.715
  233   2HG1  VAL  27          2HG1      VAL  27   0.559  -8.494  13.079
  234   3HG1  VAL  27          3HG1      VAL  27   0.320 -10.139  12.442
  235   1HG2  VAL  27          1HG2      VAL  27  -1.345  -6.700  10.584
  236   2HG2  VAL  27          2HG2      VAL  27  -1.089  -6.854  12.339
  237   3HG2  VAL  27          3HG2      VAL  27   0.297  -6.571  11.258
  238    H    ALA  28           H        ALA  28   1.090 -10.043   7.747
  239    HA   ALA  28           HA       ALA  28   1.710 -12.499   9.030
  240   1HB   ALA  28          1HB       ALA  28  -0.582 -12.418   7.030
  241   2HB   ALA  28          2HB       ALA  28   0.277 -13.905   7.501
  242   3HB   ALA  28          3HB       ALA  28  -0.639 -12.983   8.717
  243    H    ALA  29           H        ALA  29   1.147 -10.658   5.980
  244    HA   ALA  29           HA       ALA  29   3.682 -11.788   5.006
  245   1HB   ALA  29          1HB       ALA  29   1.172 -11.039   3.452
  246   2HB   ALA  29          2HB       ALA  29   2.717 -11.539   2.722
  247   3HB   ALA  29          3HB       ALA  29   1.797 -12.683   3.728
  248    HA   PRO  30           HA       PRO  30   4.113  -7.316   5.423
  249   1HB   PRO  30          1HB       PRO  30   6.518  -7.318   6.721
  250   2HB   PRO  30          2HB       PRO  30   4.979  -7.257   7.556
  251   1HG   PRO  30          1HG       PRO  30   6.843  -9.533   7.270
  252   2HG   PRO  30          2HG       PRO  30   5.542  -9.317   8.424
  253   1HD   PRO  30          1HD       PRO  30   5.505 -10.981   6.088
  254   2HD   PRO  30          2HD       PRO  30   4.167 -10.675   7.178
  255    H    HIS  31           H        HIS  31   4.256  -8.349   3.025
  256    HA   HIS  31           HA       HIS  31   6.668  -7.097   2.066
  257   1HB   HIS  31          1HB       HIS  31   7.495  -9.323   2.399
  258   2HB   HIS  31          2HB       HIS  31   6.085 -10.034   1.639
  259    HD1  HIS  31           HD1      HIS  31   6.799 -11.007  -0.541
  260    HD2  HIS  31           HD2      HIS  31   8.612  -7.296   0.189
  261    HE1  HIS  31           HE1      HIS  31   8.196 -10.475  -2.609
  262    H    VAL  32           H        VAL  32   3.712  -9.038   1.278
  263    HA   VAL  32           HA       VAL  32   3.408  -7.412  -1.134
  264    HB   VAL  32           HB       VAL  32   2.011  -9.944  -0.246
  265   1HG1  VAL  32          1HG1      VAL  32   1.943  -8.439  -2.883
  266   2HG1  VAL  32          2HG1      VAL  32   1.243 -10.053  -2.606
  267   3HG1  VAL  32          3HG1      VAL  32   0.600  -8.641  -1.733
  268   1HG2  VAL  32          1HG2      VAL  32   4.302  -9.501  -2.186
  269   2HG2  VAL  32          2HG2      VAL  32   4.335 -10.425  -0.666
  270   3HG2  VAL  32          3HG2      VAL  32   3.380 -11.017  -2.046
  271    HA   PRO  33           HA       PRO  33   0.406  -5.182   1.119
  272   1HB   PRO  33          1HB       PRO  33  -0.138  -3.306  -0.793
  273   2HB   PRO  33          2HB       PRO  33   1.191  -3.162   0.340
  274   1HG   PRO  33          1HG       PRO  33   1.269  -3.869  -2.530
  275   2HG   PRO  33          2HG       PRO  33   2.573  -3.311  -1.501
  276   1HD   PRO  33          1HD       PRO  33   2.112  -6.002  -2.378
  277   2HD   PRO  33          2HD       PRO  33   3.346  -5.463  -1.257
  278    H    VAL  34           H        VAL  34  -1.902  -4.250   0.710
  279    HA   VAL  34           HA       VAL  34  -3.239  -6.272  -0.952
  280    HB   VAL  34           HB       VAL  34  -4.260  -5.051   1.617
  281   1HG1  VAL  34          1HG1      VAL  34  -5.994  -5.800   0.017
  282   2HG1  VAL  34          2HG1      VAL  34  -5.262  -7.423   0.005
  283   3HG1  VAL  34          3HG1      VAL  34  -5.976  -6.780   1.503
  284   1HG2  VAL  34          1HG2      VAL  34  -2.214  -6.534   1.882
  285   2HG2  VAL  34          2HG2      VAL  34  -3.668  -7.042   2.775
  286   3HG2  VAL  34          3HG2      VAL  34  -3.214  -7.873   1.268
  287    H    LYS  35           H        LYS  35  -3.772  -3.068   0.690
  288    HA   LYS  35           HA       LYS  35  -5.030  -2.196  -1.819
  289   1HB   LYS  35          1HB       LYS  35  -5.794  -1.383   1.002
  290   2HB   LYS  35          2HB       LYS  35  -6.526  -0.794  -0.477
  291   1HG   LYS  35          1HG       LYS  35  -7.806  -2.668  -0.724
  292   2HG   LYS  35          2HG       LYS  35  -6.459  -3.739  -0.393
  293   1HD   LYS  35          1HD       LYS  35  -6.737  -3.455   2.025
  294   2HD   LYS  35          2HD       LYS  35  -7.932  -2.195   1.790
  295   1HE   LYS  35          1HE       LYS  35  -8.368  -4.977   0.641
  296   2HE   LYS  35          2HE       LYS  35  -8.761  -4.630   2.313
  297   1HZ   LYS  35          1HZ       LYS  35 -10.159  -2.816   1.514
  298   2HZ   LYS  35          2HZ       LYS  35  -9.837  -3.227  -0.033
  299   3HZ   LYS  35          3HZ       LYS  35 -10.650  -4.262   0.934
  300    H    ARG  36           H        ARG  36  -4.781   0.133  -2.300
  301    HA   ARG  36           HA       ARG  36  -2.672   1.406  -0.816
  302   1HB   ARG  36          1HB       ARG  36  -2.506   0.826  -3.816
  303   2HB   ARG  36          2HB       ARG  36  -1.458   1.967  -2.996
  304   1HG   ARG  36          1HG       ARG  36  -0.090   0.145  -2.733
  305   2HG   ARG  36          2HG       ARG  36  -1.125  -0.199  -1.361
  306   1HD   ARG  36          1HD       ARG  36  -1.975  -2.069  -2.351
  307   2HD   ARG  36          2HD       ARG  36  -2.322  -1.214  -3.841
  308    HE   ARG  36           HE       ARG  36  -0.208  -3.017  -3.537
  309   1HH1  ARG  36          1HH1      ARG  36  -0.510   0.356  -4.495
  310   2HH1  ARG  36          2HH1      ARG  36   0.882   0.320  -5.526
  311   1HH2  ARG  36          1HH2      ARG  36   1.628  -3.064  -4.897
  312   2HH2  ARG  36          2HH2      ARG  36   2.106  -1.638  -5.756
  313    H    GLY  37           H        GLY  37  -3.277   3.532  -0.507
  314   1HA   GLY  37          1HA       GLY  37  -4.666   4.950  -2.644
  315   2HA   GLY  37          2HA       GLY  37  -5.552   4.722  -1.150
  316    H    CYS  38           H        CYS  38  -5.363   7.246  -1.409
  317    HA   CYS  38           HA       CYS  38  -2.803   8.158  -0.356
  318   1HB   CYS  38          1HB       CYS  38  -5.089   9.574  -1.718
  319   2HB   CYS  38          2HB       CYS  38  -3.852  10.451  -0.839
  320    H    ILE  39           H        ILE  39  -3.043   9.972   1.384
  321    HA   ILE  39           HA       ILE  39  -5.433  10.006   2.911
  322    HB   ILE  39           HB       ILE  39  -4.326   7.737   3.409
  323   1HG1  ILE  39          1HG1      ILE  39  -4.759   9.226   5.952
  324   2HG1  ILE  39          2HG1      ILE  39  -6.058   9.280   4.777
  325   1HG2  ILE  39          1HG2      ILE  39  -2.031   8.557   3.645
  326   2HG2  ILE  39          2HG2      ILE  39  -2.520   9.537   5.049
  327   3HG2  ILE  39          3HG2      ILE  39  -2.597   7.761   5.133
  328   1HD1  ILE  39          1HD1      ILE  39  -4.734   6.719   5.784
  329   2HD1  ILE  39          2HD1      ILE  39  -6.299   7.355   6.345
  330   3HD1  ILE  39          3HD1      ILE  39  -6.111   6.812   4.660
  331    H    ASP  40           H        ASP  40  -5.083  11.362   4.957
  332    HA   ASP  40           HA       ASP  40  -3.028  13.315   4.302
  333   1HB   ASP  40          1HB       ASP  40  -5.221  14.314   4.264
  334   2HB   ASP  40          2HB       ASP  40  -5.703  13.497   5.737
  335    H    VAL  41           H        VAL  41  -4.883  11.946   7.136
  336    HA   VAL  41           HA       VAL  41  -2.473  12.313   8.765
  337    HB   VAL  41           HB       VAL  41  -4.674  13.433   9.357
  338   1HG1  VAL  41          1HG1      VAL  41  -6.059  11.389   8.795
  339   2HG1  VAL  41          2HG1      VAL  41  -5.460  10.663  10.306
  340   3HG1  VAL  41          3HG1      VAL  41  -6.424  12.157  10.358
  341   1HG2  VAL  41          1HG2      VAL  41  -3.366  11.573  11.371
  342   2HG2  VAL  41          2HG2      VAL  41  -2.851  13.226  10.958
  343   3HG2  VAL  41          3HG2      VAL  41  -4.410  12.957  11.774
  344    H    CYS  42           H        CYS  42  -1.315  10.546   9.345
  345    HA   CYS  42           HA       CYS  42  -2.009   8.029   8.373
  346   1HB   CYS  42          1HB       CYS  42   0.295   8.919   8.925
  347   2HB   CYS  42          2HB       CYS  42  -0.063   8.601  10.611
  348    HA   PRO  43           HA       PRO  43  -4.804   7.069  11.642
  349   1HB   PRO  43          1HB       PRO  43  -5.746   4.719  10.615
  350   2HB   PRO  43          2HB       PRO  43  -6.404   6.284  10.184
  351   1HG   PRO  43          1HG       PRO  43  -4.639   4.517   8.603
  352   2HG   PRO  43          2HG       PRO  43  -5.636   5.850   8.053
  353   1HD   PRO  43          1HD       PRO  43  -2.792   5.874   8.428
  354   2HD   PRO  43          2HD       PRO  43  -3.803   7.237   7.990
  355    H    LYS  44           H        LYS  44  -5.281   5.254  13.209
  356    HA   LYS  44           HA       LYS  44  -2.719   4.363  14.111
  357   1HB   LYS  44          1HB       LYS  44  -4.714   5.176  15.518
  358   2HB   LYS  44          2HB       LYS  44  -5.406   3.588  15.254
  359   1HG   LYS  44          1HG       LYS  44  -3.656   2.482  16.421
  360   2HG   LYS  44          2HG       LYS  44  -2.548   3.828  16.239
  361   1HD   LYS  44          1HD       LYS  44  -3.298   3.828  18.542
  362   2HD   LYS  44          2HD       LYS  44  -4.048   5.203  17.755
  363   1HE   LYS  44          1HE       LYS  44  -6.157   3.957  17.472
  364   2HE   LYS  44          2HE       LYS  44  -5.420   2.494  18.094
  365   1HZ   LYS  44          1HZ       LYS  44  -5.748   4.991  19.610
  366   2HZ   LYS  44          2HZ       LYS  44  -6.667   3.651  19.779
  367   3HZ   LYS  44          3HZ       LYS  44  -5.086   3.614  20.187
  368    H    SER  45           H        SER  45  -2.396   1.997  14.762
  369    HA   SER  45           HA       SER  45  -3.375   0.378  12.546
  370   1HB   SER  45          1HB       SER  45  -0.768   0.464  14.056
  371   2HB   SER  45          2HB       SER  45  -1.284  -1.074  13.393
  372    HG   SER  45           HG       SER  45  -0.897   1.398  11.931
  373    H    SER  46           H        SER  46  -3.695  -2.009  13.073
  374    HA   SER  46           HA       SER  46  -4.598  -2.252  15.837
  375   1HB   SER  46          1HB       SER  46  -6.525  -3.361  15.149
  376   2HB   SER  46          2HB       SER  46  -6.310  -2.237  13.822
  377    HG   SER  46           HG       SER  46  -6.721  -4.557  13.243
  378    H    LEU  47           H        LEU  47  -5.003  -4.927  16.126
  379    HA   LEU  47           HA       LEU  47  -2.317  -5.958  15.874
  380   1HB   LEU  47          1HB       LEU  47  -4.762  -7.141  17.197
  381   2HB   LEU  47          2HB       LEU  47  -3.118  -7.734  17.332
  382    HG   LEU  47           HG       LEU  47  -4.081  -5.031  18.309
  383   1HD1  LEU  47          1HD1      LEU  47  -5.063  -6.852  19.604
  384   2HD1  LEU  47          2HD1      LEU  47  -3.447  -7.551  19.870
  385   3HD1  LEU  47          3HD1      LEU  47  -3.855  -5.963  20.562
  386   1HD2  LEU  47          1HD2      LEU  47  -1.393  -6.406  18.475
  387   2HD2  LEU  47          2HD2      LEU  47  -1.785  -4.825  17.757
  388   3HD2  LEU  47          3HD2      LEU  47  -1.864  -5.046  19.521
  389    H    LEU  48           H        LEU  48  -5.289  -6.015  14.118
  390    HA   LEU  48           HA       LEU  48  -4.639  -8.582  12.897
  391   1HB   LEU  48          1HB       LEU  48  -6.908  -8.334  13.575
  392   2HB   LEU  48          2HB       LEU  48  -7.051  -6.776  12.785
  393    HG   LEU  48           HG       LEU  48  -6.781  -7.894  10.579
  394   1HD1  LEU  48          1HD1      LEU  48  -6.795 -10.417  12.251
  395   2HD1  LEU  48          2HD1      LEU  48  -7.087 -10.378  10.496
  396   3HD1  LEU  48          3HD1      LEU  48  -5.520  -9.842  11.150
  397   1HD2  LEU  48          1HD2      LEU  48  -9.000  -7.370  11.443
  398   2HD2  LEU  48          2HD2      LEU  48  -9.023  -8.888  10.512
  399   3HD2  LEU  48          3HD2      LEU  48  -9.056  -8.934  12.292
  400    H    VAL  49           H        VAL  49  -5.684  -5.305  11.711
  401    HA   VAL  49           HA       VAL  49  -3.959  -5.764   9.392
  402    HB   VAL  49           HB       VAL  49  -6.256  -5.354   8.862
  403   1HG1  VAL  49          1HG1      VAL  49  -5.981  -3.039  10.773
  404   2HG1  VAL  49          2HG1      VAL  49  -7.208  -3.013   9.484
  405   3HG1  VAL  49          3HG1      VAL  49  -7.228  -4.308  10.705
  406   1HG2  VAL  49          1HG2      VAL  49  -4.540  -4.334   7.402
  407   2HG2  VAL  49          2HG2      VAL  49  -6.058  -3.404   7.412
  408   3HG2  VAL  49          3HG2      VAL  49  -4.655  -2.826   8.341
  409    H    LYS  50           H        LYS  50  -2.581  -3.990   8.630
  410    HA   LYS  50           HA       LYS  50  -1.977  -2.023  10.709
  411   1HB   LYS  50          1HB       LYS  50  -0.130  -4.090   9.563
  412   2HB   LYS  50          2HB       LYS  50   0.513  -2.508   9.956
  413   1HG   LYS  50          1HG       LYS  50  -0.688  -2.806  12.264
  414   2HG   LYS  50          2HG       LYS  50  -0.832  -4.496  11.824
  415   1HD   LYS  50          1HD       LYS  50   1.253  -4.750  12.705
  416   2HD   LYS  50          2HD       LYS  50   1.840  -3.984  11.242
  417   1HE   LYS  50          1HE       LYS  50   1.037  -2.453  13.762
  418   2HE   LYS  50          2HE       LYS  50   2.684  -2.911  13.380
  419   1HZ   LYS  50          1HZ       LYS  50   2.403  -1.674  11.282
  420   2HZ   LYS  50          2HZ       LYS  50   0.953  -1.138  11.807
  421   3HZ   LYS  50          3HZ       LYS  50   2.315  -0.729  12.610
  422    H    TYR  51           H        TYR  51  -1.707   0.018   9.917
  423    HA   TYR  51           HA       TYR  51  -1.618   0.236   6.985
  424   1HB   TYR  51          1HB       TYR  51  -2.638   2.068   9.246
  425   2HB   TYR  51          2HB       TYR  51  -2.713   2.490   7.547
  426    HD1  TYR  51           HD1      TYR  51  -4.119   0.329  10.181
  427    HD2  TYR  51           HD2      TYR  51  -4.376   1.498   6.074
  428    HE1  TYR  51           HE1      TYR  51  -6.394  -0.792   9.997
  429    HE2  TYR  51           HE2      TYR  51  -6.649   0.373   5.903
  430    HH   TYR  51           HH       TYR  51  -8.262  -0.593   6.990
  431    H    VAL  52           H        VAL  52   0.477   0.597   6.376
  432    HA   VAL  52           HA       VAL  52   2.100   2.315   8.086
  433    HB   VAL  52           HB       VAL  52   2.786   0.546   5.730
  434   1HG1  VAL  52          1HG1      VAL  52   4.578   2.157   7.578
  435   2HG1  VAL  52          2HG1      VAL  52   5.147   0.928   6.423
  436   3HG1  VAL  52          3HG1      VAL  52   4.343   2.401   5.831
  437   1HG2  VAL  52          1HG2      VAL  52   2.100  -0.722   7.712
  438   2HG2  VAL  52          2HG2      VAL  52   3.845  -0.906   7.411
  439   3HG2  VAL  52          3HG2      VAL  52   3.275   0.174   8.705
  440    H    CYS  53           H        CYS  53   2.566   4.401   7.559
  441    HA   CYS  53           HA       CYS  53   1.667   5.261   4.908
  442   1HB   CYS  53          1HB       CYS  53   2.103   7.139   7.207
  443   2HB   CYS  53          2HB       CYS  53   1.114   7.348   5.776
  444    H    CYS  54           H        CYS  54   3.118   6.561   3.647
  445    HA   CYS  54           HA       CYS  54   5.748   7.011   4.809
  446   1HB   CYS  54          1HB       CYS  54   6.650   6.256   2.479
  447   2HB   CYS  54          2HB       CYS  54   6.369   5.092   3.758
  448    H    ASN  55           H        ASN  55   6.796   8.871   3.884
  449    HA   ASN  55           HA       ASN  55   4.962  10.481   2.318
  450   1HB   ASN  55          1HB       ASN  55   6.407  12.397   3.039
  451   2HB   ASN  55          2HB       ASN  55   5.804  11.498   4.417
  452   1HD2  ASN  55          2HD2      ASN  55   8.085  13.182   4.352
  453   2HD2  ASN  55          1HD2      ASN  55   9.491  12.239   4.718
  454    H    THR  56           H        THR  56   6.139   8.489   0.793
  455    HA   THR  56           HA       THR  56   8.129   9.986  -0.762
  456    HB   THR  56           HB       THR  56   9.065   7.477  -1.084
  457    HG1  THR  56           HG1      THR  56   8.027   7.622   1.650
  458   1HG2  THR  56          1HG2      THR  56   9.537   9.170   1.426
  459   2HG2  THR  56          2HG2      THR  56  10.566   7.810   0.917
  460   3HG2  THR  56          3HG2      THR  56  10.460   9.272  -0.092
  461    H    ASP  57           H        ASP  57   8.181   9.481  -3.028
  462    HA   ASP  57           HA       ASP  57   5.602   9.085  -4.013
  463   1HB   ASP  57          1HB       ASP  57   8.327   9.053  -5.390
  464   2HB   ASP  57          2HB       ASP  57   6.808   9.034  -6.263
  465    H    LYS  58           H        LYS  58   4.736   7.242  -5.188
  466    HA   LYS  58           HA       LYS  58   4.353   5.038  -5.275
  467   1HB   LYS  58          1HB       LYS  58   5.950   3.878  -6.782
  468   2HB   LYS  58          2HB       LYS  58   5.435   5.444  -7.376
  469   1HG   LYS  58          1HG       LYS  58   7.527   6.488  -6.640
  470   2HG   LYS  58          2HG       LYS  58   8.023   5.025  -5.812
  471   1HD   LYS  58          1HD       LYS  58   7.366   4.583  -8.670
  472   2HD   LYS  58          2HD       LYS  58   8.690   5.706  -8.432
  473   1HE   LYS  58          1HE       LYS  58   9.642   3.475  -8.570
  474   2HE   LYS  58          2HE       LYS  58   9.798   4.011  -6.909
  475   1HZ   LYS  58          1HZ       LYS  58   7.564   2.362  -7.861
  476   2HZ   LYS  58          2HZ       LYS  58   8.914   1.748  -7.178
  477   3HZ   LYS  58          3HZ       LYS  58   7.930   2.720  -6.310
  478    H    CYS  59           H        CYS  59   4.914   5.501  -2.694
  479    HA   CYS  59           HA       CYS  59   7.043   3.647  -1.972
  480   1HB   CYS  59          1HB       CYS  59   6.983   4.586   0.210
  481   2HB   CYS  59          2HB       CYS  59   7.040   5.898  -0.950
  482    H    ASN  60           H        ASN  60   3.522   4.363  -1.635
  483    HA   ASN  60           HA       ASN  60   3.077   2.046  -0.064
  484   1HB   ASN  60          1HB       ASN  60   0.690   2.662  -0.268
  485   2HB   ASN  60          2HB       ASN  60   1.633   4.099   0.075
  486   1HD2  ASN  60          2HD2      ASN  60  -0.968   3.770  -1.222
  487   2HD2  ASN  60          1HD2      ASN  60  -0.864   4.518  -2.781
  488   1H    HOH  61          1H        HOH  61  -1.895  -8.801   2.537
  489   2H    HOH  61          2H        HOH  61  -0.630  -8.951   3.355
  490   1H    HOH  62          1H        HOH  62   4.840 -13.828   6.494
  491   2H    HOH  62          2H        HOH  62   5.376 -14.140   5.114
  Start of MODEL    6
    1    H    LEU   1           H        LEU   1   5.089  14.192  -5.478
    2    HA   LEU   1           HA       LEU   1   3.712  13.093  -4.085
    3   1HB   LEU   1          1HB       LEU   1   2.250  15.532  -5.036
    4   2HB   LEU   1          2HB       LEU   1   1.514  14.471  -3.850
    5    HG   LEU   1           HG       LEU   1   4.286  15.566  -3.410
    6   1HD1  LEU   1          1HD1      LEU   1   1.684  16.979  -2.766
    7   2HD1  LEU   1          2HD1      LEU   1   3.293  17.452  -2.168
    8   3HD1  LEU   1          3HD1      LEU   1   2.937  17.515  -3.911
    9   1HD2  LEU   1          1HD2      LEU   1   2.091  14.641  -1.537
   10   2HD2  LEU   1          2HD2      LEU   1   3.587  13.767  -1.945
   11   3HD2  LEU   1          3HD2      LEU   1   3.669  15.296  -1.038
   12    H    LYS   2           H        LYS   2   3.785  11.334  -5.962
   13    HA   LYS   2           HA       LYS   2   0.974  10.697  -6.487
   14   1HB   LYS   2          1HB       LYS   2   1.481   9.935  -8.703
   15   2HB   LYS   2          2HB       LYS   2   2.032  11.591  -8.549
   16   1HG   LYS   2          1HG       LYS   2   4.359  10.681  -8.010
   17   2HG   LYS   2          2HG       LYS   2   3.760   9.079  -8.391
   18   1HD   LYS   2          1HD       LYS   2   4.632   9.703 -10.465
   19   2HD   LYS   2          2HD       LYS   2   2.967  10.211 -10.660
   20   1HE   LYS   2          1HE       LYS   2   4.141  12.128 -11.358
   21   2HE   LYS   2          2HE       LYS   2   3.783  12.516  -9.687
   22   1HZ   LYS   2          1HZ       LYS   2   6.303  11.333 -10.633
   23   2HZ   LYS   2          2HZ       LYS   2   6.087  12.902 -10.232
   24   3HZ   LYS   2          3HZ       LYS   2   5.967  11.743  -9.088
   25    H    CYS   3           H        CYS   3   0.451   8.459  -6.372
   26    HA   CYS   3           HA       CYS   3   2.637   6.721  -5.554
   27   1HB   CYS   3          1HB       CYS   3   0.323   7.539  -3.876
   28   2HB   CYS   3          2HB       CYS   3   0.762   5.843  -3.845
   29    H    LYS   4           H        LYS   4   1.434   4.352  -5.243
   30    HA   LYS   4           HA       LYS   4   0.039   3.993  -7.772
   31   1HB   LYS   4          1HB       LYS   4   1.337   2.006  -5.884
   32   2HB   LYS   4          2HB       LYS   4   0.552   1.589  -7.393
   33   1HG   LYS   4          1HG       LYS   4   2.147   3.203  -8.573
   34   2HG   LYS   4          2HG       LYS   4   2.997   3.385  -7.052
   35   1HD   LYS   4          1HD       LYS   4   3.390   0.901  -6.994
   36   2HD   LYS   4          2HD       LYS   4   2.580   0.749  -8.540
   37   1HE   LYS   4          1HE       LYS   4   4.285   2.308  -9.556
   38   2HE   LYS   4          2HE       LYS   4   5.114   2.375  -8.014
   39   1HZ   LYS   4          1HZ       LYS   4   5.415  -0.008  -8.143
   40   2HZ   LYS   4          2HZ       LYS   4   4.651  -0.065  -9.585
   41   3HZ   LYS   4          3HZ       LYS   4   6.073   0.726  -9.445
   42    H    LYS   5           H        LYS   5  -1.909   2.642  -7.887
   43    HA   LYS   5           HA       LYS   5  -3.577   3.141  -5.551
   44   1HB   LYS   5          1HB       LYS   5  -4.249   2.422  -8.418
   45   2HB   LYS   5          2HB       LYS   5  -5.438   2.606  -7.144
   46   1HG   LYS   5          1HG       LYS   5  -3.921   4.937  -6.886
   47   2HG   LYS   5          2HG       LYS   5  -3.923   4.682  -8.620
   48   1HD   LYS   5          1HD       LYS   5  -6.500   4.506  -7.013
   49   2HD   LYS   5          2HD       LYS   5  -5.887   6.053  -7.562
   50   1HE   LYS   5          1HE       LYS   5  -6.005   5.372  -9.896
   51   2HE   LYS   5          2HE       LYS   5  -6.310   3.702  -9.460
   52   1HZ   LYS   5          1HZ       LYS   5  -8.111   5.926  -8.791
   53   2HZ   LYS   5          2HZ       LYS   5  -8.309   4.932 -10.072
   54   3HZ   LYS   5          3HZ       LYS   5  -8.403   4.337  -8.554
   55    H    LEU   6           H        LEU   6  -5.503   1.169  -5.777
   56    HA   LEU   6           HA       LEU   6  -4.416  -0.907  -4.370
   57   1HB   LEU   6          1HB       LEU   6  -6.920  -0.570  -5.979
   58   2HB   LEU   6          2HB       LEU   6  -6.538  -2.132  -5.281
   59    HG   LEU   6           HG       LEU   6  -6.273  -0.809  -3.048
   60   1HD1  LEU   6          1HD1      LEU   6  -7.831   1.155  -4.740
   61   2HD1  LEU   6          2HD1      LEU   6  -7.860   1.150  -2.960
   62   3HD1  LEU   6          3HD1      LEU   6  -6.330   1.433  -3.824
   63   1HD2  LEU   6          1HD2      LEU   6  -8.968  -1.327  -4.332
   64   2HD2  LEU   6          2HD2      LEU   6  -7.980  -2.481  -3.404
   65   3HD2  LEU   6          3HD2      LEU   6  -8.692  -1.066  -2.593
   66    H    VAL   7           H        VAL   7  -4.837  -0.544  -7.925
   67    HA   VAL   7           HA       VAL   7  -3.497  -3.120  -8.269
   68    HB   VAL   7           HB       VAL   7  -4.902  -1.346 -10.275
   69   1HG1  VAL   7          1HG1      VAL   7  -3.170  -2.880 -11.208
   70   2HG1  VAL   7          2HG1      VAL   7  -4.061  -4.254 -10.510
   71   3HG1  VAL   7          3HG1      VAL   7  -4.819  -3.248 -11.767
   72   1HG2  VAL   7          1HG2      VAL   7  -5.893  -3.754  -8.719
   73   2HG2  VAL   7          2HG2      VAL   7  -6.534  -2.094  -8.679
   74   3HG2  VAL   7          3HG2      VAL   7  -6.713  -3.082 -10.149
   75    HA   PRO   8           HA       PRO   8   0.144  -0.947  -9.201
   76   1HB   PRO   8          1HB       PRO   8   1.683  -3.057 -10.008
   77   2HB   PRO   8          2HB       PRO   8   1.451  -2.629  -8.325
   78   1HG   PRO   8          1HG       PRO   8   0.260  -4.864  -9.850
   79   2HG   PRO   8          2HG       PRO   8   0.386  -4.664  -8.114
   80   1HD   PRO   8          1HD       PRO   8  -1.959  -4.282  -9.720
   81   2HD   PRO   8          2HD       PRO   8  -1.803  -3.971  -8.002
   82    H    LEU   9           H        LEU   9  -1.633  -0.247 -10.978
   83    HA   LEU   9           HA       LEU   9  -0.063  -0.438 -13.416
   84   1HB   LEU   9          1HB       LEU   9  -2.850  -1.469 -13.068
   85   2HB   LEU   9          2HB       LEU   9  -2.388  -0.740 -14.593
   86    HG   LEU   9           HG       LEU   9  -0.695  -2.924 -13.408
   87   1HD1  LEU   9          1HD1      LEU   9  -3.277  -3.306 -14.942
   88   2HD1  LEU   9          2HD1      LEU   9  -2.043  -4.570 -14.721
   89   3HD1  LEU   9          3HD1      LEU   9  -2.882  -3.889 -13.307
   90   1HD2  LEU   9          1HD2      LEU   9   0.184  -1.685 -15.320
   91   2HD2  LEU   9          2HD2      LEU   9  -0.168  -3.374 -15.756
   92   3HD2  LEU   9          3HD2      LEU   9  -1.276  -2.076 -16.260
   93    H    PHE  10           H        PHE  10  -2.922   0.921 -11.673
   94    HA   PHE  10           HA       PHE  10  -2.573   3.374 -13.220
   95   1HB   PHE  10          1HB       PHE  10  -4.728   2.119 -11.439
   96   2HB   PHE  10          2HB       PHE  10  -4.822   3.816 -11.868
   97    HD1  PHE  10           HD1      PHE  10  -5.053   0.387 -13.131
   98    HD2  PHE  10           HD2      PHE  10  -5.360   4.500 -14.129
   99    HE1  PHE  10           HE1      PHE  10  -6.191  -0.220 -15.284
  100    HE2  PHE  10           HE2      PHE  10  -6.498   3.893 -16.283
  101    HZ   PHE  10           HZ       PHE  10  -6.900   1.540 -16.834
  102    H    SER  11           H        SER  11  -1.930   5.300 -12.285
  103    HA   SER  11           HA       SER  11  -1.387   5.129  -9.424
  104   1HB   SER  11          1HB       SER  11   0.315   7.049 -10.081
  105   2HB   SER  11          2HB       SER  11   0.742   5.368 -10.326
  106    HG   SER  11           HG       SER  11   1.191   6.670 -12.215
  107    H    LYS  12           H        LYS  12  -1.811   7.055  -8.133
  108    HA   LYS  12           HA       LYS  12  -3.364   9.111  -9.524
  109   1HB   LYS  12          1HB       LYS  12  -5.050   7.710  -8.616
  110   2HB   LYS  12          2HB       LYS  12  -4.194   7.510  -7.101
  111   1HG   LYS  12          1HG       LYS  12  -4.588   9.816  -6.462
  112   2HG   LYS  12          2HG       LYS  12  -5.142  10.240  -8.069
  113   1HD   LYS  12          1HD       LYS  12  -6.671   8.004  -6.863
  114   2HD   LYS  12          2HD       LYS  12  -6.778   9.489  -5.938
  115   1HE   LYS  12          1HE       LYS  12  -8.584   9.473  -7.583
  116   2HE   LYS  12          2HE       LYS  12  -7.440  10.722  -8.033
  117   1HZ   LYS  12          1HZ       LYS  12  -7.363   8.007  -9.146
  118   2HZ   LYS  12          2HZ       LYS  12  -8.145   9.250  -9.860
  119   3HZ   LYS  12          3HZ       LYS  12  -6.525   9.309  -9.665
  120    H    THR  13           H        THR  13  -3.124  11.218  -8.694
  121    HA   THR  13           HA       THR  13  -0.820  11.484  -6.911
  122    HB   THR  13           HB       THR  13  -2.275  13.470  -8.737
  123    HG1  THR  13           HG1      THR  13  -0.461  12.922 -10.096
  124   1HG2  THR  13          1HG2      THR  13  -0.754  14.286  -6.692
  125   2HG2  THR  13          2HG2      THR  13   0.574  13.725  -7.738
  126   3HG2  THR  13          3HG2      THR  13  -0.531  14.999  -8.308
  127    H    CYS  14           H        CYS  14  -0.979  12.072  -4.837
  128    HA   CYS  14           HA       CYS  14  -3.457  12.239  -3.612
  129   1HB   CYS  14          1HB       CYS  14  -0.794  13.264  -2.605
  130   2HB   CYS  14          2HB       CYS  14  -2.221  12.983  -1.628
  131    HA   PRO  15           HA       PRO  15  -4.256  16.416  -4.806
  132   1HB   PRO  15          1HB       PRO  15  -6.878  16.488  -4.039
  133   2HB   PRO  15          2HB       PRO  15  -6.354  15.911  -5.608
  134   1HG   PRO  15          1HG       PRO  15  -7.284  14.351  -3.276
  135   2HG   PRO  15          2HG       PRO  15  -7.166  13.854  -4.953
  136   1HD   PRO  15          1HD       PRO  15  -5.374  13.154  -2.825
  137   2HD   PRO  15          2HD       PRO  15  -5.194  12.755  -4.522
  138    H    ALA  16           H        ALA  16  -5.477  18.392  -3.700
  139    HA   ALA  16           HA       ALA  16  -3.930  19.014  -1.506
  140   1HB   ALA  16          1HB       ALA  16  -6.660  20.070  -2.348
  141   2HB   ALA  16          2HB       ALA  16  -5.554  20.874  -1.208
  142   3HB   ALA  16          3HB       ALA  16  -5.079  20.663  -2.910
  143    H    GLY  17           H        GLY  17  -4.118  18.758   0.708
  144   1HA   GLY  17          1HA       GLY  17  -5.495  18.437   2.634
  145   2HA   GLY  17          2HA       GLY  17  -6.560  17.417   1.687
  146    H    LYS  18           H        LYS  18  -4.515  15.887   0.274
  147    HA   LYS  18           HA       LYS  18  -3.461  14.362   2.552
  148   1HB   LYS  18          1HB       LYS  18  -4.268  13.337  -0.186
  149   2HB   LYS  18          2HB       LYS  18  -3.682  12.373   1.155
  150   1HG   LYS  18          1HG       LYS  18  -5.637  12.860   2.493
  151   2HG   LYS  18          2HG       LYS  18  -6.147  14.144   1.415
  152   1HD   LYS  18          1HD       LYS  18  -6.472  12.437  -0.416
  153   2HD   LYS  18          2HD       LYS  18  -6.039  11.171   0.717
  154   1HE   LYS  18          1HE       LYS  18  -8.303  13.122   1.305
  155   2HE   LYS  18          2HE       LYS  18  -8.572  11.664   0.371
  156   1HZ   LYS  18          1HZ       LYS  18  -7.701  10.395   2.221
  157   2HZ   LYS  18          2HZ       LYS  18  -7.463  11.756   3.092
  158   3HZ   LYS  18          3HZ       LYS  18  -8.979  11.296   2.692
  159    H    ASN  19           H        ASN  19  -1.286  14.149   2.726
  160    HA   ASN  19           HA       ASN  19   0.244  14.707   0.314
  161   1HB   ASN  19          1HB       ASN  19   0.789  15.742   3.146
  162   2HB   ASN  19          2HB       ASN  19   1.951  15.855   1.838
  163   1HD2  ASN  19          2HD2      ASN  19  -1.196  16.857   3.008
  164   2HD2  ASN  19          1HD2      ASN  19  -1.390  18.264   2.016
  165    H    LEU  20           H        LEU  20  -0.701  12.282   2.069
  166    HA   LEU  20           HA       LEU  20   1.971  11.119   2.357
  167   1HB   LEU  20          1HB       LEU  20  -0.293  10.969   4.348
  168   2HB   LEU  20          2HB       LEU  20   1.093   9.897   4.366
  169    HG   LEU  20           HG       LEU  20   1.346  12.907   4.548
  170   1HD1  LEU  20          1HD1      LEU  20  -0.030  12.129   6.411
  171   2HD1  LEU  20          2HD1      LEU  20   1.201  10.912   6.826
  172   3HD1  LEU  20          3HD1      LEU  20   1.579  12.645   6.970
  173   1HD2  LEU  20          1HD2      LEU  20   3.252  10.615   5.058
  174   2HD2  LEU  20          2HD2      LEU  20   3.394  11.923   3.859
  175   3HD2  LEU  20          3HD2      LEU  20   3.554  12.285   5.594
  176    H    CYS  21           H        CYS  21   1.807   8.632   2.425
  177    HA   CYS  21           HA       CYS  21  -0.393   7.830   0.662
  178   1HB   CYS  21          1HB       CYS  21   2.518   7.029   0.570
  179   2HB   CYS  21          2HB       CYS  21   1.255   6.133  -0.251
  180    H    TYR  22           H        TYR  22  -1.597   6.105   1.435
  181    HA   TYR  22           HA       TYR  22  -0.553   4.786   3.844
  182   1HB   TYR  22          1HB       TYR  22  -2.836   4.774   4.511
  183   2HB   TYR  22          2HB       TYR  22  -2.837   6.206   3.501
  184    HD1  TYR  22           HD1      TYR  22  -3.337   2.496   3.209
  185    HD2  TYR  22           HD2      TYR  22  -4.456   6.393   1.842
  186    HE1  TYR  22           HE1      TYR  22  -5.146   1.471   1.747
  187    HE2  TYR  22           HE2      TYR  22  -6.262   5.354   0.384
  188    HH   TYR  22           HH       TYR  22  -7.262   3.544  -0.221
  189    H    LYS  23           H        LYS  23  -0.558   2.519   4.018
  190    HA   LYS  23           HA       LYS  23  -1.433   1.060   1.642
  191   1HB   LYS  23          1HB       LYS  23   1.011   1.556   1.448
  192   2HB   LYS  23          2HB       LYS  23   1.280   0.677   2.940
  193   1HG   LYS  23          1HG       LYS  23   0.180  -1.352   1.878
  194   2HG   LYS  23          2HG       LYS  23   0.078  -0.461   0.373
  195   1HD   LYS  23          1HD       LYS  23   2.103  -1.551   0.032
  196   2HD   LYS  23          2HD       LYS  23   2.692  -0.078   0.777
  197   1HE   LYS  23          1HE       LYS  23   3.797  -1.712   2.051
  198   2HE   LYS  23          2HE       LYS  23   2.394  -1.388   3.051
  199   1HZ   LYS  23          1HZ       LYS  23   1.312  -3.268   1.891
  200   2HZ   LYS  23          2HZ       LYS  23   2.737  -3.620   1.177
  201   3HZ   LYS  23          3HZ       LYS  23   2.596  -3.703   2.802
  202    H    MET  24           H        MET  24  -2.657  -0.683   2.163
  203    HA   MET  24           HA       MET  24  -2.644  -1.410   4.982
  204   1HB   MET  24          1HB       MET  24  -4.787  -0.578   3.798
  205   2HB   MET  24          2HB       MET  24  -4.739  -2.040   2.833
  206   1HG   MET  24          1HG       MET  24  -4.767  -3.391   4.993
  207   2HG   MET  24          2HG       MET  24  -4.987  -1.893   5.875
  208   1HE   MET  24          1HE       MET  24  -6.508  -4.638   3.757
  209   2HE   MET  24          2HE       MET  24  -6.915  -4.655   5.489
  210   3HE   MET  24          3HE       MET  24  -8.198  -4.435   4.275
  211    H    PHE  25           H        PHE  25  -1.943  -3.420   5.612
  212    HA   PHE  25           HA       PHE  25  -1.951  -5.545   3.624
  213   1HB   PHE  25          1HB       PHE  25   0.456  -6.040   4.340
  214   2HB   PHE  25          2HB       PHE  25   0.297  -4.522   3.477
  215    HD1  PHE  25           HD1      PHE  25   0.158  -2.376   4.853
  216    HD2  PHE  25           HD2      PHE  25   1.370  -6.095   6.500
  217    HE1  PHE  25           HE1      PHE  25   1.246  -1.173   6.768
  218    HE2  PHE  25           HE2      PHE  25   2.458  -4.892   8.415
  219    HZ   PHE  25           HZ       PHE  25   2.383  -2.446   8.527
  220    H    MET  26           H        MET  26  -1.210  -7.697   4.753
  221    HA   MET  26           HA       MET  26  -2.685  -7.773   7.234
  222   1HB   MET  26          1HB       MET  26  -1.809  -9.737   5.108
  223   2HB   MET  26          2HB       MET  26  -2.059 -10.380   6.719
  224   1HG   MET  26          1HG       MET  26  -4.255 -10.549   6.091
  225   2HG   MET  26          2HG       MET  26  -4.328  -8.832   6.434
  226   1HE   MET  26          1HE       MET  26  -6.385 -10.064   4.532
  227   2HE   MET  26          2HE       MET  26  -6.257  -8.310   4.805
  228   3HE   MET  26          3HE       MET  26  -6.357  -8.947   3.146
  229    H    VAL  27           H        VAL  27  -1.809  -8.358   9.237
  230    HA   VAL  27           HA       VAL  27   0.964  -7.968   9.556
  231    HB   VAL  27           HB       VAL  27  -1.205  -8.996  11.392
  232   1HG1  VAL  27          1HG1      VAL  27   1.725  -8.537  11.851
  233   2HG1  VAL  27          2HG1      VAL  27   0.574  -8.154  13.153
  234   3HG1  VAL  27          3HG1      VAL  27   0.653  -9.805  12.492
  235   1HG2  VAL  27          1HG2      VAL  27  -1.419  -6.651  10.529
  236   2HG2  VAL  27          2HG2      VAL  27  -1.250  -6.766  12.297
  237   3HG2  VAL  27          3HG2      VAL  27   0.141  -6.277  11.300
  238    H    ALA  28           H        ALA  28   1.652  -9.597   7.874
  239    HA   ALA  28           HA       ALA  28   2.572 -11.923   9.183
  240   1HB   ALA  28          1HB       ALA  28   0.281 -12.204   7.205
  241   2HB   ALA  28          2HB       ALA  28   1.379 -13.541   7.625
  242   3HB   ALA  28          3HB       ALA  28   0.357 -12.800   8.880
  243    H    ALA  29           H        ALA  29   1.772 -10.238   6.098
  244    HA   ALA  29           HA       ALA  29   4.512 -10.821   5.237
  245   1HB   ALA  29          1HB       ALA  29   1.976 -11.059   3.568
  246   2HB   ALA  29          2HB       ALA  29   3.635 -11.172   2.933
  247   3HB   ALA  29          3HB       ALA  29   3.036 -12.395   4.079
  248    HA   PRO  30           HA       PRO  30   3.947  -6.434   4.981
  249   1HB   PRO  30          1HB       PRO  30   6.571  -5.766   5.352
  250   2HB   PRO  30          2HB       PRO  30   5.435  -5.958   6.673
  251   1HG   PRO  30          1HG       PRO  30   7.591  -7.784   5.803
  252   2HG   PRO  30          2HG       PRO  30   6.742  -7.740   7.335
  253   1HD   PRO  30          1HD       PRO  30   6.331  -9.609   5.199
  254   2HD   PRO  30          2HD       PRO  30   5.404  -9.492   6.682
  255    H    HIS  31           H        HIS  31   5.833  -8.595   3.146
  256    HA   HIS  31           HA       HIS  31   6.355  -6.543   1.167
  257   1HB   HIS  31          1HB       HIS  31   8.111  -8.178   1.843
  258   2HB   HIS  31          2HB       HIS  31   7.125  -9.474   1.194
  259    HD1  HIS  31           HD1      HIS  31   8.591  -6.166  -0.105
  260    HD2  HIS  31           HD2      HIS  31   7.776 -10.077  -1.382
  261    HE1  HIS  31           HE1      HIS  31   9.469  -6.336  -2.495
  262    H    VAL  32           H        VAL  32   3.588  -7.635   1.947
  263    HA   VAL  32           HA       VAL  32   2.804  -8.268  -0.802
  264    HB   VAL  32           HB       VAL  32   1.956  -9.703   1.718
  265   1HG1  VAL  32          1HG1      VAL  32   0.773  -9.782  -1.071
  266   2HG1  VAL  32          2HG1      VAL  32   0.500 -11.050   0.148
  267   3HG1  VAL  32          3HG1      VAL  32  -0.046  -9.384   0.458
  268   1HG2  VAL  32          1HG2      VAL  32   3.306 -10.682  -0.821
  269   2HG2  VAL  32          2HG2      VAL  32   4.064 -10.503   0.780
  270   3HG2  VAL  32          3HG2      VAL  32   2.778 -11.708   0.534
  271    HA   PRO  33           HA       PRO  33   0.390  -4.815   0.610
  272   1HB   PRO  33          1HB       PRO  33   0.174  -3.580  -1.818
  273   2HB   PRO  33          2HB       PRO  33   1.473  -3.252  -0.688
  274   1HG   PRO  33          1HG       PRO  33   1.546  -4.825  -3.190
  275   2HG   PRO  33          2HG       PRO  33   2.880  -4.136  -2.287
  276   1HD   PRO  33          1HD       PRO  33   2.079  -6.890  -2.332
  277   2HD   PRO  33          2HD       PRO  33   3.338  -6.181  -1.341
  278    H    VAL  34           H        VAL  34  -1.806  -4.301   0.612
  279    HA   VAL  34           HA       VAL  34  -3.316  -6.221  -1.022
  280    HB   VAL  34           HB       VAL  34  -4.074  -4.939   1.610
  281   1HG1  VAL  34          1HG1      VAL  34  -6.009  -5.516   0.235
  282   2HG1  VAL  34          2HG1      VAL  34  -5.380  -7.166   0.010
  283   3HG1  VAL  34          3HG1      VAL  34  -5.883  -6.618   1.627
  284   1HG2  VAL  34          1HG2      VAL  34  -2.128  -6.557   1.716
  285   2HG2  VAL  34          2HG2      VAL  34  -3.546  -6.994   2.700
  286   3HG2  VAL  34          3HG2      VAL  34  -3.249  -7.819   1.151
  287    H    LYS  35           H        LYS  35  -3.499  -2.934   0.522
  288    HA   LYS  35           HA       LYS  35  -4.867  -2.050  -1.916
  289   1HB   LYS  35          1HB       LYS  35  -5.649  -1.337   0.926
  290   2HB   LYS  35          2HB       LYS  35  -6.337  -0.635  -0.524
  291   1HG   LYS  35          1HG       LYS  35  -7.680  -2.440  -0.892
  292   2HG   LYS  35          2HG       LYS  35  -6.367  -3.573  -0.643
  293   1HD   LYS  35          1HD       LYS  35  -6.645  -3.479   1.784
  294   2HD   LYS  35          2HD       LYS  35  -7.783  -2.152   1.657
  295   1HE   LYS  35          1HE       LYS  35  -8.356  -4.793   0.268
  296   2HE   LYS  35          2HE       LYS  35  -8.702  -4.601   1.975
  297   1HZ   LYS  35          1HZ       LYS  35 -10.046  -2.676   1.409
  298   2HZ   LYS  35          2HZ       LYS  35  -9.749  -2.900  -0.181
  299   3HZ   LYS  35          3HZ       LYS  35 -10.593  -4.019   0.658
  300    H    ARG  36           H        ARG  36  -4.579   0.266  -2.382
  301    HA   ARG  36           HA       ARG  36  -2.506   1.528  -0.844
  302   1HB   ARG  36          1HB       ARG  36  -2.230   1.179  -3.870
  303   2HB   ARG  36          2HB       ARG  36  -1.085   1.980  -2.813
  304   1HG   ARG  36          1HG       ARG  36  -0.068  -0.096  -2.896
  305   2HG   ARG  36          2HG       ARG  36  -1.136  -0.391  -1.538
  306   1HD   ARG  36          1HD       ARG  36  -2.452  -1.860  -2.723
  307   2HD   ARG  36          2HD       ARG  36  -2.413  -0.883  -4.177
  308    HE   ARG  36           HE       ARG  36  -0.727  -3.137  -3.621
  309   1HH1  ARG  36          1HH1      ARG  36  -0.581   0.078  -5.043
  310   2HH1  ARG  36          2HH1      ARG  36   0.739  -0.309  -6.097
  311   1HH2  ARG  36          1HH2      ARG  36   1.014  -3.648  -5.011
  312   2HH2  ARG  36          2HH2      ARG  36   1.652  -2.442  -6.078
  313    H    GLY  37           H        GLY  37  -3.063   3.678  -0.590
  314   1HA   GLY  37          1HA       GLY  37  -4.366   5.105  -2.762
  315   2HA   GLY  37          2HA       GLY  37  -5.339   4.861  -1.325
  316    H    CYS  38           H        CYS  38  -5.131   7.388  -1.547
  317    HA   CYS  38           HA       CYS  38  -2.638   8.280  -0.326
  318   1HB   CYS  38          1HB       CYS  38  -4.813   9.697  -1.851
  319   2HB   CYS  38          2HB       CYS  38  -3.680  10.584  -0.851
  320    H    ILE  39           H        ILE  39  -2.952  10.036   1.435
  321    HA   ILE  39           HA       ILE  39  -5.448  10.084   2.797
  322    HB   ILE  39           HB       ILE  39  -4.381   7.806   3.341
  323   1HG1  ILE  39          1HG1      ILE  39  -5.010   9.364   5.823
  324   2HG1  ILE  39          2HG1      ILE  39  -6.233   9.247   4.573
  325   1HG2  ILE  39          1HG2      ILE  39  -2.102   8.656   3.729
  326   2HG2  ILE  39          2HG2      ILE  39  -2.693   9.564   5.142
  327   3HG2  ILE  39          3HG2      ILE  39  -2.752   7.785   5.139
  328   1HD1  ILE  39          1HD1      ILE  39  -4.786   6.846   5.783
  329   2HD1  ILE  39          2HD1      ILE  39  -6.399   7.412   6.278
  330   3HD1  ILE  39          3HD1      ILE  39  -6.141   6.793   4.630
  331    H    ASP  40           H        ASP  40  -5.276  11.470   4.809
  332    HA   ASP  40           HA       ASP  40  -3.145  13.391   4.339
  333   1HB   ASP  40          1HB       ASP  40  -5.352  14.372   4.116
  334   2HB   ASP  40          2HB       ASP  40  -5.911  13.614   5.594
  335    H    VAL  41           H        VAL  41  -5.159  11.816   6.934
  336    HA   VAL  41           HA       VAL  41  -2.942  12.282   8.802
  337    HB   VAL  41           HB       VAL  41  -4.535  12.249  10.557
  338   1HG1  VAL  41          1HG1      VAL  41  -4.342  14.345   9.186
  339   2HG1  VAL  41          2HG1      VAL  41  -5.811  13.846   8.314
  340   3HG1  VAL  41          3HG1      VAL  41  -5.883  14.177  10.062
  341   1HG2  VAL  41          1HG2      VAL  41  -6.505  11.296   8.463
  342   2HG2  VAL  41          2HG2      VAL  41  -6.005  10.481   9.965
  343   3HG2  VAL  41          3HG2      VAL  41  -7.009  11.949  10.041
  344    H    CYS  42           H        CYS  42  -1.818  10.544   9.544
  345    HA   CYS  42           HA       CYS  42  -2.384   8.011   8.443
  346   1HB   CYS  42          1HB       CYS  42  -0.120   9.005   9.092
  347   2HB   CYS  42          2HB       CYS  42  -0.512   8.564  10.742
  348    HA   PRO  43           HA       PRO  43  -5.218   6.959  11.649
  349   1HB   PRO  43          1HB       PRO  43  -6.061   4.580  10.602
  350   2HB   PRO  43          2HB       PRO  43  -6.758   6.124  10.154
  351   1HG   PRO  43          1HG       PRO  43  -4.902   4.413   8.616
  352   2HG   PRO  43          2HG       PRO  43  -5.927   5.714   8.042
  353   1HD   PRO  43          1HD       PRO  43  -3.095   5.827   8.483
  354   2HD   PRO  43          2HD       PRO  43  -4.138   7.157   8.021
  355    H    LYS  44           H        LYS  44  -5.763   4.835  12.977
  356    HA   LYS  44           HA       LYS  44  -3.168   4.124  14.036
  357   1HB   LYS  44          1HB       LYS  44  -5.258   4.831  15.381
  358   2HB   LYS  44          2HB       LYS  44  -5.850   3.210  15.077
  359   1HG   LYS  44          1HG       LYS  44  -4.067   2.191  16.281
  360   2HG   LYS  44          2HG       LYS  44  -3.046   3.610  16.165
  361   1HD   LYS  44          1HD       LYS  44  -3.867   3.533  18.435
  362   2HD   LYS  44          2HD       LYS  44  -4.709   4.849  17.641
  363   1HE   LYS  44          1HE       LYS  44  -6.088   2.233  17.369
  364   2HE   LYS  44          2HE       LYS  44  -5.930   2.768  19.030
  365   1HZ   LYS  44          1HZ       LYS  44  -7.057   4.370  16.838
  366   2HZ   LYS  44          2HZ       LYS  44  -7.915   3.626  18.013
  367   3HZ   LYS  44          3HZ       LYS  44  -6.916   4.862  18.389
  368    H    SER  45           H        SER  45  -2.803   1.747  14.656
  369    HA   SER  45           HA       SER  45  -3.645   0.155  12.365
  370   1HB   SER  45          1HB       SER  45  -1.097   0.290  13.968
  371   2HB   SER  45          2HB       SER  45  -1.538  -1.250  13.257
  372    HG   SER  45           HG       SER  45  -1.162   1.263  11.867
  373    H    SER  46           H        SER  46  -3.864  -2.268  12.838
  374    HA   SER  46           HA       SER  46  -4.855  -2.607  15.562
  375   1HB   SER  46          1HB       SER  46  -6.582  -4.109  14.679
  376   2HB   SER  46          2HB       SER  46  -6.692  -2.548  13.889
  377    HG   SER  46           HG       SER  46  -5.791  -3.386  12.008
  378    H    LEU  47           H        LEU  47  -5.219  -5.315  15.720
  379    HA   LEU  47           HA       LEU  47  -2.497  -6.267  15.529
  380   1HB   LEU  47          1HB       LEU  47  -4.957  -7.562  16.712
  381   2HB   LEU  47          2HB       LEU  47  -3.305  -8.122  16.882
  382    HG   LEU  47           HG       LEU  47  -4.366  -5.484  17.933
  383   1HD1  LEU  47          1HD1      LEU  47  -5.353  -7.378  19.115
  384   2HD1  LEU  47          2HD1      LEU  47  -3.733  -8.053  19.413
  385   3HD1  LEU  47          3HD1      LEU  47  -4.202  -6.504  20.153
  386   1HD2  LEU  47          1HD2      LEU  47  -1.656  -6.808  18.144
  387   2HD2  LEU  47          2HD2      LEU  47  -2.057  -5.207  17.476
  388   3HD2  LEU  47          3HD2      LEU  47  -2.196  -5.501  19.226
  389    H    LEU  48           H        LEU  48  -5.516  -6.456  13.777
  390    HA   LEU  48           HA       LEU  48  -4.717  -8.906  12.442
  391   1HB   LEU  48          1HB       LEU  48  -7.107  -8.126  13.226
  392   2HB   LEU  48          2HB       LEU  48  -7.108  -7.277  11.693
  393    HG   LEU  48           HG       LEU  48  -6.747 -10.262  12.073
  394   1HD1  LEU  48          1HD1      LEU  48  -9.028  -9.513  12.529
  395   2HD1  LEU  48          2HD1      LEU  48  -9.082  -8.686  10.954
  396   3HD1  LEU  48          3HD1      LEU  48  -8.947 -10.459  11.024
  397   1HD2  LEU  48          1HD2      LEU  48  -6.740  -8.560   9.573
  398   2HD2  LEU  48          2HD2      LEU  48  -5.466  -9.650  10.169
  399   3HD2  LEU  48          3HD2      LEU  48  -7.000 -10.321   9.566
  400    H    VAL  49           H        VAL  49  -5.764  -5.585  11.382
  401    HA   VAL  49           HA       VAL  49  -4.011  -5.938   9.065
  402    HB   VAL  49           HB       VAL  49  -6.285  -4.019   9.607
  403   1HG1  VAL  49          1HG1      VAL  49  -4.574  -4.417   7.131
  404   2HG1  VAL  49          2HG1      VAL  49  -6.081  -3.472   7.180
  405   3HG1  VAL  49          3HG1      VAL  49  -4.677  -2.959   8.146
  406   1HG2  VAL  49          1HG2      VAL  49  -6.101  -6.508   7.879
  407   2HG2  VAL  49          2HG2      VAL  49  -7.128  -6.258   9.311
  408   3HG2  VAL  49          3HG2      VAL  49  -7.441  -5.337   7.820
  409    H    LYS  50           H        LYS  50  -2.704  -4.039   8.370
  410    HA   LYS  50           HA       LYS  50  -2.086  -2.223  10.572
  411   1HB   LYS  50          1HB       LYS  50  -0.548  -4.312  10.476
  412   2HB   LYS  50          2HB       LYS  50   0.134  -3.572   9.041
  413   1HG   LYS  50          1HG       LYS  50   1.457  -2.344  10.418
  414   2HG   LYS  50          2HG       LYS  50   0.024  -1.444  10.874
  415   1HD   LYS  50          1HD       LYS  50  -0.429  -3.121  12.694
  416   2HD   LYS  50          2HD       LYS  50   1.034  -3.977  12.252
  417   1HE   LYS  50          1HE       LYS  50   1.066  -1.024  13.007
  418   2HE   LYS  50          2HE       LYS  50   1.204  -2.288  14.212
  419   1HZ   LYS  50          1HZ       LYS  50   3.099  -3.143  12.926
  420   2HZ   LYS  50          2HZ       LYS  50   3.009  -1.845  11.940
  421   3HZ   LYS  50          3HZ       LYS  50   3.356  -1.645  13.523
  422    H    TYR  51           H        TYR  51  -1.703  -0.135   9.910
  423    HA   TYR  51           HA       TYR  51  -1.617   0.257   6.993
  424   1HB   TYR  51          1HB       TYR  51  -2.789   1.912   9.316
  425   2HB   TYR  51          2HB       TYR  51  -2.813   2.436   7.644
  426    HD1  TYR  51           HD1      TYR  51  -4.141  -0.097  10.010
  427    HD2  TYR  51           HD2      TYR  51  -4.478   1.646   6.118
  428    HE1  TYR  51           HE1      TYR  51  -6.364  -1.281   9.665
  429    HE2  TYR  51           HE2      TYR  51  -6.700   0.456   5.785
  430    HH   TYR  51           HH       TYR  51  -8.273  -0.712   6.735
  431    H    VAL  52           H        VAL  52   0.452   0.785   6.447
  432    HA   VAL  52           HA       VAL  52   1.927   2.492   8.313
  433    HB   VAL  52           HB       VAL  52   2.692   0.531   6.171
  434   1HG1  VAL  52          1HG1      VAL  52   4.419   2.749   7.306
  435   2HG1  VAL  52          2HG1      VAL  52   5.079   1.289   6.531
  436   3HG1  VAL  52          3HG1      VAL  52   4.054   2.406   5.598
  437   1HG2  VAL  52          1HG2      VAL  52   2.350  -0.131   8.595
  438   2HG2  VAL  52          2HG2      VAL  52   3.939  -0.533   7.900
  439   3HG2  VAL  52          3HG2      VAL  52   3.769   0.870   8.983
  440    H    CYS  53           H        CYS  53   2.574   4.550   7.749
  441    HA   CYS  53           HA       CYS  53   1.660   5.428   5.109
  442   1HB   CYS  53          1HB       CYS  53   2.076   7.176   7.535
  443   2HB   CYS  53          2HB       CYS  53   1.323   7.614   6.015
  444    H    CYS  54           H        CYS  54   3.089   6.968   3.972
  445    HA   CYS  54           HA       CYS  54   5.729   7.312   5.082
  446   1HB   CYS  54          1HB       CYS  54   6.640   6.495   2.761
  447   2HB   CYS  54          2HB       CYS  54   6.398   5.385   4.094
  448    H    ASN  55           H        ASN  55   6.803   9.131   4.085
  449    HA   ASN  55           HA       ASN  55   4.984  10.677   2.431
  450   1HB   ASN  55          1HB       ASN  55   6.406  12.635   3.138
  451   2HB   ASN  55          2HB       ASN  55   5.697  11.801   4.506
  452   1HD2  ASN  55          2HD2      ASN  55   7.897  13.433   4.749
  453   2HD2  ASN  55          1HD2      ASN  55   9.297  12.510   5.181
  454    H    THR  56           H        THR  56   6.220   8.689   0.985
  455    HA   THR  56           HA       THR  56   8.270  10.162  -0.512
  456    HB   THR  56           HB       THR  56   9.231   7.652  -0.745
  457    HG1  THR  56           HG1      THR  56   8.068   7.850   1.935
  458   1HG2  THR  56          1HG2      THR  56   9.592   9.390   1.753
  459   2HG2  THR  56          2HG2      THR  56  10.652   8.034   1.301
  460   3HG2  THR  56          3HG2      THR  56  10.570   9.481   0.268
  461    H    ASP  57           H        ASP  57   8.344   9.734  -2.758
  462    HA   ASP  57           HA       ASP  57   5.835   9.264  -3.835
  463   1HB   ASP  57          1HB       ASP  57   8.619   9.253  -5.085
  464   2HB   ASP  57          2HB       ASP  57   7.151   9.153  -6.037
  465    H    LYS  58           H        LYS  58   4.982   7.388  -4.932
  466    HA   LYS  58           HA       LYS  58   4.620   5.187  -5.022
  467   1HB   LYS  58          1HB       LYS  58   7.370   5.377  -6.286
  468   2HB   LYS  58          2HB       LYS  58   6.298   4.000  -6.441
  469   1HG   LYS  58          1HG       LYS  58   4.550   5.457  -7.462
  470   2HG   LYS  58          2HG       LYS  58   5.592   6.854  -7.275
  471   1HD   LYS  58          1HD       LYS  58   7.285   5.819  -8.776
  472   2HD   LYS  58          2HD       LYS  58   6.296   4.381  -8.927
  473   1HE   LYS  58          1HE       LYS  58   4.461   5.753  -9.944
  474   2HE   LYS  58          2HE       LYS  58   5.455   7.189  -9.798
  475   1HZ   LYS  58          1HZ       LYS  58   7.078   6.137 -11.227
  476   2HZ   LYS  58          2HZ       LYS  58   6.150   4.800 -11.363
  477   3HZ   LYS  58          3HZ       LYS  58   5.628   6.222 -11.974
  478    H    CYS  59           H        CYS  59   5.015   5.613  -2.447
  479    HA   CYS  59           HA       CYS  59   7.180   3.852  -1.606
  480   1HB   CYS  59          1HB       CYS  59   6.994   4.793   0.550
  481   2HB   CYS  59          2HB       CYS  59   6.978   6.120  -0.594
  482    H    ASN  60           H        ASN  60   3.617   4.426  -1.437
  483    HA   ASN  60           HA       ASN  60   3.195   2.064   0.073
  484   1HB   ASN  60          1HB       ASN  60   0.786   2.589  -0.257
  485   2HB   ASN  60          2HB       ASN  60   1.661   4.030   0.221
  486   1HD2  ASN  60          2HD2      ASN  60  -0.714   4.349  -0.937
  487   2HD2  ASN  60          1HD2      ASN  60  -0.586   4.961  -2.552
  488   1H    HOH  61          1H        HOH  61   0.659  -9.246   3.733
  489   2H    HOH  61          2H        HOH  61  -0.148  -8.784   2.539
  490   1H    HOH  62          1H        HOH  62   8.057 -11.507   6.087
  491   2H    HOH  62          2H        HOH  62   6.925 -12.511   6.087
  Start of MODEL    7
    1    H    LEU   1           H        LEU   1   3.224  14.760  -6.116
    2    HA   LEU   1           HA       LEU   1   3.507  12.940  -3.831
    3   1HB   LEU   1          1HB       LEU   1   2.169  15.429  -3.871
    4   2HB   LEU   1          2HB       LEU   1   0.923  14.197  -3.886
    5    HG   LEU   1           HG       LEU   1   1.444  14.904  -1.615
    6   1HD1  LEU   1          1HD1      LEU   1   2.117  12.074  -2.392
    7   2HD1  LEU   1          2HD1      LEU   1   2.122  12.593  -0.689
    8   3HD1  LEU   1          3HD1      LEU   1   0.632  12.723  -1.655
    9   1HD2  LEU   1          1HD2      LEU   1   3.850  15.496  -2.137
   10   2HD2  LEU   1          2HD2      LEU   1   3.560  14.682  -0.580
   11   3HD2  LEU   1          3HD2      LEU   1   4.223  13.765  -1.954
   12    H    LYS   2           H        LYS   2   3.799  11.503  -5.852
   13    HA   LYS   2           HA       LYS   2   1.119  10.722  -6.769
   14   1HB   LYS   2          1HB       LYS   2   2.424  11.746  -8.582
   15   2HB   LYS   2          2HB       LYS   2   3.730  10.609  -8.310
   16   1HG   LYS   2          1HG       LYS   2   2.258   8.710  -8.881
   17   2HG   LYS   2          2HG       LYS   2   0.877   9.780  -9.021
   18   1HD   LYS   2          1HD       LYS   2   1.515   9.583 -11.265
   19   2HD   LYS   2          2HD       LYS   2   2.353  11.052 -10.808
   20   1HE   LYS   2          1HE       LYS   2   4.059   9.822 -11.873
   21   2HE   LYS   2          2HE       LYS   2   4.354   9.468 -10.182
   22   1HZ   LYS   2          1HZ       LYS   2   2.778   7.767 -11.988
   23   2HZ   LYS   2          2HZ       LYS   2   4.330   7.492 -11.559
   24   3HZ   LYS   2          3HZ       LYS   2   3.148   7.429 -10.433
   25    H    CYS   3           H        CYS   3   0.502   8.662  -6.307
   26    HA   CYS   3           HA       CYS   3   2.627   6.797  -5.575
   27   1HB   CYS   3          1HB       CYS   3   0.340   7.700  -3.900
   28   2HB   CYS   3          2HB       CYS   3   0.726   5.991  -3.868
   29    H    LYS   4           H        LYS   4   1.348   4.477  -5.292
   30    HA   LYS   4           HA       LYS   4  -0.087   4.198  -7.810
   31   1HB   LYS   4          1HB       LYS   4   1.404   2.299  -6.004
   32   2HB   LYS   4          2HB       LYS   4   0.294   1.700  -7.220
   33   1HG   LYS   4          1HG       LYS   4   2.379   3.752  -8.007
   34   2HG   LYS   4          2HG       LYS   4   2.859   2.077  -7.814
   35   1HD   LYS   4          1HD       LYS   4   1.138   1.367  -9.459
   36   2HD   LYS   4          2HD       LYS   4   0.577   3.019  -9.615
   37   1HE   LYS   4          1HE       LYS   4   2.842   3.701 -10.456
   38   2HE   LYS   4          2HE       LYS   4   3.387   2.042 -10.317
   39   1HZ   LYS   4          1HZ       LYS   4   1.163   2.952 -12.010
   40   2HZ   LYS   4          2HZ       LYS   4   2.657   2.552 -12.536
   41   3HZ   LYS   4          3HZ       LYS   4   1.687   1.409 -11.888
   42    H    LYS   5           H        LYS   5  -2.075   2.902  -7.915
   43    HA   LYS   5           HA       LYS   5  -3.726   3.479  -5.599
   44   1HB   LYS   5          1HB       LYS   5  -4.429   2.534  -8.394
   45   2HB   LYS   5          2HB       LYS   5  -5.590   2.900  -7.135
   46   1HG   LYS   5          1HG       LYS   5  -4.045   5.192  -7.098
   47   2HG   LYS   5          2HG       LYS   5  -3.945   4.754  -8.792
   48   1HD   LYS   5          1HD       LYS   5  -6.656   4.675  -7.466
   49   2HD   LYS   5          2HD       LYS   5  -5.971   6.243  -7.844
   50   1HE   LYS   5          1HE       LYS   5  -7.211   5.685  -9.794
   51   2HE   LYS   5          2HE       LYS   5  -5.556   5.317 -10.235
   52   1HZ   LYS   5          1HZ       LYS   5  -7.375   3.298  -9.131
   53   2HZ   LYS   5          2HZ       LYS   5  -7.219   3.567 -10.734
   54   3HZ   LYS   5          3HZ       LYS   5  -5.938   3.047  -9.865
   55    H    LEU   6           H        LEU   6  -5.670   1.410  -5.957
   56    HA   LEU   6           HA       LEU   6  -4.622  -0.543  -4.312
   57   1HB   LEU   6          1HB       LEU   6  -7.007  -0.605  -6.165
   58   2HB   LEU   6          2HB       LEU   6  -6.666  -1.825  -4.955
   59    HG   LEU   6           HG       LEU   6  -6.616   0.764  -3.701
   60   1HD1  LEU   6          1HD1      LEU   6  -8.004   1.534  -5.549
   61   2HD1  LEU   6          2HD1      LEU   6  -9.133   0.183  -5.287
   62   3HD1  LEU   6          3HD1      LEU   6  -8.949   1.442  -4.043
   63   1HD2  LEU   6          1HD2      LEU   6  -7.000  -1.405  -2.593
   64   2HD2  LEU   6          2HD2      LEU   6  -8.289  -0.225  -2.252
   65   3HD2  LEU   6          3HD2      LEU   6  -8.569  -1.537  -3.423
   66    H    VAL   7           H        VAL   7  -4.867  -0.378  -7.897
   67    HA   VAL   7           HA       VAL   7  -3.489  -2.954  -8.033
   68    HB   VAL   7           HB       VAL   7  -4.860  -1.301 -10.163
   69   1HG1  VAL   7          1HG1      VAL   7  -2.996  -2.762 -10.978
   70   2HG1  VAL   7          2HG1      VAL   7  -3.872  -4.166 -10.321
   71   3HG1  VAL   7          3HG1      VAL   7  -4.596  -3.196 -11.626
   72   1HG2  VAL   7          1HG2      VAL   7  -5.777  -3.751  -8.624
   73   2HG2  VAL   7          2HG2      VAL   7  -6.500  -2.124  -8.600
   74   3HG2  VAL   7          3HG2      VAL   7  -6.584  -3.114 -10.077
   75    HA   PRO   8           HA       PRO   8   0.172  -0.790  -8.907
   76   1HB   PRO   8          1HB       PRO   8   1.768  -2.921  -9.526
   77   2HB   PRO   8          2HB       PRO   8   1.450  -2.408  -7.881
   78   1HG   PRO   8          1HG       PRO   8   0.357  -4.734  -9.340
   79   2HG   PRO   8          2HG       PRO   8   0.397  -4.442  -7.613
   80   1HD   PRO   8          1HD       PRO   8  -1.872  -4.173  -9.347
   81   2HD   PRO   8          2HD       PRO   8  -1.802  -3.769  -7.643
   82    H    LEU   9           H        LEU   9  -1.461  -0.130 -10.786
   83    HA   LEU   9           HA       LEU   9   0.203  -0.472 -13.139
   84   1HB   LEU   9          1HB       LEU   9  -2.603  -1.474 -12.871
   85   2HB   LEU   9          2HB       LEU   9  -2.071  -0.818 -14.406
   86    HG   LEU   9           HG       LEU   9  -0.441  -2.949 -13.048
   87   1HD1  LEU   9          1HD1      LEU   9  -2.968  -3.387 -14.655
   88   2HD1  LEU   9          2HD1      LEU   9  -1.743  -4.645 -14.359
   89   3HD1  LEU   9          3HD1      LEU   9  -2.620  -3.918 -12.992
   90   1HD2  LEU   9          1HD2      LEU   9   0.523  -1.801 -14.977
   91   2HD2  LEU   9          2HD2      LEU   9   0.188  -3.510 -15.344
   92   3HD2  LEU   9          3HD2      LEU   9  -0.896  -2.238 -15.959
   93    H    PHE  10           H        PHE  10  -2.734   0.983 -11.613
   94    HA   PHE  10           HA       PHE  10  -2.303   3.351 -13.266
   95   1HB   PHE  10          1HB       PHE  10  -4.526   2.133 -11.563
   96   2HB   PHE  10          2HB       PHE  10  -4.590   3.848 -11.920
   97    HD1  PHE  10           HD1      PHE  10  -4.718   0.479 -13.387
   98    HD2  PHE  10           HD2      PHE  10  -5.150   4.637 -14.117
   99    HE1  PHE  10           HE1      PHE  10  -5.796  -0.021 -15.598
  100    HE2  PHE  10           HE2      PHE  10  -6.227   4.137 -16.328
  101    HZ   PHE  10           HZ       PHE  10  -6.537   1.815 -17.042
  102    H    SER  11           H        SER  11  -1.741   5.347 -12.408
  103    HA   SER  11           HA       SER  11  -1.331   5.345  -9.518
  104   1HB   SER  11          1HB       SER  11   0.512   7.113 -10.159
  105   2HB   SER  11          2HB       SER  11   0.863   5.403 -10.316
  106    HG   SER  11           HG       SER  11   0.619   5.507 -12.543
  107    H    LYS  12           H        LYS  12  -1.685   7.424  -8.426
  108    HA   LYS  12           HA       LYS  12  -2.940   9.485 -10.052
  109   1HB   LYS  12          1HB       LYS  12  -4.353   7.723  -8.141
  110   2HB   LYS  12          2HB       LYS  12  -4.656   9.435  -7.928
  111   1HG   LYS  12          1HG       LYS  12  -4.791   8.145 -10.680
  112   2HG   LYS  12          2HG       LYS  12  -6.170   8.119  -9.599
  113   1HD   LYS  12          1HD       LYS  12  -5.966  10.663  -9.417
  114   2HD   LYS  12          2HD       LYS  12  -4.745  10.596 -10.672
  115   1HE   LYS  12          1HE       LYS  12  -7.583   9.508 -10.989
  116   2HE   LYS  12          2HE       LYS  12  -7.074  11.093 -11.536
  117   1HZ   LYS  12          1HZ       LYS  12  -5.342   9.899 -12.842
  118   2HZ   LYS  12          2HZ       LYS  12  -6.096   8.496 -12.481
  119   3HZ   LYS  12          3HZ       LYS  12  -6.876   9.646 -13.341
  120    H    THR  13           H        THR  13  -3.034  11.579  -8.932
  121    HA   THR  13           HA       THR  13  -0.901  11.733  -6.921
  122    HB   THR  13           HB       THR  13  -2.125  13.947  -8.640
  123    HG1  THR  13           HG1      THR  13   0.087  12.048  -8.958
  124   1HG2  THR  13          1HG2      THR  13  -0.556  14.450  -6.593
  125   2HG2  THR  13          2HG2      THR  13   0.719  13.692  -7.577
  126   3HG2  THR  13          3HG2      THR  13  -0.112  15.151  -8.168
  127    H    CYS  14           H        CYS  14  -1.314  12.200  -4.852
  128    HA   CYS  14           HA       CYS  14  -3.920  12.307  -3.928
  129   1HB   CYS  14          1HB       CYS  14  -1.523  13.402  -2.458
  130   2HB   CYS  14          2HB       CYS  14  -3.000  12.750  -1.777
  131    HA   PRO  15           HA       PRO  15  -4.679  16.532  -4.886
  132   1HB   PRO  15          1HB       PRO  15  -7.295  16.617  -4.100
  133   2HB   PRO  15          2HB       PRO  15  -6.788  16.070  -5.685
  134   1HG   PRO  15          1HG       PRO  15  -7.721  14.467  -3.383
  135   2HG   PRO  15          2HG       PRO  15  -7.620  14.008  -5.071
  136   1HD   PRO  15          1HD       PRO  15  -5.822  13.239  -2.973
  137   2HD   PRO  15          2HD       PRO  15  -5.658  12.876  -4.679
  138    H    ALA  16           H        ALA  16  -5.725  18.538  -3.770
  139    HA   ALA  16           HA       ALA  16  -4.204  19.086  -1.575
  140   1HB   ALA  16          1HB       ALA  16  -6.945  20.167  -2.345
  141   2HB   ALA  16          2HB       ALA  16  -5.824  20.941  -1.198
  142   3HB   ALA  16          3HB       ALA  16  -5.369  20.773  -2.911
  143    H    GLY  17           H        GLY  17  -4.265  18.630   0.591
  144   1HA   GLY  17          1HA       GLY  17  -5.648  18.327   2.555
  145   2HA   GLY  17          2HA       GLY  17  -6.710  17.308   1.604
  146    H    LYS  18           H        LYS  18  -4.811  15.750   0.147
  147    HA   LYS  18           HA       LYS  18  -3.650  14.225   2.368
  148   1HB   LYS  18          1HB       LYS  18  -4.568  13.306  -0.373
  149   2HB   LYS  18          2HB       LYS  18  -3.815  12.283   0.833
  150   1HG   LYS  18          1HG       LYS  18  -5.985  11.881   1.472
  151   2HG   LYS  18          2HG       LYS  18  -5.790  13.375   2.366
  152   1HD   LYS  18          1HD       LYS  18  -6.783  14.669   0.512
  153   2HD   LYS  18          2HD       LYS  18  -6.864  13.234  -0.490
  154   1HE   LYS  18          1HE       LYS  18  -9.074  13.582   0.446
  155   2HE   LYS  18          2HE       LYS  18  -8.393  12.174   1.236
  156   1HZ   LYS  18          1HZ       LYS  18  -8.186  14.868   2.378
  157   2HZ   LYS  18          2HZ       LYS  18  -9.422  13.857   2.719
  158   3HZ   LYS  18          3HZ       LYS  18  -7.895  13.445   3.124
  159    H    ASN  19           H        ASN  19  -1.475  14.142   2.551
  160    HA   ASN  19           HA       ASN  19   0.030  14.707   0.123
  161   1HB   ASN  19          1HB       ASN  19   0.588  15.748   2.950
  162   2HB   ASN  19          2HB       ASN  19   1.713  15.910   1.616
  163   1HD2  ASN  19          2HD2      ASN  19   1.328  17.326  -0.040
  164   2HD2  ASN  19          1HD2      ASN  19   0.101  18.549  -0.002
  165    H    LEU  20           H        LEU  20  -0.856  12.326   2.065
  166    HA   LEU  20           HA       LEU  20   1.842  11.190   2.255
  167   1HB   LEU  20          1HB       LEU  20  -0.364  11.055   4.311
  168   2HB   LEU  20          2HB       LEU  20   1.040  10.005   4.316
  169    HG   LEU  20           HG       LEU  20   1.258  13.021   4.411
  170   1HD1  LEU  20          1HD1      LEU  20  -0.072  12.294   6.323
  171   2HD1  LEU  20          2HD1      LEU  20   1.171  11.094   6.749
  172   3HD1  LEU  20          3HD1      LEU  20   1.545  12.832   6.836
  173   1HD2  LEU  20          1HD2      LEU  20   3.196  10.764   4.958
  174   2HD2  LEU  20          2HD2      LEU  20   3.301  12.028   3.710
  175   3HD2  LEU  20          3HD2      LEU  20   3.492  12.455   5.427
  176    H    CYS  21           H        CYS  21   1.769   8.730   2.302
  177    HA   CYS  21           HA       CYS  21  -0.480   7.847   0.642
  178   1HB   CYS  21          1HB       CYS  21   2.420   6.998   0.531
  179   2HB   CYS  21          2HB       CYS  21   1.123   6.187  -0.323
  180    H    TYR  22           H        TYR  22  -1.575   6.008   1.372
  181    HA   TYR  22           HA       TYR  22  -0.501   4.802   3.830
  182   1HB   TYR  22          1HB       TYR  22  -2.776   4.746   4.524
  183   2HB   TYR  22          2HB       TYR  22  -2.822   6.161   3.490
  184    HD1  TYR  22           HD1      TYR  22  -3.222   2.435   3.247
  185    HD2  TYR  22           HD2      TYR  22  -4.478   6.284   1.864
  186    HE1  TYR  22           HE1      TYR  22  -5.023   1.343   1.822
  187    HE2  TYR  22           HE2      TYR  22  -6.274   5.179   0.444
  188    HH   TYR  22           HH       TYR  22  -7.210   3.334  -0.154
  189    H    LYS  23           H        LYS  23  -0.499   2.530   4.061
  190    HA   LYS  23           HA       LYS  23  -1.374   1.003   1.736
  191   1HB   LYS  23          1HB       LYS  23   0.672  -0.027   1.342
  192   2HB   LYS  23          2HB       LYS  23   1.114   1.650   1.588
  193   1HG   LYS  23          1HG       LYS  23   2.628   0.759   3.069
  194   2HG   LYS  23          2HG       LYS  23   1.265   0.787   4.169
  195   1HD   LYS  23          1HD       LYS  23   0.693  -1.581   3.376
  196   2HD   LYS  23          2HD       LYS  23   2.206  -1.584   2.493
  197   1HE   LYS  23          1HE       LYS  23   1.999  -1.077   5.500
  198   2HE   LYS  23          2HE       LYS  23   2.336  -2.648   4.799
  199   1HZ   LYS  23          1HZ       LYS  23   4.262  -1.626   3.707
  200   2HZ   LYS  23          2HZ       LYS  23   3.974  -0.229   4.502
  201   3HZ   LYS  23          3HZ       LYS  23   4.363  -1.577   5.336
  202    H    MET  24           H        MET  24  -2.557  -0.730   2.358
  203    HA   MET  24           HA       MET  24  -2.362  -1.429   5.178
  204   1HB   MET  24          1HB       MET  24  -4.581  -0.629   4.080
  205   2HB   MET  24          2HB       MET  24  -4.583  -2.139   3.191
  206   1HG   MET  24          1HG       MET  24  -4.233  -3.188   5.645
  207   2HG   MET  24          2HG       MET  24  -4.965  -1.678   6.150
  208   1HE   MET  24          1HE       MET  24  -5.673  -5.143   5.544
  209   2HE   MET  24          2HE       MET  24  -6.985  -5.275   4.349
  210   3HE   MET  24          3HE       MET  24  -5.346  -4.816   3.825
  211    H    PHE  25           H        PHE  25  -1.785  -3.498   5.817
  212    HA   PHE  25           HA       PHE  25  -1.748  -5.571   3.773
  213   1HB   PHE  25          1HB       PHE  25   0.574  -5.655   3.779
  214   2HB   PHE  25          2HB       PHE  25   0.512  -4.068   4.519
  215    HD1  PHE  25           HD1      PHE  25   0.445  -3.955   7.079
  216    HD2  PHE  25           HD2      PHE  25   1.485  -7.471   4.943
  217    HE1  PHE  25           HE1      PHE  25   1.573  -4.866   9.128
  218    HE2  PHE  25           HE2      PHE  25   2.614  -8.382   6.991
  219    HZ   PHE  25           HZ       PHE  25   2.644  -7.068   9.059
  220    H    MET  26           H        MET  26  -1.452  -7.776   4.728
  221    HA   MET  26           HA       MET  26  -2.800  -7.835   7.272
  222   1HB   MET  26          1HB       MET  26  -2.282  -9.723   4.975
  223   2HB   MET  26          2HB       MET  26  -2.504 -10.465   6.547
  224   1HG   MET  26          1HG       MET  26  -4.740 -10.337   6.068
  225   2HG   MET  26          2HG       MET  26  -4.591  -8.657   6.543
  226   1HE   MET  26          1HE       MET  26  -6.871  -9.610   4.650
  227   2HE   MET  26          2HE       MET  26  -6.609  -7.907   5.096
  228   3HE   MET  26          3HE       MET  26  -6.836  -8.355   3.388
  229    H    VAL  27           H        VAL  27  -1.881  -8.469   9.207
  230    HA   VAL  27           HA       VAL  27   0.925  -8.573   9.375
  231    HB   VAL  27           HB       VAL  27  -1.272  -9.258  11.335
  232   1HG1  VAL  27          1HG1      VAL  27   1.720  -9.183  11.637
  233   2HG1  VAL  27          2HG1      VAL  27   0.676  -8.720  13.002
  234   3HG1  VAL  27          3HG1      VAL  27   0.540 -10.345  12.289
  235   1HG2  VAL  27          1HG2      VAL  27  -1.268  -6.922  10.532
  236   2HG2  VAL  27          2HG2      VAL  27  -0.846  -7.037  12.257
  237   3HG2  VAL  27          3HG2      VAL  27   0.428  -6.757  11.046
  238    H    ALA  28           H        ALA  28   1.269 -10.277   7.676
  239    HA   ALA  28           HA       ALA  28   1.800 -12.749   8.947
  240   1HB   ALA  28          1HB       ALA  28  -0.510 -12.600   6.975
  241   2HB   ALA  28          2HB       ALA  28   0.326 -14.112   7.402
  242   3HB   ALA  28          3HB       ALA  28  -0.549 -13.195   8.652
  243    H    ALA  29           H        ALA  29   1.276 -10.897   5.898
  244    HA   ALA  29           HA       ALA  29   3.778 -12.092   4.919
  245   1HB   ALA  29          1HB       ALA  29   1.281 -11.296   3.368
  246   2HB   ALA  29          2HB       ALA  29   2.811 -11.834   2.636
  247   3HB   ALA  29          3HB       ALA  29   1.870 -12.952   3.652
  248    HA   PRO  30           HA       PRO  30   4.304  -7.628   5.310
  249   1HB   PRO  30          1HB       PRO  30   6.707  -7.672   6.612
  250   2HB   PRO  30          2HB       PRO  30   5.167  -7.572   7.444
  251   1HG   PRO  30          1HG       PRO  30   6.983  -9.889   7.177
  252   2HG   PRO  30          2HG       PRO  30   5.685  -9.638   8.328
  253   1HD   PRO  30          1HD       PRO  30   5.616 -11.317   6.003
  254   2HD   PRO  30          2HD       PRO  30   4.284 -10.975   7.089
  255    H    HIS  31           H        HIS  31   4.424  -8.661   2.919
  256    HA   HIS  31           HA       HIS  31   6.880  -7.490   1.964
  257   1HB   HIS  31          1HB       HIS  31   7.601  -9.762   2.293
  258   2HB   HIS  31          2HB       HIS  31   6.174 -10.395   1.498
  259    HD1  HIS  31           HD1      HIS  31   8.907  -7.890   0.460
  260    HD2  HIS  31           HD2      HIS  31   6.825 -11.224  -1.006
  261    HE1  HIS  31           HE1      HIS  31   9.814  -8.325  -1.884
  262    H    VAL  32           H        VAL  32   3.813  -9.255   1.213
  263    HA   VAL  32           HA       VAL  32   3.594  -7.649  -1.222
  264    HB   VAL  32           HB       VAL  32   2.030 -10.062  -0.284
  265   1HG1  VAL  32          1HG1      VAL  32   0.739  -8.644  -1.804
  266   2HG1  VAL  32          2HG1      VAL  32   2.081  -8.652  -2.974
  267   3HG1  VAL  32          3HG1      VAL  32   1.212 -10.161  -2.606
  268   1HG2  VAL  32          1HG2      VAL  32   4.350  -9.818  -2.224
  269   2HG2  VAL  32          2HG2      VAL  32   4.307 -10.725  -0.693
  270   3HG2  VAL  32          3HG2      VAL  32   3.316 -11.259  -2.073
  271    HA   PRO  33           HA       PRO  33   0.736  -5.178   0.943
  272   1HB   PRO  33          1HB       PRO  33   0.126  -3.453  -1.088
  273   2HB   PRO  33          2HB       PRO  33   1.526  -3.258  -0.053
  274   1HG   PRO  33          1HG       PRO  33   1.406  -4.207  -2.850
  275   2HG   PRO  33          2HG       PRO  33   2.787  -3.606  -1.953
  276   1HD   PRO  33          1HD       PRO  33   2.198  -6.346  -2.566
  277   2HD   PRO  33          2HD       PRO  33   3.514  -5.754  -1.572
  278    H    VAL  34           H        VAL  34  -1.567  -4.222   0.616
  279    HA   VAL  34           HA       VAL  34  -3.061  -6.285  -0.849
  280    HB   VAL  34           HB       VAL  34  -3.823  -5.007   1.783
  281   1HG1  VAL  34          1HG1      VAL  34  -5.720  -5.690   0.341
  282   2HG1  VAL  34          2HG1      VAL  34  -5.064  -7.344   0.293
  283   3HG1  VAL  34          3HG1      VAL  34  -5.617  -6.650   1.836
  284   1HG2  VAL  34          1HG2      VAL  34  -1.827  -6.565   1.886
  285   2HG2  VAL  34          2HG2      VAL  34  -3.222  -7.031   2.889
  286   3HG2  VAL  34          3HG2      VAL  34  -2.916  -7.866   1.347
  287    H    LYS  35           H        LYS  35  -3.388  -3.033   0.754
  288    HA   LYS  35           HA       LYS  35  -4.769  -2.165  -1.687
  289   1HB   LYS  35          1HB       LYS  35  -5.501  -1.419   1.161
  290   2HB   LYS  35          2HB       LYS  35  -6.257  -0.797  -0.292
  291   1HG   LYS  35          1HG       LYS  35  -7.522  -2.677  -0.579
  292   2HG   LYS  35          2HG       LYS  35  -6.166  -3.744  -0.277
  293   1HD   LYS  35          1HD       LYS  35  -6.442  -3.552   2.135
  294   2HD   LYS  35          2HD       LYS  35  -7.599  -2.248   1.961
  295   1HE   LYS  35          1HE       LYS  35  -8.954  -4.048   0.522
  296   2HE   LYS  35          2HE       LYS  35  -7.973  -5.199   1.408
  297   1HZ   LYS  35          1HZ       LYS  35  -8.738  -4.156   3.452
  298   2HZ   LYS  35          2HZ       LYS  35  -9.691  -3.137   2.604
  299   3HZ   LYS  35          3HZ       LYS  35  -9.986  -4.743   2.578
  300    H    ARG  36           H        ARG  36  -4.557   0.173  -2.135
  301    HA   ARG  36           HA       ARG  36  -2.503   1.498  -0.643
  302   1HB   ARG  36          1HB       ARG  36  -2.185   0.729  -3.580
  303   2HB   ARG  36          2HB       ARG  36  -1.272   2.044  -2.866
  304   1HG   ARG  36          1HG       ARG  36   0.234   0.333  -2.465
  305   2HG   ARG  36          2HG       ARG  36  -0.718   0.183  -1.001
  306   1HD   ARG  36          1HD       ARG  36  -1.309  -1.929  -1.581
  307   2HD   ARG  36          2HD       ARG  36  -2.070  -1.331  -3.042
  308    HE   ARG  36           HE       ARG  36   0.777  -2.225  -2.816
  309   1HH1  ARG  36          1HH1      ARG  36  -1.992  -1.336  -4.798
  310   2HH1  ARG  36          2HH1      ARG  36  -1.275  -1.890  -6.274
  311   1HH2  ARG  36          1HH2      ARG  36   1.724  -2.955  -4.764
  312   2HH2  ARG  36          2HH2      ARG  36   0.853  -2.817  -6.254
  313    H    GLY  37           H        GLY  37  -3.023   3.678  -0.516
  314   1HA   GLY  37          1HA       GLY  37  -4.366   4.993  -2.723
  315   2HA   GLY  37          2HA       GLY  37  -5.344   4.785  -1.284
  316    H    CYS  38           H        CYS  38  -5.246   7.272  -1.454
  317    HA   CYS  38           HA       CYS  38  -2.744   8.272  -0.329
  318   1HB   CYS  38          1HB       CYS  38  -5.005   9.620  -1.797
  319   2HB   CYS  38          2HB       CYS  38  -3.823  10.531  -0.879
  320    H    ILE  39           H        ILE  39  -3.120  10.096   1.380
  321    HA   ILE  39           HA       ILE  39  -5.578  10.057   2.799
  322    HB   ILE  39           HB       ILE  39  -4.431   7.839   3.377
  323   1HG1  ILE  39          1HG1      ILE  39  -5.004   9.435   5.846
  324   2HG1  ILE  39          2HG1      ILE  39  -6.270   9.271   4.645
  325   1HG2  ILE  39          1HG2      ILE  39  -2.162   8.780   3.657
  326   2HG2  ILE  39          2HG2      ILE  39  -2.731   9.674   5.088
  327   3HG2  ILE  39          3HG2      ILE  39  -2.728   7.894   5.093
  328   1HD1  ILE  39          1HD1      ILE  39  -4.736   6.931   5.869
  329   2HD1  ILE  39          2HD1      ILE  39  -6.359   7.463   6.370
  330   3HD1  ILE  39          3HD1      ILE  39  -6.102   6.813   4.733
  331    H    ASP  40           H        ASP  40  -5.357  11.436   4.855
  332    HA   ASP  40           HA       ASP  40  -3.362  13.468   4.258
  333   1HB   ASP  40          1HB       ASP  40  -4.918  14.926   5.708
  334   2HB   ASP  40          2HB       ASP  40  -5.529  14.448   4.137
  335    H    VAL  41           H        VAL  41  -5.219  11.921   6.992
  336    HA   VAL  41           HA       VAL  41  -2.914  12.456   8.728
  337    HB   VAL  41           HB       VAL  41  -5.195  13.442   9.242
  338   1HG1  VAL  41          1HG1      VAL  41  -6.451  11.348   8.606
  339   2HG1  VAL  41          2HG1      VAL  41  -5.858  10.615  10.115
  340   3HG1  VAL  41          3HG1      VAL  41  -6.905  12.053  10.176
  341   1HG2  VAL  41          1HG2      VAL  41  -3.875  11.635  11.296
  342   2HG2  VAL  41          2HG2      VAL  41  -3.428  13.315  10.915
  343   3HG2  VAL  41          3HG2      VAL  41  -5.004  12.961  11.662
  344    H    CYS  42           H        CYS  42  -1.709  10.761   9.435
  345    HA   CYS  42           HA       CYS  42  -2.281   8.190   8.425
  346   1HB   CYS  42          1HB       CYS  42  -0.002   9.185   8.856
  347   2HB   CYS  42          2HB       CYS  42  -0.276   8.918  10.566
  348    HA   PRO  43           HA       PRO  43  -4.908   7.202  11.831
  349   1HB   PRO  43          1HB       PRO  43  -5.874   4.845  10.841
  350   2HB   PRO  43          2HB       PRO  43  -6.577   6.405  10.459
  351   1HG   PRO  43          1HG       PRO  43  -4.879   4.673   8.768
  352   2HG   PRO  43          2HG       PRO  43  -5.923   5.995   8.285
  353   1HD   PRO  43          1HD       PRO  43  -3.063   6.056   8.500
  354   2HD   PRO  43          2HD       PRO  43  -4.116   7.408   8.130
  355    H    LYS  44           H        LYS  44  -5.399   5.021  13.137
  356    HA   LYS  44           HA       LYS  44  -2.734   4.272  13.995
  357   1HB   LYS  44          1HB       LYS  44  -4.741   5.003  15.490
  358   2HB   LYS  44          2HB       LYS  44  -5.309   3.361  15.265
  359   1HG   LYS  44          1HG       LYS  44  -3.467   2.415  16.390
  360   2HG   LYS  44          2HG       LYS  44  -2.424   3.784  16.060
  361   1HD   LYS  44          1HD       LYS  44  -3.029   3.815  18.429
  362   2HD   LYS  44          2HD       LYS  44  -3.784   5.186  17.640
  363   1HE   LYS  44          1HE       LYS  44  -5.420   4.101  19.115
  364   2HE   LYS  44          2HE       LYS  44  -5.924   3.899  17.449
  365   1HZ   LYS  44          1HZ       LYS  44  -4.306   1.862  18.787
  366   2HZ   LYS  44          2HZ       LYS  44  -5.933   1.879  18.931
  367   3HZ   LYS  44          3HZ       LYS  44  -5.245   1.701  17.460
  368    H    SER  45           H        SER  45  -2.459   1.851  14.634
  369    HA   SER  45           HA       SER  45  -3.389   0.336  12.330
  370   1HB   SER  45          1HB       SER  45  -0.878   0.289  13.990
  371   2HB   SER  45          2HB       SER  45  -1.403  -1.218  13.267
  372    HG   SER  45           HG       SER  45  -0.840   1.265  11.886
  373    H    SER  46           H        SER  46  -3.646  -2.130  12.812
  374    HA   SER  46           HA       SER  46  -4.814  -2.403  15.472
  375   1HB   SER  46          1HB       SER  46  -6.558  -3.823  14.521
  376   2HB   SER  46          2HB       SER  46  -6.543  -2.288  13.675
  377    HG   SER  46           HG       SER  46  -5.307  -3.305  11.958
  378    H    LEU  47           H        LEU  47  -5.251  -5.064  15.703
  379    HA   LEU  47           HA       LEU  47  -2.567  -6.126  15.598
  380   1HB   LEU  47          1HB       LEU  47  -5.099  -7.289  16.763
  381   2HB   LEU  47          2HB       LEU  47  -3.475  -7.907  16.987
  382    HG   LEU  47           HG       LEU  47  -4.454  -5.199  17.936
  383   1HD1  LEU  47          1HD1      LEU  47  -5.540  -7.017  19.150
  384   2HD1  LEU  47          2HD1      LEU  47  -3.954  -7.745  19.504
  385   3HD1  LEU  47          3HD1      LEU  47  -4.377  -6.157  20.188
  386   1HD2  LEU  47          1HD2      LEU  47  -1.802  -6.619  18.246
  387   2HD2  LEU  47          2HD2      LEU  47  -2.126  -5.025  17.523
  388   3HD2  LEU  47          3HD2      LEU  47  -2.314  -5.261  19.277
  389    H    LEU  48           H        LEU  48  -5.505  -6.200  13.738
  390    HA   LEU  48           HA       LEU  48  -4.822  -8.747  12.524
  391   1HB   LEU  48          1HB       LEU  48  -7.143  -8.245  13.112
  392   2HB   LEU  48          2HB       LEU  48  -7.123  -6.845  12.059
  393    HG   LEU  48           HG       LEU  48  -6.633  -8.439  10.136
  394   1HD1  LEU  48          1HD1      LEU  48  -7.347 -10.481  12.254
  395   2HD1  LEU  48          2HD1      LEU  48  -7.361 -10.801  10.503
  396   3HD1  LEU  48          3HD1      LEU  48  -5.839 -10.364  11.317
  397   1HD2  LEU  48          1HD2      LEU  48  -8.815  -7.413  10.458
  398   2HD2  LEU  48          2HD2      LEU  48  -8.989  -9.090   9.888
  399   3HD2  LEU  48          3HD2      LEU  48  -9.273  -8.698  11.601
  400    H    VAL  49           H        VAL  49  -5.582  -5.398  11.317
  401    HA   VAL  49           HA       VAL  49  -3.665  -5.930   9.158
  402    HB   VAL  49           HB       VAL  49  -4.893  -4.294   7.874
  403   1HG1  VAL  49          1HG1      VAL  49  -5.644  -6.658   7.856
  404   2HG1  VAL  49          2HG1      VAL  49  -6.811  -6.277   9.145
  405   3HG1  VAL  49          3HG1      VAL  49  -6.971  -5.515   7.545
  406   1HG2  VAL  49          1HG2      VAL  49  -5.552  -2.817   9.751
  407   2HG2  VAL  49          2HG2      VAL  49  -6.920  -3.217   8.685
  408   3HG2  VAL  49          3HG2      VAL  49  -6.753  -4.027  10.261
  409    H    LYS  50           H        LYS  50  -2.562  -3.821   8.350
  410    HA   LYS  50           HA       LYS  50  -2.091  -1.967  10.545
  411   1HB   LYS  50          1HB       LYS  50  -0.429  -3.909  10.640
  412   2HB   LYS  50          2HB       LYS  50   0.227  -3.301   9.133
  413   1HG   LYS  50          1HG       LYS  50   0.409  -0.998  10.330
  414   2HG   LYS  50          2HG       LYS  50   0.106  -1.871  11.819
  415   1HD   LYS  50          1HD       LYS  50   2.068  -3.388  11.260
  416   2HD   LYS  50          2HD       LYS  50   2.405  -2.373   9.872
  417   1HE   LYS  50          1HE       LYS  50   2.609  -0.386  11.439
  418   2HE   LYS  50          2HE       LYS  50   2.405  -1.478  12.794
  419   1HZ   LYS  50          1HZ       LYS  50   4.354  -2.675  12.035
  420   2HZ   LYS  50          2HZ       LYS  50   4.548  -1.636  10.789
  421   3HZ   LYS  50          3HZ       LYS  50   4.711  -1.108  12.326
  422    H    TYR  51           H        TYR  51  -1.819   0.125   9.845
  423    HA   TYR  51           HA       TYR  51  -1.687   0.453   6.923
  424   1HB   TYR  51          1HB       TYR  51  -3.027   1.952   9.249
  425   2HB   TYR  51          2HB       TYR  51  -2.860   2.701   7.673
  426    HD1  TYR  51           HD1      TYR  51  -4.157   1.887   5.745
  427    HD2  TYR  51           HD2      TYR  51  -4.621   0.146   9.625
  428    HE1  TYR  51           HE1      TYR  51  -6.322   0.782   4.999
  429    HE2  TYR  51           HE2      TYR  51  -6.784  -0.953   8.866
  430    HH   TYR  51           HH       TYR  51  -8.171  -1.261   7.247
  431    H    VAL  52           H        VAL  52   0.560   0.696   6.686
  432    HA   VAL  52           HA       VAL  52   1.886   2.619   8.408
  433    HB   VAL  52           HB       VAL  52   2.911   0.855   6.174
  434   1HG1  VAL  52          1HG1      VAL  52   4.374   2.549   8.226
  435   2HG1  VAL  52          2HG1      VAL  52   5.147   1.327   7.187
  436   3HG1  VAL  52          3HG1      VAL  52   4.373   2.755   6.458
  437   1HG2  VAL  52          1HG2      VAL  52   2.959   0.488   9.188
  438   2HG2  VAL  52          2HG2      VAL  52   2.067  -0.495   8.003
  439   3HG2  VAL  52          3HG2      VAL  52   3.847  -0.522   8.022
  440    H    CYS  53           H        CYS  53   2.533   4.662   7.787
  441    HA   CYS  53           HA       CYS  53   1.667   5.440   5.101
  442   1HB   CYS  53          1HB       CYS  53   2.094   7.313   7.424
  443   2HB   CYS  53          2HB       CYS  53   1.278   7.635   5.907
  444    H    CYS  54           H        CYS  54   3.101   7.033   3.979
  445    HA   CYS  54           HA       CYS  54   5.741   7.349   5.082
  446   1HB   CYS  54          1HB       CYS  54   6.608   6.500   2.724
  447   2HB   CYS  54          2HB       CYS  54   6.461   5.448   4.117
  448    H    ASN  55           H        ASN  55   6.782   9.190   4.138
  449    HA   ASN  55           HA       ASN  55   4.998  10.708   2.428
  450   1HB   ASN  55          1HB       ASN  55   6.393  12.673   3.134
  451   2HB   ASN  55          2HB       ASN  55   5.714  11.832   4.513
  452   1HD2  ASN  55          2HD2      ASN  55   7.965  13.524   4.556
  453   2HD2  ASN  55          1HD2      ASN  55   9.359  12.611   5.028
  454    H    THR  56           H        THR  56   6.279   8.674   1.046
  455    HA   THR  56           HA       THR  56   8.357  10.129  -0.440
  456    HB   THR  56           HB       THR  56   9.309   7.655  -0.692
  457    HG1  THR  56           HG1      THR  56   8.680   6.426   1.215
  458   1HG2  THR  56          1HG2      THR  56  10.466   9.517   0.603
  459   2HG2  THR  56          2HG2      THR  56   9.502   9.054   2.025
  460   3HG2  THR  56          3HG2      THR  56  10.677   7.909   1.336
  461    H    ASP  57           H        ASP  57   8.439   9.744  -2.687
  462    HA   ASP  57           HA       ASP  57   5.939   9.359  -3.806
  463   1HB   ASP  57          1HB       ASP  57   8.727   9.228  -5.045
  464   2HB   ASP  57          2HB       ASP  57   7.252   9.264  -5.990
  465    H    LYS  58           H        LYS  58   5.051   7.530  -4.964
  466    HA   LYS  58           HA       LYS  58   4.610   5.339  -5.061
  467   1HB   LYS  58          1HB       LYS  58   6.251   4.119  -6.494
  468   2HB   LYS  58          2HB       LYS  58   5.753   5.673  -7.130
  469   1HG   LYS  58          1HG       LYS  58   7.826   6.730  -6.333
  470   2HG   LYS  58          2HG       LYS  58   8.305   5.262  -5.505
  471   1HD   LYS  58          1HD       LYS  58   8.530   4.057  -7.630
  472   2HD   LYS  58          2HD       LYS  58   7.847   5.404  -8.520
  473   1HE   LYS  58          1HE       LYS  58  10.262   5.501  -8.780
  474   2HE   LYS  58          2HE       LYS  58   9.788   6.840  -7.754
  475   1HZ   LYS  58          1HZ       LYS  58  10.675   4.260  -6.675
  476   2HZ   LYS  58          2HZ       LYS  58  11.694   5.506  -6.953
  477   3HZ   LYS  58          3HZ       LYS  58  10.489   5.665  -5.862
  478    H    CYS  59           H        CYS  59   4.962   5.670  -2.491
  479    HA   CYS  59           HA       CYS  59   7.123   3.922  -1.633
  480   1HB   CYS  59          1HB       CYS  59   6.903   4.813   0.501
  481   2HB   CYS  59          2HB       CYS  59   6.685   6.184  -0.568
  482    H    ASN  60           H        ASN  60   3.532   4.394  -1.462
  483    HA   ASN  60           HA       ASN  60   3.177   1.898  -0.164
  484   1HB   ASN  60          1HB       ASN  60   0.741   2.393  -0.474
  485   2HB   ASN  60          2HB       ASN  60   1.590   3.768   0.204
  486   1HD2  ASN  60          2HD2      ASN  60  -0.890   3.727  -1.246
  487   2HD2  ASN  60          1HD2      ASN  60  -0.711   4.718  -2.655
  488   1H    HOH  61          1H        HOH  61   0.918  -9.064   4.589
  489   2H    HOH  61          2H        HOH  61   0.642  -8.386   3.265
  490   1H    HOH  62          1H        HOH  62   4.639 -13.555   8.175
  491   2H    HOH  62          2H        HOH  62   5.195 -14.217   9.417
  Start of MODEL    8
    1    H    LEU   1           H        LEU   1   4.877  13.681  -4.815
    2    HA   LEU   1           HA       LEU   1   3.286  13.414  -3.262
    3   1HB   LEU   1          1HB       LEU   1   1.863  15.755  -4.537
    4   2HB   LEU   1          2HB       LEU   1   1.362  14.934  -3.072
    5    HG   LEU   1           HG       LEU   1   4.029  16.336  -3.369
    6   1HD1  LEU   1          1HD1      LEU   1   1.437  17.397  -2.213
    7   2HD1  LEU   1          2HD1      LEU   1   3.029  18.177  -2.058
    8   3HD1  LEU   1          3HD1      LEU   1   2.284  17.985  -3.664
    9   1HD2  LEU   1          1HD2      LEU   1   2.543  15.183  -1.000
   10   2HD2  LEU   1          2HD2      LEU   1   4.142  14.721  -1.632
   11   3HD2  LEU   1          3HD2      LEU   1   3.917  16.304  -0.849
   12    H    LYS   2           H        LYS   2   3.478  11.569  -5.044
   13    HA   LYS   2           HA       LYS   2   0.720  11.051  -5.835
   14   1HB   LYS   2          1HB       LYS   2   1.404  10.272  -8.046
   15   2HB   LYS   2          2HB       LYS   2   1.765  11.973  -7.834
   16   1HG   LYS   2          1HG       LYS   2   4.137  11.428  -7.318
   17   2HG   LYS   2          2HG       LYS   2   3.790   9.716  -7.456
   18   1HD   LYS   2          1HD       LYS   2   3.122  10.045  -9.847
   19   2HD   LYS   2          2HD       LYS   2   3.473  11.757  -9.709
   20   1HE   LYS   2          1HE       LYS   2   5.856  11.239  -9.176
   21   2HE   LYS   2          2HE       LYS   2   5.514   9.523  -9.272
   22   1HZ   LYS   2          1HZ       LYS   2   5.191  11.436 -11.479
   23   2HZ   LYS   2          2HZ       LYS   2   6.408  10.359 -11.324
   24   3HZ   LYS   2          3HZ       LYS   2   4.881   9.835 -11.567
   25    H    CYS   3           H        CYS   3   0.188   8.795  -5.898
   26    HA   CYS   3           HA       CYS   3   2.307   7.021  -4.985
   27   1HB   CYS   3          1HB       CYS   3  -0.347   6.764  -3.650
   28   2HB   CYS   3          2HB       CYS   3   1.242   6.273  -3.099
   29    H    LYS   4           H        LYS   4   1.329   4.634  -5.047
   30    HA   LYS   4           HA       LYS   4  -0.079   4.448  -7.590
   31   1HB   LYS   4          1HB       LYS   4   1.509   2.431  -5.979
   32   2HB   LYS   4          2HB       LYS   4   0.656   2.047  -7.460
   33   1HG   LYS   4          1HG       LYS   4   2.544   4.404  -7.473
   34   2HG   LYS   4          2HG       LYS   4   3.233   2.793  -7.487
   35   1HD   LYS   4          1HD       LYS   4   1.003   3.445  -9.427
   36   2HD   LYS   4          2HD       LYS   4   2.620   4.028  -9.769
   37   1HE   LYS   4          1HE       LYS   4   2.243   1.121  -9.012
   38   2HE   LYS   4          2HE       LYS   4   1.834   1.634 -10.637
   39   1HZ   LYS   4          1HZ       LYS   4   4.066   2.565 -10.808
   40   2HZ   LYS   4          2HZ       LYS   4   4.437   1.998  -9.323
   41   3HZ   LYS   4          3HZ       LYS   4   4.101   0.956 -10.534
   42    H    LYS   5           H        LYS   5  -1.845   2.833  -7.824
   43    HA   LYS   5           HA       LYS   5  -3.575   3.015  -5.503
   44   1HB   LYS   5          1HB       LYS   5  -4.132   2.103  -8.341
   45   2HB   LYS   5          2HB       LYS   5  -5.331   2.290  -7.077
   46   1HG   LYS   5          1HG       LYS   5  -4.136   4.752  -6.945
   47   2HG   LYS   5          2HG       LYS   5  -3.871   4.388  -8.639
   48   1HD   LYS   5          1HD       LYS   5  -6.604   4.134  -7.305
   49   2HD   LYS   5          2HD       LYS   5  -6.063   5.608  -8.082
   50   1HE   LYS   5          1HE       LYS   5  -5.780   4.410 -10.236
   51   2HE   LYS   5          2HE       LYS   5  -6.212   2.892  -9.475
   52   1HZ   LYS   5          1HZ       LYS   5  -7.969   5.240  -9.669
   53   2HZ   LYS   5          2HZ       LYS   5  -8.080   3.892 -10.584
   54   3HZ   LYS   5          3HZ       LYS   5  -8.369   3.815  -8.978
   55    H    LEU   6           H        LEU   6  -5.182   0.698  -6.014
   56    HA   LEU   6           HA       LEU   6  -3.803  -1.173  -4.489
   57   1HB   LEU   6          1HB       LEU   6  -6.287  -1.333  -6.188
   58   2HB   LEU   6          2HB       LEU   6  -5.701  -2.691  -5.247
   59    HG   LEU   6           HG       LEU   6  -5.766  -0.976  -3.251
   60   1HD1  LEU   6          1HD1      LEU   6  -7.482   0.338  -5.344
   61   2HD1  LEU   6          2HD1      LEU   6  -7.843   0.521  -3.611
   62   3HD1  LEU   6          3HD1      LEU   6  -6.273   1.058  -4.254
   63   1HD2  LEU   6          1HD2      LEU   6  -8.222  -2.283  -4.450
   64   2HD2  LEU   6          2HD2      LEU   6  -7.069  -3.000  -3.299
   65   3HD2  LEU   6          3HD2      LEU   6  -8.111  -1.650  -2.790
   66    H    VAL   7           H        VAL   7  -4.119  -0.719  -8.022
   67    HA   VAL   7           HA       VAL   7  -2.544  -3.151  -8.422
   68    HB   VAL   7           HB       VAL   7  -4.004  -1.391 -10.402
   69   1HG1  VAL   7          1HG1      VAL   7  -2.083  -2.697 -11.322
   70   2HG1  VAL   7          2HG1      VAL   7  -2.880  -4.188 -10.766
   71   3HG1  VAL   7          3HG1      VAL   7  -3.659  -3.169 -12.001
   72   1HG2  VAL   7          1HG2      VAL   7  -4.831  -3.981  -9.054
   73   2HG2  VAL   7          2HG2      VAL   7  -5.630  -2.394  -8.942
   74   3HG2  VAL   7          3HG2      VAL   7  -5.644  -3.291 -10.479
   75    HA   PRO   8           HA       PRO   8   0.926  -0.600  -9.004
   76   1HB   PRO   8          1HB       PRO   8   2.719  -2.534  -9.720
   77   2HB   PRO   8          2HB       PRO   8   2.322  -2.165  -8.053
   78   1HG   PRO   8          1HG       PRO   8   1.473  -4.473  -9.694
   79   2HG   PRO   8          2HG       PRO   8   1.449  -4.298  -7.951
   80   1HD   PRO   8          1HD       PRO   8  -0.797  -4.111  -9.725
   81   2HD   PRO   8          2HD       PRO   8  -0.799  -3.821  -7.996
   82    H    LEU   9           H        LEU   9  -0.740   0.014 -10.887
   83    HA   LEU   9           HA       LEU   9   1.008   0.016 -13.202
   84   1HB   LEU   9          1HB       LEU   9  -1.662  -1.321 -13.086
   85   2HB   LEU   9          2HB       LEU   9  -1.192  -0.491 -14.556
   86    HG   LEU   9           HG       LEU   9   0.647  -2.523 -13.311
   87   1HD1  LEU   9          1HD1      LEU   9  -1.722  -3.116 -15.103
   88   2HD1  LEU   9          2HD1      LEU   9  -0.394  -4.251 -14.764
   89   3HD1  LEU   9          3HD1      LEU   9  -1.449  -3.696 -13.443
   90   1HD2  LEU   9          1HD2      LEU   9   1.550  -1.120 -15.088
   91   2HD2  LEU   9          2HD2      LEU   9   1.400  -2.809 -15.629
   92   3HD2  LEU   9          3HD2      LEU   9   0.214  -1.595 -16.164
   93    H    PHE  10           H        PHE  10  -2.091   1.037 -11.653
   94    HA   PHE  10           HA       PHE  10  -1.923   3.530 -13.160
   95   1HB   PHE  10          1HB       PHE  10  -3.988   1.959 -11.560
   96   2HB   PHE  10          2HB       PHE  10  -4.242   3.682 -11.761
   97    HD1  PHE  10           HD1      PHE  10  -3.987   0.469 -13.538
   98    HD2  PHE  10           HD2      PHE  10  -4.932   4.593 -13.865
   99    HE1  PHE  10           HE1      PHE  10  -5.024   0.054 -15.786
  100    HE2  PHE  10           HE2      PHE  10  -5.968   4.178 -16.113
  101    HZ   PHE  10           HZ       PHE  10  -6.002   1.913 -17.047
  102    H    SER  11           H        SER  11  -1.559   5.519 -12.193
  103    HA   SER  11           HA       SER  11  -1.124   5.396  -9.310
  104   1HB   SER  11          1HB       SER  11   0.472   7.416  -9.854
  105   2HB   SER  11          2HB       SER  11   1.029   5.777 -10.131
  106    HG   SER  11           HG       SER  11   1.468   7.168 -11.956
  107    H    LYS  12           H        LYS  12  -1.711   7.344  -8.083
  108    HA   LYS  12           HA       LYS  12  -3.322   9.270  -9.576
  109   1HB   LYS  12          1HB       LYS  12  -4.869   7.545  -8.744
  110   2HB   LYS  12          2HB       LYS  12  -4.277   7.782  -7.112
  111   1HG   LYS  12          1HG       LYS  12  -5.052  10.331  -8.368
  112   2HG   LYS  12          2HG       LYS  12  -6.381   9.189  -8.349
  113   1HD   LYS  12          1HD       LYS  12  -6.010   8.822  -5.889
  114   2HD   LYS  12          2HD       LYS  12  -4.714  10.002  -5.920
  115   1HE   LYS  12          1HE       LYS  12  -6.677  11.176  -5.158
  116   2HE   LYS  12          2HE       LYS  12  -6.396  11.711  -6.803
  117   1HZ   LYS  12          1HZ       LYS  12  -8.209   9.495  -6.171
  118   2HZ   LYS  12          2HZ       LYS  12  -8.712  11.047  -6.248
  119   3HZ   LYS  12          3HZ       LYS  12  -8.093  10.322  -7.574
  120    H    THR  13           H        THR  13  -2.874  11.343  -8.998
  121    HA   THR  13           HA       THR  13  -0.911  11.728  -6.915
  122    HB   THR  13           HB       THR  13  -2.318  13.657  -8.837
  123    HG1  THR  13           HG1      THR  13  -1.030  12.221 -10.036
  124   1HG2  THR  13          1HG2      THR  13  -1.088  14.663  -6.781
  125   2HG2  THR  13          2HG2      THR  13   0.393  13.949  -7.462
  126   3HG2  THR  13          3HG2      THR  13  -0.503  15.182  -8.380
  127    H    CYS  14           H        CYS  14  -1.223  12.407  -4.877
  128    HA   CYS  14           HA       CYS  14  -3.872  12.512  -3.914
  129   1HB   CYS  14          1HB       CYS  14  -1.477  13.492  -2.385
  130   2HB   CYS  14          2HB       CYS  14  -2.942  12.748  -1.778
  131    HA   PRO  15           HA       PRO  15  -4.266  16.798  -4.904
  132   1HB   PRO  15          1HB       PRO  15  -6.949  17.008  -4.426
  133   2HB   PRO  15          2HB       PRO  15  -6.287  16.489  -5.963
  134   1HG   PRO  15          1HG       PRO  15  -7.573  14.863  -3.855
  135   2HG   PRO  15          2HG       PRO  15  -7.297  14.459  -5.538
  136   1HD   PRO  15          1HD       PRO  15  -5.805  13.512  -3.278
  137   2HD   PRO  15          2HD       PRO  15  -5.459  13.201  -4.967
  138    H    ALA  16           H        ALA  16  -5.438  18.797  -3.818
  139    HA   ALA  16           HA       ALA  16  -4.119  19.254  -1.483
  140   1HB   ALA  16          1HB       ALA  16  -6.802  20.346  -2.422
  141   2HB   ALA  16          2HB       ALA  16  -5.788  21.076  -1.155
  142   3HB   ALA  16          3HB       ALA  16  -5.194  20.990  -2.831
  143    H    GLY  17           H        GLY  17  -4.340  18.692   0.645
  144   1HA   GLY  17          1HA       GLY  17  -5.879  18.296   2.479
  145   2HA   GLY  17          2HA       GLY  17  -6.841  17.303   1.402
  146    H    LYS  18           H        LYS  18  -4.783  15.848   0.042
  147    HA   LYS  18           HA       LYS  18  -3.659  14.330   2.293
  148   1HB   LYS  18          1HB       LYS  18  -4.586  13.251  -0.385
  149   2HB   LYS  18          2HB       LYS  18  -3.947  12.316   0.953
  150   1HG   LYS  18          1HG       LYS  18  -5.848  12.828   2.355
  151   2HG   LYS  18          2HG       LYS  18  -6.397  14.096   1.277
  152   1HD   LYS  18          1HD       LYS  18  -6.813  12.370  -0.509
  153   2HD   LYS  18          2HD       LYS  18  -6.316  11.115   0.610
  154   1HE   LYS  18          1HE       LYS  18  -8.559  13.058   1.296
  155   2HE   LYS  18          2HE       LYS  18  -8.866  11.589   0.391
  156   1HZ   LYS  18          1HZ       LYS  18  -7.889  10.346   2.207
  157   2HZ   LYS  18          2HZ       LYS  18  -7.624  11.718   3.052
  158   3HZ   LYS  18          3HZ       LYS  18  -9.152  11.238   2.731
  159    H    ASN  19           H        ASN  19  -1.480  13.899   2.277
  160    HA   ASN  19           HA       ASN  19  -0.076  14.446  -0.193
  161   1HB   ASN  19          1HB       ASN  19   0.478  15.747   2.516
  162   2HB   ASN  19          2HB       ASN  19   1.716  15.647   1.280
  163   1HD2  ASN  19          2HD2      ASN  19   0.212  17.906   2.525
  164   2HD2  ASN  19          1HD2      ASN  19  -0.433  18.837   1.214
  165    H    LEU  20           H        LEU  20  -0.907  12.159   1.811
  166    HA   LEU  20           HA       LEU  20   1.805  11.077   2.118
  167   1HB   LEU  20          1HB       LEU  20  -0.513  10.849   4.041
  168   2HB   LEU  20          2HB       LEU  20   0.958   9.902   4.144
  169    HG   LEU  20           HG       LEU  20   0.922  12.928   4.240
  170   1HD1  LEU  20          1HD1      LEU  20  -0.396  12.037   6.102
  171   2HD1  LEU  20          2HD1      LEU  20   0.962  10.983   6.565
  172   3HD1  LEU  20          3HD1      LEU  20   1.134  12.752   6.666
  173   1HD2  LEU  20          1HD2      LEU  20   3.044  10.851   4.811
  174   2HD2  LEU  20          2HD2      LEU  20   3.070  12.157   3.602
  175   3HD2  LEU  20          3HD2      LEU  20   3.166  12.548   5.335
  176    H    CYS  21           H        CYS  21   1.797   8.618   2.174
  177    HA   CYS  21           HA       CYS  21  -0.311   7.675   0.368
  178   1HB   CYS  21          1HB       CYS  21   2.548   6.699   0.533
  179   2HB   CYS  21          2HB       CYS  21   1.310   6.110  -0.559
  180    H    TYR  22           H        TYR  22  -1.672   6.246   1.386
  181    HA   TYR  22           HA       TYR  22  -0.687   4.927   3.801
  182   1HB   TYR  22          1HB       TYR  22  -2.995   4.966   4.377
  183   2HB   TYR  22          2HB       TYR  22  -2.942   6.348   3.300
  184    HD1  TYR  22           HD1      TYR  22  -3.437   2.628   3.133
  185    HD2  TYR  22           HD2      TYR  22  -4.522   6.473   1.603
  186    HE1  TYR  22           HE1      TYR  22  -5.198   1.549   1.651
  187    HE2  TYR  22           HE2      TYR  22  -6.280   5.381   0.126
  188    HH   TYR  22           HH       TYR  22  -7.250   3.547  -0.457
  189    H    LYS  23           H        LYS  23  -0.633   2.686   4.052
  190    HA   LYS  23           HA       LYS  23  -1.491   1.107   1.747
  191   1HB   LYS  23          1HB       LYS  23   0.965   1.637   1.574
  192   2HB   LYS  23          2HB       LYS  23   1.212   0.767   3.074
  193   1HG   LYS  23          1HG       LYS  23  -0.365  -0.979   1.498
  194   2HG   LYS  23          2HG       LYS  23   0.781  -0.286   0.368
  195   1HD   LYS  23          1HD       LYS  23   1.643  -1.440   3.055
  196   2HD   LYS  23          2HD       LYS  23   1.531  -2.423   1.609
  197   1HE   LYS  23          1HE       LYS  23   3.139  -0.891   0.446
  198   2HE   LYS  23          2HE       LYS  23   3.254   0.086   1.896
  199   1HZ   LYS  23          1HZ       LYS  23   4.089  -1.846   3.058
  200   2HZ   LYS  23          2HZ       LYS  23   3.984  -2.755   1.706
  201   3HZ   LYS  23          3HZ       LYS  23   5.031  -1.503   1.769
  202    H    MET  24           H        MET  24  -2.567  -0.743   2.309
  203    HA   MET  24           HA       MET  24  -2.552  -1.333   5.168
  204   1HB   MET  24          1HB       MET  24  -4.719  -0.481   3.996
  205   2HB   MET  24          2HB       MET  24  -4.746  -2.010   3.140
  206   1HG   MET  24          1HG       MET  24  -4.470  -2.079   6.147
  207   2HG   MET  24          2HG       MET  24  -6.040  -1.687   5.476
  208   1HE   MET  24          1HE       MET  24  -7.614  -3.253   4.419
  209   2HE   MET  24          2HE       MET  24  -7.514  -4.976   4.856
  210   3HE   MET  24          3HE       MET  24  -7.432  -3.730   6.124
  211    H    PHE  25           H        PHE  25  -1.895  -3.356   5.812
  212    HA   PHE  25           HA       PHE  25  -2.014  -5.512   3.866
  213   1HB   PHE  25          1HB       PHE  25   0.416  -6.042   4.522
  214   2HB   PHE  25          2HB       PHE  25   0.243  -4.572   3.583
  215    HD1  PHE  25           HD1      PHE  25   0.257  -2.352   4.802
  216    HD2  PHE  25           HD2      PHE  25   1.360  -5.993   6.680
  217    HE1  PHE  25           HE1      PHE  25   1.444  -1.064   6.599
  218    HE2  PHE  25           HE2      PHE  25   2.548  -4.706   8.478
  219    HZ   PHE  25           HZ       PHE  25   2.576  -2.256   8.416
  220    H    MET  26           H        MET  26  -1.691  -7.669   4.886
  221    HA   MET  26           HA       MET  26  -2.790  -7.593   7.545
  222   1HB   MET  26          1HB       MET  26  -2.513  -9.589   5.297
  223   2HB   MET  26          2HB       MET  26  -2.599 -10.257   6.915
  224   1HG   MET  26          1HG       MET  26  -4.868 -10.110   6.637
  225   2HG   MET  26          2HG       MET  26  -4.652  -8.414   7.020
  226   1HE   MET  26          1HE       MET  26  -4.009 -10.829   3.960
  227   2HE   MET  26          2HE       MET  26  -5.708 -10.996   4.464
  228   3HE   MET  26          3HE       MET  26  -5.316 -10.278   2.884
  229    H    VAL  27           H        VAL  27  -1.680  -8.094   9.409
  230    HA   VAL  27           HA       VAL  27   1.125  -8.294   9.298
  231    HB   VAL  27           HB       VAL  27  -0.835  -8.802  11.546
  232   1HG1  VAL  27          1HG1      VAL  27   2.172  -8.439  11.529
  233   2HG1  VAL  27          2HG1      VAL  27   1.176  -8.181  12.982
  234   3HG1  VAL  27          3HG1      VAL  27   1.223  -9.783  12.207
  235   1HG2  VAL  27          1HG2      VAL  27   0.601  -6.301  10.613
  236   2HG2  VAL  27          2HG2      VAL  27  -1.152  -6.576  10.748
  237   3HG2  VAL  27          3HG2      VAL  27  -0.155  -6.458  12.217
  238    H    ALA  28           H        ALA  28   1.255 -10.130   7.721
  239    HA   ALA  28           HA       ALA  28   1.841 -12.516   9.112
  240   1HB   ALA  28          1HB       ALA  28  -0.690 -12.420   7.431
  241   2HB   ALA  28          2HB       ALA  28   0.155 -13.932   7.842
  242   3HB   ALA  28          3HB       ALA  28  -0.528 -12.915   9.133
  243    H    ALA  29           H        ALA  29   1.014 -10.887   6.003
  244    HA   ALA  29           HA       ALA  29   3.337 -12.265   4.837
  245   1HB   ALA  29          1HB       ALA  29   0.711 -11.442   3.531
  246   2HB   ALA  29          2HB       ALA  29   2.118 -12.107   2.667
  247   3HB   ALA  29          3HB       ALA  29   1.256 -13.104   3.863
  248    HA   PRO  30           HA       PRO  30   4.121  -7.824   4.840
  249   1HB   PRO  30          1HB       PRO  30   6.671  -7.924   5.818
  250   2HB   PRO  30          2HB       PRO  30   5.263  -7.689   6.834
  251   1HG   PRO  30          1HG       PRO  30   6.914 -10.116   6.489
  252   2HG   PRO  30          2HG       PRO  30   5.796  -9.724   7.780
  253   1HD   PRO  30          1HD       PRO  30   5.337 -11.533   5.602
  254   2HD   PRO  30          2HD       PRO  30   4.179 -11.052   6.826
  255    H    HIS  31           H        HIS  31   3.854  -8.928   2.521
  256    HA   HIS  31           HA       HIS  31   6.209  -7.972   1.178
  257   1HB   HIS  31          1HB       HIS  31   6.902 -10.238   1.554
  258   2HB   HIS  31          2HB       HIS  31   5.355 -10.870   1.028
  259    HD1  HIS  31           HD1      HIS  31   5.580 -11.937  -1.208
  260    HD2  HIS  31           HD2      HIS  31   7.990  -8.522  -0.857
  261    HE1  HIS  31           HE1      HIS  31   6.762 -11.663  -3.452
  262    H    VAL  32           H        VAL  32   3.003  -9.628   0.976
  263    HA   VAL  32           HA       VAL  32   2.519  -8.194  -1.527
  264    HB   VAL  32           HB       VAL  32   1.002 -10.448  -0.195
  265   1HG1  VAL  32          1HG1      VAL  32   0.712  -9.189  -2.944
  266   2HG1  VAL  32          2HG1      VAL  32  -0.114 -10.670  -2.401
  267   3HG1  VAL  32          3HG1      VAL  32  -0.460  -9.115  -1.605
  268   1HG2  VAL  32          1HG2      VAL  32   3.018 -10.463  -2.464
  269   2HG2  VAL  32          2HG2      VAL  32   3.172 -11.247  -0.874
  270   3HG2  VAL  32          3HG2      VAL  32   1.966 -11.836  -2.043
  271    HA   PRO  33           HA       PRO  33   0.142  -5.425   0.868
  272   1HB   PRO  33          1HB       PRO  33  -0.491  -3.683  -1.140
  273   2HB   PRO  33          2HB       PRO  33   1.004  -3.595  -0.231
  274   1HG   PRO  33          1HG       PRO  33   0.566  -4.569  -2.987
  275   2HG   PRO  33          2HG       PRO  33   2.064  -4.077  -2.222
  276   1HD   PRO  33          1HD       PRO  33   1.195  -6.764  -2.725
  277   2HD   PRO  33          2HD       PRO  33   2.636  -6.274  -1.857
  278    H    VAL  34           H        VAL  34  -2.090  -4.288   0.729
  279    HA   VAL  34           HA       VAL  34  -3.872  -6.256  -0.533
  280    HB   VAL  34           HB       VAL  34  -4.277  -4.786   2.079
  281   1HG1  VAL  34          1HG1      VAL  34  -6.372  -5.259   0.890
  282   2HG1  VAL  34          2HG1      VAL  34  -5.915  -6.974   0.753
  283   3HG1  VAL  34          3HG1      VAL  34  -6.223  -6.260   2.354
  284   1HG2  VAL  34          1HG2      VAL  34  -2.476  -6.592   2.057
  285   2HG2  VAL  34          2HG2      VAL  34  -3.795  -6.800   3.234
  286   3HG2  VAL  34          3HG2      VAL  34  -3.785  -7.753   1.731
  287    H    LYS  35           H        LYS  35  -3.655  -2.884   0.808
  288    HA   LYS  35           HA       LYS  35  -5.141  -2.018  -1.562
  289   1HB   LYS  35          1HB       LYS  35  -5.731  -1.211   1.302
  290   2HB   LYS  35          2HB       LYS  35  -6.406  -0.429  -0.113
  291   1HG   LYS  35          1HG       LYS  35  -7.879  -2.140  -0.518
  292   2HG   LYS  35          2HG       LYS  35  -6.691  -3.380  -0.169
  293   1HD   LYS  35          1HD       LYS  35  -7.119  -3.329   2.163
  294   2HD   LYS  35          2HD       LYS  35  -7.806  -1.718   2.105
  295   1HE   LYS  35          1HE       LYS  35  -9.660  -3.232   2.398
  296   2HE   LYS  35          2HE       LYS  35  -9.741  -2.674   0.739
  297   1HZ   LYS  35          1HZ       LYS  35  -8.601  -4.692   0.077
  298   2HZ   LYS  35          2HZ       LYS  35  -8.558  -5.215   1.624
  299   3HZ   LYS  35          3HZ       LYS  35  -9.991  -5.038   0.860
  300    H    ARG  36           H        ARG  36  -4.827   0.352  -2.005
  301    HA   ARG  36           HA       ARG  36  -2.646   1.571  -0.654
  302   1HB   ARG  36          1HB       ARG  36  -2.346   0.818  -3.607
  303   2HB   ARG  36          2HB       ARG  36  -1.226   1.822  -2.708
  304   1HG   ARG  36          1HG       ARG  36  -0.807  -0.088  -1.127
  305   2HG   ARG  36          2HG       ARG  36  -1.896  -1.089  -2.066
  306   1HD   ARG  36          1HD       ARG  36   0.208   0.241  -3.695
  307   2HD   ARG  36          2HD       ARG  36   0.840  -0.873  -2.499
  308    HE   ARG  36           HE       ARG  36  -1.400  -2.041  -3.929
  309   1HH1  ARG  36          1HH1      ARG  36   2.037  -1.336  -4.192
  310   2HH1  ARG  36          2HH1      ARG  36   2.342  -2.606  -5.329
  311   1HH2  ARG  36          1HH2      ARG  36  -0.999  -3.718  -5.429
  312   2HH2  ARG  36          2HH2      ARG  36   0.603  -3.971  -6.037
  313    H    GLY  37           H        GLY  37  -3.139   3.748  -0.593
  314   1HA   GLY  37          1HA       GLY  37  -4.240   5.070  -2.919
  315   2HA   GLY  37          2HA       GLY  37  -5.355   4.921  -1.574
  316    H    CYS  38           H        CYS  38  -5.160   7.394  -1.742
  317    HA   CYS  38           HA       CYS  38  -2.716   8.341  -0.465
  318   1HB   CYS  38          1HB       CYS  38  -4.894   9.737  -2.016
  319   2HB   CYS  38          2HB       CYS  38  -3.732  10.619  -1.045
  320    H    ILE  39           H        ILE  39  -3.047  10.015   1.323
  321    HA   ILE  39           HA       ILE  39  -5.602  10.036   2.613
  322    HB   ILE  39           HB       ILE  39  -4.460   7.810   3.205
  323   1HG1  ILE  39          1HG1      ILE  39  -5.200   9.422   5.631
  324   2HG1  ILE  39          2HG1      ILE  39  -6.394   9.146   4.379
  325   1HG2  ILE  39          1HG2      ILE  39  -2.218   8.765   3.609
  326   2HG2  ILE  39          2HG2      ILE  39  -2.865   9.642   5.016
  327   3HG2  ILE  39          3HG2      ILE  39  -2.847   7.862   5.007
  328   1HD1  ILE  39          1HD1      ILE  39  -4.791   6.935   5.745
  329   2HD1  ILE  39          2HD1      ILE  39  -6.457   7.396   6.170
  330   3HD1  ILE  39          3HD1      ILE  39  -6.106   6.709   4.566
  331    H    ASP  40           H        ASP  40  -5.502  11.439   4.629
  332    HA   ASP  40           HA       ASP  40  -3.481  13.467   4.134
  333   1HB   ASP  40          1HB       ASP  40  -5.033  14.973   5.405
  334   2HB   ASP  40          2HB       ASP  40  -5.774  14.285   3.973
  335    H    VAL  41           H        VAL  41  -5.286  11.681   6.738
  336    HA   VAL  41           HA       VAL  41  -3.046  12.269   8.549
  337    HB   VAL  41           HB       VAL  41  -5.311  13.259   9.069
  338   1HG1  VAL  41          1HG1      VAL  41  -6.629  11.268   8.329
  339   2HG1  VAL  41          2HG1      VAL  41  -6.034  10.394   9.761
  340   3HG1  VAL  41          3HG1      VAL  41  -7.049  11.842   9.961
  341   1HG2  VAL  41          1HG2      VAL  41  -3.571  13.014  10.769
  342   2HG2  VAL  41          2HG2      VAL  41  -5.178  12.705  11.468
  343   3HG2  VAL  41          3HG2      VAL  41  -4.096  11.344  11.089
  344    H    CYS  42           H        CYS  42  -1.967  10.555   9.473
  345    HA   CYS  42           HA       CYS  42  -2.486   7.998   8.329
  346   1HB   CYS  42          1HB       CYS  42  -0.214   9.046   8.883
  347   2HB   CYS  42          2HB       CYS  42  -0.535   8.600  10.547
  348    HA   PRO  43           HA       PRO  43  -5.157   6.900  11.647
  349   1HB   PRO  43          1HB       PRO  43  -5.880   4.430  10.727
  350   2HB   PRO  43          2HB       PRO  43  -6.672   5.910  10.223
  351   1HG   PRO  43          1HG       PRO  43  -4.747   4.237   8.728
  352   2HG   PRO  43          2HG       PRO  43  -5.855   5.450   8.116
  353   1HD   PRO  43          1HD       PRO  43  -3.027   5.744   8.494
  354   2HD   PRO  43          2HD       PRO  43  -4.153   6.990   7.993
  355    H    LYS  44           H        LYS  44  -5.559   4.782  13.058
  356    HA   LYS  44           HA       LYS  44  -2.889   4.247  14.063
  357   1HB   LYS  44          1HB       LYS  44  -5.057   4.961  15.401
  358   2HB   LYS  44          2HB       LYS  44  -5.401   3.243  15.359
  359   1HG   LYS  44          1HG       LYS  44  -4.141   3.668  17.383
  360   2HG   LYS  44          2HG       LYS  44  -3.080   2.806  16.287
  361   1HD   LYS  44          1HD       LYS  44  -1.777   4.714  15.816
  362   2HD   LYS  44          2HD       LYS  44  -3.067   5.828  16.223
  363   1HE   LYS  44          1HE       LYS  44  -2.834   5.255  18.633
  364   2HE   LYS  44          2HE       LYS  44  -1.590   4.082  18.251
  365   1HZ   LYS  44          1HZ       LYS  44  -1.415   6.965  17.710
  366   2HZ   LYS  44          2HZ       LYS  44  -0.652   6.176  18.919
  367   3HZ   LYS  44          3HZ       LYS  44  -0.254   5.870  17.365
  368    H    SER  45           H        SER  45  -2.274   1.993  14.664
  369    HA   SER  45           HA       SER  45  -3.208   0.226  12.561
  370   1HB   SER  45          1HB       SER  45  -0.662   0.436  14.174
  371   2HB   SER  45          2HB       SER  45  -1.085  -1.106  13.457
  372    HG   SER  45           HG       SER  45  -0.739   1.412  12.067
  373    H    SER  46           H        SER  46  -3.296  -2.200  13.197
  374    HA   SER  46           HA       SER  46  -4.202  -2.433  15.957
  375   1HB   SER  46          1HB       SER  46  -6.054  -3.868  15.236
  376   2HB   SER  46          2HB       SER  46  -6.162  -2.315  14.432
  377    HG   SER  46           HG       SER  46  -6.478  -3.826  12.816
  378    H    LEU  47           H        LEU  47  -4.665  -5.128  16.162
  379    HA   LEU  47           HA       LEU  47  -2.005  -6.188  15.782
  380   1HB   LEU  47          1HB       LEU  47  -4.424  -7.384  17.140
  381   2HB   LEU  47          2HB       LEU  47  -2.787  -8.007  17.197
  382    HG   LEU  47           HG       LEU  47  -3.671  -5.329  18.308
  383   1HD1  LEU  47          1HD1      LEU  47  -4.642  -7.182  19.565
  384   2HD1  LEU  47          2HD1      LEU  47  -3.030  -7.916  19.751
  385   3HD1  LEU  47          3HD1      LEU  47  -3.388  -6.349  20.516
  386   1HD2  LEU  47          1HD2      LEU  47  -1.003  -6.751  18.333
  387   2HD2  LEU  47          2HD2      LEU  47  -1.392  -5.138  17.688
  388   3HD2  LEU  47          3HD2      LEU  47  -1.417  -5.424  19.445
  389    H    LEU  48           H        LEU  48  -5.018  -6.119  14.111
  390    HA   LEU  48           HA       LEU  48  -4.484  -8.661  12.793
  391   1HB   LEU  48          1HB       LEU  48  -6.741  -8.219  13.582
  392   2HB   LEU  48          2HB       LEU  48  -6.816  -6.747  12.634
  393    HG   LEU  48           HG       LEU  48  -6.494  -8.203  10.567
  394   1HD1  LEU  48          1HD1      LEU  48  -7.053 -10.389  12.587
  395   2HD1  LEU  48          2HD1      LEU  48  -7.189 -10.583  10.822
  396   3HD1  LEU  48          3HD1      LEU  48  -5.613 -10.203  11.558
  397   1HD2  LEU  48          1HD2      LEU  48  -9.001  -8.553  12.235
  398   2HD2  LEU  48          2HD2      LEU  48  -8.634  -7.202  11.134
  399   3HD2  LEU  48          3HD2      LEU  48  -8.868  -8.842  10.483
  400    H    VAL  49           H        VAL  49  -5.448  -5.332  11.691
  401    HA   VAL  49           HA       VAL  49  -3.741  -5.779   9.356
  402    HB   VAL  49           HB       VAL  49  -6.141  -4.069   9.938
  403   1HG1  VAL  49          1HG1      VAL  49  -4.205  -3.717   7.625
  404   2HG1  VAL  49          2HG1      VAL  49  -5.821  -2.979   7.728
  405   3HG1  VAL  49          3HG1      VAL  49  -4.564  -2.537   8.909
  406   1HG2  VAL  49          1HG2      VAL  49  -6.446  -6.381   9.093
  407   2HG2  VAL  49          2HG2      VAL  49  -7.047  -5.149   7.957
  408   3HG2  VAL  49          3HG2      VAL  49  -5.492  -5.959   7.651
  409    H    LYS  50           H        LYS  50  -2.283  -4.073   8.649
  410    HA   LYS  50           HA       LYS  50  -1.606  -2.197  10.801
  411   1HB   LYS  50          1HB       LYS  50   0.047  -4.321   9.601
  412   2HB   LYS  50          2HB       LYS  50   0.817  -2.747   9.620
  413   1HG   LYS  50          1HG       LYS  50   0.154  -2.560  12.091
  414   2HG   LYS  50          2HG       LYS  50  -0.361  -4.233  12.012
  415   1HD   LYS  50          1HD       LYS  50   1.828  -4.550  12.723
  416   2HD   LYS  50          2HD       LYS  50   2.083  -4.611  10.991
  417   1HE   LYS  50          1HE       LYS  50   3.732  -3.074  11.671
  418   2HE   LYS  50          2HE       LYS  50   2.433  -2.010  11.167
  419   1HZ   LYS  50          1HZ       LYS  50   2.924  -2.869  13.935
  420   2HZ   LYS  50          2HZ       LYS  50   3.306  -1.407  13.316
  421   3HZ   LYS  50          3HZ       LYS  50   1.741  -1.852  13.455
  422    H    TYR  51           H        TYR  51  -1.324  -0.102  10.152
  423    HA   TYR  51           HA       TYR  51  -1.404   0.337   7.243
  424   1HB   TYR  51          1HB       TYR  51  -2.466   1.768   9.742
  425   2HB   TYR  51          2HB       TYR  51  -2.318   2.642   8.231
  426    HD1  TYR  51           HD1      TYR  51  -3.708   1.984   6.261
  427    HD2  TYR  51           HD2      TYR  51  -4.246   0.189  10.107
  428    HE1  TYR  51           HE1      TYR  51  -5.991   1.123   5.547
  429    HE2  TYR  51           HE2      TYR  51  -6.528  -0.667   9.380
  430    HH   TYR  51           HH       TYR  51  -7.775   0.064   6.131
  431    H    VAL  52           H        VAL  52   0.426   1.158   6.370
  432    HA   VAL  52           HA       VAL  52   2.159   2.708   8.170
  433    HB   VAL  52           HB       VAL  52   2.752   0.702   6.012
  434   1HG1  VAL  52          1HG1      VAL  52   4.575   2.903   7.021
  435   2HG1  VAL  52          2HG1      VAL  52   5.171   1.423   6.235
  436   3HG1  VAL  52          3HG1      VAL  52   4.113   2.541   5.341
  437   1HG2  VAL  52          1HG2      VAL  52   2.543   0.042   8.441
  438   2HG2  VAL  52          2HG2      VAL  52   4.100  -0.357   7.678
  439   3HG2  VAL  52          3HG2      VAL  52   3.976   1.048   8.765
  440    H    CYS  53           H        CYS  53   2.612   4.786   7.581
  441    HA   CYS  53           HA       CYS  53   1.682   5.563   4.913
  442   1HB   CYS  53          1HB       CYS  53   1.945   7.394   7.298
  443   2HB   CYS  53          2HB       CYS  53   1.168   7.727   5.763
  444    H    CYS  54           H        CYS  54   3.132   6.776   3.610
  445    HA   CYS  54           HA       CYS  54   5.714   7.392   4.822
  446   1HB   CYS  54          1HB       CYS  54   6.660   6.633   2.501
  447   2HB   CYS  54          2HB       CYS  54   6.432   5.492   3.811
  448    H    ASN  55           H        ASN  55   6.675   9.300   3.937
  449    HA   ASN  55           HA       ASN  55   4.822  10.816   2.309
  450   1HB   ASN  55          1HB       ASN  55   6.204  12.785   3.015
  451   2HB   ASN  55          2HB       ASN  55   5.616  11.887   4.400
  452   1HD2  ASN  55          2HD2      ASN  55   7.838  13.635   4.351
  453   2HD2  ASN  55          1HD2      ASN  55   9.271  12.741   4.734
  454    H    THR  56           H        THR  56   6.108   8.818   0.848
  455    HA   THR  56           HA       THR  56   8.064  10.361  -0.711
  456    HB   THR  56           HB       THR  56   9.041   7.865  -1.016
  457    HG1  THR  56           HG1      THR  56   8.016   7.984   1.718
  458   1HG2  THR  56          1HG2      THR  56   9.459   9.594   1.479
  459   2HG2  THR  56          2HG2      THR  56  10.501   8.224   1.023
  460   3HG2  THR  56          3HG2      THR  56  10.414   9.663  -0.022
  461    H    ASP  57           H        ASP  57   8.083   9.962  -2.966
  462    HA   ASP  57           HA       ASP  57   5.535   9.453  -3.963
  463   1HB   ASP  57          1HB       ASP  57   8.254   9.556  -5.352
  464   2HB   ASP  57          2HB       ASP  57   6.726   9.519  -6.210
  465    H    LYS  58           H        LYS  58   4.697   7.566  -5.023
  466    HA   LYS  58           HA       LYS  58   4.434   5.349  -5.148
  467   1HB   LYS  58          1HB       LYS  58   7.099   5.533  -6.581
  468   2HB   LYS  58          2HB       LYS  58   5.851   4.328  -6.825
  469   1HG   LYS  58          1HG       LYS  58   4.292   6.015  -7.679
  470   2HG   LYS  58          2HG       LYS  58   5.386   7.315  -7.248
  471   1HD   LYS  58          1HD       LYS  58   5.642   6.934  -9.624
  472   2HD   LYS  58          2HD       LYS  58   7.095   6.333  -8.850
  473   1HE   LYS  58          1HE       LYS  58   4.989   4.269  -9.026
  474   2HE   LYS  58          2HE       LYS  58   5.440   4.891 -10.600
  475   1HZ   LYS  58          1HZ       LYS  58   7.340   3.895  -8.592
  476   2HZ   LYS  58          2HZ       LYS  58   6.834   3.062  -9.902
  477   3HZ   LYS  58          3HZ       LYS  58   7.724   4.418 -10.090
  478    H    CYS  59           H        CYS  59   4.985   5.660  -2.611
  479    HA   CYS  59           HA       CYS  59   7.333   4.045  -2.006
  480   1HB   CYS  59          1HB       CYS  59   7.095   4.805   0.271
  481   2HB   CYS  59          2HB       CYS  59   7.149   6.168  -0.830
  482    H    ASN  60           H        ASN  60   3.756   4.311  -1.573
  483    HA   ASN  60           HA       ASN  60   3.631   1.848  -0.174
  484   1HB   ASN  60          1HB       ASN  60   1.158   2.183  -0.348
  485   2HB   ASN  60          2HB       ASN  60   1.954   3.640   0.214
  486   1HD2  ASN  60          2HD2      ASN  60  -0.566   3.637  -0.916
  487   2HD2  ASN  60          1HD2      ASN  60  -0.548   4.477  -2.431
  488   1H    HOH  61          1H        HOH  61  -0.661  -9.662   3.545
  489   2H    HOH  61          2H        HOH  61   0.319  -8.529   3.329
  490   1H    HOH  62          1H        HOH  62   5.272 -11.612   8.492
  491   2H    HOH  62          2H        HOH  62   4.584 -11.954   9.796
  Start of MODEL    9
    1    H    LEU   1           H        LEU   1   3.902  14.010  -6.004
    2    HA   LEU   1           HA       LEU   1   3.175  13.210  -3.395
    3   1HB   LEU   1          1HB       LEU   1   1.539  15.461  -4.570
    4   2HB   LEU   1          2HB       LEU   1   1.185  14.567  -3.104
    5    HG   LEU   1           HG       LEU   1   3.658  16.274  -3.491
    6   1HD1  LEU   1          1HD1      LEU   1   0.962  16.944  -2.306
    7   2HD1  LEU   1          2HD1      LEU   1   2.444  17.840  -1.893
    8   3HD1  LEU   1          3HD1      LEU   1   1.868  17.801  -3.576
    9   1HD2  LEU   1          1HD2      LEU   1   2.497  14.823  -1.109
   10   2HD2  LEU   1          2HD2      LEU   1   4.114  14.656  -1.835
   11   3HD2  LEU   1          3HD2      LEU   1   3.682  16.142  -0.956
   12    H    LYS   2           H        LYS   2   3.563  11.511  -5.301
   13    HA   LYS   2           HA       LYS   2   0.875  10.917  -6.305
   14   1HB   LYS   2          1HB       LYS   2   2.463  11.888  -8.070
   15   2HB   LYS   2          2HB       LYS   2   3.374  10.399  -7.924
   16   1HG   LYS   2          1HG       LYS   2   1.393   9.066  -8.533
   17   2HG   LYS   2          2HG       LYS   2   0.383  10.498  -8.531
   18   1HD   LYS   2          1HD       LYS   2   2.082  11.420 -10.323
   19   2HD   LYS   2          2HD       LYS   2   2.577   9.748 -10.491
   20   1HE   LYS   2          1HE       LYS   2   0.176   9.113 -10.947
   21   2HE   LYS   2          2HE       LYS   2  -0.269  10.805 -10.851
   22   1HZ   LYS   2          1HZ       LYS   2   1.243  11.241 -12.671
   23   2HZ   LYS   2          2HZ       LYS   2   1.645   9.661 -12.765
   24   3HZ   LYS   2          3HZ       LYS   2   0.121  10.137 -13.107
   25    H    CYS   3           H        CYS   3   0.255   8.753  -6.154
   26    HA   CYS   3           HA       CYS   3   2.295   6.910  -5.189
   27   1HB   CYS   3          1HB       CYS   3  -0.398   6.918  -3.870
   28   2HB   CYS   3          2HB       CYS   3   1.105   6.200  -3.326
   29    H    LYS   4           H        LYS   4   1.344   4.569  -5.290
   30    HA   LYS   4           HA       LYS   4  -0.117   4.378  -7.795
   31   1HB   LYS   4          1HB       LYS   4   1.349   2.285  -6.159
   32   2HB   LYS   4          2HB       LYS   4   0.584   2.003  -7.709
   33   1HG   LYS   4          1HG       LYS   4   2.515   4.301  -7.556
   34   2HG   LYS   4          2HG       LYS   4   3.200   2.691  -7.466
   35   1HD   LYS   4          1HD       LYS   4   1.146   3.131  -9.608
   36   2HD   LYS   4          2HD       LYS   4   2.673   3.964  -9.822
   37   1HE   LYS   4          1HE       LYS   4   3.913   1.834  -9.622
   38   2HE   LYS   4          2HE       LYS   4   2.432   0.969  -9.261
   39   1HZ   LYS   4          1HZ       LYS   4   1.612   1.613 -11.438
   40   2HZ   LYS   4          2HZ       LYS   4   3.015   2.379 -11.773
   41   3HZ   LYS   4          3HZ       LYS   4   2.999   0.760 -11.561
   42    H    LYS   5           H        LYS   5  -1.930   2.819  -8.001
   43    HA   LYS   5           HA       LYS   5  -3.638   3.068  -5.666
   44   1HB   LYS   5          1HB       LYS   5  -4.278   2.128  -8.478
   45   2HB   LYS   5          2HB       LYS   5  -5.437   2.447  -7.204
   46   1HG   LYS   5          1HG       LYS   5  -4.190   4.833  -7.146
   47   2HG   LYS   5          2HG       LYS   5  -3.774   4.399  -8.793
   48   1HD   LYS   5          1HD       LYS   5  -5.817   5.492  -9.125
   49   2HD   LYS   5          2HD       LYS   5  -6.346   3.824  -9.027
   50   1HE   LYS   5          1HE       LYS   5  -6.853   4.132  -6.590
   51   2HE   LYS   5          2HE       LYS   5  -6.334   5.803  -6.696
   52   1HZ   LYS   5          1HZ       LYS   5  -8.065   6.174  -8.323
   53   2HZ   LYS   5          2HZ       LYS   5  -8.548   4.617  -8.223
   54   3HZ   LYS   5          3HZ       LYS   5  -8.702   5.604  -6.931
   55    H    LEU   6           H        LEU   6  -5.323   0.812  -6.128
   56    HA   LEU   6           HA       LEU   6  -4.043  -1.093  -4.598
   57   1HB   LEU   6          1HB       LEU   6  -6.390  -1.420  -6.473
   58   2HB   LEU   6          2HB       LEU   6  -5.927  -2.548  -5.214
   59    HG   LEU   6           HG       LEU   6  -6.177  -0.073  -3.906
   60   1HD1  LEU   6          1HD1      LEU   6  -8.431  -0.485  -5.887
   61   2HD1  LEU   6          2HD1      LEU   6  -8.495   0.605  -4.482
   62   3HD1  LEU   6          3HD1      LEU   6  -7.321   0.903  -5.786
   63   1HD2  LEU   6          1HD2      LEU   6  -6.734  -2.416  -3.138
   64   2HD2  LEU   6          2HD2      LEU   6  -7.887  -1.145  -2.666
   65   3HD2  LEU   6          3HD2      LEU   6  -8.277  -2.246  -4.009
   66    H    VAL   7           H        VAL   7  -4.326  -0.758  -8.167
   67    HA   VAL   7           HA       VAL   7  -2.669  -3.150  -8.450
   68    HB   VAL   7           HB       VAL   7  -4.162  -1.534 -10.524
   69   1HG1  VAL   7          1HG1      VAL   7  -2.217  -2.851 -11.363
   70   2HG1  VAL   7          2HG1      VAL   7  -2.980  -4.324 -10.717
   71   3HG1  VAL   7          3HG1      VAL   7  -3.780  -3.401 -12.013
   72   1HG2  VAL   7          1HG2      VAL   7  -4.952  -4.050  -9.024
   73   2HG2  VAL   7          2HG2      VAL   7  -5.784  -2.476  -9.025
   74   3HG2  VAL   7          3HG2      VAL   7  -5.763  -3.473 -10.500
   75    HA   PRO   8           HA       PRO   8   0.735  -0.560  -9.185
   76   1HB   PRO   8          1HB       PRO   8   2.539  -2.459  -9.964
   77   2HB   PRO   8          2HB       PRO   8   2.187  -2.104  -8.285
   78   1HG   PRO   8          1HG       PRO   8   1.329  -4.420  -9.909
   79   2HG   PRO   8          2HG       PRO   8   1.355  -4.252  -8.165
   80   1HD   PRO   8          1HD       PRO   8  -0.947  -4.098  -9.869
   81   2HD   PRO   8          2HD       PRO   8  -0.902  -3.816  -8.140
   82    H    LEU   9           H        LEU   9  -1.049  -0.047 -11.033
   83    HA   LEU   9           HA       LEU   9   0.640  -0.009 -13.405
   84   1HB   LEU   9          1HB       LEU   9  -2.067  -1.276 -13.198
   85   2HB   LEU   9          2HB       LEU   9  -1.576  -0.506 -14.693
   86    HG   LEU   9           HG       LEU   9   0.238  -2.538 -13.431
   87   1HD1  LEU   9          1HD1      LEU   9  -2.320  -3.126 -14.923
   88   2HD1  LEU   9          2HD1      LEU   9  -0.959  -4.271 -14.864
   89   3HD1  LEU   9          3HD1      LEU   9  -1.766  -3.769 -13.359
   90   1HD2  LEU   9          1HD2      LEU   9   1.036  -1.232 -15.347
   91   2HD2  LEU   9          2HD2      LEU   9   0.884  -2.961 -15.744
   92   3HD2  LEU   9          3HD2      LEU   9  -0.344  -1.805 -16.314
   93    H    PHE  10           H        PHE  10  -2.395   1.041 -11.748
   94    HA   PHE  10           HA       PHE  10  -2.240   3.540 -13.248
   95   1HB   PHE  10          1HB       PHE  10  -4.289   2.035 -11.547
   96   2HB   PHE  10          2HB       PHE  10  -4.533   3.739 -11.872
   97    HD1  PHE  10           HD1      PHE  10  -4.423   0.391 -13.358
   98    HD2  PHE  10           HD2      PHE  10  -5.141   4.510 -14.082
   99    HE1  PHE  10           HE1      PHE  10  -5.489  -0.181 -15.557
  100    HE2  PHE  10           HE2      PHE  10  -6.206   3.938 -16.281
  101    HZ   PHE  10           HZ       PHE  10  -6.368   1.599 -16.993
  102    H    SER  11           H        SER  11  -1.784   5.505 -12.286
  103    HA   SER  11           HA       SER  11  -1.523   5.446  -9.386
  104   1HB   SER  11          1HB       SER  11   0.461   7.113  -9.836
  105   2HB   SER  11          2HB       SER  11   0.740   5.387  -9.965
  106    HG   SER  11           HG       SER  11   0.628   5.512 -12.234
  107    H    LYS  12           H        LYS  12  -1.880   7.547  -8.337
  108    HA   LYS  12           HA       LYS  12  -2.841   9.669 -10.075
  109   1HB   LYS  12          1HB       LYS  12  -4.747   8.046  -9.389
  110   2HB   LYS  12          2HB       LYS  12  -4.587   8.753  -7.794
  111   1HG   LYS  12          1HG       LYS  12  -4.621  10.828  -9.875
  112   2HG   LYS  12          2HG       LYS  12  -6.045   9.811  -9.973
  113   1HD   LYS  12          1HD       LYS  12  -6.627  10.254  -7.650
  114   2HD   LYS  12          2HD       LYS  12  -5.085  11.030  -7.347
  115   1HE   LYS  12          1HE       LYS  12  -5.684  12.825  -9.010
  116   2HE   LYS  12          2HE       LYS  12  -7.241  12.060  -9.254
  117   1HZ   LYS  12          1HZ       LYS  12  -7.685  12.376  -6.905
  118   2HZ   LYS  12          2HZ       LYS  12  -6.244  13.115  -6.699
  119   3HZ   LYS  12          3HZ       LYS  12  -7.388  13.803  -7.640
  120    H    THR  13           H        THR  13  -2.793  11.760  -9.059
  121    HA   THR  13           HA       THR  13  -0.895  11.821  -6.853
  122    HB   THR  13           HB       THR  13  -2.049  13.934  -8.747
  123    HG1  THR  13           HG1      THR  13   0.045  13.596  -9.688
  124   1HG2  THR  13          1HG2      THR  13  -0.991  14.522  -6.277
  125   2HG2  THR  13          2HG2      THR  13   0.500  14.375  -7.238
  126   3HG2  THR  13          3HG2      THR  13  -0.751  15.550  -7.709
  127    H    CYS  14           H        CYS  14  -1.328  12.371  -4.789
  128    HA   CYS  14           HA       CYS  14  -3.979  12.322  -3.934
  129   1HB   CYS  14          1HB       CYS  14  -1.685  13.469  -2.352
  130   2HB   CYS  14          2HB       CYS  14  -3.141  12.701  -1.752
  131    HA   PRO  15           HA       PRO  15  -4.946  16.528  -4.655
  132   1HB   PRO  15          1HB       PRO  15  -7.401  16.605  -3.456
  133   2HB   PRO  15          2HB       PRO  15  -7.150  16.023  -5.089
  134   1HG   PRO  15          1HG       PRO  15  -7.673  14.471  -2.628
  135   2HG   PRO  15          2HG       PRO  15  -7.841  13.969  -4.299
  136   1HD   PRO  15          1HD       PRO  15  -5.715  13.274  -2.503
  137   2HD   PRO  15          2HD       PRO  15  -5.825  12.869  -4.205
  138    H    ALA  16           H        ALA  16  -6.002  18.494  -3.342
  139    HA   ALA  16           HA       ALA  16  -4.088  19.078  -1.412
  140   1HB   ALA  16          1HB       ALA  16  -5.340  20.767  -2.677
  141   2HB   ALA  16          2HB       ALA  16  -6.855  20.257  -1.894
  142   3HB   ALA  16          3HB       ALA  16  -5.565  21.016  -0.929
  143    H    GLY  17           H        GLY  17  -3.926  18.682   0.760
  144   1HA   GLY  17          1HA       GLY  17  -5.053  18.480   2.879
  145   2HA   GLY  17          2HA       GLY  17  -6.304  17.538   2.093
  146    H    LYS  18           H        LYS  18  -4.656  15.858   0.419
  147    HA   LYS  18           HA       LYS  18  -3.371  14.255   2.515
  148   1HB   LYS  18          1HB       LYS  18  -4.587  13.317  -0.099
  149   2HB   LYS  18          2HB       LYS  18  -3.915  12.305   1.163
  150   1HG   LYS  18          1HG       LYS  18  -5.663  12.872   2.710
  151   2HG   LYS  18          2HG       LYS  18  -6.173  14.253   1.760
  152   1HD   LYS  18          1HD       LYS  18  -7.005  12.784  -0.032
  153   2HD   LYS  18          2HD       LYS  18  -6.361  11.369   0.776
  154   1HE   LYS  18          1HE       LYS  18  -7.886  11.775   2.716
  155   2HE   LYS  18          2HE       LYS  18  -8.523  13.202   1.922
  156   1HZ   LYS  18          1HZ       LYS  18  -8.673  10.466   0.860
  157   2HZ   LYS  18          2HZ       LYS  18  -9.906  11.294   1.538
  158   3HZ   LYS  18          3HZ       LYS  18  -9.267  11.796   0.121
  159    H    ASN  19           H        ASN  19  -1.219  13.820   2.368
  160    HA   ASN  19           HA       ASN  19   0.013  14.215  -0.222
  161   1HB   ASN  19          1HB       ASN  19   0.846  15.567   2.391
  162   2HB   ASN  19          2HB       ASN  19   1.953  15.399   1.043
  163   1HD2  ASN  19          2HD2      ASN  19   1.058  17.826   2.172
  164   2HD2  ASN  19          1HD2      ASN  19   0.174  18.718   0.978
  165    H    LEU  20           H        LEU  20  -0.756  11.909   1.613
  166    HA   LEU  20           HA       LEU  20   1.936  10.791   1.899
  167   1HB   LEU  20          1HB       LEU  20  -0.305  10.617   3.917
  168   2HB   LEU  20          2HB       LEU  20   1.147   9.637   3.958
  169    HG   LEU  20           HG       LEU  20   1.192  12.662   4.051
  170   1HD1  LEU  20          1HD1      LEU  20  -0.094  11.721   5.957
  171   2HD1  LEU  20          2HD1      LEU  20   1.338  10.764   6.408
  172   3HD1  LEU  20          3HD1      LEU  20   1.408  12.542   6.446
  173   1HD2  LEU  20          1HD2      LEU  20   3.265  10.513   4.474
  174   2HD2  LEU  20          2HD2      LEU  20   3.304  11.909   3.371
  175   3HD2  LEU  20          3HD2      LEU  20   3.459  12.157   5.127
  176    H    CYS  21           H        CYS  21   1.919   8.365   1.859
  177    HA   CYS  21           HA       CYS  21  -0.321   7.465   0.198
  178   1HB   CYS  21          1HB       CYS  21   2.433   6.249   0.165
  179   2HB   CYS  21          2HB       CYS  21   1.135   6.048  -0.995
  180    H    TYR  22           H        TYR  22  -1.655   6.127   1.366
  181    HA   TYR  22           HA       TYR  22  -0.519   4.721   3.655
  182   1HB   TYR  22          1HB       TYR  22  -2.773   4.814   4.409
  183   2HB   TYR  22          2HB       TYR  22  -2.765   6.210   3.349
  184    HD1  TYR  22           HD1      TYR  22  -3.419   2.516   3.228
  185    HD2  TYR  22           HD2      TYR  22  -4.424   6.395   1.727
  186    HE1  TYR  22           HE1      TYR  22  -5.319   1.507   1.873
  187    HE2  TYR  22           HE2      TYR  22  -6.321   5.373   0.377
  188    HH   TYR  22           HH       TYR  22  -7.422   3.583  -0.105
  189    H    LYS  23           H        LYS  23  -0.723   2.449   3.952
  190    HA   LYS  23           HA       LYS  23  -1.705   0.948   1.654
  191   1HB   LYS  23          1HB       LYS  23   0.677   1.255   1.214
  192   2HB   LYS  23          2HB       LYS  23   1.084   0.655   2.809
  193   1HG   LYS  23          1HG       LYS  23  -0.674  -1.150   1.210
  194   2HG   LYS  23          2HG       LYS  23   0.931  -0.915   0.546
  195   1HD   LYS  23          1HD       LYS  23   0.583  -1.552   3.494
  196   2HD   LYS  23          2HD       LYS  23   0.528  -2.839   2.306
  197   1HE   LYS  23          1HE       LYS  23   2.777  -2.172   1.457
  198   2HE   LYS  23          2HE       LYS  23   2.832  -0.853   2.609
  199   1HZ   LYS  23          1HZ       LYS  23   2.611  -3.694   3.329
  200   2HZ   LYS  23          2HZ       LYS  23   3.981  -2.807   3.402
  201   3HZ   LYS  23          3HZ       LYS  23   2.724  -2.451   4.382
  202    H    MET  24           H        MET  24  -2.811  -0.883   2.244
  203    HA   MET  24           HA       MET  24  -2.737  -1.462   5.103
  204   1HB   MET  24          1HB       MET  24  -4.915  -0.587   4.036
  205   2HB   MET  24          2HB       MET  24  -4.968  -2.056   3.082
  206   1HG   MET  24          1HG       MET  24  -4.670  -2.305   6.081
  207   2HG   MET  24          2HG       MET  24  -6.244  -1.890   5.433
  208   1HE   MET  24          1HE       MET  24  -7.801  -3.296   4.481
  209   2HE   MET  24          2HE       MET  24  -7.714  -5.074   4.474
  210   3HE   MET  24          3HE       MET  24  -7.593  -4.184   6.010
  211    H    PHE  25           H        PHE  25  -2.045  -3.469   5.742
  212    HA   PHE  25           HA       PHE  25  -2.245  -5.648   3.822
  213   1HB   PHE  25          1HB       PHE  25   0.151  -6.176   4.188
  214   2HB   PHE  25          2HB       PHE  25   0.034  -4.514   3.647
  215    HD1  PHE  25           HD1      PHE  25   0.107  -2.675   5.419
  216    HD2  PHE  25           HD2      PHE  25   1.193  -6.698   6.224
  217    HE1  PHE  25           HE1      PHE  25   1.381  -1.925   7.448
  218    HE2  PHE  25           HE2      PHE  25   2.468  -5.948   8.252
  219    HZ   PHE  25           HZ       PHE  25   2.546  -3.571   8.840
  220    H    MET  26           H        MET  26  -1.447  -7.785   4.989
  221    HA   MET  26           HA       MET  26  -2.780  -7.737   7.559
  222   1HB   MET  26          1HB       MET  26  -2.123  -9.823   5.454
  223   2HB   MET  26          2HB       MET  26  -2.388 -10.373   7.097
  224   1HG   MET  26          1HG       MET  26  -4.603 -10.400   6.516
  225   2HG   MET  26          2HG       MET  26  -4.538  -8.669   6.782
  226   1HE   MET  26          1HE       MET  26  -3.358 -11.260   4.043
  227   2HE   MET  26          2HE       MET  26  -5.097 -11.499   4.333
  228   3HE   MET  26          3HE       MET  26  -4.534 -10.877   2.763
  229    H    VAL  27           H        VAL  27  -1.747  -8.165   9.499
  230    HA   VAL  27           HA       VAL  27   1.066  -8.022   9.549
  231    HB   VAL  27           HB       VAL  27  -0.413  -7.134  11.284
  232   1HG1  VAL  27          1HG1      VAL  27  -1.576  -9.736  11.182
  233   2HG1  VAL  27          2HG1      VAL  27  -0.930  -9.491  12.822
  234   3HG1  VAL  27          3HG1      VAL  27  -2.090  -8.326  12.139
  235   1HG2  VAL  27          1HG2      VAL  27   1.945  -7.675  11.800
  236   2HG2  VAL  27          2HG2      VAL  27   0.886  -7.843  13.221
  237   3HG2  VAL  27          3HG2      VAL  27   1.440  -9.292  12.348
  238    H    ALA  28           H        ALA  28   1.433  -9.842   7.956
  239    HA   ALA  28           HA       ALA  28   2.247 -12.141   9.394
  240   1HB   ALA  28          1HB       ALA  28  -0.177 -12.351   7.569
  241   2HB   ALA  28          2HB       ALA  28   0.803 -13.748   8.074
  242   3HB   ALA  28          3HB       ALA  28  -0.073 -12.790   9.291
  243    H    ALA  29           H        ALA  29   1.393 -10.612   6.242
  244    HA   ALA  29           HA       ALA  29   3.920 -11.699   5.201
  245   1HB   ALA  29          1HB       ALA  29   1.281 -11.218   3.760
  246   2HB   ALA  29          2HB       ALA  29   2.802 -11.704   2.973
  247   3HB   ALA  29          3HB       ALA  29   2.012 -12.797   4.135
  248    HA   PRO  30           HA       PRO  30   4.125  -7.191   5.200
  249   1HB   PRO  30          1HB       PRO  30   6.600  -6.954   6.335
  250   2HB   PRO  30          2HB       PRO  30   5.112  -6.895   7.259
  251   1HG   PRO  30          1HG       PRO  30   7.080  -9.091   7.054
  252   2HG   PRO  30          2HG       PRO  30   5.840  -8.837   8.266
  253   1HD   PRO  30          1HD       PRO  30   5.757 -10.706   6.092
  254   2HD   PRO  30          2HD       PRO  30   4.472 -10.370   7.235
  255    H    HIS  31           H        HIS  31   4.159  -8.363   2.889
  256    HA   HIS  31           HA       HIS  31   6.463  -7.122   1.685
  257   1HB   HIS  31          1HB       HIS  31   7.368  -9.306   2.133
  258   2HB   HIS  31          2HB       HIS  31   5.944 -10.097   1.486
  259    HD1  HIS  31           HD1      HIS  31   8.424  -7.505   0.087
  260    HD2  HIS  31           HD2      HIS  31   6.490 -11.068  -0.993
  261    HE1  HIS  31           HE1      HIS  31   9.212  -8.059  -2.276
  262    H    VAL  32           H        VAL  32   3.480  -9.126   1.297
  263    HA   VAL  32           HA       VAL  32   2.999  -7.762  -1.244
  264    HB   VAL  32           HB       VAL  32   1.694 -10.179   0.025
  265   1HG1  VAL  32          1HG1      VAL  32   1.316  -8.911  -2.708
  266   2HG1  VAL  32          2HG1      VAL  32   0.696 -10.512  -2.239
  267   3HG1  VAL  32          3HG1      VAL  32   0.107  -9.051  -1.409
  268   1HG2  VAL  32          1HG2      VAL  32   3.743  -9.939  -2.202
  269   2HG2  VAL  32          2HG2      VAL  32   3.973 -10.685  -0.603
  270   3HG2  VAL  32          3HG2      VAL  32   2.870 -11.433  -1.784
  271    HA   PRO  33           HA       PRO  33   0.219  -5.267   1.035
  272   1HB   PRO  33          1HB       PRO  33  -0.340  -3.485  -0.960
  273   2HB   PRO  33          2HB       PRO  33   1.040  -3.326   0.108
  274   1HG   PRO  33          1HG       PRO  33   0.973  -4.198  -2.715
  275   2HG   PRO  33          2HG       PRO  33   2.338  -3.631  -1.774
  276   1HD   PRO  33          1HD       PRO  33   1.746  -6.349  -2.473
  277   2HD   PRO  33          2HD       PRO  33   3.045  -5.792  -1.436
  278    H    VAL  34           H        VAL  34  -2.071  -4.284   0.679
  279    HA   VAL  34           HA       VAL  34  -3.546  -6.317  -0.847
  280    HB   VAL  34           HB       VAL  34  -4.383  -5.028   1.757
  281   1HG1  VAL  34          1HG1      VAL  34  -6.200  -5.764   0.186
  282   2HG1  VAL  34          2HG1      VAL  34  -5.566  -7.422   0.316
  283   3HG1  VAL  34          3HG1      VAL  34  -6.203  -6.597   1.759
  284   1HG2  VAL  34          1HG2      VAL  34  -2.389  -6.576   1.943
  285   2HG2  VAL  34          2HG2      VAL  34  -3.818  -7.049   2.894
  286   3HG2  VAL  34          3HG2      VAL  34  -3.448  -7.885   1.367
  287    H    LYS  35           H        LYS  35  -3.711  -3.014   0.659
  288    HA   LYS  35           HA       LYS  35  -5.103  -2.159  -1.776
  289   1HB   LYS  35          1HB       LYS  35  -5.812  -1.296   1.043
  290   2HB   LYS  35          2HB       LYS  35  -6.569  -0.741  -0.436
  291   1HG   LYS  35          1HG       LYS  35  -7.755  -2.705  -0.739
  292   2HG   LYS  35          2HG       LYS  35  -6.475  -3.710  -0.090
  293   1HD   LYS  35          1HD       LYS  35  -7.127  -3.333   2.155
  294   2HD   LYS  35          2HD       LYS  35  -7.966  -1.844   1.771
  295   1HE   LYS  35          1HE       LYS  35  -9.678  -3.202   0.478
  296   2HE   LYS  35          2HE       LYS  35  -8.871  -4.663   1.013
  297   1HZ   LYS  35          1HZ       LYS  35  -9.791  -2.656   2.933
  298   2HZ   LYS  35          2HZ       LYS  35 -10.789  -3.825   2.381
  299   3HZ   LYS  35          3HZ       LYS  35  -9.436  -4.227   3.203
  300    H    ARG  36           H        ARG  36  -4.831   0.179  -2.244
  301    HA   ARG  36           HA       ARG  36  -2.711   1.439  -0.786
  302   1HB   ARG  36          1HB       ARG  36  -2.474   0.820  -3.775
  303   2HB   ARG  36          2HB       ARG  36  -1.397   1.895  -2.906
  304   1HG   ARG  36          1HG       ARG  36  -0.623   0.070  -1.466
  305   2HG   ARG  36          2HG       ARG  36  -1.835  -1.020  -2.112
  306   1HD   ARG  36          1HD       ARG  36  -0.690  -1.339  -4.122
  307   2HD   ARG  36          2HD       ARG  36   0.023   0.261  -4.102
  308    HE   ARG  36           HE       ARG  36   1.024  -1.354  -1.907
  309   1HH1  ARG  36          1HH1      ARG  36   1.368  -0.793  -5.364
  310   2HH1  ARG  36          2HH1      ARG  36   3.002  -1.366  -5.424
  311   1HH2  ARG  36          2HH2      ARG  36   3.180  -2.110  -1.986
  312   2HH2  ARG  36          1HH2      ARG  36   4.039  -2.120  -3.489
  313    H    GLY  37           H        GLY  37  -3.242   3.602  -0.592
  314   1HA   GLY  37          1HA       GLY  37  -4.546   4.977  -2.797
  315   2HA   GLY  37          2HA       GLY  37  -5.507   4.790  -1.344
  316    H    CYS  38           H        CYS  38  -5.304   7.292  -1.585
  317    HA   CYS  38           HA       CYS  38  -2.772   8.209  -0.466
  318   1HB   CYS  38          1HB       CYS  38  -4.988   9.572  -1.971
  319   2HB   CYS  38          2HB       CYS  38  -3.878  10.503  -0.985
  320    H    ILE  39           H        ILE  39  -2.993   9.939   1.305
  321    HA   ILE  39           HA       ILE  39  -5.444  10.067   2.735
  322    HB   ILE  39           HB       ILE  39  -4.454   7.750   3.246
  323   1HG1  ILE  39          1HG1      ILE  39  -4.949   9.334   5.744
  324   2HG1  ILE  39          2HG1      ILE  39  -6.213   9.247   4.533
  325   1HG2  ILE  39          1HG2      ILE  39  -2.133   8.486   3.567
  326   2HG2  ILE  39          2HG2      ILE  39  -2.635   9.442   4.982
  327   3HG2  ILE  39          3HG2      ILE  39  -2.779   7.668   5.010
  328   1HD1  ILE  39          1HD1      ILE  39  -4.809   6.823   5.749
  329   2HD1  ILE  39          2HD1      ILE  39  -6.412   7.428   6.231
  330   3HD1  ILE  39          3HD1      ILE  39  -6.161   6.779   4.592
  331    H    ASP  40           H        ASP  40  -5.151  11.420   4.768
  332    HA   ASP  40           HA       ASP  40  -2.963  13.265   4.244
  333   1HB   ASP  40          1HB       ASP  40  -4.404  14.868   5.627
  334   2HB   ASP  40          2HB       ASP  40  -5.063  14.404   4.071
  335    H    VAL  41           H        VAL  41  -5.029  11.886   6.918
  336    HA   VAL  41           HA       VAL  41  -2.749  12.226   8.731
  337    HB   VAL  41           HB       VAL  41  -4.988  13.328   9.185
  338   1HG1  VAL  41          1HG1      VAL  41  -6.324  11.302   8.463
  339   2HG1  VAL  41          2HG1      VAL  41  -5.844  10.535   9.996
  340   3HG1  VAL  41          3HG1      VAL  41  -6.811  12.030  10.013
  341   1HG2  VAL  41          1HG2      VAL  41  -3.842  11.413  11.245
  342   2HG2  VAL  41          2HG2      VAL  41  -3.295  13.075  10.916
  343   3HG2  VAL  41          3HG2      VAL  41  -4.913  12.790  11.601
  344    H    CYS  42           H        CYS  42  -1.629  10.451   9.358
  345    HA   CYS  42           HA       CYS  42  -2.385   7.928   8.334
  346   1HB   CYS  42          1HB       CYS  42  -0.033   8.825   8.738
  347   2HB   CYS  42          2HB       CYS  42  -0.281   8.454  10.433
  348    HA   PRO  43           HA       PRO  43  -4.940   7.016  11.802
  349   1HB   PRO  43          1HB       PRO  43  -5.938   4.641  10.890
  350   2HB   PRO  43          2HB       PRO  43  -6.629   6.195  10.469
  351   1HG   PRO  43          1HG       PRO  43  -4.964   4.399   8.815
  352   2HG   PRO  43          2HG       PRO  43  -6.000   5.716   8.303
  353   1HD   PRO  43          1HD       PRO  43  -3.138   5.756   8.490
  354   2HD   PRO  43          2HD       PRO  43  -4.181   7.106   8.090
  355    H    LYS  44           H        LYS  44  -5.404   4.996  13.270
  356    HA   LYS  44           HA       LYS  44  -2.764   4.238  14.127
  357   1HB   LYS  44          1HB       LYS  44  -4.770   4.960  15.591
  358   2HB   LYS  44          2HB       LYS  44  -5.371   3.333  15.347
  359   1HG   LYS  44          1HG       LYS  44  -3.537   2.337  16.471
  360   2HG   LYS  44          2HG       LYS  44  -2.501   3.730  16.230
  361   1HD   LYS  44          1HD       LYS  44  -3.872   5.056  17.826
  362   2HD   LYS  44          2HD       LYS  44  -4.967   3.704  18.034
  363   1HE   LYS  44          1HE       LYS  44  -3.087   2.318  18.936
  364   2HE   LYS  44          2HE       LYS  44  -1.988   3.666  18.722
  365   1HZ   LYS  44          1HZ       LYS  44  -3.346   4.938  20.242
  366   2HZ   LYS  44          2HZ       LYS  44  -4.371   3.682  20.442
  367   3HZ   LYS  44          3HZ       LYS  44  -2.825   3.564  20.955
  368    H    SER  45           H        SER  45  -2.398   1.853  14.772
  369    HA   SER  45           HA       SER  45  -3.348   0.253  12.530
  370   1HB   SER  45          1HB       SER  45  -0.745   0.340  14.055
  371   2HB   SER  45          2HB       SER  45  -1.234  -1.176  13.324
  372    HG   SER  45           HG       SER  45   0.071   0.065  11.862
  373    H    SER  46           H        SER  46  -3.761  -2.091  12.985
  374    HA   SER  46           HA       SER  46  -4.592  -2.421  15.761
  375   1HB   SER  46          1HB       SER  46  -6.438  -3.762  15.007
  376   2HB   SER  46          2HB       SER  46  -6.430  -2.321  14.011
  377    HG   SER  46           HG       SER  46  -4.987  -3.805  12.538
  378    H    LEU  47           H        LEU  47  -5.003  -5.111  15.969
  379    HA   LEU  47           HA       LEU  47  -2.316  -6.130  15.682
  380   1HB   LEU  47          1HB       LEU  47  -4.760  -7.352  16.971
  381   2HB   LEU  47          2HB       LEU  47  -3.119  -7.956  17.082
  382    HG   LEU  47           HG       LEU  47  -4.061  -5.278  18.146
  383   1HD1  LEU  47          1HD1      LEU  47  -5.065  -7.127  19.382
  384   2HD1  LEU  47          2HD1      LEU  47  -3.459  -7.853  19.627
  385   3HD1  LEU  47          3HD1      LEU  47  -3.849  -6.283  20.369
  386   1HD2  LEU  47          1HD2      LEU  47  -1.388  -6.687  18.274
  387   2HD2  LEU  47          2HD2      LEU  47  -1.761  -5.081  17.604
  388   3HD2  LEU  47          3HD2      LEU  47  -1.847  -5.354  19.360
  389    H    LEU  48           H        LEU  48  -5.369  -6.225  14.010
  390    HA   LEU  48           HA       LEU  48  -4.686  -8.718  12.680
  391   1HB   LEU  48          1HB       LEU  48  -6.951  -8.501  13.385
  392   2HB   LEU  48          2HB       LEU  48  -7.107  -6.923  12.639
  393    HG   LEU  48           HG       LEU  48  -6.851  -7.979  10.400
  394   1HD1  LEU  48          1HD1      LEU  48  -6.839 -10.547  12.003
  395   2HD1  LEU  48          2HD1      LEU  48  -7.145 -10.460  10.252
  396   3HD1  LEU  48          3HD1      LEU  48  -5.576  -9.936  10.908
  397   1HD2  LEU  48          1HD2      LEU  48  -9.064  -7.489  11.296
  398   2HD2  LEU  48          2HD2      LEU  48  -9.088  -8.981  10.326
  399   3HD2  LEU  48          3HD2      LEU  48  -9.106  -9.075  12.103
  400    H    VAL  49           H        VAL  49  -5.734  -5.401  11.612
  401    HA   VAL  49           HA       VAL  49  -4.055  -5.798   9.248
  402    HB   VAL  49           HB       VAL  49  -6.330  -5.335   8.740
  403   1HG1  VAL  49          1HG1      VAL  49  -6.070  -3.104  10.762
  404   2HG1  VAL  49          2HG1      VAL  49  -7.349  -3.106   9.524
  405   3HG1  VAL  49          3HG1      VAL  49  -7.253  -4.432  10.707
  406   1HG2  VAL  49          1HG2      VAL  49  -4.626  -4.199   7.352
  407   2HG2  VAL  49          2HG2      VAL  49  -6.153  -3.287   7.431
  408   3HG2  VAL  49          3HG2      VAL  49  -4.751  -2.763   8.396
  409    H    LYS  50           H        LYS  50  -2.684  -3.996   8.515
  410    HA   LYS  50           HA       LYS  50  -1.984  -2.150  10.677
  411   1HB   LYS  50          1HB       LYS  50  -0.168  -4.087   9.257
  412   2HB   LYS  50          2HB       LYS  50   0.461  -2.570   9.866
  413   1HG   LYS  50          1HG       LYS  50  -0.455  -3.120  12.142
  414   2HG   LYS  50          2HG       LYS  50  -1.043  -4.651  11.525
  415   1HD   LYS  50          1HD       LYS  50   1.028  -5.258  12.471
  416   2HD   LYS  50          2HD       LYS  50   1.436  -5.071  10.777
  417   1HE   LYS  50          1HE       LYS  50   2.230  -2.740  11.218
  418   2HE   LYS  50          2HE       LYS  50   1.808  -2.913  12.910
  419   1HZ   LYS  50          1HZ       LYS  50   3.766  -4.571  11.476
  420   2HZ   LYS  50          2HZ       LYS  50   4.120  -3.376  12.532
  421   3HZ   LYS  50          3HZ       LYS  50   3.373  -4.731  13.053
  422    H    TYR  51           H        TYR  51  -1.668  -0.063  10.004
  423    HA   TYR  51           HA       TYR  51  -1.723   0.338   7.089
  424   1HB   TYR  51          1HB       TYR  51  -2.749   1.902   9.534
  425   2HB   TYR  51          2HB       TYR  51  -2.720   2.611   7.932
  426    HD1  TYR  51           HD1      TYR  51  -4.214   1.736   6.144
  427    HD2  TYR  51           HD2      TYR  51  -4.428   0.282  10.161
  428    HE1  TYR  51           HE1      TYR  51  -6.500   0.732   5.666
  429    HE2  TYR  51           HE2      TYR  51  -6.714  -0.717   9.670
  430    HH   TYR  51           HH       TYR  51  -8.163  -0.398   6.438
  431    H    VAL  52           H        VAL  52   0.300   0.834   6.379
  432    HA   VAL  52           HA       VAL  52   1.941   2.516   8.134
  433    HB   VAL  52           HB       VAL  52   2.544   0.466   6.022
  434   1HG1  VAL  52          1HG1      VAL  52   4.383   2.662   7.015
  435   2HG1  VAL  52          2HG1      VAL  52   4.970   1.157   6.266
  436   3HG1  VAL  52          3HG1      VAL  52   3.941   2.272   5.335
  437   1HG2  VAL  52          1HG2      VAL  52   2.288  -0.124   8.473
  438   2HG2  VAL  52          2HG2      VAL  52   3.836  -0.587   7.727
  439   3HG2  VAL  52          3HG2      VAL  52   3.748   0.847   8.778
  440    H    CYS  53           H        CYS  53   2.490   4.567   7.513
  441    HA   CYS  53           HA       CYS  53   1.599   5.335   4.829
  442   1HB   CYS  53          1HB       CYS  53   1.909   7.211   7.170
  443   2HB   CYS  53          2HB       CYS  53   1.115   7.511   5.636
  444    H    CYS  54           H        CYS  54   3.042   6.729   3.609
  445    HA   CYS  54           HA       CYS  54   5.665   7.139   4.804
  446   1HB   CYS  54          1HB       CYS  54   6.595   6.460   2.474
  447   2HB   CYS  54          2HB       CYS  54   6.266   5.242   3.690
  448    H    ASN  55           H        ASN  55   6.704   9.043   3.982
  449    HA   ASN  55           HA       ASN  55   4.892  10.700   2.441
  450   1HB   ASN  55          1HB       ASN  55   6.308  12.595   3.261
  451   2HB   ASN  55          2HB       ASN  55   5.697  11.637   4.595
  452   1HD2  ASN  55          2HD2      ASN  55   7.974  13.348   4.592
  453   2HD2  ASN  55          1HD2      ASN  55   9.380  12.402   4.948
  454    H    THR  56           H        THR  56   6.152   8.735   0.903
  455    HA   THR  56           HA       THR  56   8.120  10.317  -0.594
  456    HB   THR  56           HB       THR  56   9.139   7.843  -0.938
  457    HG1  THR  56           HG1      THR  56   8.038   7.919   1.775
  458   1HG2  THR  56          1HG2      THR  56   9.516   9.508   1.608
  459   2HG2  THR  56          2HG2      THR  56  10.597   8.191   1.090
  460   3HG2  THR  56          3HG2      THR  56  10.458   9.667   0.106
  461    H    ASP  57           H        ASP  57   8.172   9.936  -2.859
  462    HA   ASP  57           HA       ASP  57   5.639   9.433  -3.887
  463   1HB   ASP  57          1HB       ASP  57   8.377   9.557  -5.231
  464   2HB   ASP  57          2HB       ASP  57   6.870   9.494  -6.122
  465    H    LYS  58           H        LYS  58   4.853   7.580  -5.090
  466    HA   LYS  58           HA       LYS  58   4.571   5.362  -5.226
  467   1HB   LYS  58          1HB       LYS  58   6.219   4.319  -6.777
  468   2HB   LYS  58          2HB       LYS  58   5.593   5.859  -7.331
  469   1HG   LYS  58          1HG       LYS  58   7.626   7.022  -6.597
  470   2HG   LYS  58          2HG       LYS  58   8.232   5.572  -5.822
  471   1HD   LYS  58          1HD       LYS  58   7.567   5.506  -8.778
  472   2HD   LYS  58          2HD       LYS  58   9.071   6.237  -8.254
  473   1HE   LYS  58          1HE       LYS  58   8.287   3.475  -7.262
  474   2HE   LYS  58          2HE       LYS  58   9.033   3.668  -8.836
  475   1HZ   LYS  58          1HZ       LYS  58  10.860   4.808  -7.754
  476   2HZ   LYS  58          2HZ       LYS  58  10.169   4.597  -6.290
  477   3HZ   LYS  58          3HZ       LYS  58  10.673   3.302  -7.149
  478    H    CYS  59           H        CYS  59   5.088   5.721  -2.650
  479    HA   CYS  59           HA       CYS  59   7.350   4.007  -1.990
  480   1HB   CYS  59          1HB       CYS  59   7.092   4.801   0.284
  481   2HB   CYS  59          2HB       CYS  59   7.272   6.137  -0.836
  482    H    ASN  60           H        ASN  60   3.782   4.434  -1.653
  483    HA   ASN  60           HA       ASN  60   3.511   2.018  -0.194
  484   1HB   ASN  60          1HB       ASN  60   1.088   2.462  -0.372
  485   2HB   ASN  60          2HB       ASN  60   1.917   3.953   0.029
  486   1HD2  ASN  60          2HD2      ASN  60  -0.609   3.881  -1.088
  487   2HD2  ASN  60          1HD2      ASN  60  -0.583   4.556  -2.683
  488   1H    HOH  61          1H        HOH  61   0.058  -8.197   3.210
  489   2H    HOH  61          2H        HOH  61  -1.214  -8.099   2.397
  490   1H    HOH  62          1H        HOH  62   7.375 -10.951   8.253
  491   2H    HOH  62          2H        HOH  62   6.825 -12.320   8.588
  Start of MODEL   10
    1    H    LEU   1           H        LEU   1   4.616  13.931  -5.671
    2    HA   LEU   1           HA       LEU   1   3.619  12.904  -3.956
    3   1HB   LEU   1          1HB       LEU   1   1.379  14.904  -4.295
    4   2HB   LEU   1          2HB       LEU   1   1.477  13.706  -3.020
    5    HG   LEU   1           HG       LEU   1   3.609  15.809  -3.438
    6   1HD1  LEU   1          1HD1      LEU   1   1.488  16.958  -3.090
    7   2HD1  LEU   1          2HD1      LEU   1   1.174  15.972  -1.641
    8   3HD1  LEU   1          3HD1      LEU   1   2.538  17.116  -1.661
    9   1HD2  LEU   1          1HD2      LEU   1   2.919  13.973  -1.132
   10   2HD2  LEU   1          2HD2      LEU   1   4.391  13.964  -2.133
   11   3HD2  LEU   1          3HD2      LEU   1   4.074  15.324  -1.029
   12    H    LYS   2           H        LYS   2   3.779  11.525  -6.109
   13    HA   LYS   2           HA       LYS   2   1.049  10.663  -6.769
   14   1HB   LYS   2          1HB       LYS   2   1.952   9.868  -8.896
   15   2HB   LYS   2          2HB       LYS   2   2.221  11.587  -8.693
   16   1HG   LYS   2          1HG       LYS   2   4.467  10.118  -7.561
   17   2HG   LYS   2          2HG       LYS   2   4.175   9.563  -9.197
   18   1HD   LYS   2          1HD       LYS   2   4.251  11.902 -10.032
   19   2HD   LYS   2          2HD       LYS   2   4.463  12.498  -8.398
   20   1HE   LYS   2          1HE       LYS   2   6.610  11.207  -8.215
   21   2HE   LYS   2          2HE       LYS   2   6.401  10.639  -9.860
   22   1HZ   LYS   2          1HZ       LYS   2   6.445  12.929 -10.591
   23   2HZ   LYS   2          2HZ       LYS   2   6.644  13.456  -9.058
   24   3HZ   LYS   2          3HZ       LYS   2   7.810  12.563  -9.772
   25    H    CYS   3           H        CYS   3   0.469   8.549  -6.389
   26    HA   CYS   3           HA       CYS   3   2.610   6.739  -5.594
   27   1HB   CYS   3          1HB       CYS   3   0.351   7.675  -3.902
   28   2HB   CYS   3          2HB       CYS   3   0.730   5.965  -3.841
   29    H    LYS   4           H        LYS   4   1.403   4.409  -5.275
   30    HA   LYS   4           HA       LYS   4  -0.092   4.066  -7.746
   31   1HB   LYS   4          1HB       LYS   4   1.202   2.042  -5.895
   32   2HB   LYS   4          2HB       LYS   4   0.407   1.668  -7.410
   33   1HG   LYS   4          1HG       LYS   4   2.042   3.356  -8.511
   34   2HG   LYS   4          2HG       LYS   4   2.929   3.326  -7.001
   35   1HD   LYS   4          1HD       LYS   4   4.034   1.625  -8.145
   36   2HD   LYS   4          2HD       LYS   4   2.810   0.683  -7.317
   37   1HE   LYS   4          1HE       LYS   4   2.590  -0.104  -9.519
   38   2HE   LYS   4          2HE       LYS   4   1.345   1.128  -9.466
   39   1HZ   LYS   4          1HZ       LYS   4   4.070   1.523 -10.492
   40   2HZ   LYS   4          2HZ       LYS   4   2.726   1.351 -11.403
   41   3HZ   LYS   4          3HZ       LYS   4   2.904   2.665 -10.450
   42    H    LYS   5           H        LYS   5  -2.093   2.838  -7.811
   43    HA   LYS   5           HA       LYS   5  -3.676   3.371  -5.437
   44   1HB   LYS   5          1HB       LYS   5  -4.474   2.493  -8.229
   45   2HB   LYS   5          2HB       LYS   5  -5.587   2.867  -6.929
   46   1HG   LYS   5          1HG       LYS   5  -4.013   5.128  -6.900
   47   2HG   LYS   5          2HG       LYS   5  -3.933   4.709  -8.599
   48   1HD   LYS   5          1HD       LYS   5  -5.904   5.873  -8.733
   49   2HD   LYS   5          2HD       LYS   5  -6.617   4.372  -8.173
   50   1HE   LYS   5          1HE       LYS   5  -5.679   6.608  -6.313
   51   2HE   LYS   5          2HE       LYS   5  -7.335   6.419  -6.854
   52   1HZ   LYS   5          1HZ       LYS   5  -7.239   4.155  -5.899
   53   2HZ   LYS   5          2HZ       LYS   5  -5.784   4.513  -5.250
   54   3HZ   LYS   5          3HZ       LYS   5  -7.110   5.346  -4.789
   55    H    LEU   6           H        LEU   6  -5.631   1.396  -5.586
   56    HA   LEU   6           HA       LEU   6  -4.545  -0.626  -4.103
   57   1HB   LEU   6          1HB       LEU   6  -7.056  -0.305  -5.691
   58   2HB   LEU   6          2HB       LEU   6  -6.680  -1.875  -5.011
   59    HG   LEU   6           HG       LEU   6  -6.340  -0.467  -2.786
   60   1HD1  LEU   6          1HD1      LEU   6  -8.211   1.267  -4.420
   61   2HD1  LEU   6          2HD1      LEU   6  -8.012   1.369  -2.654
   62   3HD1  LEU   6          3HD1      LEU   6  -6.637   1.726  -3.727
   63   1HD2  LEU   6          1HD2      LEU   6  -9.042  -1.246  -3.915
   64   2HD2  LEU   6          2HD2      LEU   6  -7.908  -2.302  -3.039
   65   3HD2  LEU   6          3HD2      LEU   6  -8.685  -0.938  -2.199
   66    H    VAL   7           H        VAL   7  -4.953  -0.386  -7.667
   67    HA   VAL   7           HA       VAL   7  -3.637  -2.986  -7.918
   68    HB   VAL   7           HB       VAL   7  -5.045  -1.258  -9.964
   69   1HG1  VAL   7          1HG1      VAL   7  -3.276  -2.772 -10.875
   70   2HG1  VAL   7          2HG1      VAL   7  -4.160  -4.153 -10.184
   71   3HG1  VAL   7          3HG1      VAL   7  -4.917  -3.156 -11.449
   72   1HG2  VAL   7          1HG2      VAL   7  -5.990  -3.685  -8.405
   73   2HG2  VAL   7          2HG2      VAL   7  -6.654  -2.034  -8.349
   74   3HG2  VAL   7          3HG2      VAL   7  -6.828  -3.013  -9.825
   75    HA   PRO   8           HA       PRO   8   0.028  -0.864  -8.886
   76   1HB   PRO   8          1HB       PRO   8   1.572  -3.018  -9.552
   77   2HB   PRO   8          2HB       PRO   8   1.315  -2.498  -7.898
   78   1HG   PRO   8          1HG       PRO   8   0.142  -4.811  -9.318
   79   2HG   PRO   8          2HG       PRO   8   0.241  -4.517  -7.594
   80   1HD   PRO   8          1HD       PRO   8  -2.078  -4.217  -9.256
   81   2HD   PRO   8          2HD       PRO   8  -1.948  -3.813  -7.555
   82    H    LEU   9           H        LEU   9  -1.660  -0.188 -10.715
   83    HA   LEU   9           HA       LEU   9  -0.077  -0.567 -13.121
   84   1HB   LEU   9          1HB       LEU   9  -2.905  -1.483 -12.761
   85   2HB   LEU   9          2HB       LEU   9  -2.388  -0.863 -14.317
   86    HG   LEU   9           HG       LEU   9  -0.785  -3.024 -12.979
   87   1HD1  LEU   9          1HD1      LEU   9  -3.404  -3.397 -14.444
   88   2HD1  LEU   9          2HD1      LEU   9  -2.196  -4.690 -14.246
   89   3HD1  LEU   9          3HD1      LEU   9  -2.958  -3.957 -12.814
   90   1HD2  LEU   9          1HD2      LEU   9   0.128  -1.932 -14.971
   91   2HD2  LEU   9          2HD2      LEU   9  -0.255  -3.642 -15.282
   92   3HD2  LEU   9          3HD2      LEU   9  -1.336  -2.364 -15.886
   93    H    PHE  10           H        PHE  10  -2.922   0.966 -11.499
   94    HA   PHE  10           HA       PHE  10  -2.490   3.318 -13.173
   95   1HB   PHE  10          1HB       PHE  10  -4.679   2.150 -11.398
   96   2HB   PHE  10          2HB       PHE  10  -4.709   3.871 -11.726
   97    HD1  PHE  10           HD1      PHE  10  -4.980   0.532 -13.240
   98    HD2  PHE  10           HD2      PHE  10  -5.333   4.711 -13.886
   99    HE1  PHE  10           HE1      PHE  10  -6.153   0.097 -15.416
  100    HE2  PHE  10           HE2      PHE  10  -6.506   4.276 -16.062
  101    HZ   PHE  10           HZ       PHE  10  -6.902   1.974 -16.801
  102    H    SER  11           H        SER  11  -1.905   5.327 -12.331
  103    HA   SER  11           HA       SER  11  -1.371   5.315  -9.463
  104   1HB   SER  11          1HB       SER  11   0.496   7.029 -10.170
  105   2HB   SER  11          2HB       SER  11   0.796   5.310 -10.335
  106    HG   SER  11           HG       SER  11   0.005   7.160 -12.415
  107    H    LYS  12           H        LYS  12  -1.633   7.409  -8.371
  108    HA   LYS  12           HA       LYS  12  -2.817   9.532  -9.949
  109   1HB   LYS  12          1HB       LYS  12  -4.327   7.879  -7.951
  110   2HB   LYS  12          2HB       LYS  12  -4.675   9.592  -8.073
  111   1HG   LYS  12          1HG       LYS  12  -4.835   9.173 -10.655
  112   2HG   LYS  12          2HG       LYS  12  -4.921   7.473 -10.241
  113   1HD   LYS  12          1HD       LYS  12  -6.864   8.038  -8.677
  114   2HD   LYS  12          2HD       LYS  12  -6.832   9.668  -9.320
  115   1HE   LYS  12          1HE       LYS  12  -7.211   8.765 -11.627
  116   2HE   LYS  12          2HE       LYS  12  -7.244   7.136 -10.983
  117   1HZ   LYS  12          1HZ       LYS  12  -9.133   7.769  -9.638
  118   2HZ   LYS  12          2HZ       LYS  12  -9.103   9.288 -10.239
  119   3HZ   LYS  12          3HZ       LYS  12  -9.446   8.028 -11.220
  120    H    THR  13           H        THR  13  -2.747  11.595  -8.861
  121    HA   THR  13           HA       THR  13  -0.758  11.585  -6.705
  122    HB   THR  13           HB       THR  13  -1.697  13.738  -8.673
  123    HG1  THR  13           HG1      THR  13  -0.390  12.030  -9.595
  124   1HG2  THR  13          1HG2      THR  13  -0.559  14.290  -6.251
  125   2HG2  THR  13          2HG2      THR  13   0.906  13.891  -7.180
  126   3HG2  THR  13          3HG2      THR  13  -0.162  15.207  -7.724
  127    H    CYS  14           H        CYS  14  -1.292  12.024  -4.661
  128    HA   CYS  14           HA       CYS  14  -3.903  12.291  -3.870
  129   1HB   CYS  14          1HB       CYS  14  -1.596  13.401  -2.283
  130   2HB   CYS  14          2HB       CYS  14  -3.091  12.701  -1.694
  131    HA   PRO  15           HA       PRO  15  -4.461  16.511  -5.009
  132   1HB   PRO  15          1HB       PRO  15  -7.145  16.654  -4.512
  133   2HB   PRO  15          2HB       PRO  15  -6.480  16.078  -6.028
  134   1HG   PRO  15          1HG       PRO  15  -7.688  14.522  -3.824
  135   2HG   PRO  15          2HG       PRO  15  -7.414  14.040  -5.486
  136   1HD   PRO  15          1HD       PRO  15  -5.869  13.263  -3.198
  137   2HD   PRO  15          2HD       PRO  15  -5.528  12.877  -4.873
  138    H    ALA  16           H        ALA  16  -5.872  18.464  -3.973
  139    HA   ALA  16           HA       ALA  16  -4.488  19.123  -1.695
  140   1HB   ALA  16          1HB       ALA  16  -7.235  20.032  -2.644
  141   2HB   ALA  16          2HB       ALA  16  -6.236  20.876  -1.437
  142   3HB   ALA  16          3HB       ALA  16  -5.668  20.731  -3.117
  143    H    GLY  17           H        GLY  17  -4.665  18.666   0.464
  144   1HA   GLY  17          1HA       GLY  17  -6.145  18.275   2.336
  145   2HA   GLY  17          2HA       GLY  17  -7.089  17.202   1.321
  146    H    LYS  18           H        LYS  18  -5.001  15.767  -0.015
  147    HA   LYS  18           HA       LYS  18  -3.836  14.349   2.278
  148   1HB   LYS  18          1HB       LYS  18  -4.709  13.259  -0.415
  149   2HB   LYS  18          2HB       LYS  18  -3.933  12.330   0.852
  150   1HG   LYS  18          1HG       LYS  18  -6.079  11.888   1.524
  151   2HG   LYS  18          2HG       LYS  18  -5.974  13.461   2.291
  152   1HD   LYS  18          1HD       LYS  18  -6.973  14.534   0.284
  153   2HD   LYS  18          2HD       LYS  18  -7.018  12.990  -0.543
  154   1HE   LYS  18          1HE       LYS  18  -9.235  13.381   0.351
  155   2HE   LYS  18          2HE       LYS  18  -8.514  12.104   1.310
  156   1HZ   LYS  18          1HZ       LYS  18  -8.377  14.921   2.108
  157   2HZ   LYS  18          2HZ       LYS  18  -9.597  13.937   2.566
  158   3HZ   LYS  18          3HZ       LYS  18  -8.065  13.607   3.026
  159    H    ASN  19           H        ASN  19  -1.642  14.086   2.365
  160    HA   ASN  19           HA       ASN  19  -0.183  14.699  -0.066
  161   1HB   ASN  19          1HB       ASN  19   0.270  15.934   2.695
  162   2HB   ASN  19          2HB       ASN  19   1.503  15.959   1.450
  163   1HD2  ASN  19          2HD2      ASN  19   1.600  17.755   0.362
  164   2HD2  ASN  19          1HD2      ASN  19   0.292  18.810  -0.058
  165    H    LEU  20           H        LEU  20  -0.982  12.353   1.913
  166    HA   LEU  20           HA       LEU  20   1.751  11.324   2.172
  167   1HB   LEU  20          1HB       LEU  20  -0.463  11.225   4.218
  168   2HB   LEU  20          2HB       LEU  20   0.927  10.158   4.259
  169    HG   LEU  20           HG       LEU  20   1.142  13.178   4.306
  170   1HD1  LEU  20          1HD1      LEU  20  -0.120  12.421   6.259
  171   2HD1  LEU  20          2HD1      LEU  20   1.168  11.255   6.650
  172   3HD1  LEU  20          3HD1      LEU  20   1.498  13.003   6.718
  173   1HD2  LEU  20          1HD2      LEU  20   3.122  10.938   4.743
  174   2HD2  LEU  20          2HD2      LEU  20   3.184  12.264   3.557
  175   3HD2  LEU  20          3HD2      LEU  20   3.413  12.607   5.288
  176    H    CYS  21           H        CYS  21   1.816   8.897   2.203
  177    HA   CYS  21           HA       CYS  21  -0.396   7.880   0.571
  178   1HB   CYS  21          1HB       CYS  21   2.530   7.116   0.553
  179   2HB   CYS  21          2HB       CYS  21   1.278   6.241  -0.306
  180    H    TYR  22           H        TYR  22  -1.499   6.097   1.387
  181    HA   TYR  22           HA       TYR  22  -0.402   4.942   3.860
  182   1HB   TYR  22          1HB       TYR  22  -2.667   4.919   4.585
  183   2HB   TYR  22          2HB       TYR  22  -2.719   6.309   3.520
  184    HD1  TYR  22           HD1      TYR  22  -3.159   2.583   3.385
  185    HD2  TYR  22           HD2      TYR  22  -4.382   6.403   1.897
  186    HE1  TYR  22           HE1      TYR  22  -4.986   1.471   2.011
  187    HE2  TYR  22           HE2      TYR  22  -6.205   5.279   0.528
  188    HH   TYR  22           HH       TYR  22  -6.568   1.742   0.570
  189    H    LYS  23           H        LYS  23  -0.468   2.667   4.159
  190    HA   LYS  23           HA       LYS  23  -1.326   1.112   1.843
  191   1HB   LYS  23          1HB       LYS  23   0.718  -0.075   1.661
  192   2HB   LYS  23          2HB       LYS  23   1.126   1.628   1.638
  193   1HG   LYS  23          1HG       LYS  23   1.283   1.187   4.324
  194   2HG   LYS  23          2HG       LYS  23   1.661  -0.428   3.758
  195   1HD   LYS  23          1HD       LYS  23   3.070   2.071   2.714
  196   2HD   LYS  23          2HD       LYS  23   3.670   1.133   4.068
  197   1HE   LYS  23          1HE       LYS  23   3.779  -0.901   2.609
  198   2HE   LYS  23          2HE       LYS  23   3.182   0.038   1.255
  199   1HZ   LYS  23          1HZ       LYS  23   5.120   1.471   1.509
  200   2HZ   LYS  23          2HZ       LYS  23   5.687   0.524   2.712
  201   3HZ   LYS  23          3HZ       LYS  23   5.547  -0.074   1.199
  202    H    MET  24           H        MET  24  -2.206  -0.892   2.372
  203    HA   MET  24           HA       MET  24  -2.287  -1.405   5.246
  204   1HB   MET  24          1HB       MET  24  -4.444  -0.697   3.871
  205   2HB   MET  24          2HB       MET  24  -4.389  -2.328   3.234
  206   1HG   MET  24          1HG       MET  24  -4.126  -2.900   5.888
  207   2HG   MET  24          2HG       MET  24  -5.015  -1.396   6.019
  208   1HE   MET  24          1HE       MET  24  -5.166  -5.079   5.541
  209   2HE   MET  24          2HE       MET  24  -6.478  -5.393   4.380
  210   3HE   MET  24          3HE       MET  24  -4.940  -4.695   3.818
  211    H    PHE  25           H        PHE  25  -1.549  -3.380   5.947
  212    HA   PHE  25           HA       PHE  25  -1.271  -5.468   3.905
  213   1HB   PHE  25          1HB       PHE  25   0.642  -4.312   5.987
  214   2HB   PHE  25          2HB       PHE  25   0.835  -5.985   5.503
  215    HD1  PHE  25           HD1      PHE  25   0.380  -2.647   3.879
  216    HD2  PHE  25           HD2      PHE  25   2.341  -6.410   3.818
  217    HE1  PHE  25           HE1      PHE  25   1.720  -1.916   1.886
  218    HE2  PHE  25           HE2      PHE  25   3.681  -5.679   1.825
  219    HZ   PHE  25           HZ       PHE  25   3.354  -3.441   0.883
  220    H    MET  26           H        MET  26  -1.263  -7.687   4.768
  221    HA   MET  26           HA       MET  26  -2.871  -7.787   7.182
  222   1HB   MET  26          1HB       MET  26  -2.521  -9.474   4.705
  223   2HB   MET  26          2HB       MET  26  -2.922 -10.340   6.175
  224   1HG   MET  26          1HG       MET  26  -5.091  -9.830   5.645
  225   2HG   MET  26          2HG       MET  26  -4.724  -8.251   6.310
  226   1HE   MET  26          1HE       MET  26  -5.791 -10.257   3.326
  227   2HE   MET  26          2HE       MET  26  -5.129  -9.415   1.904
  228   3HE   MET  26          3HE       MET  26  -4.043 -10.313   2.992
  229    H    VAL  27           H        VAL  27  -2.214  -8.877   9.041
  230    HA   VAL  27           HA       VAL  27   0.546  -9.341   9.346
  231    HB   VAL  27           HB       VAL  27  -1.883  -9.954  11.029
  232   1HG1  VAL  27          1HG1      VAL  27   0.993 -10.646  11.462
  233   2HG1  VAL  27          2HG1      VAL  27   0.055 -10.058  12.856
  234   3HG1  VAL  27          3HG1      VAL  27  -0.482 -11.504  11.967
  235   1HG2  VAL  27          1HG2      VAL  27  -1.327  -7.565  10.654
  236   2HG2  VAL  27          2HG2      VAL  27  -1.156  -8.052  12.357
  237   3HG2  VAL  27          3HG2      VAL  27   0.290  -7.856  11.338
  238    H    ALA  28           H        ALA  28   0.804 -10.798   7.411
  239    HA   ALA  28           HA       ALA  28   0.988 -13.475   8.299
  240   1HB   ALA  28          1HB       ALA  28  -1.198 -12.764   6.309
  241   2HB   ALA  28          2HB       ALA  28  -0.546 -14.409   6.505
  242   3HB   ALA  28          3HB       ALA  28  -1.374 -13.612   7.864
  243    H    ALA  29           H        ALA  29   0.818 -11.146   5.551
  244    HA   ALA  29           HA       ALA  29   3.264 -12.412   4.526
  245   1HB   ALA  29          1HB       ALA  29   0.893 -11.319   2.958
  246   2HB   ALA  29          2HB       ALA  29   2.428 -11.866   2.242
  247   3HB   ALA  29          3HB       ALA  29   1.378 -13.026   3.092
  248    HA   PRO  30           HA       PRO  30   3.936  -8.023   5.411
  249   1HB   PRO  30          1HB       PRO  30   6.167  -8.299   6.964
  250   2HB   PRO  30          2HB       PRO  30   4.549  -8.178   7.625
  251   1HG   PRO  30          1HG       PRO  30   6.273 -10.566   7.372
  252   2HG   PRO  30          2HG       PRO  30   4.865 -10.331   8.388
  253   1HD   PRO  30          1HD       PRO  30   4.986 -11.821   5.940
  254   2HD   PRO  30          2HD       PRO  30   3.555 -11.489   6.895
  255    H    HIS  31           H        HIS  31   4.266  -8.799   2.971
  256    HA   HIS  31           HA       HIS  31   6.866  -7.714   2.393
  257   1HB   HIS  31          1HB       HIS  31   7.463 -10.033   2.618
  258   2HB   HIS  31          2HB       HIS  31   6.112 -10.543   1.624
  259    HD1  HIS  31           HD1      HIS  31   9.079  -8.142   1.121
  260    HD2  HIS  31           HD2      HIS  31   6.967 -11.163  -0.880
  261    HE1  HIS  31           HE1      HIS  31  10.218  -8.430  -1.144
  262    H    VAL  32           H        VAL  32   3.824  -9.250   1.191
  263    HA   VAL  32           HA       VAL  32   3.957  -7.489  -1.140
  264    HB   VAL  32           HB       VAL  32   2.159  -9.845  -0.533
  265   1HG1  VAL  32          1HG1      VAL  32   1.205  -8.174  -2.109
  266   2HG1  VAL  32          2HG1      VAL  32   2.630  -8.386  -3.154
  267   3HG1  VAL  32          3HG1      VAL  32   1.523  -9.751  -2.872
  268   1HG2  VAL  32          1HG2      VAL  32   4.704  -9.647  -2.173
  269   2HG2  VAL  32          2HG2      VAL  32   4.416 -10.646  -0.728
  270   3HG2  VAL  32          3HG2      VAL  32   3.570 -11.017  -2.250
  271    HA   PRO  33           HA       PRO  33   0.983  -4.960   0.755
  272   1HB   PRO  33          1HB       PRO  33   0.450  -3.301  -1.351
  273   2HB   PRO  33          2HB       PRO  33   1.822  -3.084  -0.283
  274   1HG   PRO  33          1HG       PRO  33   1.771  -4.128  -3.048
  275   2HG   PRO  33          2HG       PRO  33   3.132  -3.511  -2.133
  276   1HD   PRO  33          1HD       PRO  33   2.531  -6.264  -2.668
  277   2HD   PRO  33          2HD       PRO  33   3.824  -5.652  -1.657
  278    H    VAL  34           H        VAL  34  -1.273  -4.424   0.853
  279    HA   VAL  34           HA       VAL  34  -2.758  -6.343  -0.801
  280    HB   VAL  34           HB       VAL  34  -3.490  -5.113   1.863
  281   1HG1  VAL  34          1HG1      VAL  34  -5.359  -5.844   0.291
  282   2HG1  VAL  34          2HG1      VAL  34  -4.757  -7.505   0.507
  283   3HG1  VAL  34          3HG1      VAL  34  -5.349  -6.584   1.910
  284   1HG2  VAL  34          1HG2      VAL  34  -1.484  -6.826   1.651
  285   2HG2  VAL  34          2HG2      VAL  34  -2.675  -6.960   2.967
  286   3HG2  VAL  34          3HG2      VAL  34  -2.805  -8.013   1.538
  287    H    LYS  35           H        LYS  35  -3.211  -3.145   0.879
  288    HA   LYS  35           HA       LYS  35  -4.646  -2.284  -1.536
  289   1HB   LYS  35          1HB       LYS  35  -5.273  -1.676   1.367
  290   2HB   LYS  35          2HB       LYS  35  -6.004  -0.842   0.010
  291   1HG   LYS  35          1HG       LYS  35  -7.345  -2.626  -0.540
  292   2HG   LYS  35          2HG       LYS  35  -6.088  -3.804  -0.222
  293   1HD   LYS  35          1HD       LYS  35  -6.490  -3.708   2.180
  294   2HD   LYS  35          2HD       LYS  35  -7.548  -2.322   2.008
  295   1HE   LYS  35          1HE       LYS  35  -9.137  -3.733   0.651
  296   2HE   LYS  35          2HE       LYS  35  -8.093  -5.118   0.900
  297   1HZ   LYS  35          1HZ       LYS  35  -9.356  -3.570   3.056
  298   2HZ   LYS  35          2HZ       LYS  35  -9.882  -5.014   2.503
  299   3HZ   LYS  35          3HZ       LYS  35  -8.435  -4.904   3.253
  300    H    ARG  36           H        ARG  36  -4.525   0.093  -1.943
  301    HA   ARG  36           HA       ARG  36  -2.422   1.444  -0.568
  302   1HB   ARG  36          1HB       ARG  36  -2.157   1.132  -3.591
  303   2HB   ARG  36          2HB       ARG  36  -0.978   1.800  -2.480
  304   1HG   ARG  36          1HG       ARG  36  -0.651  -0.419  -1.432
  305   2HG   ARG  36          2HG       ARG  36  -1.909  -1.110  -2.439
  306   1HD   ARG  36          1HD       ARG  36  -0.279   0.017  -4.363
  307   2HD   ARG  36          2HD       ARG  36   0.905  -0.402  -3.141
  308    HE   ARG  36           HE       ARG  36   0.421  -2.707  -3.452
  309   1HH1  ARG  36          1HH1      ARG  36  -1.792  -0.693  -5.305
  310   2HH1  ARG  36          2HH1      ARG  36  -2.398  -2.009  -6.254
  311   1HH2  ARG  36          1HH2      ARG  36  -0.378  -4.443  -4.704
  312   2HH2  ARG  36          2HH2      ARG  36  -1.588  -4.157  -5.910
  313    H    GLY  37           H        GLY  37  -2.964   3.620  -0.458
  314   1HA   GLY  37          1HA       GLY  37  -4.381   4.898  -2.634
  315   2HA   GLY  37          2HA       GLY  37  -5.334   4.673  -1.181
  316    H    CYS  38           H        CYS  38  -5.239   7.186  -1.458
  317    HA   CYS  38           HA       CYS  38  -2.765   8.214  -0.301
  318   1HB   CYS  38          1HB       CYS  38  -4.987   9.482  -1.883
  319   2HB   CYS  38          2HB       CYS  38  -3.917  10.459  -0.897
  320    H    ILE  39           H        ILE  39  -3.137  10.023   1.397
  321    HA   ILE  39           HA       ILE  39  -5.630  10.004   2.776
  322    HB   ILE  39           HB       ILE  39  -4.422   7.818   3.407
  323   1HG1  ILE  39          1HG1      ILE  39  -5.115   9.412   5.841
  324   2HG1  ILE  39          2HG1      ILE  39  -6.340   9.235   4.600
  325   1HG2  ILE  39          1HG2      ILE  39  -2.198   8.844   3.739
  326   2HG2  ILE  39          2HG2      ILE  39  -2.843   9.744   5.133
  327   3HG2  ILE  39          3HG2      ILE  39  -2.778   7.966   5.175
  328   1HD1  ILE  39          1HD1      ILE  39  -4.817   6.917   5.880
  329   2HD1  ILE  39          2HD1      ILE  39  -6.471   7.419   6.306
  330   3HD1  ILE  39          3HD1      ILE  39  -6.126   6.773   4.683
  331    H    ASP  40           H        ASP  40  -5.453  11.433   4.801
  332    HA   ASP  40           HA       ASP  40  -3.523  13.507   4.152
  333   1HB   ASP  40          1HB       ASP  40  -5.081  14.919   5.647
  334   2HB   ASP  40          2HB       ASP  40  -5.723  14.413   4.097
  335    H    VAL  41           H        VAL  41  -5.241  11.936   6.964
  336    HA   VAL  41           HA       VAL  41  -2.893  12.555   8.614
  337    HB   VAL  41           HB       VAL  41  -5.193  13.473   9.189
  338   1HG1  VAL  41          1HG1      VAL  41  -6.425  11.363   8.643
  339   2HG1  VAL  41          2HG1      VAL  41  -5.703  10.620  10.090
  340   3HG1  VAL  41          3HG1      VAL  41  -6.791  12.018  10.257
  341   1HG2  VAL  41          1HG2      VAL  41  -3.348  13.432  10.790
  342   2HG2  VAL  41          2HG2      VAL  41  -4.888  13.064  11.604
  343   3HG2  VAL  41          3HG2      VAL  41  -3.744  11.753  11.230
  344    H    CYS  42           H        CYS  42  -1.754  10.903   9.605
  345    HA   CYS  42           HA       CYS  42  -2.162   8.312   8.513
  346   1HB   CYS  42          1HB       CYS  42   0.056   9.436   9.089
  347   2HB   CYS  42          2HB       CYS  42  -0.289   9.044  10.762
  348    HA   PRO  43           HA       PRO  43  -4.908   7.261  11.806
  349   1HB   PRO  43          1HB       PRO  43  -5.776   4.884  10.774
  350   2HB   PRO  43          2HB       PRO  43  -6.500   6.427  10.367
  351   1HG   PRO  43          1HG       PRO  43  -4.695   4.740   8.744
  352   2HG   PRO  43          2HG       PRO  43  -5.750   6.038   8.221
  353   1HD   PRO  43          1HD       PRO  43  -2.903   6.167   8.551
  354   2HD   PRO  43          2HD       PRO  43  -3.972   7.494   8.140
  355    H    LYS  44           H        LYS  44  -5.404   5.033  13.059
  356    HA   LYS  44           HA       LYS  44  -2.755   4.354  14.030
  357   1HB   LYS  44          1HB       LYS  44  -4.819   5.043  15.456
  358   2HB   LYS  44          2HB       LYS  44  -5.364   3.398  15.198
  359   1HG   LYS  44          1HG       LYS  44  -3.544   2.459  16.373
  360   2HG   LYS  44          2HG       LYS  44  -2.517   3.855  16.112
  361   1HD   LYS  44          1HD       LYS  44  -3.192   3.881  18.441
  362   2HD   LYS  44          2HD       LYS  44  -4.030   5.196  17.640
  363   1HE   LYS  44          1HE       LYS  44  -6.084   3.837  17.454
  364   2HE   LYS  44          2HE       LYS  44  -5.258   2.437  18.109
  365   1HZ   LYS  44          1HZ       LYS  44  -5.672   4.972  19.538
  366   2HZ   LYS  44          2HZ       LYS  44  -6.515   3.595  19.784
  367   3HZ   LYS  44          3HZ       LYS  44  -4.924   3.654  20.148
  368    H    SER  45           H        SER  45  -2.433   1.945  14.660
  369    HA   SER  45           HA       SER  45  -3.250   0.415  12.324
  370   1HB   SER  45          1HB       SER  45  -0.810   0.400  14.093
  371   2HB   SER  45          2HB       SER  45  -1.273  -1.103  13.320
  372    HG   SER  45           HG       SER  45  -0.732   1.417  11.995
  373    H    SER  46           H        SER  46  -3.430  -2.073  12.812
  374    HA   SER  46           HA       SER  46  -4.633  -2.407  15.444
  375   1HB   SER  46          1HB       SER  46  -6.431  -3.743  14.471
  376   2HB   SER  46          2HB       SER  46  -6.399  -2.172  13.696
  377    HG   SER  46           HG       SER  46  -5.132  -3.186  11.940
  378    H    LEU  47           H        LEU  47  -5.133  -5.071  15.551
  379    HA   LEU  47           HA       LEU  47  -2.475  -6.185  15.343
  380   1HB   LEU  47          1HB       LEU  47  -5.011  -7.347  16.503
  381   2HB   LEU  47          2HB       LEU  47  -3.397  -8.010  16.664
  382    HG   LEU  47           HG       LEU  47  -4.296  -5.331  17.760
  383   1HD1  LEU  47          1HD1      LEU  47  -5.399  -7.181  18.909
  384   2HD1  LEU  47          2HD1      LEU  47  -3.824  -7.959  19.195
  385   3HD1  LEU  47          3HD1      LEU  47  -4.198  -6.397  19.963
  386   1HD2  LEU  47          1HD2      LEU  47  -1.672  -6.821  17.949
  387   2HD2  LEU  47          2HD2      LEU  47  -1.974  -5.188  17.309
  388   3HD2  LEU  47          3HD2      LEU  47  -2.133  -5.503  19.054
  389    H    LEU  48           H        LEU  48  -5.428  -6.080  13.523
  390    HA   LEU  48           HA       LEU  48  -4.841  -8.589  12.182
  391   1HB   LEU  48          1HB       LEU  48  -7.135  -8.087  12.819
  392   2HB   LEU  48          2HB       LEU  48  -7.100  -6.607  11.882
  393    HG   LEU  48           HG       LEU  48  -6.710  -8.021   9.822
  394   1HD1  LEU  48          1HD1      LEU  48  -7.314 -10.257  11.771
  395   2HD1  LEU  48          2HD1      LEU  48  -7.419 -10.416  10.001
  396   3HD1  LEU  48          3HD1      LEU  48  -5.858 -10.041  10.770
  397   1HD2  LEU  48          1HD2      LEU  48  -8.885  -7.051  10.329
  398   2HD2  LEU  48          2HD2      LEU  48  -9.068  -8.666   9.604
  399   3HD2  LEU  48          3HD2      LEU  48  -9.289  -8.448  11.357
  400    H    VAL  49           H        VAL  49  -5.511  -5.159  11.166
  401    HA   VAL  49           HA       VAL  49  -3.679  -5.644   8.926
  402    HB   VAL  49           HB       VAL  49  -4.861  -3.914   7.764
  403   1HG1  VAL  49          1HG1      VAL  49  -5.807  -6.228   7.777
  404   2HG1  VAL  49          2HG1      VAL  49  -6.911  -5.726   9.080
  405   3HG1  VAL  49          3HG1      VAL  49  -7.019  -4.959   7.478
  406   1HG2  VAL  49          1HG2      VAL  49  -5.293  -2.448   9.723
  407   2HG2  VAL  49          2HG2      VAL  49  -6.731  -2.681   8.701
  408   3HG2  VAL  49          3HG2      VAL  49  -6.582  -3.560  10.241
  409    H    LYS  50           H        LYS  50  -2.147  -3.945   8.363
  410    HA   LYS  50           HA       LYS  50  -1.605  -2.139  10.614
  411   1HB   LYS  50          1HB       LYS  50  -0.085  -4.142  10.567
  412   2HB   LYS  50          2HB       LYS  50   0.495  -3.613   9.000
  413   1HG   LYS  50          1HG       LYS  50   1.060  -1.354  10.092
  414   2HG   LYS  50          2HG       LYS  50   0.702  -2.095  11.639
  415   1HD   LYS  50          1HD       LYS  50   2.738  -3.242   9.675
  416   2HD   LYS  50          2HD       LYS  50   3.168  -2.124  10.954
  417   1HE   LYS  50          1HE       LYS  50   2.118  -3.754  12.621
  418   2HE   LYS  50          2HE       LYS  50   1.921  -4.890  11.302
  419   1HZ   LYS  50          1HZ       LYS  50   4.303  -4.783  10.947
  420   2HZ   LYS  50          2HZ       LYS  50   4.477  -3.749  12.199
  421   3HZ   LYS  50          3HZ       LYS  50   3.961  -5.276  12.466
  422    H    TYR  51           H        TYR  51  -1.753  -0.055  10.004
  423    HA   TYR  51           HA       TYR  51  -1.489   0.516   7.142
  424   1HB   TYR  51          1HB       TYR  51  -2.887   1.628   9.602
  425   2HB   TYR  51          2HB       TYR  51  -2.455   2.786   8.360
  426    HD1  TYR  51           HD1      TYR  51  -3.267   2.262   5.933
  427    HD2  TYR  51           HD2      TYR  51  -4.890   0.421   9.438
  428    HE1  TYR  51           HE1      TYR  51  -5.377   1.660   4.649
  429    HE2  TYR  51           HE2      TYR  51  -6.994  -0.175   8.141
  430    HH   TYR  51           HH       TYR  51  -7.282   0.647   4.695
  431    H    VAL  52           H        VAL  52   0.513   1.175   6.527
  432    HA   VAL  52           HA       VAL  52   1.989   2.849   8.438
  433    HB   VAL  52           HB       VAL  52   2.972   1.027   6.233
  434   1HG1  VAL  52          1HG1      VAL  52   4.494   2.823   8.148
  435   2HG1  VAL  52          2HG1      VAL  52   5.240   1.547   7.156
  436   3HG1  VAL  52          3HG1      VAL  52   4.443   2.932   6.373
  437   1HG2  VAL  52          1HG2      VAL  52   3.115   0.801   9.257
  438   2HG2  VAL  52          2HG2      VAL  52   2.197  -0.242   8.145
  439   3HG2  VAL  52          3HG2      VAL  52   3.977  -0.258   8.115
  440    H    CYS  53           H        CYS  53   2.538   4.911   7.841
  441    HA   CYS  53           HA       CYS  53   1.711   5.674   5.142
  442   1HB   CYS  53          1HB       CYS  53   2.165   7.575   7.433
  443   2HB   CYS  53          2HB       CYS  53   1.297   7.854   5.936
  444    H    CYS  54           H        CYS  54   3.156   7.159   3.953
  445    HA   CYS  54           HA       CYS  54   5.813   7.465   5.063
  446   1HB   CYS  54          1HB       CYS  54   6.687   6.672   2.730
  447   2HB   CYS  54          2HB       CYS  54   6.400   5.530   4.027
  448    H    ASN  55           H        ASN  55   6.857   9.330   4.187
  449    HA   ASN  55           HA       ASN  55   5.083  10.923   2.533
  450   1HB   ASN  55          1HB       ASN  55   6.610  12.832   3.286
  451   2HB   ASN  55          2HB       ASN  55   5.735  12.051   4.588
  452   1HD2  ASN  55          2HD2      ASN  55   6.786  10.691   6.023
  453   2HD2  ASN  55          1HD2      ASN  55   8.507  10.664   6.216
  454    H    THR  56           H        THR  56   6.340   8.945   1.068
  455    HA   THR  56           HA       THR  56   8.402  10.448  -0.383
  456    HB   THR  56           HB       THR  56   9.367   7.944  -0.652
  457    HG1  THR  56           HG1      THR  56   8.168   8.095   2.017
  458   1HG2  THR  56          1HG2      THR  56   9.701   9.635   1.883
  459   2HG2  THR  56          2HG2      THR  56  10.766   8.288   1.415
  460   3HG2  THR  56          3HG2      THR  56  10.693   9.755   0.410
  461    H    ASP  57           H        ASP  57   8.461  10.121  -2.629
  462    HA   ASP  57           HA       ASP  57   5.972   9.630  -3.732
  463   1HB   ASP  57          1HB       ASP  57   8.760   9.708  -4.970
  464   2HB   ASP  57          2HB       ASP  57   7.298   9.610  -5.931
  465    H    LYS  58           H        LYS  58   5.153   7.773  -4.881
  466    HA   LYS  58           HA       LYS  58   4.831   5.569  -5.038
  467   1HB   LYS  58          1HB       LYS  58   7.582   5.828  -6.288
  468   2HB   LYS  58          2HB       LYS  58   6.510   4.459  -6.503
  469   1HG   LYS  58          1HG       LYS  58   4.739   6.077  -7.375
  470   2HG   LYS  58          2HG       LYS  58   5.943   7.349  -7.309
  471   1HD   LYS  58          1HD       LYS  58   6.321   4.758  -8.880
  472   2HD   LYS  58          2HD       LYS  58   5.686   6.231  -9.587
  473   1HE   LYS  58          1HE       LYS  58   7.838   6.837  -9.999
  474   2HE   LYS  58          2HE       LYS  58   8.009   7.107  -8.276
  475   1HZ   LYS  58          1HZ       LYS  58   8.640   4.778  -8.061
  476   2HZ   LYS  58          2HZ       LYS  58   8.547   4.583  -9.680
  477   3HZ   LYS  58          3HZ       LYS  58   9.661   5.592  -9.042
  478    H    CYS  59           H        CYS  59   5.180   5.878  -2.461
  479    HA   CYS  59           HA       CYS  59   7.407   4.181  -1.657
  480   1HB   CYS  59          1HB       CYS  59   7.070   4.984   0.565
  481   2HB   CYS  59          2HB       CYS  59   7.143   6.352  -0.528
  482    H    ASN  60           H        ASN  60   3.816   4.606  -1.418
  483    HA   ASN  60           HA       ASN  60   3.513   2.117  -0.097
  484   1HB   ASN  60          1HB       ASN  60   1.109   2.589  -0.245
  485   2HB   ASN  60          2HB       ASN  60   1.933   4.077   0.176
  486   1HD2  ASN  60          2HD2      ASN  60  -0.559   4.158  -0.869
  487   2HD2  ASN  60          1HD2      ASN  60  -0.555   4.806  -2.475
  488   1H    HOH  61          1H        HOH  61  -1.379  -9.334   2.865
  489   2H    HOH  61          2H        HOH  61   0.007  -8.998   3.371
  490   1H    HOH  62          1H        HOH  62   5.766 -12.554   4.134
  491   2H    HOH  62          2H        HOH  62   5.867 -13.599   5.224
  Start of MODEL   11
    1    H    LEU   1           H        LEU   1   2.371  15.334  -5.333
    2    HA   LEU   1           HA       LEU   1   3.769  13.602  -4.937
    3   1HB   LEU   1          1HB       LEU   1   1.953  13.119  -2.594
    4   2HB   LEU   1          2HB       LEU   1   3.106  11.903  -3.104
    5    HG   LEU   1           HG       LEU   1   4.762  14.032  -2.960
    6   1HD1  LEU   1          1HD1      LEU   1   2.640  14.553  -0.859
    7   2HD1  LEU   1          2HD1      LEU   1   4.232  15.344  -0.948
    8   3HD1  LEU   1          3HD1      LEU   1   3.041  15.594  -2.247
    9   1HD2  LEU   1          1HD2      LEU   1   3.934  12.233  -0.666
   10   2HD2  LEU   1          2HD2      LEU   1   5.157  11.885  -1.912
   11   3HD2  LEU   1          3HD2      LEU   1   5.431  13.194  -0.737
   12    H    LYS   2           H        LYS   2   3.748  11.301  -5.617
   13    HA   LYS   2           HA       LYS   2   1.154  10.536  -6.751
   14   1HB   LYS   2          1HB       LYS   2   2.449   9.709  -8.761
   15   2HB   LYS   2          2HB       LYS   2   2.284  11.447  -8.611
   16   1HG   LYS   2          1HG       LYS   2   4.552  11.677  -7.758
   17   2HG   LYS   2          2HG       LYS   2   4.722   9.944  -7.562
   18   1HD   LYS   2          1HD       LYS   2   5.889  10.489  -9.590
   19   2HD   LYS   2          2HD       LYS   2   4.400   9.714 -10.092
   20   1HE   LYS   2          1HE       LYS   2   3.357  11.889 -10.570
   21   2HE   LYS   2          2HE       LYS   2   4.728  12.745  -9.893
   22   1HZ   LYS   2          1HZ       LYS   2   4.837  10.983 -12.244
   23   2HZ   LYS   2          2HZ       LYS   2   4.843  12.616 -12.282
   24   3HZ   LYS   2          3HZ       LYS   2   6.100  11.810 -11.621
   25    H    CYS   3           H        CYS   3   0.572   8.443  -6.362
   26    HA   CYS   3           HA       CYS   3   2.692   6.619  -5.543
   27   1HB   CYS   3          1HB       CYS   3   0.368   7.500  -3.896
   28   2HB   CYS   3          2HB       CYS   3   0.812   5.806  -3.833
   29    H    LYS   4           H        LYS   4   1.418   4.295  -5.246
   30    HA   LYS   4           HA       LYS   4  -0.060   4.015  -7.749
   31   1HB   LYS   4          1HB       LYS   4   1.559   2.116  -6.051
   32   2HB   LYS   4          2HB       LYS   4   0.447   1.527  -7.270
   33   1HG   LYS   4          1HG       LYS   4   2.455   3.680  -7.995
   34   2HG   LYS   4          2HG       LYS   4   2.975   2.008  -7.908
   35   1HD   LYS   4          1HD       LYS   4   1.218   1.355  -9.547
   36   2HD   LYS   4          2HD       LYS   4   0.641   3.009  -9.608
   37   1HE   LYS   4          1HE       LYS   4   2.881   3.753 -10.459
   38   2HE   LYS   4          2HE       LYS   4   3.446   2.095 -10.411
   39   1HZ   LYS   4          1HZ       LYS   4   1.181   3.061 -12.016
   40   2HZ   LYS   4          2HZ       LYS   4   2.668   2.702 -12.589
   41   3HZ   LYS   4          3HZ       LYS   4   1.721   1.520 -11.978
   42    H    LYS   5           H        LYS   5  -1.953   2.520  -7.779
   43    HA   LYS   5           HA       LYS   5  -3.539   3.003  -5.385
   44   1HB   LYS   5          1HB       LYS   5  -4.357   2.093  -8.161
   45   2HB   LYS   5          2HB       LYS   5  -5.451   2.440  -6.837
   46   1HG   LYS   5          1HG       LYS   5  -4.041   4.765  -6.823
   47   2HG   LYS   5          2HG       LYS   5  -3.826   4.336  -8.508
   48   1HD   LYS   5          1HD       LYS   5  -5.824   5.588  -8.557
   49   2HD   LYS   5          2HD       LYS   5  -6.415   3.938  -8.534
   50   1HE   LYS   5          1HE       LYS   5  -6.503   4.168  -5.948
   51   2HE   LYS   5          2HE       LYS   5  -6.261   5.886  -6.195
   52   1HZ   LYS   5          1HZ       LYS   5  -8.216   5.820  -7.670
   53   2HZ   LYS   5          2HZ       LYS   5  -8.476   4.266  -7.239
   54   3HZ   LYS   5          3HZ       LYS   5  -8.564   5.450  -6.118
   55    H    LEU   6           H        LEU   6  -5.409   0.860  -5.747
   56    HA   LEU   6           HA       LEU   6  -4.286  -1.081  -4.182
   57   1HB   LEU   6          1HB       LEU   6  -6.648  -1.036  -6.033
   58   2HB   LEU   6          2HB       LEU   6  -6.214  -2.503  -5.177
   59    HG   LEU   6           HG       LEU   6  -6.283  -1.006  -3.043
   60   1HD1  LEU   6          1HD1      LEU   6  -7.730   0.710  -5.059
   61   2HD1  LEU   6          2HD1      LEU   6  -8.083   0.789  -3.316
   62   3HD1  LEU   6          3HD1      LEU   6  -6.448   1.167  -3.911
   63   1HD2  LEU   6          1HD2      LEU   6  -8.797  -1.824  -4.524
   64   2HD2  LEU   6          2HD2      LEU   6  -7.811  -2.843  -3.449
   65   3HD2  LEU   6          3HD2      LEU   6  -8.695  -1.448  -2.787
   66    H    VAL   7           H        VAL   7  -4.568  -0.966  -7.785
   67    HA   VAL   7           HA       VAL   7  -2.876  -3.348  -7.895
   68    HB   VAL   7           HB       VAL   7  -4.521  -1.931 -10.002
   69   1HG1  VAL   7          1HG1      VAL   7  -2.455  -3.100 -10.852
   70   2HG1  VAL   7          2HG1      VAL   7  -3.132  -4.619 -10.220
   71   3HG1  VAL   7          3HG1      VAL   7  -3.991  -3.726 -11.498
   72   1HG2  VAL   7          1HG2      VAL   7  -4.992  -4.505  -8.463
   73   2HG2  VAL   7          2HG2      VAL   7  -5.953  -3.009  -8.382
   74   3HG2  VAL   7          3HG2      VAL   7  -5.942  -3.980  -9.874
   75    HA   PRO   8           HA       PRO   8   0.480  -0.812  -8.940
   76   1HB   PRO   8          1HB       PRO   8   2.255  -2.740  -9.716
   77   2HB   PRO   8          2HB       PRO   8   1.976  -2.313  -8.039
   78   1HG   PRO   8          1HG       PRO   8   1.055  -4.699  -9.522
   79   2HG   PRO   8          2HG       PRO   8   1.158  -4.455  -7.790
   80   1HD   PRO   8          1HD       PRO   8  -1.218  -4.379  -9.395
   81   2HD   PRO   8          2HD       PRO   8  -1.097  -4.021  -7.684
   82    H    LEU   9           H        LEU   9  -1.310  -0.268 -10.708
   83    HA   LEU   9           HA       LEU   9   0.238  -0.422 -13.167
   84   1HB   LEU   9          1HB       LEU   9  -2.534  -1.505 -12.780
   85   2HB   LEU   9          2HB       LEU   9  -2.036  -0.868 -14.334
   86    HG   LEU   9           HG       LEU   9  -0.296  -2.919 -13.014
   87   1HD1  LEU   9          1HD1      LEU   9  -3.079  -3.368 -13.924
   88   2HD1  LEU   9          2HD1      LEU   9  -1.863  -4.530 -14.508
   89   3HD1  LEU   9          3HD1      LEU   9  -2.082  -4.273 -12.760
   90   1HD2  LEU   9          1HD2      LEU   9   0.420  -1.812 -15.093
   91   2HD2  LEU   9          2HD2      LEU   9   0.180  -3.563 -15.308
   92   3HD2  LEU   9          3HD2      LEU   9  -1.042  -2.417 -15.909
   93    H    PHE  10           H        PHE  10  -2.668   0.841 -11.423
   94    HA   PHE  10           HA       PHE  10  -2.445   3.277 -13.016
   95   1HB   PHE  10          1HB       PHE  10  -4.504   1.938 -11.192
   96   2HB   PHE  10          2HB       PHE  10  -4.676   3.639 -11.579
   97    HD1  PHE  10           HD1      PHE  10  -4.790   0.233 -12.922
   98    HD2  PHE  10           HD2      PHE  10  -5.311   4.351 -13.803
   99    HE1  PHE  10           HE1      PHE  10  -5.958  -0.372 -15.060
  100    HE2  PHE  10           HE2      PHE  10  -6.479   3.746 -15.941
  101    HZ   PHE  10           HZ       PHE  10  -6.788   1.392 -16.544
  102    H    SER  11           H        SER  11  -1.873   5.252 -12.136
  103    HA   SER  11           HA       SER  11  -1.275   5.173  -9.281
  104   1HB   SER  11          1HB       SER  11   0.365   7.115  -9.999
  105   2HB   SER  11          2HB       SER  11   0.834   5.443 -10.233
  106    HG   SER  11           HG       SER  11   1.221   6.715 -12.146
  107    H    LYS  12           H        LYS  12  -1.715   7.143  -8.049
  108    HA   LYS  12           HA       LYS  12  -3.392   9.077  -9.475
  109   1HB   LYS  12          1HB       LYS  12  -4.941   7.594  -8.395
  110   2HB   LYS  12          2HB       LYS  12  -4.046   7.644  -6.890
  111   1HG   LYS  12          1HG       LYS  12  -4.564  10.028  -6.590
  112   2HG   LYS  12          2HG       LYS  12  -5.304  10.111  -8.177
  113   1HD   LYS  12          1HD       LYS  12  -6.338   8.151  -6.098
  114   2HD   LYS  12          2HD       LYS  12  -6.848   9.827  -6.067
  115   1HE   LYS  12          1HE       LYS  12  -7.535   9.573  -8.521
  116   2HE   LYS  12          2HE       LYS  12  -7.203   7.859  -8.375
  117   1HZ   LYS  12          1HZ       LYS  12  -8.790   7.832  -6.515
  118   2HZ   LYS  12          2HZ       LYS  12  -9.169   9.391  -6.822
  119   3HZ   LYS  12          3HZ       LYS  12  -9.479   8.240  -7.938
  120    H    THR  13           H        THR  13  -3.387  11.226  -8.540
  121    HA   THR  13           HA       THR  13  -0.968  11.671  -6.928
  122    HB   THR  13           HB       THR  13  -2.517  13.547  -8.790
  123    HG1  THR  13           HG1      THR  13  -0.801  12.922 -10.234
  124   1HG2  THR  13          1HG2      THR  13  -0.966  14.549  -6.940
  125   2HG2  THR  13          2HG2      THR  13   0.367  13.764  -7.820
  126   3HG2  THR  13          3HG2      THR  13  -0.618  15.010  -8.623
  127    H    CYS  14           H        CYS  14  -1.203  12.142  -4.843
  128    HA   CYS  14           HA       CYS  14  -3.656  12.390  -3.634
  129   1HB   CYS  14          1HB       CYS  14  -1.031  13.505  -2.625
  130   2HB   CYS  14          2HB       CYS  14  -2.448  13.136  -1.662
  131    HA   PRO  15           HA       PRO  15  -4.454  16.532  -4.968
  132   1HB   PRO  15          1HB       PRO  15  -7.106  16.585  -4.307
  133   2HB   PRO  15          2HB       PRO  15  -6.513  15.989  -5.845
  134   1HG   PRO  15          1HG       PRO  15  -7.518  14.456  -3.526
  135   2HG   PRO  15          2HG       PRO  15  -7.328  13.934  -5.188
  136   1HD   PRO  15          1HD       PRO  15  -5.614  13.289  -2.980
  137   2HD   PRO  15          2HD       PRO  15  -5.362  12.864  -4.661
  138    H    ALA  16           H        ALA  16  -5.558  18.564  -3.992
  139    HA   ALA  16           HA       ALA  16  -4.165  19.229  -1.752
  140   1HB   ALA  16          1HB       ALA  16  -6.892  20.214  -2.685
  141   2HB   ALA  16          2HB       ALA  16  -5.842  21.058  -1.521
  142   3HB   ALA  16          3HB       ALA  16  -5.306  20.835  -3.204
  143    H    GLY  17           H        GLY  17  -4.343  18.915   0.440
  144   1HA   GLY  17          1HA       GLY  17  -5.796  18.640   2.346
  145   2HA   GLY  17          2HA       GLY  17  -6.791  17.557   1.393
  146    H    LYS  18           H        LYS  18  -4.725  16.027   0.082
  147    HA   LYS  18           HA       LYS  18  -3.612  14.643   2.422
  148   1HB   LYS  18          1HB       LYS  18  -4.408  13.460  -0.255
  149   2HB   LYS  18          2HB       LYS  18  -3.796  12.582   1.132
  150   1HG   LYS  18          1HG       LYS  18  -5.760  13.029   2.434
  151   2HG   LYS  18          2HG       LYS  18  -6.279  14.319   1.368
  152   1HD   LYS  18          1HD       LYS  18  -6.766  12.715  -0.432
  153   2HD   LYS  18          2HD       LYS  18  -6.084  11.398   0.501
  154   1HE   LYS  18          1HE       LYS  18  -7.848  11.738   2.255
  155   2HE   LYS  18          2HE       LYS  18  -8.536  13.039   1.303
  156   1HZ   LYS  18          1HZ       LYS  18  -8.910  11.461  -0.472
  157   2HZ   LYS  18          2HZ       LYS  18  -8.271  10.249   0.417
  158   3HZ   LYS  18          3HZ       LYS  18  -9.656  10.971   0.895
  159    H    ASN  19           H        ASN  19  -1.432  14.057   2.418
  160    HA   ASN  19           HA       ASN  19   0.053  14.681   0.023
  161   1HB   ASN  19          1HB       ASN  19   0.476  15.971   2.755
  162   2HB   ASN  19          2HB       ASN  19   1.805  15.829   1.622
  163   1HD2  ASN  19          2HD2      ASN  19  -1.261  17.300   2.326
  164   2HD2  ASN  19          1HD2      ASN  19  -1.248  18.524   1.100
  165    H    LEU  20           H        LEU  20  -0.842  12.340   1.893
  166    HA   LEU  20           HA       LEU  20   1.849  11.238   2.257
  167   1HB   LEU  20          1HB       LEU  20  -0.466  11.051   4.187
  168   2HB   LEU  20          2HB       LEU  20   0.985  10.074   4.284
  169    HG   LEU  20           HG       LEU  20   1.092  13.093   4.328
  170   1HD1  LEU  20          1HD1      LEU  20  -0.403  12.372   6.132
  171   2HD1  LEU  20          2HD1      LEU  20   0.847  11.251   6.724
  172   3HD1  LEU  20          3HD1      LEU  20   1.134  13.007   6.766
  173   1HD2  LEU  20          1HD2      LEU  20   3.016  10.918   5.187
  174   2HD2  LEU  20          2HD2      LEU  20   3.204  12.071   3.844
  175   3HD2  LEU  20          3HD2      LEU  20   3.238  12.651   5.527
  176    H    CYS  21           H        CYS  21   1.779   8.769   2.342
  177    HA   CYS  21           HA       CYS  21  -0.359   7.860   0.553
  178   1HB   CYS  21          1HB       CYS  21   2.563   7.094   0.606
  179   2HB   CYS  21          2HB       CYS  21   1.344   6.173  -0.252
  180    H    TYR  22           H        TYR  22  -1.583   6.171   1.363
  181    HA   TYR  22           HA       TYR  22  -0.596   4.925   3.832
  182   1HB   TYR  22          1HB       TYR  22  -2.896   4.921   4.439
  183   2HB   TYR  22          2HB       TYR  22  -2.877   6.323   3.388
  184    HD1  TYR  22           HD1      TYR  22  -3.337   2.601   3.176
  185    HD2  TYR  22           HD2      TYR  22  -4.465   6.454   1.697
  186    HE1  TYR  22           HE1      TYR  22  -5.103   1.525   1.697
  187    HE2  TYR  22           HE2      TYR  22  -6.227   5.365   0.223
  188    HH   TYR  22           HH       TYR  22  -6.607   1.831   0.181
  189    H    LYS  23           H        LYS  23  -0.656   2.655   4.090
  190    HA   LYS  23           HA       LYS  23  -1.423   1.133   1.717
  191   1HB   LYS  23          1HB       LYS  23   0.649  -0.195   1.866
  192   2HB   LYS  23          2HB       LYS  23   0.952   1.479   1.449
  193   1HG   LYS  23          1HG       LYS  23   0.974   1.280   4.327
  194   2HG   LYS  23          2HG       LYS  23   1.970  -0.017   3.699
  195   1HD   LYS  23          1HD       LYS  23   2.301   2.742   2.514
  196   2HD   LYS  23          2HD       LYS  23   2.974   2.435   4.103
  197   1HE   LYS  23          1HE       LYS  23   3.526   0.498   1.833
  198   2HE   LYS  23          2HE       LYS  23   4.448   1.983   1.955
  199   1HZ   LYS  23          1HZ       LYS  23   4.157   0.125   4.206
  200   2HZ   LYS  23          2HZ       LYS  23   5.385   0.029   3.133
  201   3HZ   LYS  23          3HZ       LYS  23   5.217   1.359   4.065
  202    H    MET  24           H        MET  24  -2.451  -0.791   2.182
  203    HA   MET  24           HA       MET  24  -2.624  -1.389   5.035
  204   1HB   MET  24          1HB       MET  24  -4.725  -0.544   3.742
  205   2HB   MET  24          2HB       MET  24  -4.687  -2.065   2.874
  206   1HG   MET  24          1HG       MET  24  -4.659  -2.050   5.912
  207   2HG   MET  24          2HG       MET  24  -6.171  -1.862   5.047
  208   1HE   MET  24          1HE       MET  24  -7.303  -3.918   5.863
  209   2HE   MET  24          2HE       MET  24  -7.520  -3.794   4.101
  210   3HE   MET  24          3HE       MET  24  -7.186  -5.375   4.847
  211    H    PHE  25           H        PHE  25  -1.898  -3.377   5.684
  212    HA   PHE  25           HA       PHE  25  -1.776  -5.472   3.641
  213   1HB   PHE  25          1HB       PHE  25   0.315  -4.810   5.798
  214   2HB   PHE  25          2HB       PHE  25   0.483  -6.037   4.558
  215    HD1  PHE  25           HD1      PHE  25  -0.591  -4.399   2.231
  216    HD2  PHE  25           HD2      PHE  25   2.197  -3.480   5.294
  217    HE1  PHE  25           HE1      PHE  25   0.514  -2.725   0.722
  218    HE2  PHE  25           HE2      PHE  25   3.303  -1.806   3.786
  219    HZ   PHE  25           HZ       PHE  25   2.448  -1.449   1.518
  220    H    MET  26           H        MET  26  -1.448  -7.700   4.674
  221    HA   MET  26           HA       MET  26  -3.118  -7.766   7.044
  222   1HB   MET  26          1HB       MET  26  -2.509  -9.605   4.730
  223   2HB   MET  26          2HB       MET  26  -2.881 -10.385   6.255
  224   1HG   MET  26          1HG       MET  26  -5.066 -10.140   5.617
  225   2HG   MET  26          2HG       MET  26  -4.881  -8.483   6.157
  226   1HE   MET  26          1HE       MET  26  -3.794 -10.699   3.067
  227   2HE   MET  26          2HE       MET  26  -5.555 -10.840   3.281
  228   3HE   MET  26          3HE       MET  26  -4.896 -10.028   1.841
  229    H    VAL  27           H        VAL  27  -2.487  -8.810   8.976
  230    HA   VAL  27           HA       VAL  27   0.289  -8.862   9.469
  231    HB   VAL  27           HB       VAL  27  -1.496  -8.292  11.095
  232   1HG1  VAL  27          1HG1      VAL  27  -2.834 -10.456  10.281
  233   2HG1  VAL  27          2HG1      VAL  27  -1.980 -11.184  11.663
  234   3HG1  VAL  27          3HG1      VAL  27  -3.036  -9.772  11.912
  235   1HG2  VAL  27          1HG2      VAL  27   0.355 -10.560  11.905
  236   2HG2  VAL  27          2HG2      VAL  27   0.755  -8.826  11.872
  237   3HG2  VAL  27          3HG2      VAL  27  -0.458  -9.438  13.023
  238    H    ALA  28           H        ALA  28   0.833 -10.317   7.575
  239    HA   ALA  28           HA       ALA  28   1.380 -12.904   8.556
  240   1HB   ALA  28          1HB       ALA  28  -0.852 -12.593   6.517
  241   2HB   ALA  28          2HB       ALA  28   0.049 -14.111   6.751
  242   3HB   ALA  28          3HB       ALA  28  -0.912 -13.431   8.086
  243    H    ALA  29           H        ALA  29   0.932 -10.718   5.724
  244    HA   ALA  29           HA       ALA  29   3.601 -11.553   4.843
  245   1HB   ALA  29          1HB       ALA  29   1.942 -12.711   3.447
  246   2HB   ALA  29          2HB       ALA  29   1.137 -11.163   3.096
  247   3HB   ALA  29          3HB       ALA  29   2.788 -11.462   2.502
  248    HA   PRO  30           HA       PRO  30   3.621  -7.131   5.244
  249   1HB   PRO  30          1HB       PRO  30   6.268  -6.894   5.880
  250   2HB   PRO  30          2HB       PRO  30   5.009  -7.103   7.081
  251   1HG   PRO  30          1HG       PRO  30   6.977  -9.077   6.096
  252   2HG   PRO  30          2HG       PRO  30   6.014  -9.123   7.559
  253   1HD   PRO  30          1HD       PRO  30   5.548 -10.608   5.150
  254   2HD   PRO  30          2HD       PRO  30   4.522 -10.566   6.570
  255    H    HIS  31           H        HIS  31   5.325  -9.268   3.224
  256    HA   HIS  31           HA       HIS  31   6.183  -7.024   1.575
  257   1HB   HIS  31          1HB       HIS  31   7.822  -8.792   2.219
  258   2HB   HIS  31          2HB       HIS  31   6.862  -9.969   1.343
  259    HD1  HIS  31           HD1      HIS  31   8.536  -6.597   0.560
  260    HD2  HIS  31           HD2      HIS  31   7.730 -10.310  -1.217
  261    HE1  HIS  31           HE1      HIS  31   9.624  -6.537  -1.747
  262    H    VAL  32           H        VAL  32   3.326  -7.965   1.968
  263    HA   VAL  32           HA       VAL  32   2.782  -8.371  -0.880
  264    HB   VAL  32           HB       VAL  32   1.643  -9.915   1.451
  265   1HG1  VAL  32          1HG1      VAL  32   0.607  -9.669  -1.387
  266   2HG1  VAL  32          2HG1      VAL  32   0.169 -11.003  -0.293
  267   3HG1  VAL  32          3HG1      VAL  32  -0.258  -9.328   0.131
  268   1HG2  VAL  32          1HG2      VAL  32   3.729 -10.804   0.543
  269   2HG2  VAL  32          2HG2      VAL  32   2.367 -11.877   0.140
  270   3HG2  VAL  32          3HG2      VAL  32   3.042 -10.791  -1.099
  271    HA   PRO  33           HA       PRO  33   0.432  -4.856   0.386
  272   1HB   PRO  33          1HB       PRO  33   0.241  -3.709  -2.087
  273   2HB   PRO  33          2HB       PRO  33   1.569  -3.398  -0.986
  274   1HG   PRO  33          1HG       PRO  33   1.534  -5.071  -3.423
  275   2HG   PRO  33          2HG       PRO  33   2.912  -4.411  -2.564
  276   1HD   PRO  33          1HD       PRO  33   1.982  -7.123  -2.489
  277   2HD   PRO  33          2HD       PRO  33   3.287  -6.436  -1.542
  278    H    VAL  34           H        VAL  34  -1.716  -4.521   0.656
  279    HA   VAL  34           HA       VAL  34  -3.340  -6.316  -0.996
  280    HB   VAL  34           HB       VAL  34  -4.064  -4.965   1.606
  281   1HG1  VAL  34          1HG1      VAL  34  -5.947  -5.748   0.207
  282   2HG1  VAL  34          2HG1      VAL  34  -5.250  -7.386   0.207
  283   3HG1  VAL  34          3HG1      VAL  34  -5.813  -6.659   1.731
  284   1HG2  VAL  34          1HG2      VAL  34  -2.012  -6.564   1.636
  285   2HG2  VAL  34          2HG2      VAL  34  -3.308  -6.797   2.834
  286   3HG2  VAL  34          3HG2      VAL  34  -3.220  -7.851   1.403
  287    H    LYS  35           H        LYS  35  -3.514  -3.042   0.586
  288    HA   LYS  35           HA       LYS  35  -4.850  -2.122  -1.858
  289   1HB   LYS  35          1HB       LYS  35  -5.636  -1.390   0.979
  290   2HB   LYS  35          2HB       LYS  35  -6.346  -0.745  -0.487
  291   1HG   LYS  35          1HG       LYS  35  -7.637  -2.600  -0.816
  292   2HG   LYS  35          2HG       LYS  35  -6.308  -3.694  -0.490
  293   1HD   LYS  35          1HD       LYS  35  -6.617  -3.413   1.946
  294   2HD   LYS  35          2HD       LYS  35  -7.860  -2.207   1.680
  295   1HE   LYS  35          1HE       LYS  35  -8.704  -4.432   0.148
  296   2HE   LYS  35          2HE       LYS  35  -8.077  -5.135   1.625
  297   1HZ   LYS  35          1HZ       LYS  35  -9.478  -3.602   2.859
  298   2HZ   LYS  35          2HZ       LYS  35 -10.087  -2.997   1.470
  299   3HZ   LYS  35          3HZ       LYS  35 -10.367  -4.554   1.874
  300    H    ARG  36           H        ARG  36  -4.694   0.317  -2.102
  301    HA   ARG  36           HA       ARG  36  -2.645   1.560  -0.589
  302   1HB   ARG  36          1HB       ARG  36  -2.164   1.013  -3.562
  303   2HB   ARG  36          2HB       ARG  36  -1.150   2.026  -2.553
  304   1HG   ARG  36          1HG       ARG  36  -0.711   0.038  -1.057
  305   2HG   ARG  36          2HG       ARG  36  -1.657  -0.960  -2.143
  306   1HD   ARG  36          1HD       ARG  36   0.381   0.589  -3.602
  307   2HD   ARG  36          2HD       ARG  36   1.102  -0.408  -2.354
  308    HE   ARG  36           HE       ARG  36  -0.875  -1.906  -3.856
  309   1HH1  ARG  36          1HH1      ARG  36   2.429  -0.703  -4.000
  310   2HH1  ARG  36          2HH1      ARG  36   2.963  -1.929  -5.101
  311   1HH2  ARG  36          1HH2      ARG  36  -0.171  -3.523  -5.309
  312   2HH2  ARG  36          2HH2      ARG  36   1.474  -3.544  -5.851
  313    H    GLY  37           H        GLY  37  -2.976   3.805  -0.612
  314   1HA   GLY  37          1HA       GLY  37  -4.223   5.110  -2.852
  315   2HA   GLY  37          2HA       GLY  37  -5.295   4.928  -1.479
  316    H    CYS  38           H        CYS  38  -5.103   7.426  -1.709
  317    HA   CYS  38           HA       CYS  38  -2.662   8.390  -0.446
  318   1HB   CYS  38          1HB       CYS  38  -4.843   9.710  -2.039
  319   2HB   CYS  38          2HB       CYS  38  -3.804  10.660  -0.996
  320    H    ILE  39           H        ILE  39  -3.031  10.136   1.305
  321    HA   ILE  39           HA       ILE  39  -5.543  10.152   2.635
  322    HB   ILE  39           HB       ILE  39  -4.425   7.886   3.189
  323   1HG1  ILE  39          1HG1      ILE  39  -5.246   9.493   5.599
  324   2HG1  ILE  39          2HG1      ILE  39  -6.397   9.168   4.318
  325   1HG2  ILE  39          1HG2      ILE  39  -2.192   8.840   3.672
  326   2HG2  ILE  39          2HG2      ILE  39  -2.880   9.672   5.087
  327   3HG2  ILE  39          3HG2      ILE  39  -2.856   7.894   5.025
  328   1HD1  ILE  39          1HD1      ILE  39  -4.786   7.033   5.794
  329   2HD1  ILE  39          2HD1      ILE  39  -6.491   7.437   6.108
  330   3HD1  ILE  39          3HD1      ILE  39  -6.017   6.733   4.543
  331    H    ASP  40           H        ASP  40  -5.445  11.573   4.604
  332    HA   ASP  40           HA       ASP  40  -3.312  13.501   4.182
  333   1HB   ASP  40          1HB       ASP  40  -5.481  14.507   3.913
  334   2HB   ASP  40          2HB       ASP  40  -6.124  13.687   5.322
  335    H    VAL  41           H        VAL  41  -5.294  11.784   6.695
  336    HA   VAL  41           HA       VAL  41  -3.191  12.394   8.651
  337    HB   VAL  41           HB       VAL  41  -4.833  12.179  10.344
  338   1HG1  VAL  41          1HG1      VAL  41  -4.792  14.312   9.021
  339   2HG1  VAL  41          2HG1      VAL  41  -6.177  13.697   8.086
  340   3HG1  VAL  41          3HG1      VAL  41  -6.340  13.982   9.835
  341   1HG2  VAL  41          1HG2      VAL  41  -6.656  11.117   8.167
  342   2HG2  VAL  41          2HG2      VAL  41  -6.098  10.283   9.638
  343   3HG2  VAL  41          3HG2      VAL  41  -7.239  11.644   9.765
  344    H    CYS  42           H        CYS  42  -2.027  10.736   9.552
  345    HA   CYS  42           HA       CYS  42  -2.382   8.161   8.356
  346   1HB   CYS  42          1HB       CYS  42  -0.157   9.186   8.751
  347   2HB   CYS  42          2HB       CYS  42  -0.422   9.059  10.478
  348    HA   PRO  43           HA       PRO  43  -4.962   6.944  11.714
  349   1HB   PRO  43          1HB       PRO  43  -5.694   4.504  10.723
  350   2HB   PRO  43          2HB       PRO  43  -6.520   5.993  10.310
  351   1HG   PRO  43          1HG       PRO  43  -4.636   4.404   8.678
  352   2HG   PRO  43          2HG       PRO  43  -5.779   5.627   8.157
  353   1HD   PRO  43          1HD       PRO  43  -2.942   5.939   8.440
  354   2HD   PRO  43          2HD       PRO  43  -4.098   7.191   8.032
  355    H    LYS  44           H        LYS  44  -5.289   4.768  13.054
  356    HA   LYS  44           HA       LYS  44  -2.568   4.203  13.909
  357   1HB   LYS  44          1HB       LYS  44  -4.517   4.945  15.441
  358   2HB   LYS  44          2HB       LYS  44  -5.100   3.300  15.279
  359   1HG   LYS  44          1HG       LYS  44  -3.203   2.373  16.352
  360   2HG   LYS  44          2HG       LYS  44  -2.199   3.767  16.010
  361   1HD   LYS  44          1HD       LYS  44  -4.634   4.081  17.787
  362   2HD   LYS  44          2HD       LYS  44  -3.163   3.401  18.452
  363   1HE   LYS  44          1HE       LYS  44  -3.065   6.000  16.883
  364   2HE   LYS  44          2HE       LYS  44  -3.542   6.009  18.569
  365   1HZ   LYS  44          1HZ       LYS  44  -1.472   4.896  19.093
  366   2HZ   LYS  44          2HZ       LYS  44  -1.026   4.908  17.522
  367   3HZ   LYS  44          3HZ       LYS  44  -1.190   6.315  18.335
  368    H    SER  45           H        SER  45  -2.119   1.853  14.599
  369    HA   SER  45           HA       SER  45  -3.107   0.177  12.434
  370   1HB   SER  45          1HB       SER  45  -0.519   0.233  14.009
  371   2HB   SER  45          2HB       SER  45  -1.009  -1.236  13.188
  372    HG   SER  45           HG       SER  45  -0.618   1.363  11.968
  373    H    SER  46           H        SER  46  -3.283  -2.245  13.019
  374    HA   SER  46           HA       SER  46  -4.099  -2.510  15.803
  375   1HB   SER  46          1HB       SER  46  -6.017  -3.880  15.103
  376   2HB   SER  46          2HB       SER  46  -6.107  -2.293  14.365
  377    HG   SER  46           HG       SER  46  -6.546  -3.810  12.743
  378    H    LEU  47           H        LEU  47  -4.598  -5.159  16.050
  379    HA   LEU  47           HA       LEU  47  -2.010  -6.311  15.518
  380   1HB   LEU  47          1HB       LEU  47  -4.416  -7.136  17.125
  381   2HB   LEU  47          2HB       LEU  47  -3.084  -8.237  16.833
  382    HG   LEU  47           HG       LEU  47  -1.568  -6.416  17.830
  383   1HD1  LEU  47          1HD1      LEU  47  -4.280  -5.348  18.631
  384   2HD1  LEU  47          2HD1      LEU  47  -2.777  -4.947  19.496
  385   3HD1  LEU  47          3HD1      LEU  47  -2.963  -4.503  17.782
  386   1HD2  LEU  47          1HD2      LEU  47  -3.592  -7.833  19.586
  387   2HD2  LEU  47          2HD2      LEU  47  -2.063  -8.505  18.971
  388   3HD2  LEU  47          3HD2      LEU  47  -2.039  -7.153  20.128
  389    H    LEU  48           H        LEU  48  -5.009  -6.051  13.904
  390    HA   LEU  48           HA       LEU  48  -4.679  -8.631  12.585
  391   1HB   LEU  48          1HB       LEU  48  -6.891  -7.554  13.524
  392   2HB   LEU  48          2HB       LEU  48  -6.886  -6.705  11.991
  393    HG   LEU  48           HG       LEU  48  -6.650  -9.711  12.123
  394   1HD1  LEU  48          1HD1      LEU  48  -9.205  -8.083  12.067
  395   2HD1  LEU  48          2HD1      LEU  48  -9.091  -9.836  11.777
  396   3HD1  LEU  48          3HD1      LEU  48  -8.654  -9.167  13.367
  397   1HD2  LEU  48          1HD2      LEU  48  -6.049  -8.618  10.009
  398   2HD2  LEU  48          2HD2      LEU  48  -7.513  -9.618   9.848
  399   3HD2  LEU  48          3HD2      LEU  48  -7.652  -7.847   9.954
  400    H    VAL  49           H        VAL  49  -5.480  -5.255  11.498
  401    HA   VAL  49           HA       VAL  49  -3.864  -5.797   9.122
  402    HB   VAL  49           HB       VAL  49  -6.121  -3.934   9.791
  403   1HG1  VAL  49          1HG1      VAL  49  -4.198  -3.656   7.458
  404   2HG1  VAL  49          2HG1      VAL  49  -5.778  -2.844   7.570
  405   3HG1  VAL  49          3HG1      VAL  49  -4.501  -2.473   8.753
  406   1HG2  VAL  49          1HG2      VAL  49  -6.509  -6.254   8.884
  407   2HG2  VAL  49          2HG2      VAL  49  -7.196  -4.939   7.902
  408   3HG2  VAL  49          3HG2      VAL  49  -5.690  -5.737   7.391
  409    H    LYS  50           H        LYS  50  -2.250  -4.276   8.417
  410    HA   LYS  50           HA       LYS  50  -1.362  -2.485  10.570
  411   1HB   LYS  50          1HB       LYS  50   0.011  -4.582  10.334
  412   2HB   LYS  50          2HB       LYS  50   0.439  -4.066   8.715
  413   1HG   LYS  50          1HG       LYS  50   2.209  -3.092   9.835
  414   2HG   LYS  50          2HG       LYS  50   1.064  -1.777  10.008
  415   1HD   LYS  50          1HD       LYS  50   0.325  -2.885  12.223
  416   2HD   LYS  50          2HD       LYS  50   1.719  -3.935  12.060
  417   1HE   LYS  50          1HE       LYS  50   1.867  -0.882  12.084
  418   2HE   LYS  50          2HE       LYS  50   2.147  -1.891  13.489
  419   1HZ   LYS  50          1HZ       LYS  50   3.894  -3.004  12.146
  420   2HZ   LYS  50          2HZ       LYS  50   3.714  -1.844  11.010
  421   3HZ   LYS  50          3HZ       LYS  50   4.214  -1.445  12.512
  422    H    TYR  51           H        TYR  51  -1.569  -0.403   9.969
  423    HA   TYR  51           HA       TYR  51  -1.457   0.171   7.093
  424   1HB   TYR  51          1HB       TYR  51  -2.785   1.257   9.603
  425   2HB   TYR  51          2HB       TYR  51  -2.405   2.426   8.354
  426    HD1  TYR  51           HD1      TYR  51  -3.351   2.030   5.997
  427    HD2  TYR  51           HD2      TYR  51  -4.718  -0.092   9.451
  428    HE1  TYR  51           HE1      TYR  51  -5.495   1.412   4.778
  429    HE2  TYR  51           HE2      TYR  51  -6.858  -0.703   8.220
  430    HH   TYR  51           HH       TYR  51  -7.400   0.413   4.887
  431    H    VAL  52           H        VAL  52   0.464   0.938   6.373
  432    HA   VAL  52           HA       VAL  52   2.041   2.534   8.269
  433    HB   VAL  52           HB       VAL  52   2.906   0.909   5.869
  434   1HG1  VAL  52          1HG1      VAL  52   4.515   2.523   7.875
  435   2HG1  VAL  52          2HG1      VAL  52   5.212   1.370   6.711
  436   3HG1  VAL  52          3HG1      VAL  52   4.361   2.820   6.126
  437   1HG2  VAL  52          1HG2      VAL  52   3.201   0.398   8.848
  438   2HG2  VAL  52          2HG2      VAL  52   2.240  -0.547   7.685
  439   3HG2  VAL  52          3HG2      VAL  52   4.017  -0.534   7.570
  440    H    CYS  53           H        CYS  53   2.721   4.595   7.681
  441    HA   CYS  53           HA       CYS  53   1.684   5.507   5.095
  442   1HB   CYS  53          1HB       CYS  53   2.065   7.323   7.459
  443   2HB   CYS  53          2HB       CYS  53   1.113   7.583   6.011
  444    H    CYS  54           H        CYS  54   3.057   7.060   3.951
  445    HA   CYS  54           HA       CYS  54   5.667   7.544   5.090
  446   1HB   CYS  54          1HB       CYS  54   6.658   6.778   2.805
  447   2HB   CYS  54          2HB       CYS  54   6.398   5.628   4.101
  448    H    ASN  55           H        ASN  55   6.639   9.431   4.135
  449    HA   ASN  55           HA       ASN  55   4.770  10.881   2.450
  450   1HB   ASN  55          1HB       ASN  55   6.122  12.908   3.187
  451   2HB   ASN  55          2HB       ASN  55   5.338  12.068   4.511
  452   1HD2  ASN  55          2HD2      ASN  55   6.531  10.787   5.923
  453   2HD2  ASN  55          1HD2      ASN  55   8.249  10.929   6.097
  454    H    THR  56           H        THR  56   6.202   8.943   1.068
  455    HA   THR  56           HA       THR  56   8.186  10.551  -0.385
  456    HB   THR  56           HB       THR  56   9.280   8.096  -0.615
  457    HG1  THR  56           HG1      THR  56   8.810   6.965   1.399
  458   1HG2  THR  56          1HG2      THR  56  10.391  10.089   0.500
  459   2HG2  THR  56          2HG2      THR  56   9.505   9.691   1.992
  460   3HG2  THR  56          3HG2      THR  56  10.709   8.553   1.341
  461    H    ASP  57           H        ASP  57   8.407  10.051  -2.636
  462    HA   ASP  57           HA       ASP  57   5.930   9.493  -3.786
  463   1HB   ASP  57          1HB       ASP  57   8.738   9.623  -4.977
  464   2HB   ASP  57          2HB       ASP  57   7.287   9.500  -5.951
  465    H    LYS  58           H        LYS  58   5.227   7.585  -4.941
  466    HA   LYS  58           HA       LYS  58   4.992   5.368  -5.062
  467   1HB   LYS  58          1HB       LYS  58   6.754   4.290  -6.437
  468   2HB   LYS  58          2HB       LYS  58   6.205   5.824  -7.082
  469   1HG   LYS  58          1HG       LYS  58   8.179   6.979  -6.184
  470   2HG   LYS  58          2HG       LYS  58   8.692   5.535  -5.334
  471   1HD   LYS  58          1HD       LYS  58   8.897   4.349  -7.564
  472   2HD   LYS  58          2HD       LYS  58   8.498   5.856  -8.366
  473   1HE   LYS  58          1HE       LYS  58  10.861   5.519  -6.457
  474   2HE   LYS  58          2HE       LYS  58  10.990   5.395  -8.200
  475   1HZ   LYS  58          1HZ       LYS  58   9.984   7.664  -8.255
  476   2HZ   LYS  58          2HZ       LYS  58  10.215   7.752  -6.641
  477   3HZ   LYS  58          3HZ       LYS  58  11.495   7.587  -7.642
  478    H    CYS  59           H        CYS  59   5.320   5.867  -2.455
  479    HA   CYS  59           HA       CYS  59   7.516   4.190  -1.542
  480   1HB   CYS  59          1HB       CYS  59   7.181   5.105   0.617
  481   2HB   CYS  59          2HB       CYS  59   7.185   6.430  -0.529
  482    H    ASN  60           H        ASN  60   3.921   4.611  -1.410
  483    HA   ASN  60           HA       ASN  60   3.596   2.183   0.020
  484   1HB   ASN  60          1HB       ASN  60   1.155   2.618  -0.334
  485   2HB   ASN  60          2HB       ASN  60   1.974   4.045   0.270
  486   1HD2  ASN  60          2HD2      ASN  60  -0.440   4.211  -0.997
  487   2HD2  ASN  60          1HD2      ASN  60  -0.285   5.007  -2.527
  488   1H    HOH  61          1H        HOH  61  -2.040  -8.987   2.843
  489   2H    HOH  61          2H        HOH  61  -0.531  -8.961   2.730
  490   1H    HOH  62          1H        HOH  62   3.727  -8.817   7.450
  491   2H    HOH  62          2H        HOH  62   3.110  -9.440   8.683
  Start of MODEL   12
    1    H    LEU   1           H        LEU   1   3.659  15.533  -4.815
    2    HA   LEU   1           HA       LEU   1   2.828  13.428  -3.304
    3   1HB   LEU   1          1HB       LEU   1   0.991  15.457  -4.570
    4   2HB   LEU   1          2HB       LEU   1   0.748  14.582  -3.072
    5    HG   LEU   1           HG       LEU   1   3.130  15.873  -2.586
    6   1HD1  LEU   1          1HD1      LEU   1   2.997  17.138  -4.667
    7   2HD1  LEU   1          2HD1      LEU   1   1.395  17.760  -4.203
    8   3HD1  LEU   1          3HD1      LEU   1   2.833  18.211  -3.256
    9   1HD2  LEU   1          1HD2      LEU   1   0.289  16.713  -1.966
   10   2HD2  LEU   1          2HD2      LEU   1   1.376  15.711  -0.974
   11   3HD2  LEU   1          3HD2      LEU   1   1.732  17.438  -1.217
   12    H    LYS   2           H        LYS   2   3.536  11.819  -5.199
   13    HA   LYS   2           HA       LYS   2   1.030  11.059  -6.529
   14   1HB   LYS   2          1HB       LYS   2   3.853  10.816  -7.612
   15   2HB   LYS   2          2HB       LYS   2   2.421  10.150  -8.371
   16   1HG   LYS   2          1HG       LYS   2   1.432  12.475  -8.466
   17   2HG   LYS   2          2HG       LYS   2   2.921  13.109  -7.794
   18   1HD   LYS   2          1HD       LYS   2   4.188  12.147  -9.746
   19   2HD   LYS   2          2HD       LYS   2   2.678  11.573 -10.425
   20   1HE   LYS   2          1HE       LYS   2   1.824  13.928 -10.513
   21   2HE   LYS   2          2HE       LYS   2   3.337  14.500  -9.840
   22   1HZ   LYS   2          1HZ       LYS   2   4.467  13.579 -11.752
   23   2HZ   LYS   2          2HZ       LYS   2   3.056  13.047 -12.379
   24   3HZ   LYS   2          3HZ       LYS   2   3.327  14.649 -12.223
   25    H    CYS   3           H        CYS   3   0.268   9.073  -6.001
   26    HA   CYS   3           HA       CYS   3   2.196   7.222  -4.808
   27   1HB   CYS   3          1HB       CYS   3  -0.642   7.435  -3.829
   28   2HB   CYS   3          2HB       CYS   3   0.708   6.591  -3.098
   29    H    LYS   4           H        LYS   4   1.354   4.891  -4.956
   30    HA   LYS   4           HA       LYS   4   0.080   4.571  -7.549
   31   1HB   LYS   4          1HB       LYS   4   1.660   2.721  -5.752
   32   2HB   LYS   4          2HB       LYS   4   0.807   2.151  -7.173
   33   1HG   LYS   4          1HG       LYS   4   2.507   4.567  -7.614
   34   2HG   LYS   4          2HG       LYS   4   3.389   3.111  -7.196
   35   1HD   LYS   4          1HD       LYS   4   2.266   1.877  -9.045
   36   2HD   LYS   4          2HD       LYS   4   1.329   3.303  -9.445
   37   1HE   LYS   4          1HE       LYS   4   3.474   4.553  -9.899
   38   2HE   LYS   4          2HE       LYS   4   4.375   3.087  -9.568
   39   1HZ   LYS   4          1HZ       LYS   4   3.177   2.022 -11.365
   40   2HZ   LYS   4          2HZ       LYS   4   2.356   3.398 -11.681
   41   3HZ   LYS   4          3HZ       LYS   4   3.973   3.343 -11.902
   42    H    LYS   5           H        LYS   5  -1.631   2.885  -7.815
   43    HA   LYS   5           HA       LYS   5  -3.523   3.164  -5.632
   44   1HB   LYS   5          1HB       LYS   5  -3.927   1.999  -8.402
   45   2HB   LYS   5          2HB       LYS   5  -5.174   2.418  -7.245
   46   1HG   LYS   5          1HG       LYS   5  -4.054   4.824  -7.310
   47   2HG   LYS   5          2HG       LYS   5  -3.360   4.267  -8.819
   48   1HD   LYS   5          1HD       LYS   5  -5.308   4.951  -9.784
   49   2HD   LYS   5          2HD       LYS   5  -6.009   3.493  -9.112
   50   1HE   LYS   5          1HE       LYS   5  -5.909   6.174  -7.649
   51   2HE   LYS   5          2HE       LYS   5  -7.299   5.597  -8.548
   52   1HZ   LYS   5          1HZ       LYS   5  -7.260   3.627  -7.088
   53   2HZ   LYS   5          2HZ       LYS   5  -6.095   4.334  -6.188
   54   3HZ   LYS   5          3HZ       LYS   5  -7.573   5.020  -6.295
   55    H    LEU   6           H        LEU   6  -5.046   0.782  -6.134
   56    HA   LEU   6           HA       LEU   6  -3.835  -0.957  -4.376
   57   1HB   LEU   6          1HB       LEU   6  -6.024  -1.295  -6.414
   58   2HB   LEU   6          2HB       LEU   6  -5.520  -2.613  -5.374
   59    HG   LEU   6           HG       LEU   6  -5.935  -0.482  -3.612
   60   1HD1  LEU   6          1HD1      LEU   6  -8.110  -0.522  -5.721
   61   2HD1  LEU   6          2HD1      LEU   6  -8.235   0.268  -4.131
   62   3HD1  LEU   6          3HD1      LEU   6  -7.032   0.835  -5.314
   63   1HD2  LEU   6          1HD2      LEU   6  -6.431  -2.843  -3.201
   64   2HD2  LEU   6          2HD2      LEU   6  -7.829  -1.809  -2.826
   65   3HD2  LEU   6          3HD2      LEU   6  -7.803  -2.758  -4.331
   66    H    VAL   7           H        VAL   7  -3.717  -0.814  -7.966
   67    HA   VAL   7           HA       VAL   7  -1.899  -3.104  -7.924
   68    HB   VAL   7           HB       VAL   7  -3.319  -1.699 -10.195
   69   1HG1  VAL   7          1HG1      VAL   7  -1.129  -2.754 -10.809
   70   2HG1  VAL   7          2HG1      VAL   7  -1.783  -4.316 -10.258
   71   3HG1  VAL   7          3HG1      VAL   7  -2.538  -3.469 -11.629
   72   1HG2  VAL   7          1HG2      VAL   7  -3.892  -4.321  -8.776
   73   2HG2  VAL   7          2HG2      VAL   7  -4.914  -2.864  -8.807
   74   3HG2  VAL   7          3HG2      VAL   7  -4.661  -3.805 -10.296
   75    HA   PRO   8           HA       PRO   8   1.396  -0.320  -8.412
   76   1HB   PRO   8          1HB       PRO   8   3.401  -2.130  -8.829
   77   2HB   PRO   8          2HB       PRO   8   2.818  -1.695  -7.234
   78   1HG   PRO   8          1HG       PRO   8   2.320  -4.165  -8.779
   79   2HG   PRO   8          2HG       PRO   8   2.117  -3.885  -7.061
   80   1HD   PRO   8          1HD       PRO   8   0.042  -4.006  -9.037
   81   2HD   PRO   8          2HD       PRO   8  -0.148  -3.612  -7.341
   82    H    LEU   9           H        LEU   9  -0.093   0.090 -10.459
   83    HA   LEU   9           HA       LEU   9   1.847   0.024 -12.619
   84   1HB   LEU   9          1HB       LEU   9  -0.814  -1.352 -12.656
   85   2HB   LEU   9          2HB       LEU   9  -0.179  -0.644 -14.128
   86    HG   LEU   9           HG       LEU   9   1.552  -2.515 -12.542
   87   1HD1  LEU   9          1HD1      LEU   9  -0.820  -3.287 -14.233
   88   2HD1  LEU   9          2HD1      LEU   9   0.589  -4.361 -14.054
   89   3HD1  LEU   9          3HD1      LEU   9  -0.346  -3.872 -12.620
   90   1HD2  LEU   9          1HD2      LEU   9   2.514  -1.279 -14.431
   91   2HD2  LEU   9          2HD2      LEU   9   2.488  -3.033 -14.731
   92   3HD2  LEU   9          3HD2      LEU   9   1.287  -1.978 -15.514
   93    H    PHE  10           H        PHE  10  -1.406   1.031 -11.409
   94    HA   PHE  10           HA       PHE  10  -1.165   3.442 -13.035
   95   1HB   PHE  10          1HB       PHE  10  -3.320   1.852 -11.599
   96   2HB   PHE  10          2HB       PHE  10  -3.609   3.567 -11.812
   97    HD1  PHE  10           HD1      PHE  10  -3.066   0.387 -13.594
   98    HD2  PHE  10           HD2      PHE  10  -4.185   4.466 -13.946
   99    HE1  PHE  10           HE1      PHE  10  -3.894  -0.041 -15.924
  100    HE2  PHE  10           HE2      PHE  10  -5.013   4.037 -16.277
  101    HZ   PHE  10           HZ       PHE  10  -4.858   1.789 -17.238
  102    H    SER  11           H        SER  11  -0.954   5.493 -12.153
  103    HA   SER  11           HA       SER  11  -1.020   5.614  -9.247
  104   1HB   SER  11          1HB       SER  11   0.938   7.349  -9.582
  105   2HB   SER  11          2HB       SER  11   1.294   5.634  -9.533
  106    HG   SER  11           HG       SER  11   2.353   6.662 -11.329
  107    H    LYS  12           H        LYS  12  -1.593   7.750  -8.386
  108    HA   LYS  12           HA       LYS  12  -2.442   9.700 -10.375
  109   1HB   LYS  12          1HB       LYS  12  -4.271   7.920  -9.276
  110   2HB   LYS  12          2HB       LYS  12  -4.445   9.343  -8.269
  111   1HG   LYS  12          1HG       LYS  12  -4.721  10.760 -10.312
  112   2HG   LYS  12          2HG       LYS  12  -4.535   9.341 -11.324
  113   1HD   LYS  12          1HD       LYS  12  -6.664   9.378  -9.164
  114   2HD   LYS  12          2HD       LYS  12  -6.960  10.190 -10.689
  115   1HE   LYS  12          1HE       LYS  12  -5.962   7.320 -10.653
  116   2HE   LYS  12          2HE       LYS  12  -7.665   7.665 -10.427
  117   1HZ   LYS  12          1HZ       LYS  12  -7.624   8.877 -12.511
  118   2HZ   LYS  12          2HZ       LYS  12  -6.045   8.521 -12.725
  119   3HZ   LYS  12          3HZ       LYS  12  -7.159   7.326 -12.728
  120    H    THR  13           H        THR  13  -2.928  11.848  -9.333
  121    HA   THR  13           HA       THR  13  -1.016  12.247  -7.169
  122    HB   THR  13           HB       THR  13  -2.567  14.260  -8.878
  123    HG1  THR  13           HG1      THR  13  -0.714  14.037 -10.247
  124   1HG2  THR  13          1HG2      THR  13  -1.354  15.109  -6.776
  125   2HG2  THR  13          2HG2      THR  13   0.152  14.485  -7.493
  126   3HG2  THR  13          3HG2      THR  13  -0.751  15.784  -8.309
  127    H    CYS  14           H        CYS  14  -1.560  12.457  -5.094
  128    HA   CYS  14           HA       CYS  14  -4.145  12.097  -4.228
  129   1HB   CYS  14          1HB       CYS  14  -1.946  13.512  -2.712
  130   2HB   CYS  14          2HB       CYS  14  -3.350  12.713  -2.033
  131    HA   PRO  15           HA       PRO  15  -5.712  16.124  -4.980
  132   1HB   PRO  15          1HB       PRO  15  -8.238  15.744  -4.010
  133   2HB   PRO  15          2HB       PRO  15  -7.758  15.294  -5.634
  134   1HG   PRO  15          1HG       PRO  15  -8.225  13.553  -3.291
  135   2HG   PRO  15          2HG       PRO  15  -8.166  13.118  -4.988
  136   1HD   PRO  15          1HD       PRO  15  -6.114  12.681  -3.031
  137   2HD   PRO  15          2HD       PRO  15  -6.011  12.353  -4.749
  138    H    ALA  16           H        ALA  16  -6.533  18.071  -3.912
  139    HA   ALA  16           HA       ALA  16  -5.124  18.732  -1.737
  140   1HB   ALA  16          1HB       ALA  16  -7.967  19.569  -2.436
  141   2HB   ALA  16          2HB       ALA  16  -6.894  20.442  -1.316
  142   3HB   ALA  16          3HB       ALA  16  -6.464  20.307  -3.038
  143    H    GLY  17           H        GLY  17  -5.065  18.277   0.426
  144   1HA   GLY  17          1HA       GLY  17  -6.375  17.888   2.437
  145   2HA   GLY  17          2HA       GLY  17  -7.350  16.752   1.526
  146    H    LYS  18           H        LYS  18  -5.336  15.374   0.042
  147    HA   LYS  18           HA       LYS  18  -3.998  13.988   2.251
  148   1HB   LYS  18          1HB       LYS  18  -4.703  12.946  -0.508
  149   2HB   LYS  18          2HB       LYS  18  -4.012  12.023   0.811
  150   1HG   LYS  18          1HG       LYS  18  -6.005  12.228   2.147
  151   2HG   LYS  18          2HG       LYS  18  -6.647  13.510   1.139
  152   1HD   LYS  18          1HD       LYS  18  -6.988  11.960  -0.731
  153   2HD   LYS  18          2HD       LYS  18  -6.157  10.674   0.122
  154   1HE   LYS  18          1HE       LYS  18  -8.547  10.288   0.355
  155   2HE   LYS  18          2HE       LYS  18  -7.933  10.773   1.923
  156   1HZ   LYS  18          1HZ       LYS  18  -9.102  12.681   0.025
  157   2HZ   LYS  18          2HZ       LYS  18  -9.979  11.920   1.173
  158   3HZ   LYS  18          3HZ       LYS  18  -8.769  12.930   1.604
  159    H    ASN  19           H        ASN  19  -1.789  13.827   2.319
  160    HA   ASN  19           HA       ASN  19  -0.374  14.682  -0.064
  161   1HB   ASN  19          1HB       ASN  19   0.077  15.728   2.779
  162   2HB   ASN  19          2HB       ASN  19   1.227  15.969   1.478
  163   1HD2  ASN  19          2HD2      ASN  19  -2.091  16.542   2.520
  164   2HD2  ASN  19          1HD2      ASN  19  -2.389  17.969   1.584
  165    H    LEU  20           H        LEU  20  -1.033  12.178   1.784
  166    HA   LEU  20           HA       LEU  20   1.744  11.260   1.906
  167   1HB   LEU  20          1HB       LEU  20  -0.352  10.966   4.058
  168   2HB   LEU  20          2HB       LEU  20   1.120  10.018   3.996
  169    HG   LEU  20           HG       LEU  20   1.117  13.042   4.107
  170   1HD1  LEU  20          1HD1      LEU  20  -0.040  12.171   6.081
  171   2HD1  LEU  20          2HD1      LEU  20   1.339  11.098   6.423
  172   3HD1  LEU  20          3HD1      LEU  20   1.544  12.864   6.505
  173   1HD2  LEU  20          1HD2      LEU  20   3.251  10.932   4.467
  174   2HD2  LEU  20          2HD2      LEU  20   3.192  12.264   3.287
  175   3HD2  LEU  20          3HD2      LEU  20   3.447  12.615   5.013
  176    H    CYS  21           H        CYS  21   1.857   8.806   1.934
  177    HA   CYS  21           HA       CYS  21  -0.363   7.784   0.318
  178   1HB   CYS  21          1HB       CYS  21   2.452   6.707   0.280
  179   2HB   CYS  21          2HB       CYS  21   1.150   6.391  -0.851
  180    H    TYR  22           H        TYR  22  -1.641   6.460   1.566
  181    HA   TYR  22           HA       TYR  22  -0.431   5.131   3.855
  182   1HB   TYR  22          1HB       TYR  22  -2.687   5.130   4.609
  183   2HB   TYR  22          2HB       TYR  22  -2.747   6.501   3.519
  184    HD1  TYR  22           HD1      TYR  22  -3.256   2.786   3.524
  185    HD2  TYR  22           HD2      TYR  22  -4.375   6.561   1.850
  186    HE1  TYR  22           HE1      TYR  22  -5.105   1.657   2.192
  187    HE2  TYR  22           HE2      TYR  22  -6.220   5.419   0.525
  188    HH   TYR  22           HH       TYR  22  -6.706   1.905   0.774
  189    H    LYS  23           H        LYS  23  -0.225   2.911   4.084
  190    HA   LYS  23           HA       LYS  23  -1.157   1.314   1.804
  191   1HB   LYS  23          1HB       LYS  23   1.258   1.726   1.602
  192   2HB   LYS  23          2HB       LYS  23   1.519   1.088   3.213
  193   1HG   LYS  23          1HG       LYS  23   0.575  -1.116   2.495
  194   2HG   LYS  23          2HG       LYS  23   0.307  -0.478   0.885
  195   1HD   LYS  23          1HD       LYS  23   2.385  -1.653   0.745
  196   2HD   LYS  23          2HD       LYS  23   2.827   0.042   0.794
  197   1HE   LYS  23          1HE       LYS  23   3.440  -0.084   3.135
  198   2HE   LYS  23          2HE       LYS  23   2.687  -1.655   3.323
  199   1HZ   LYS  23          1HZ       LYS  23   5.006  -1.104   1.602
  200   2HZ   LYS  23          2HZ       LYS  23   5.070  -1.809   3.074
  201   3HZ   LYS  23          3HZ       LYS  23   4.322  -2.568   1.837
  202    H    MET  24           H        MET  24  -2.156  -0.622   2.311
  203    HA   MET  24           HA       MET  24  -2.346  -1.138   5.178
  204   1HB   MET  24          1HB       MET  24  -4.437  -0.367   3.787
  205   2HB   MET  24          2HB       MET  24  -4.383  -1.954   3.047
  206   1HG   MET  24          1HG       MET  24  -4.342  -1.744   6.069
  207   2HG   MET  24          2HG       MET  24  -5.862  -1.534   5.224
  208   1HE   MET  24          1HE       MET  24  -6.819  -3.534   6.514
  209   2HE   MET  24          2HE       MET  24  -7.382  -3.506   4.826
  210   3HE   MET  24          3HE       MET  24  -6.920  -5.049   5.585
  211    H    PHE  25           H        PHE  25  -1.618  -3.104   5.897
  212    HA   PHE  25           HA       PHE  25  -1.449  -5.257   3.922
  213   1HB   PHE  25          1HB       PHE  25   0.658  -3.763   5.340
  214   2HB   PHE  25          2HB       PHE  25   0.706  -5.446   5.827
  215    HD1  PHE  25           HD1      PHE  25   1.039  -3.143   2.982
  216    HD2  PHE  25           HD2      PHE  25   1.409  -7.160   4.299
  217    HE1  PHE  25           HE1      PHE  25   2.298  -3.714   0.887
  218    HE2  PHE  25           HE2      PHE  25   2.668  -7.731   2.204
  219    HZ   PHE  25           HZ       PHE  25   3.097  -6.001   0.523
  220    H    MET  26           H        MET  26  -1.653  -7.395   4.790
  221    HA   MET  26           HA       MET  26  -2.908  -7.359   7.402
  222   1HB   MET  26          1HB       MET  26  -3.027  -9.071   4.921
  223   2HB   MET  26          2HB       MET  26  -3.297  -9.903   6.440
  224   1HG   MET  26          1HG       MET  26  -5.469  -9.218   6.199
  225   2HG   MET  26          2HG       MET  26  -4.890  -7.674   6.792
  226   1HE   MET  26          1HE       MET  26  -7.375  -7.432   5.340
  227   2HE   MET  26          2HE       MET  26  -7.390  -7.362   3.561
  228   3HE   MET  26          3HE       MET  26  -7.197  -8.926   4.390
  229    H    VAL  27           H        VAL  27  -1.995  -8.321   9.191
  230    HA   VAL  27           HA       VAL  27   0.694  -9.140   9.060
  231    HB   VAL  27           HB       VAL  27  -1.427  -9.365  11.202
  232   1HG1  VAL  27          1HG1      VAL  27   1.466 -10.163  11.183
  233   2HG1  VAL  27          2HG1      VAL  27   0.763  -9.478  12.668
  234   3HG1  VAL  27          3HG1      VAL  27   0.069 -10.953  11.953
  235   1HG2  VAL  27          1HG2      VAL  27  -0.794  -7.064  10.463
  236   2HG2  VAL  27          2HG2      VAL  27  -0.398  -7.403  12.165
  237   3HG2  VAL  27          3HG2      VAL  27   0.886  -7.418  10.933
  238    H    ALA  28           H        ALA  28   0.393 -10.745   7.243
  239    HA   ALA  28           HA       ALA  28   0.391 -13.358   8.340
  240   1HB   ALA  28          1HB       ALA  28  -1.970 -12.491   6.630
  241   2HB   ALA  28          2HB       ALA  28  -1.525 -14.191   6.917
  242   3HB   ALA  28          3HB       ALA  28  -2.013 -13.156   8.281
  243    H    ALA  29           H        ALA  29   0.083 -11.220   5.453
  244    HA   ALA  29           HA       ALA  29   2.119 -12.910   4.173
  245   1HB   ALA  29          1HB       ALA  29  -0.277 -11.518   2.911
  246   2HB   ALA  29          2HB       ALA  29   1.016 -12.346   2.011
  247   3HB   ALA  29          3HB       ALA  29  -0.048 -13.273   3.095
  248    HA   PRO  30           HA       PRO  30   3.624  -8.668   4.610
  249   1HB   PRO  30          1HB       PRO  30   6.033  -9.257   5.758
  250   2HB   PRO  30          2HB       PRO  30   4.605  -8.844   6.686
  251   1HG   PRO  30          1HG       PRO  30   5.855 -11.493   6.287
  252   2HG   PRO  30          2HG       PRO  30   4.714 -10.992   7.520
  253   1HD   PRO  30          1HD       PRO  30   4.144 -12.567   5.191
  254   2HD   PRO  30          2HD       PRO  30   2.985 -11.968   6.361
  255    H    HIS  31           H        HIS  31   3.371  -9.622   2.207
  256    HA   HIS  31           HA       HIS  31   5.957  -8.991   1.107
  257   1HB   HIS  31          1HB       HIS  31   6.217 -11.364   1.372
  258   2HB   HIS  31          2HB       HIS  31   4.637 -11.681   0.686
  259    HD1  HIS  31           HD1      HIS  31   4.841 -12.604  -1.615
  260    HD2  HIS  31           HD2      HIS  31   7.817  -9.761  -0.803
  261    HE1  HIS  31           HE1      HIS  31   6.251 -12.420  -3.733
  262    H    VAL  32           H        VAL  32   2.544 -10.050   0.556
  263    HA   VAL  32           HA       VAL  32   2.520  -8.410  -1.866
  264    HB   VAL  32           HB       VAL  32   0.512 -10.415  -0.818
  265   1HG1  VAL  32          1HG1      VAL  32  -0.412  -8.668  -2.333
  266   2HG1  VAL  32          2HG1      VAL  32   0.759  -9.170  -3.577
  267   3HG1  VAL  32          3HG1      VAL  32  -0.492 -10.308  -3.021
  268   1HG2  VAL  32          1HG2      VAL  32   2.748 -10.712  -2.846
  269   2HG2  VAL  32          2HG2      VAL  32   2.539 -11.598  -1.316
  270   3HG2  VAL  32          3HG2      VAL  32   1.409 -11.871  -2.664
  271    HA   PRO  33           HA       PRO  33   0.340  -5.374   0.334
  272   1HB   PRO  33          1HB       PRO  33  -0.379  -3.768  -1.757
  273   2HB   PRO  33          2HB       PRO  33   1.199  -3.703  -0.996
  274   1HG   PRO  33          1HG       PRO  33   0.445  -4.873  -3.605
  275   2HG   PRO  33          2HG       PRO  33   2.035  -4.419  -3.023
  276   1HD   PRO  33          1HD       PRO  33   0.967  -7.075  -3.205
  277   2HD   PRO  33          2HD       PRO  33   2.511  -6.611  -2.517
  278    H    VAL  34           H        VAL  34  -1.745  -4.551   0.868
  279    HA   VAL  34           HA       VAL  34  -3.775  -6.341  -0.252
  280    HB   VAL  34           HB       VAL  34  -3.823  -4.665   2.265
  281   1HG1  VAL  34          1HG1      VAL  34  -6.006  -5.461   1.050
  282   2HG1  VAL  34          2HG1      VAL  34  -5.578  -7.049   1.730
  283   3HG1  VAL  34          3HG1      VAL  34  -5.845  -5.660   2.811
  284   1HG2  VAL  34          1HG2      VAL  34  -2.077  -6.574   2.095
  285   2HG2  VAL  34          2HG2      VAL  34  -3.148  -6.522   3.516
  286   3HG2  VAL  34          3HG2      VAL  34  -3.483  -7.662   2.191
  287    H    LYS  35           H        LYS  35  -3.432  -2.912   0.921
  288    HA   LYS  35           HA       LYS  35  -4.998  -2.113  -1.416
  289   1HB   LYS  35          1HB       LYS  35  -5.567  -1.295   1.447
  290   2HB   LYS  35          2HB       LYS  35  -6.268  -0.525   0.038
  291   1HG   LYS  35          1HG       LYS  35  -7.760  -2.221  -0.287
  292   2HG   LYS  35          2HG       LYS  35  -6.533  -3.455  -0.083
  293   1HD   LYS  35          1HD       LYS  35  -6.680  -3.234   2.386
  294   2HD   LYS  35          2HD       LYS  35  -7.846  -1.936   2.220
  295   1HE   LYS  35          1HE       LYS  35  -8.352  -4.683   1.006
  296   2HE   LYS  35          2HE       LYS  35  -8.760  -4.334   2.674
  297   1HZ   LYS  35          1HZ       LYS  35 -10.077  -2.456   1.845
  298   2HZ   LYS  35          2HZ       LYS  35  -9.776  -2.922   0.309
  299   3HZ   LYS  35          3HZ       LYS  35 -10.625  -3.897   1.306
  300    H    ARG  36           H        ARG  36  -4.806   0.333  -1.773
  301    HA   ARG  36           HA       ARG  36  -2.593   1.566  -0.513
  302   1HB   ARG  36          1HB       ARG  36  -2.370   0.860  -3.484
  303   2HB   ARG  36          2HB       ARG  36  -1.238   1.865  -2.601
  304   1HG   ARG  36          1HG       ARG  36  -0.744  -0.065  -1.067
  305   2HG   ARG  36          2HG       ARG  36  -1.846  -1.067  -1.991
  306   1HD   ARG  36          1HD       ARG  36  -0.435  -1.119  -3.888
  307   2HD   ARG  36          2HD       ARG  36   0.381   0.370  -3.454
  308    HE   ARG  36           HE       ARG  36   0.858  -1.616  -1.422
  309   1HH1  ARG  36          1HH1      ARG  36   1.771  -0.785  -4.717
  310   2HH1  ARG  36          2HH1      ARG  36   3.312  -1.572  -4.624
  311   1HH2  ARG  36          2HH2      ARG  36   2.890  -2.653  -1.298
  312   2HH2  ARG  36          1HH2      ARG  36   3.952  -2.641  -2.666
  313    H    GLY  37           H        GLY  37  -3.191   3.709  -0.375
  314   1HA   GLY  37          1HA       GLY  37  -4.406   5.021  -2.666
  315   2HA   GLY  37          2HA       GLY  37  -5.433   4.859  -1.255
  316    H    CYS  38           H        CYS  38  -5.292   7.334  -1.441
  317    HA   CYS  38           HA       CYS  38  -2.798   8.315  -0.285
  318   1HB   CYS  38          1HB       CYS  38  -5.038   9.705  -1.755
  319   2HB   CYS  38          2HB       CYS  38  -3.797  10.577  -0.877
  320    H    ILE  39           H        ILE  39  -3.118  10.077   1.452
  321    HA   ILE  39           HA       ILE  39  -5.621  10.059   2.837
  322    HB   ILE  39           HB       ILE  39  -4.433   7.888   3.465
  323   1HG1  ILE  39          1HG1      ILE  39  -4.953   9.476   5.936
  324   2HG1  ILE  39          2HG1      ILE  39  -6.243   9.391   4.753
  325   1HG2  ILE  39          1HG2      ILE  39  -2.173   8.824   3.683
  326   2HG2  ILE  39          2HG2      ILE  39  -2.716   9.806   5.065
  327   3HG2  ILE  39          3HG2      ILE  39  -2.714   8.029   5.181
  328   1HD1  ILE  39          1HD1      ILE  39  -4.779   6.949   5.855
  329   2HD1  ILE  39          2HD1      ILE  39  -6.344   7.546   6.458
  330   3HD1  ILE  39          3HD1      ILE  39  -6.206   6.940   4.790
  331    H    ASP  40           H        ASP  40  -5.379  11.442   4.926
  332    HA   ASP  40           HA       ASP  40  -3.558  13.588   4.208
  333   1HB   ASP  40          1HB       ASP  40  -5.658  13.933   6.328
  334   2HB   ASP  40          2HB       ASP  40  -5.096  15.083   5.132
  335    H    VAL  41           H        VAL  41  -5.070  12.028   7.146
  336    HA   VAL  41           HA       VAL  41  -2.565  12.562   8.582
  337    HB   VAL  41           HB       VAL  41  -3.845  12.594  10.588
  338   1HG1  VAL  41          1HG1      VAL  41  -3.848  14.633   9.082
  339   2HG1  VAL  41          2HG1      VAL  41  -5.484  14.153   8.570
  340   3HG1  VAL  41          3HG1      VAL  41  -5.166  14.554  10.275
  341   1HG2  VAL  41          1HG2      VAL  41  -6.163  11.657   8.875
  342   2HG2  VAL  41          2HG2      VAL  41  -5.418  10.830  10.264
  343   3HG2  VAL  41          3HG2      VAL  41  -6.360  12.320  10.515
  344    H    CYS  42           H        CYS  42  -1.357  10.859   9.300
  345    HA   CYS  42           HA       CYS  42  -1.931   8.307   8.333
  346   1HB   CYS  42          1HB       CYS  42   0.329   9.287   8.891
  347   2HB   CYS  42          2HB       CYS  42  -0.032   8.992  10.581
  348    HA   PRO  43           HA       PRO  43  -4.704   7.212  11.570
  349   1HB   PRO  43          1HB       PRO  43  -5.436   4.765  10.600
  350   2HB   PRO  43          2HB       PRO  43  -6.198   6.261  10.099
  351   1HG   PRO  43          1HG       PRO  43  -4.260   4.583   8.626
  352   2HG   PRO  43          2HG       PRO  43  -5.338   5.818   8.005
  353   1HD   PRO  43          1HD       PRO  43  -2.516   6.071   8.451
  354   2HD   PRO  43          2HD       PRO  43  -3.614   7.337   7.941
  355    H    LYS  44           H        LYS  44  -5.155   5.147  12.994
  356    HA   LYS  44           HA       LYS  44  -2.517   4.537  14.026
  357   1HB   LYS  44          1HB       LYS  44  -4.495   5.337  15.431
  358   2HB   LYS  44          2HB       LYS  44  -5.193   3.748  15.193
  359   1HG   LYS  44          1HG       LYS  44  -3.381   2.653  16.326
  360   2HG   LYS  44          2HG       LYS  44  -2.347   4.064  16.218
  361   1HD   LYS  44          1HD       LYS  44  -3.844   5.306  17.771
  362   2HD   LYS  44          2HD       LYS  44  -4.928   3.931  17.849
  363   1HE   LYS  44          1HE       LYS  44  -3.088   2.533  18.814
  364   2HE   LYS  44          2HE       LYS  44  -2.001   3.904  18.732
  365   1HZ   LYS  44          1HZ       LYS  44  -4.492   3.811  20.288
  366   2HZ   LYS  44          2HZ       LYS  44  -2.983   3.692  20.898
  367   3HZ   LYS  44          3HZ       LYS  44  -3.479   5.089  20.211
  368    H    SER  45           H        SER  45  -2.026   2.240  14.697
  369    HA   SER  45           HA       SER  45  -2.919   0.511  12.539
  370   1HB   SER  45          1HB       SER  45  -0.418   0.651  14.230
  371   2HB   SER  45          2HB       SER  45  -0.860  -0.878  13.497
  372    HG   SER  45           HG       SER  45   0.580   0.482  12.171
  373    H    SER  46           H        SER  46  -3.099  -1.910  13.163
  374    HA   SER  46           HA       SER  46  -4.147  -2.102  15.877
  375   1HB   SER  46          1HB       SER  46  -6.070  -3.208  15.162
  376   2HB   SER  46          2HB       SER  46  -5.835  -2.073  13.848
  377    HG   SER  46           HG       SER  46  -6.250  -4.376  13.232
  378    H    LEU  47           H        LEU  47  -4.579  -4.773  16.166
  379    HA   LEU  47           HA       LEU  47  -1.898  -5.827  15.955
  380   1HB   LEU  47          1HB       LEU  47  -4.372  -6.985  17.246
  381   2HB   LEU  47          2HB       LEU  47  -2.736  -7.593  17.405
  382    HG   LEU  47           HG       LEU  47  -3.684  -4.878  18.362
  383   1HD1  LEU  47          1HD1      LEU  47  -4.707  -6.684  19.646
  384   2HD1  LEU  47          2HD1      LEU  47  -3.104  -7.401  19.938
  385   3HD1  LEU  47          3HD1      LEU  47  -3.503  -5.806  20.621
  386   1HD2  LEU  47          1HD2      LEU  47  -1.016  -6.283  18.572
  387   2HD2  LEU  47          2HD2      LEU  47  -1.378  -4.700  17.844
  388   3HD2  LEU  47          3HD2      LEU  47  -1.487  -4.914  19.607
  389    H    LEU  48           H        LEU  48  -4.902  -5.920  14.214
  390    HA   LEU  48           HA       LEU  48  -4.272  -8.486  13.008
  391   1HB   LEU  48          1HB       LEU  48  -6.565  -8.000  13.677
  392   2HB   LEU  48          2HB       LEU  48  -6.594  -6.588  12.639
  393    HG   LEU  48           HG       LEU  48  -6.182  -8.161  10.680
  394   1HD1  LEU  48          1HD1      LEU  48  -6.809 -10.229  12.801
  395   2HD1  LEU  48          2HD1      LEU  48  -6.882 -10.528  11.048
  396   3HD1  LEU  48          3HD1      LEU  48  -5.335 -10.095  11.813
  397   1HD2  LEU  48          1HD2      LEU  48  -8.756  -8.434  12.256
  398   2HD2  LEU  48          2HD2      LEU  48  -8.349  -7.145  11.097
  399   3HD2  LEU  48          3HD2      LEU  48  -8.547  -8.821  10.531
  400    H    VAL  49           H        VAL  49  -5.115  -5.171  11.767
  401    HA   VAL  49           HA       VAL  49  -3.351  -5.742   9.501
  402    HB   VAL  49           HB       VAL  49  -4.565  -3.746   8.522
  403   1HG1  VAL  49          1HG1      VAL  49  -5.794  -6.415   9.126
  404   2HG1  VAL  49          2HG1      VAL  49  -6.769  -5.183   8.289
  405   3HG1  VAL  49          3HG1      VAL  49  -5.235  -5.739   7.578
  406   1HG2  VAL  49          1HG2      VAL  49  -5.391  -2.967  10.809
  407   2HG2  VAL  49          2HG2      VAL  49  -6.582  -2.962   9.486
  408   3HG2  VAL  49          3HG2      VAL  49  -6.604  -4.265  10.698
  409    H    LYS  50           H        LYS  50  -1.920  -3.984   8.735
  410    HA   LYS  50           HA       LYS  50  -1.231  -2.110  10.880
  411   1HB   LYS  50          1HB       LYS  50   0.279  -4.106  10.914
  412   2HB   LYS  50          2HB       LYS  50   0.780  -3.718   9.281
  413   1HG   LYS  50          1HG       LYS  50   1.476  -1.414  10.108
  414   2HG   LYS  50          2HG       LYS  50   1.104  -1.935  11.739
  415   1HD   LYS  50          1HD       LYS  50   3.053  -3.447   9.946
  416   2HD   LYS  50          2HD       LYS  50   3.565  -2.147  11.003
  417   1HE   LYS  50          1HE       LYS  50   2.512  -3.416  12.952
  418   2HE   LYS  50          2HE       LYS  50   2.212  -4.750  11.856
  419   1HZ   LYS  50          1HZ       LYS  50   4.581  -4.832  11.418
  420   2HZ   LYS  50          2HZ       LYS  50   4.851  -3.607  12.465
  421   3HZ   LYS  50          3HZ       LYS  50   4.275  -5.036  13.009
  422    H    TYR  51           H        TYR  51  -1.068  -0.031  10.195
  423    HA   TYR  51           HA       TYR  51  -1.013   0.360   7.280
  424   1HB   TYR  51          1HB       TYR  51  -2.167   1.857   9.705
  425   2HB   TYR  51          2HB       TYR  51  -2.038   2.642   8.144
  426    HD1  TYR  51           HD1      TYR  51  -3.443   1.914   6.245
  427    HD2  TYR  51           HD2      TYR  51  -3.842   0.145  10.121
  428    HE1  TYR  51           HE1      TYR  51  -5.690   0.932   5.574
  429    HE2  TYR  51           HE2      TYR  51  -6.088  -0.830   9.436
  430    HH   TYR  51           HH       TYR  51  -7.533  -1.078   7.856
  431    H    VAL  52           H        VAL  52   0.719   1.393   6.409
  432    HA   VAL  52           HA       VAL  52   2.386   2.946   8.265
  433    HB   VAL  52           HB       VAL  52   3.265   1.168   5.981
  434   1HG1  VAL  52          1HG1      VAL  52   4.869   2.883   7.906
  435   2HG1  VAL  52          2HG1      VAL  52   5.563   1.672   6.802
  436   3HG1  VAL  52          3HG1      VAL  52   4.721   3.095   6.145
  437   1HG2  VAL  52          1HG2      VAL  52   3.506   0.841   8.989
  438   2HG2  VAL  52          2HG2      VAL  52   2.582  -0.182   7.863
  439   3HG2  VAL  52          3HG2      VAL  52   4.360  -0.162   7.792
  440    H    CYS  53           H        CYS  53   2.600   5.053   7.711
  441    HA   CYS  53           HA       CYS  53   1.766   5.758   5.001
  442   1HB   CYS  53          1HB       CYS  53   2.050   7.702   7.277
  443   2HB   CYS  53          2HB       CYS  53   1.130   7.869   5.795
  444    H    CYS  54           H        CYS  54   3.179   7.013   3.684
  445    HA   CYS  54           HA       CYS  54   5.739   7.732   4.866
  446   1HB   CYS  54          1HB       CYS  54   6.758   6.848   2.629
  447   2HB   CYS  54          2HB       CYS  54   6.524   5.782   4.001
  448    H    ASN  55           H        ASN  55   6.657   9.600   3.852
  449    HA   ASN  55           HA       ASN  55   4.769  10.956   2.134
  450   1HB   ASN  55          1HB       ASN  55   6.097  12.995   2.685
  451   2HB   ASN  55          2HB       ASN  55   5.602  12.165   4.147
  452   1HD2  ASN  55          2HD2      ASN  55   7.796  13.989   3.753
  453   2HD2  ASN  55          1HD2      ASN  55   9.261  13.167   4.173
  454    H    THR  56           H        THR  56   6.079   8.869   0.811
  455    HA   THR  56           HA       THR  56   8.008  10.320  -0.871
  456    HB   THR  56           HB       THR  56   8.950   7.799  -1.057
  457    HG1  THR  56           HG1      THR  56   8.586   6.821   1.081
  458   1HG2  THR  56          1HG2      THR  56  10.243   9.767  -0.112
  459   2HG2  THR  56          2HG2      THR  56   9.434   9.492   1.450
  460   3HG2  THR  56          3HG2      THR  56  10.527   8.255   0.783
  461    H    ASP  57           H        ASP  57   8.097   9.627  -3.106
  462    HA   ASP  57           HA       ASP  57   5.502   9.185  -4.067
  463   1HB   ASP  57          1HB       ASP  57   8.225   9.113  -5.449
  464   2HB   ASP  57          2HB       ASP  57   6.702   9.042  -6.312
  465    H    LYS  58           H        LYS  58   4.645   7.267  -5.105
  466    HA   LYS  58           HA       LYS  58   4.298   5.057  -5.078
  467   1HB   LYS  58          1HB       LYS  58   5.884   3.845  -6.550
  468   2HB   LYS  58          2HB       LYS  58   5.348   5.375  -7.213
  469   1HG   LYS  58          1HG       LYS  58   7.440   6.471  -6.546
  470   2HG   LYS  58          2HG       LYS  58   7.961   5.046  -5.670
  471   1HD   LYS  58          1HD       LYS  58   7.316   4.858  -8.631
  472   2HD   LYS  58          2HD       LYS  58   8.874   5.470  -8.110
  473   1HE   LYS  58          1HE       LYS  58   9.242   3.370  -6.781
  474   2HE   LYS  58          2HE       LYS  58   7.696   2.757  -7.333
  475   1HZ   LYS  58          1HZ       LYS  58   8.513   2.902  -9.590
  476   2HZ   LYS  58          2HZ       LYS  58   9.955   3.468  -9.073
  477   3HZ   LYS  58          3HZ       LYS  58   9.488   1.952  -8.688
  478    H    CYS  59           H        CYS  59   4.929   5.701  -2.532
  479    HA   CYS  59           HA       CYS  59   7.070   3.883  -1.755
  480   1HB   CYS  59          1HB       CYS  59   7.114   4.969   0.341
  481   2HB   CYS  59          2HB       CYS  59   7.069   6.217  -0.888
  482    H    ASN  60           H        ASN  60   3.559   4.611  -1.433
  483    HA   ASN  60           HA       ASN  60   3.132   2.439   0.337
  484   1HB   ASN  60          1HB       ASN  60   0.754   3.032   0.124
  485   2HB   ASN  60          2HB       ASN  60   1.685   4.510   0.269
  486   1HD2  ASN  60          2HD2      ASN  60  -0.925   4.142  -0.870
  487   2HD2  ASN  60          1HD2      ASN  60  -0.871   4.648  -2.526
  488   1H    HOH  61          1H        HOH  61  -2.030  -8.969   2.924
  489   2H    HOH  61          2H        HOH  61  -1.441  -9.915   3.948
  490   1H    HOH  62          1H        HOH  62   4.098 -14.795   4.202
  491   2H    HOH  62          2H        HOH  62   4.279 -15.093   2.730
  Start of MODEL   13
    1    H    LEU   1           H        LEU   1   2.236  15.431  -5.450
    2    HA   LEU   1           HA       LEU   1   3.527  13.636  -5.082
    3   1HB   LEU   1          1HB       LEU   1   2.440  13.928  -2.583
    4   2HB   LEU   1          2HB       LEU   1   1.905  12.317  -3.020
    5    HG   LEU   1           HG       LEU   1   4.366  11.842  -3.613
    6   1HD1  LEU   1          1HD1      LEU   1   4.734  14.354  -1.957
    7   2HD1  LEU   1          2HD1      LEU   1   6.022  13.205  -2.395
    8   3HD1  LEU   1          3HD1      LEU   1   5.180  14.126  -3.665
    9   1HD2  LEU   1          1HD2      LEU   1   3.529  12.305  -0.737
   10   2HD2  LEU   1          2HD2      LEU   1   3.256  10.838  -1.708
   11   3HD2  LEU   1          3HD2      LEU   1   4.912  11.317  -1.265
   12    H    LYS   2           H        LYS   2   3.489  11.433  -5.881
   13    HA   LYS   2           HA       LYS   2   0.842  10.594  -6.819
   14   1HB   LYS   2          1HB       LYS   2   1.881  11.715  -8.690
   15   2HB   LYS   2          2HB       LYS   2   3.372  10.820  -8.471
   16   1HG   LYS   2          1HG       LYS   2   0.905   9.153  -8.774
   17   2HG   LYS   2          2HG       LYS   2   1.376  10.064 -10.195
   18   1HD   LYS   2          1HD       LYS   2   3.642   8.697  -8.837
   19   2HD   LYS   2          2HD       LYS   2   2.426   7.602  -9.464
   20   1HE   LYS   2          1HE       LYS   2   4.051   7.963 -11.229
   21   2HE   LYS   2          2HE       LYS   2   2.578   8.788 -11.701
   22   1HZ   LYS   2          1HZ       LYS   2   4.832  10.106 -10.355
   23   2HZ   LYS   2          2HZ       LYS   2   4.583  10.130 -11.968
   24   3HZ   LYS   2          3HZ       LYS   2   3.505  10.836 -10.965
   25    H    CYS   3           H        CYS   3   0.379   8.598  -6.080
   26    HA   CYS   3           HA       CYS   3   2.665   6.825  -5.615
   27   1HB   CYS   3          1HB       CYS   3   0.400   7.547  -3.829
   28   2HB   CYS   3          2HB       CYS   3   0.885   5.863  -3.850
   29    H    LYS   4           H        LYS   4   1.564   4.416  -5.321
   30    HA   LYS   4           HA       LYS   4   0.032   4.079  -7.777
   31   1HB   LYS   4          1HB       LYS   4   1.756   2.257  -6.101
   32   2HB   LYS   4          2HB       LYS   4   0.641   1.609  -7.287
   33   1HG   LYS   4          1HG       LYS   4   2.562   3.828  -8.063
   34   2HG   LYS   4          2HG       LYS   4   3.118   2.167  -8.008
   35   1HD   LYS   4          1HD       LYS   4   1.327   1.493  -9.601
   36   2HD   LYS   4          2HD       LYS   4   0.715   3.135  -9.628
   37   1HE   LYS   4          1HE       LYS   4   2.902   3.937 -10.547
   38   2HE   LYS   4          2HE       LYS   4   3.519   2.298 -10.514
   39   1HZ   LYS   4          1HZ       LYS   4   1.182   3.188 -12.057
   40   2HZ   LYS   4          2HZ       LYS   4   2.664   2.882 -12.670
   41   3HZ   LYS   4          3HZ       LYS   4   1.776   1.667 -12.036
   42    H    LYS   5           H        LYS   5  -1.783   2.473  -7.775
   43    HA   LYS   5           HA       LYS   5  -3.326   2.844  -5.318
   44   1HB   LYS   5          1HB       LYS   5  -4.300   2.057  -8.079
   45   2HB   LYS   5          2HB       LYS   5  -5.287   2.481  -6.694
   46   1HG   LYS   5          1HG       LYS   5  -3.937   4.744  -6.710
   47   2HG   LYS   5          2HG       LYS   5  -3.482   4.286  -8.339
   48   1HD   LYS   5          1HD       LYS   5  -5.434   5.539  -8.721
   49   2HD   LYS   5          2HD       LYS   5  -6.056   3.901  -8.718
   50   1HE   LYS   5          1HE       LYS   5  -6.742   4.129  -6.346
   51   2HE   LYS   5          2HE       LYS   5  -6.035   5.731  -6.269
   52   1HZ   LYS   5          1HZ       LYS   5  -7.579   6.393  -8.023
   53   2HZ   LYS   5          2HZ       LYS   5  -8.275   4.916  -7.987
   54   3HZ   LYS   5          3HZ       LYS   5  -8.358   5.889  -6.678
   55    H    LEU   6           H        LEU   6  -5.192   0.719  -5.771
   56    HA   LEU   6           HA       LEU   6  -3.980  -1.329  -4.412
   57   1HB   LEU   6          1HB       LEU   6  -6.427  -1.220  -6.161
   58   2HB   LEU   6          2HB       LEU   6  -5.952  -2.685  -5.324
   59    HG   LEU   6           HG       LEU   6  -5.943  -1.145  -3.195
   60   1HD1  LEU   6          1HD1      LEU   6  -7.481   0.480  -5.203
   61   2HD1  LEU   6          2HD1      LEU   6  -7.903   0.531  -3.475
   62   3HD1  LEU   6          3HD1      LEU   6  -6.270   1.001  -4.006
   63   1HD2  LEU   6          1HD2      LEU   6  -8.453  -2.161  -4.552
   64   2HD2  LEU   6          2HD2      LEU   6  -7.398  -3.042  -3.422
   65   3HD2  LEU   6          3HD2      LEU   6  -8.356  -1.656  -2.848
   66    H    VAL   7           H        VAL   7  -4.382  -0.865  -7.965
   67    HA   VAL   7           HA       VAL   7  -2.776  -3.273  -8.376
   68    HB   VAL   7           HB       VAL   7  -4.316  -1.582 -10.354
   69   1HG1  VAL   7          1HG1      VAL   7  -2.446  -2.930 -11.297
   70   2HG1  VAL   7          2HG1      VAL   7  -3.210  -4.395 -10.637
   71   3HG1  VAL   7          3HG1      VAL   7  -4.047  -3.440 -11.884
   72   1HG2  VAL   7          1HG2      VAL   7  -5.115  -4.099  -8.863
   73   2HG2  VAL   7          2HG2      VAL   7  -5.905  -2.505  -8.812
   74   3HG2  VAL   7          3HG2      VAL   7  -5.965  -3.481 -10.299
   75    HA   PRO   8           HA       PRO   8   0.636  -0.715  -9.182
   76   1HB   PRO   8          1HB       PRO   8   2.382  -2.624 -10.062
   77   2HB   PRO   8          2HB       PRO   8   2.097  -2.296  -8.365
   78   1HG   PRO   8          1HG       PRO   8   1.146  -4.569  -9.998
   79   2HG   PRO   8          2HG       PRO   8   1.239  -4.434  -8.254
   80   1HD   PRO   8          1HD       PRO   8  -1.122  -4.215  -9.868
   81   2HD   PRO   8          2HD       PRO   8  -1.009  -3.966  -8.137
   82    H    LEU   9           H        LEU   9  -1.217  -0.157 -10.957
   83    HA   LEU   9           HA       LEU   9   0.390  -0.069 -13.381
   84   1HB   LEU   9          1HB       LEU   9  -2.285  -1.383 -13.107
   85   2HB   LEU   9          2HB       LEU   9  -1.878  -0.556 -14.598
   86    HG   LEU   9           HG       LEU   9   0.011  -2.605 -13.470
   87   1HD1  LEU   9          1HD1      LEU   9  -2.518  -3.187 -15.028
   88   2HD1  LEU   9          2HD1      LEU   9  -1.163  -4.328 -14.857
   89   3HD1  LEU   9          3HD1      LEU   9  -2.062  -3.792 -13.417
   90   1HD2  LEU   9          1HD2      LEU   9   0.768  -1.218 -15.334
   91   2HD2  LEU   9          2HD2      LEU   9   0.595  -2.921 -15.824
   92   3HD2  LEU   9          3HD2      LEU   9  -0.638  -1.728 -16.298
   93    H    PHE  10           H        PHE  10  -2.583   0.928 -11.590
   94    HA   PHE  10           HA       PHE  10  -2.522   3.446 -13.061
   95   1HB   PHE  10          1HB       PHE  10  -4.467   1.853 -11.337
   96   2HB   PHE  10          2HB       PHE  10  -4.732   3.578 -11.497
   97    HD1  PHE  10           HD1      PHE  10  -4.649   0.381 -13.308
   98    HD2  PHE  10           HD2      PHE  10  -5.537   4.524 -13.554
   99    HE1  PHE  10           HE1      PHE  10  -5.848  -0.004 -15.480
  100    HE2  PHE  10           HE2      PHE  10  -6.735   4.138 -15.725
  101    HZ   PHE  10           HZ       PHE  10  -6.876   1.879 -16.662
  102    H    SER  11           H        SER  11  -2.034   5.404 -12.101
  103    HA   SER  11           HA       SER  11  -1.412   5.236  -9.255
  104   1HB   SER  11          1HB       SER  11   0.151   7.266  -9.901
  105   2HB   SER  11          2HB       SER  11   0.683   5.623 -10.195
  106    HG   SER  11           HG       SER  11  -0.440   7.481 -12.105
  107    H    LYS  12           H        LYS  12  -1.923   7.142  -7.950
  108    HA   LYS  12           HA       LYS  12  -3.682   9.057  -9.302
  109   1HB   LYS  12          1HB       LYS  12  -5.264   7.657  -8.310
  110   2HB   LYS  12          2HB       LYS  12  -4.276   7.354  -6.896
  111   1HG   LYS  12          1HG       LYS  12  -4.604   9.664  -6.105
  112   2HG   LYS  12          2HG       LYS  12  -5.452  10.089  -7.578
  113   1HD   LYS  12          1HD       LYS  12  -7.286   8.546  -7.043
  114   2HD   LYS  12          2HD       LYS  12  -6.409   7.911  -5.665
  115   1HE   LYS  12          1HE       LYS  12  -8.043   9.512  -4.833
  116   2HE   LYS  12          2HE       LYS  12  -6.451  10.215  -4.622
  117   1HZ   LYS  12          1HZ       LYS  12  -8.104  10.754  -6.985
  118   2HZ   LYS  12          2HZ       LYS  12  -8.156  11.680  -5.641
  119   3HZ   LYS  12          3HZ       LYS  12  -6.770  11.561  -6.497
  120    H    THR  13           H        THR  13  -3.496  11.193  -8.600
  121    HA   THR  13           HA       THR  13  -1.193  11.659  -6.851
  122    HB   THR  13           HB       THR  13  -2.719  13.599  -8.660
  123    HG1  THR  13           HG1      THR  13  -0.471  11.749  -8.995
  124   1HG2  THR  13          1HG2      THR  13  -0.969  14.416  -6.877
  125   2HG2  THR  13          2HG2      THR  13   0.232  13.603  -7.907
  126   3HG2  THR  13          3HG2      THR  13  -0.742  14.940  -8.562
  127    H    CYS  14           H        CYS  14  -1.458  12.151  -4.774
  128    HA   CYS  14           HA       CYS  14  -3.952  12.396  -3.622
  129   1HB   CYS  14          1HB       CYS  14  -1.454  13.582  -2.430
  130   2HB   CYS  14          2HB       CYS  14  -2.841  12.900  -1.604
  131    HA   PRO  15           HA       PRO  15  -4.679  16.563  -4.882
  132   1HB   PRO  15          1HB       PRO  15  -7.305  16.689  -4.135
  133   2HB   PRO  15          2HB       PRO  15  -6.780  16.074  -5.689
  134   1HG   PRO  15          1HG       PRO  15  -7.748  14.574  -3.333
  135   2HG   PRO  15          2HG       PRO  15  -7.627  14.043  -4.998
  136   1HD   PRO  15          1HD       PRO  15  -5.860  13.358  -2.846
  137   2HD   PRO  15          2HD       PRO  15  -5.674  12.922  -4.533
  138    H    ALA  16           H        ALA  16  -5.995  18.539  -3.783
  139    HA   ALA  16           HA       ALA  16  -4.413  19.239  -1.633
  140   1HB   ALA  16          1HB       ALA  16  -7.190  20.203  -2.433
  141   2HB   ALA  16          2HB       ALA  16  -6.086  21.055  -1.327
  142   3HB   ALA  16          3HB       ALA  16  -5.639  20.835  -3.036
  143    H    GLY  17           H        GLY  17  -4.482  18.891   0.556
  144   1HA   GLY  17          1HA       GLY  17  -5.831  18.593   2.529
  145   2HA   GLY  17          2HA       GLY  17  -6.886  17.534   1.615
  146    H    LYS  18           H        LYS  18  -4.889  16.017   0.172
  147    HA   LYS  18           HA       LYS  18  -3.686  14.575   2.431
  148   1HB   LYS  18          1HB       LYS  18  -4.599  13.453  -0.234
  149   2HB   LYS  18          2HB       LYS  18  -3.943  12.543   1.112
  150   1HG   LYS  18          1HG       LYS  18  -5.851  12.995   2.500
  151   2HG   LYS  18          2HG       LYS  18  -6.405  14.295   1.463
  152   1HD   LYS  18          1HD       LYS  18  -6.970  12.708  -0.326
  153   2HD   LYS  18          2HD       LYS  18  -6.250  11.381   0.564
  154   1HE   LYS  18          1HE       LYS  18  -7.940  11.677   2.384
  155   2HE   LYS  18          2HE       LYS  18  -8.655  13.016   1.508
  156   1HZ   LYS  18          1HZ       LYS  18  -8.463  10.256   0.517
  157   2HZ   LYS  18          2HZ       LYS  18  -9.816  10.973   1.086
  158   3HZ   LYS  18          3HZ       LYS  18  -9.131  11.504  -0.298
  159    H    ASN  19           H        ASN  19  -1.503  14.113   2.388
  160    HA   ASN  19           HA       ASN  19  -0.113  14.683  -0.080
  161   1HB   ASN  19          1HB       ASN  19   0.407  16.028   2.610
  162   2HB   ASN  19          2HB       ASN  19   1.673  15.904   1.405
  163   1HD2  ASN  19          2HD2      ASN  19  -1.407  17.287   2.243
  164   2HD2  ASN  19          1HD2      ASN  19  -1.484  18.503   1.011
  165    H    LEU  20           H        LEU  20  -0.903  12.344   1.799
  166    HA   LEU  20           HA       LEU  20   1.820  11.317   2.149
  167   1HB   LEU  20          1HB       LEU  20  -0.470  11.204   4.105
  168   2HB   LEU  20          2HB       LEU  20   0.879  10.088   4.168
  169    HG   LEU  20           HG       LEU  20   1.240  13.089   4.273
  170   1HD1  LEU  20          1HD1      LEU  20  -0.205  12.436   6.126
  171   2HD1  LEU  20          2HD1      LEU  20   0.955  11.173   6.604
  172   3HD1  LEU  20          3HD1      LEU  20   1.415  12.890   6.709
  173   1HD2  LEU  20          1HD2      LEU  20   3.036  10.729   4.849
  174   2HD2  LEU  20          2HD2      LEU  20   3.271  12.048   3.677
  175   3HD2  LEU  20          3HD2      LEU  20   3.391  12.377   5.423
  176    H    CYS  21           H        CYS  21   1.820   8.849   2.237
  177    HA   CYS  21           HA       CYS  21  -0.300   7.879   0.460
  178   1HB   CYS  21          1HB       CYS  21   2.632   7.144   0.525
  179   2HB   CYS  21          2HB       CYS  21   1.420   6.246  -0.368
  180    H    TYR  22           H        TYR  22  -1.529   6.245   1.347
  181    HA   TYR  22           HA       TYR  22  -0.467   4.975   3.773
  182   1HB   TYR  22          1HB       TYR  22  -2.744   4.994   4.461
  183   2HB   TYR  22          2HB       TYR  22  -2.747   6.399   3.414
  184    HD1  TYR  22           HD1      TYR  22  -3.366   2.706   3.336
  185    HD2  TYR  22           HD2      TYR  22  -4.282   6.532   1.654
  186    HE1  TYR  22           HE1      TYR  22  -5.195   1.653   1.917
  187    HE2  TYR  22           HE2      TYR  22  -6.107   5.466   0.241
  188    HH   TYR  22           HH       TYR  22  -6.687   1.962   0.391
  189    H    LYS  23           H        LYS  23  -0.638   2.692   4.051
  190    HA   LYS  23           HA       LYS  23  -1.485   1.190   1.701
  191   1HB   LYS  23          1HB       LYS  23   0.524   0.033   1.422
  192   2HB   LYS  23          2HB       LYS  23   1.022   1.702   1.614
  193   1HG   LYS  23          1HG       LYS  23   1.283   1.166   4.145
  194   2HG   LYS  23          2HG       LYS  23   1.133  -0.520   3.694
  195   1HD   LYS  23          1HD       LYS  23   3.015   0.285   1.869
  196   2HD   LYS  23          2HD       LYS  23   3.377   1.392   3.179
  197   1HE   LYS  23          1HE       LYS  23   4.128  -0.286   4.582
  198   2HE   LYS  23          2HE       LYS  23   2.943  -1.445   4.012
  199   1HZ   LYS  23          1HZ       LYS  23   4.241  -1.643   1.978
  200   2HZ   LYS  23          2HZ       LYS  23   5.366  -0.618   2.570
  201   3HZ   LYS  23          3HZ       LYS  23   5.115  -2.061   3.293
  202    H    MET  24           H        MET  24  -2.554  -0.688   2.223
  203    HA   MET  24           HA       MET  24  -2.635  -1.259   5.082
  204   1HB   MET  24          1HB       MET  24  -4.751  -0.517   3.687
  205   2HB   MET  24          2HB       MET  24  -4.694  -2.127   2.997
  206   1HG   MET  24          1HG       MET  24  -4.996  -3.169   5.176
  207   2HG   MET  24          2HG       MET  24  -4.740  -1.650   6.010
  208   1HE   MET  24          1HE       MET  24  -6.799  -3.887   3.971
  209   2HE   MET  24          2HE       MET  24  -7.675  -3.927   5.520
  210   3HE   MET  24          3HE       MET  24  -8.467  -3.272   4.066
  211    H    PHE  25           H        PHE  25  -1.914  -3.232   5.797
  212    HA   PHE  25           HA       PHE  25  -1.591  -5.317   3.757
  213   1HB   PHE  25          1HB       PHE  25   0.224  -4.172   5.920
  214   2HB   PHE  25          2HB       PHE  25   0.400  -5.869   5.518
  215    HD1  PHE  25           HD1      PHE  25   0.148  -2.584   3.748
  216    HD2  PHE  25           HD2      PHE  25   1.975  -6.410   3.931
  217    HE1  PHE  25           HE1      PHE  25   1.624  -1.973   1.812
  218    HE2  PHE  25           HE2      PHE  25   3.451  -5.798   1.995
  219    HZ   PHE  25           HZ       PHE  25   3.257  -3.587   0.959
  220    H    MET  26           H        MET  26  -1.250  -7.559   4.872
  221    HA   MET  26           HA       MET  26  -3.140  -7.663   7.094
  222   1HB   MET  26          1HB       MET  26  -2.669  -9.349   4.637
  223   2HB   MET  26          2HB       MET  26  -3.129 -10.218   6.088
  224   1HG   MET  26          1HG       MET  26  -5.111  -9.553   4.694
  225   2HG   MET  26          2HG       MET  26  -5.180  -8.891   6.316
  226   1HE   MET  26          1HE       MET  26  -6.923  -7.873   4.099
  227   2HE   MET  26          2HE       MET  26  -6.907  -6.897   5.588
  228   3HE   MET  26          3HE       MET  26  -6.720  -6.107   4.004
  229    H    VAL  27           H        VAL  27  -2.523  -8.668   8.999
  230    HA   VAL  27           HA       VAL  27   0.220  -9.173   9.386
  231    HB   VAL  27           HB       VAL  27  -1.406  -8.324  11.067
  232   1HG1  VAL  27          1HG1      VAL  27  -3.076 -10.272  10.339
  233   2HG1  VAL  27          2HG1      VAL  27  -2.273 -11.118  11.684
  234   3HG1  VAL  27          3HG1      VAL  27  -3.100  -9.569  11.974
  235   1HG2  VAL  27          1HG2      VAL  27   0.139 -10.825  11.831
  236   2HG2  VAL  27          2HG2      VAL  27   0.774  -9.164  11.766
  237   3HG2  VAL  27          3HG2      VAL  27  -0.465  -9.597  12.969
  238    H    ALA  28           H        ALA  28   0.508 -10.704   7.521
  239    HA   ALA  28           HA       ALA  28   0.636 -13.343   8.496
  240   1HB   ALA  28          1HB       ALA  28  -1.562 -12.670   6.510
  241   2HB   ALA  28          2HB       ALA  28  -0.908 -14.313   6.710
  242   3HB   ALA  28          3HB       ALA  28  -1.715 -13.504   8.075
  243    H    ALA  29           H        ALA  29   0.499 -11.112   5.669
  244    HA   ALA  29           HA       ALA  29   2.903 -12.476   4.668
  245   1HB   ALA  29          1HB       ALA  29   0.570 -11.313   3.093
  246   2HB   ALA  29          2HB       ALA  29   2.079 -11.930   2.380
  247   3HB   ALA  29          3HB       ALA  29   0.989 -13.036   3.250
  248    HA   PRO  30           HA       PRO  30   3.783  -8.118   5.485
  249   1HB   PRO  30          1HB       PRO  30   6.055  -8.481   6.959
  250   2HB   PRO  30          2HB       PRO  30   4.467  -8.296   7.677
  251   1HG   PRO  30          1HG       PRO  30   6.086 -10.750   7.368
  252   2HG   PRO  30          2HG       PRO  30   4.724 -10.459   8.433
  253   1HD   PRO  30          1HD       PRO  30   4.700 -11.954   5.985
  254   2HD   PRO  30          2HD       PRO  30   3.318 -11.566   6.989
  255    H    HIS  31           H        HIS  31   3.999  -8.922   3.036
  256    HA   HIS  31           HA       HIS  31   6.608  -7.925   2.360
  257   1HB   HIS  31          1HB       HIS  31   7.163 -10.247   2.584
  258   2HB   HIS  31          2HB       HIS  31   5.753 -10.743   1.670
  259    HD1  HIS  31           HD1      HIS  31   6.457 -11.574  -0.567
  260    HD2  HIS  31           HD2      HIS  31   8.747  -8.285   0.670
  261    HE1  HIS  31           HE1      HIS  31   8.089 -11.085  -2.466
  262    H    VAL  32           H        VAL  32   3.508  -9.421   1.247
  263    HA   VAL  32           HA       VAL  32   3.596  -7.644  -1.076
  264    HB   VAL  32           HB       VAL  32   1.791  -9.993  -0.469
  265   1HG1  VAL  32          1HG1      VAL  32   0.855  -8.327  -2.049
  266   2HG1  VAL  32          2HG1      VAL  32   2.293  -8.524  -3.080
  267   3HG1  VAL  32          3HG1      VAL  32   1.187  -9.895  -2.824
  268   1HG2  VAL  32          1HG2      VAL  32   4.354  -9.827  -2.082
  269   2HG2  VAL  32          2HG2      VAL  32   4.029 -10.834  -0.651
  270   3HG2  VAL  32          3HG2      VAL  32   3.199 -11.177  -2.188
  271    HA   PRO  33           HA       PRO  33   0.659  -5.145   0.916
  272   1HB   PRO  33          1HB       PRO  33   0.105  -3.441  -1.148
  273   2HB   PRO  33          2HB       PRO  33   1.491  -3.249  -0.093
  274   1HG   PRO  33          1HG       PRO  33   1.405  -4.236  -2.878
  275   2HG   PRO  33          2HG       PRO  33   2.778  -3.641  -1.966
  276   1HD   PRO  33          1HD       PRO  33   2.164  -6.381  -2.551
  277   2HD   PRO  33          2HD       PRO  33   3.470  -5.792  -1.543
  278    H    VAL  34           H        VAL  34  -1.626  -4.266   0.687
  279    HA   VAL  34           HA       VAL  34  -3.123  -6.308  -0.809
  280    HB   VAL  34           HB       VAL  34  -3.828  -4.954   1.803
  281   1HG1  VAL  34          1HG1      VAL  34  -5.281  -7.092   0.207
  282   2HG1  VAL  34          2HG1      VAL  34  -5.712  -6.570   1.854
  283   3HG1  VAL  34          3HG1      VAL  34  -5.824  -5.422   0.499
  284   1HG2  VAL  34          1HG2      VAL  34  -2.045  -7.034   1.413
  285   2HG2  VAL  34          2HG2      VAL  34  -2.914  -6.670   2.923
  286   3HG2  VAL  34          3HG2      VAL  34  -3.568  -7.875   1.788
  287    H    LYS  35           H        LYS  35  -3.367  -2.981   0.644
  288    HA   LYS  35           HA       LYS  35  -4.699  -2.177  -1.842
  289   1HB   LYS  35          1HB       LYS  35  -5.549  -1.434   0.974
  290   2HB   LYS  35          2HB       LYS  35  -6.202  -0.736  -0.494
  291   1HG   LYS  35          1HG       LYS  35  -7.541  -2.539  -0.880
  292   2HG   LYS  35          2HG       LYS  35  -6.227  -3.670  -0.621
  293   1HD   LYS  35          1HD       LYS  35  -6.532  -3.569   1.812
  294   2HD   LYS  35          2HD       LYS  35  -7.703  -2.274   1.658
  295   1HE   LYS  35          1HE       LYS  35  -8.177  -4.931   0.263
  296   2HE   LYS  35          2HE       LYS  35  -8.557  -4.751   1.964
  297   1HZ   LYS  35          1HZ       LYS  35  -9.947  -2.866   1.378
  298   2HZ   LYS  35          2HZ       LYS  35  -9.614  -3.076  -0.207
  299   3HZ   LYS  35          3HZ       LYS  35 -10.440  -4.222   0.613
  300    H    ARG  36           H        ARG  36  -4.531   0.211  -2.241
  301    HA   ARG  36           HA       ARG  36  -2.483   1.516  -0.732
  302   1HB   ARG  36          1HB       ARG  36  -2.128   0.990  -3.728
  303   2HB   ARG  36          2HB       ARG  36  -1.079   2.003  -2.755
  304   1HG   ARG  36          1HG       ARG  36  -0.490   0.044  -1.327
  305   2HG   ARG  36          2HG       ARG  36  -1.563  -0.974  -2.266
  306   1HD   ARG  36          1HD       ARG  36   0.554   0.577  -3.757
  307   2HD   ARG  36          2HD       ARG  36   1.072  -0.807  -2.814
  308    HE   ARG  36           HE       ARG  36  -1.233  -1.260  -4.619
  309   1HH1  ARG  36          2HH1      ARG  36   2.233  -1.567  -4.097
  310   2HH1  ARG  36          1HH1      ARG  36   2.439  -2.777  -5.319
  311   1HH2  ARG  36          1HH2      ARG  36  -0.962  -2.856  -6.232
  312   2HH2  ARG  36          2HH2      ARG  36   0.609  -3.515  -6.542
  313    H    GLY  37           H        GLY  37  -2.914   3.730  -0.670
  314   1HA   GLY  37          1HA       GLY  37  -4.230   5.054  -2.866
  315   2HA   GLY  37          2HA       GLY  37  -5.260   4.828  -1.466
  316    H    CYS  38           H        CYS  38  -5.082   7.350  -1.727
  317    HA   CYS  38           HA       CYS  38  -2.649   8.316  -0.450
  318   1HB   CYS  38          1HB       CYS  38  -4.817   9.640  -2.059
  319   2HB   CYS  38          2HB       CYS  38  -3.770  10.586  -1.019
  320    H    ILE  39           H        ILE  39  -3.030  10.065   1.294
  321    HA   ILE  39           HA       ILE  39  -5.557  10.078   2.601
  322    HB   ILE  39           HB       ILE  39  -4.463   7.826   3.186
  323   1HG1  ILE  39          1HG1      ILE  39  -5.175   9.422   5.627
  324   2HG1  ILE  39          2HG1      ILE  39  -6.370   9.213   4.363
  325   1HG2  ILE  39          1HG2      ILE  39  -2.206   8.685   3.607
  326   2HG2  ILE  39          2HG2      ILE  39  -2.823   9.640   4.977
  327   3HG2  ILE  39          3HG2      ILE  39  -2.876   7.861   5.035
  328   1HD1  ILE  39          1HD1      ILE  39  -4.861   6.937   5.730
  329   2HD1  ILE  39          2HD1      ILE  39  -6.535   7.425   6.086
  330   3HD1  ILE  39          3HD1      ILE  39  -6.125   6.752   4.490
  331    H    ASP  40           H        ASP  40  -5.458  11.487   4.599
  332    HA   ASP  40           HA       ASP  40  -3.389  13.469   4.133
  333   1HB   ASP  40          1HB       ASP  40  -4.971  14.912   5.582
  334   2HB   ASP  40          2HB       ASP  40  -5.531  14.487   3.977
  335    H    VAL  41           H        VAL  41  -5.320  11.879   6.788
  336    HA   VAL  41           HA       VAL  41  -3.085  12.412   8.610
  337    HB   VAL  41           HB       VAL  41  -5.430  13.283   9.065
  338   1HG1  VAL  41          1HG1      VAL  41  -6.582  11.172   8.341
  339   2HG1  VAL  41          2HG1      VAL  41  -5.973  10.396   9.822
  340   3HG1  VAL  41          3HG1      VAL  41  -7.088  11.778   9.936
  341   1HG2  VAL  41          1HG2      VAL  41  -4.094  11.488  11.120
  342   2HG2  VAL  41          2HG2      VAL  41  -3.707  13.194  10.789
  343   3HG2  VAL  41          3HG2      VAL  41  -5.289  12.758  11.477
  344    H    CYS  42           H        CYS  42  -1.920  10.736   9.473
  345    HA   CYS  42           HA       CYS  42  -2.382   8.160   8.329
  346   1HB   CYS  42          1HB       CYS  42  -0.123   9.158   8.670
  347   2HB   CYS  42          2HB       CYS  42  -0.344   9.000  10.401
  348    HA   PRO  43           HA       PRO  43  -4.887   7.011  11.764
  349   1HB   PRO  43          1HB       PRO  43  -5.654   4.558  10.836
  350   2HB   PRO  43          2HB       PRO  43  -6.478   6.044  10.409
  351   1HG   PRO  43          1HG       PRO  43  -4.636   4.411   8.772
  352   2HG   PRO  43          2HG       PRO  43  -5.781   5.630   8.250
  353   1HD   PRO  43          1HD       PRO  43  -2.937   5.929   8.472
  354   2HD   PRO  43          2HD       PRO  43  -4.093   7.180   8.062
  355    H    LYS  44           H        LYS  44  -5.188   4.932  13.206
  356    HA   LYS  44           HA       LYS  44  -2.457   4.337  13.990
  357   1HB   LYS  44          1HB       LYS  44  -4.226   5.168  15.600
  358   2HB   LYS  44          2HB       LYS  44  -5.033   3.624  15.413
  359   1HG   LYS  44          1HG       LYS  44  -3.116   2.413  16.291
  360   2HG   LYS  44          2HG       LYS  44  -2.099   3.839  16.215
  361   1HD   LYS  44          1HD       LYS  44  -4.628   3.882  17.890
  362   2HD   LYS  44          2HD       LYS  44  -3.181   3.121  18.521
  363   1HE   LYS  44          1HE       LYS  44  -1.902   5.245  18.132
  364   2HE   LYS  44          2HE       LYS  44  -3.356   6.004  17.516
  365   1HZ   LYS  44          1HZ       LYS  44  -4.391   5.615  19.651
  366   2HZ   LYS  44          2HZ       LYS  44  -3.034   4.910  20.225
  367   3HZ   LYS  44          3HZ       LYS  44  -3.026   6.494  19.829
  368    H    SER  45           H        SER  45  -1.794   2.098  14.480
  369    HA   SER  45           HA       SER  45  -2.883   0.359  12.451
  370   1HB   SER  45          1HB       SER  45  -0.366   0.283  14.156
  371   2HB   SER  45          2HB       SER  45  -0.848  -1.081  13.166
  372    HG   SER  45           HG       SER  45  -0.328   1.611  12.225
  373    H    SER  46           H        SER  46  -3.208  -2.021  13.027
  374    HA   SER  46           HA       SER  46  -4.084  -2.249  15.799
  375   1HB   SER  46          1HB       SER  46  -6.044  -3.482  15.104
  376   2HB   SER  46          2HB       SER  46  -6.002  -1.995  14.179
  377    HG   SER  46           HG       SER  46  -4.796  -3.401  12.509
  378    H    LEU  47           H        LEU  47  -4.694  -4.910  15.989
  379    HA   LEU  47           HA       LEU  47  -2.101  -6.118  15.579
  380   1HB   LEU  47          1HB       LEU  47  -4.568  -7.179  16.963
  381   2HB   LEU  47          2HB       LEU  47  -2.968  -7.893  17.000
  382    HG   LEU  47           HG       LEU  47  -3.688  -5.172  18.126
  383   1HD1  LEU  47          1HD1      LEU  47  -4.746  -6.971  19.391
  384   2HD1  LEU  47          2HD1      LEU  47  -3.177  -7.795  19.556
  385   3HD1  LEU  47          3HD1      LEU  47  -3.438  -6.213  20.329
  386   1HD2  LEU  47          1HD2      LEU  47  -1.104  -6.742  18.118
  387   2HD2  LEU  47          2HD2      LEU  47  -1.408  -5.108  17.480
  388   3HD2  LEU  47          3HD2      LEU  47  -1.430  -5.396  19.237
  389    H    LEU  48           H        LEU  48  -5.120  -5.865  13.940
  390    HA   LEU  48           HA       LEU  48  -4.770  -8.435  12.621
  391   1HB   LEU  48          1HB       LEU  48  -6.985  -7.952  13.345
  392   2HB   LEU  48          2HB       LEU  48  -6.959  -6.363  12.606
  393    HG   LEU  48           HG       LEU  48  -6.862  -7.423  10.362
  394   1HD1  LEU  48          1HD1      LEU  48  -7.106  -9.992  11.946
  395   2HD1  LEU  48          2HD1      LEU  48  -7.432  -9.857  10.201
  396   3HD1  LEU  48          3HD1      LEU  48  -5.803  -9.513  10.831
  397   1HD2  LEU  48          1HD2      LEU  48  -8.995  -6.702  11.298
  398   2HD2  LEU  48          2HD2      LEU  48  -9.196  -8.171  10.313
  399   3HD2  LEU  48          3HD2      LEU  48  -9.199  -8.284  12.089
  400    H    VAL  49           H        VAL  49  -5.497  -5.051  11.505
  401    HA   VAL  49           HA       VAL  49  -3.890  -5.635   9.139
  402    HB   VAL  49           HB       VAL  49  -6.355  -4.616   9.344
  403   1HG1  VAL  49          1HG1      VAL  49  -5.548  -2.636  10.626
  404   2HG1  VAL  49          2HG1      VAL  49  -4.595  -2.147   9.205
  405   3HG1  VAL  49          3HG1      VAL  49  -6.371  -2.208   9.107
  406   1HG2  VAL  49          1HG2      VAL  49  -5.190  -5.280   7.274
  407   2HG2  VAL  49          2HG2      VAL  49  -6.079  -3.751   7.074
  408   3HG2  VAL  49          3HG2      VAL  49  -4.311  -3.733   7.278
  409    H    LYS  50           H        LYS  50  -2.325  -4.003   8.372
  410    HA   LYS  50           HA       LYS  50  -1.276  -2.388  10.588
  411   1HB   LYS  50          1HB       LYS  50   0.045  -4.472  10.266
  412   2HB   LYS  50          2HB       LYS  50   0.369  -3.995   8.612
  413   1HG   LYS  50          1HG       LYS  50   1.507  -1.939   9.380
  414   2HG   LYS  50          2HG       LYS  50   1.089  -2.293  11.045
  415   1HD   LYS  50          1HD       LYS  50   3.359  -3.028  10.777
  416   2HD   LYS  50          2HD       LYS  50   2.391  -4.488  10.808
  417   1HE   LYS  50          1HE       LYS  50   2.474  -4.683   8.369
  418   2HE   LYS  50          2HE       LYS  50   3.221  -3.105   8.216
  419   1HZ   LYS  50          1HZ       LYS  50   4.430  -5.409   9.583
  420   2HZ   LYS  50          2HZ       LYS  50   4.828  -4.879   8.090
  421   3HZ   LYS  50          3HZ       LYS  50   5.127  -3.944   9.396
  422    H    TYR  51           H        TYR  51  -1.505  -0.282  10.081
  423    HA   TYR  51           HA       TYR  51  -1.526   0.429   7.244
  424   1HB   TYR  51          1HB       TYR  51  -2.456   1.571   9.923
  425   2HB   TYR  51          2HB       TYR  51  -2.249   2.673   8.576
  426    HD1  TYR  51           HD1      TYR  51  -3.413   1.770   6.292
  427    HD2  TYR  51           HD2      TYR  51  -4.585   0.729  10.273
  428    HE1  TYR  51           HE1      TYR  51  -5.742   1.181   5.460
  429    HE2  TYR  51           HE2      TYR  51  -6.910   0.144   9.428
  430    HH   TYR  51           HH       TYR  51  -8.211  -0.027   7.718
  431    H    VAL  52           H        VAL  52   0.390   1.060   6.388
  432    HA   VAL  52           HA       VAL  52   2.210   2.520   8.174
  433    HB   VAL  52           HB       VAL  52   2.802   0.823   5.742
  434   1HG1  VAL  52          1HG1      VAL  52   4.642   2.344   7.615
  435   2HG1  VAL  52          2HG1      VAL  52   5.186   1.125   6.437
  436   3HG1  VAL  52          3HG1      VAL  52   4.403   2.621   5.873
  437   1HG2  VAL  52          1HG2      VAL  52   3.220   0.317   8.705
  438   2HG2  VAL  52          2HG2      VAL  52   2.170  -0.589   7.589
  439   3HG2  VAL  52          3HG2      VAL  52   3.939  -0.665   7.406
  440    H    CYS  53           H        CYS  53   2.785   4.588   7.629
  441    HA   CYS  53           HA       CYS  53   1.799   5.510   5.027
  442   1HB   CYS  53          1HB       CYS  53   2.169   7.272   7.443
  443   2HB   CYS  53          2HB       CYS  53   1.312   7.626   5.956
  444    H    CYS  54           H        CYS  54   3.210   6.998   3.868
  445    HA   CYS  54           HA       CYS  54   5.836   7.409   5.030
  446   1HB   CYS  54          1HB       CYS  54   6.731   6.729   2.649
  447   2HB   CYS  54          2HB       CYS  54   6.550   5.561   3.942
  448    H    ASN  55           H        ASN  55   6.815   9.337   4.212
  449    HA   ASN  55           HA       ASN  55   4.984  10.914   2.608
  450   1HB   ASN  55          1HB       ASN  55   6.326  12.866   3.438
  451   2HB   ASN  55          2HB       ASN  55   5.682  11.916   4.762
  452   1HD2  ASN  55          2HD2      ASN  55   7.877  13.664   4.919
  453   2HD2  ASN  55          1HD2      ASN  55   9.303  12.764   5.318
  454    H    THR  56           H        THR  56   6.341   8.989   1.117
  455    HA   THR  56           HA       THR  56   8.328  10.612  -0.314
  456    HB   THR  56           HB       THR  56   9.371   8.148  -0.657
  457    HG1  THR  56           HG1      THR  56   8.205   8.177   2.028
  458   1HG2  THR  56          1HG2      THR  56   9.660   9.795   1.912
  459   2HG2  THR  56          2HG2      THR  56  10.756   8.477   1.432
  460   3HG2  THR  56          3HG2      THR  56  10.656   9.955   0.446
  461    H    ASP  57           H        ASP  57   8.388  10.352  -2.569
  462    HA   ASP  57           HA       ASP  57   5.909   9.804  -3.675
  463   1HB   ASP  57          1HB       ASP  57   8.680  10.013  -4.938
  464   2HB   ASP  57          2HB       ASP  57   7.204   9.925  -5.878
  465    H    LYS  58           H        LYS  58   5.140   7.942  -4.833
  466    HA   LYS  58           HA       LYS  58   4.911   5.737  -5.072
  467   1HB   LYS  58          1HB       LYS  58   6.471   6.692  -6.977
  468   2HB   LYS  58          2HB       LYS  58   7.676   5.658  -6.237
  469   1HG   LYS  58          1HG       LYS  58   4.909   4.597  -6.926
  470   2HG   LYS  58          2HG       LYS  58   6.183   4.648  -8.128
  471   1HD   LYS  58          1HD       LYS  58   7.633   3.414  -6.299
  472   2HD   LYS  58          2HD       LYS  58   6.091   3.051  -5.549
  473   1HE   LYS  58          1HE       LYS  58   6.351   1.186  -6.941
  474   2HE   LYS  58          2HE       LYS  58   5.395   2.232  -7.973
  475   1HZ   LYS  58          1HZ       LYS  58   7.439   2.982  -8.998
  476   2HZ   LYS  58          2HZ       LYS  58   8.324   1.997  -8.043
  477   3HZ   LYS  58          3HZ       LYS  58   7.288   1.361  -9.133
  478    H    CYS  59           H        CYS  59   5.258   5.969  -2.494
  479    HA   CYS  59           HA       CYS  59   7.567   4.356  -1.751
  480   1HB   CYS  59          1HB       CYS  59   7.180   5.056   0.503
  481   2HB   CYS  59          2HB       CYS  59   7.205   6.463  -0.541
  482    H    ASN  60           H        ASN  60   3.960   4.592  -1.483
  483    HA   ASN  60           HA       ASN  60   3.791   2.039  -0.263
  484   1HB   ASN  60          1HB       ASN  60   1.352   2.391  -0.413
  485   2HB   ASN  60          2HB       ASN  60   2.112   3.875   0.126
  486   1HD2  ASN  60          2HD2      ASN  60  -0.367   3.960  -0.921
  487   2HD2  ASN  60          1HD2      ASN  60  -0.382   4.718  -2.479
  488   1H    HOH  61          1H        HOH  61   0.942  -8.249   3.894
  489   2H    HOH  61          2H        HOH  61   0.265  -7.059   3.251
  490   1H    HOH  62          1H        HOH  62   4.142 -12.952   7.939
  491   2H    HOH  62          2H        HOH  62   4.842 -13.936   7.027
  Start of MODEL   14
    1    H    LEU   1           H        LEU   1   4.563  14.805  -4.725
    2    HA   LEU   1           HA       LEU   1   3.224  13.440  -3.481
    3   1HB   LEU   1          1HB       LEU   1   1.401  15.699  -4.320
    4   2HB   LEU   1          2HB       LEU   1   1.202  14.697  -2.897
    5    HG   LEU   1           HG       LEU   1   3.842  15.806  -2.838
    6   1HD1  LEU   1          1HD1      LEU   1   3.012  17.524  -4.370
    7   2HD1  LEU   1          2HD1      LEU   1   1.668  17.877  -3.257
    8   3HD1  LEU   1          3HD1      LEU   1   3.346  18.197  -2.757
    9   1HD2  LEU   1          1HD2      LEU   1   2.589  15.058  -0.889
   10   2HD2  LEU   1          2HD2      LEU   1   3.060  16.766  -0.718
   11   3HD2  LEU   1          3HD2      LEU   1   1.385  16.343  -1.147
   12    H    LYS   2           H        LYS   2   3.333  11.687  -5.240
   13    HA   LYS   2           HA       LYS   2   0.573  11.108  -6.010
   14   1HB   LYS   2          1HB       LYS   2   1.286  10.321  -8.203
   15   2HB   LYS   2          2HB       LYS   2   1.657  12.021  -8.000
   16   1HG   LYS   2          1HG       LYS   2   4.019  11.436  -7.410
   17   2HG   LYS   2          2HG       LYS   2   3.649   9.735  -7.611
   18   1HD   LYS   2          1HD       LYS   2   3.035  10.157 -10.005
   19   2HD   LYS   2          2HD       LYS   2   3.421  11.855  -9.801
   20   1HE   LYS   2          1HE       LYS   2   5.780  11.250  -9.217
   21   2HE   LYS   2          2HE       LYS   2   5.395   9.552  -9.416
   22   1HZ   LYS   2          1HZ       LYS   2   5.187  11.593 -11.522
   23   2HZ   LYS   2          2HZ       LYS   2   6.366  10.469 -11.396
   24   3HZ   LYS   2          3HZ       LYS   2   4.829  10.010 -11.707
   25    H    CYS   3           H        CYS   3   0.034   8.873  -5.978
   26    HA   CYS   3           HA       CYS   3   2.160   7.100  -5.079
   27   1HB   CYS   3          1HB       CYS   3  -0.485   6.992  -3.673
   28   2HB   CYS   3          2HB       CYS   3   1.065   6.337  -3.183
   29    H    LYS   4           H        LYS   4   1.237   4.725  -5.129
   30    HA   LYS   4           HA       LYS   4  -0.338   4.520  -7.577
   31   1HB   LYS   4          1HB       LYS   4   1.385   2.480  -6.137
   32   2HB   LYS   4          2HB       LYS   4   0.524   2.200  -7.637
   33   1HG   LYS   4          1HG       LYS   4   1.794   4.159  -8.655
   34   2HG   LYS   4          2HG       LYS   4   2.733   4.258  -7.179
   35   1HD   LYS   4          1HD       LYS   4   3.591   1.976  -7.501
   36   2HD   LYS   4          2HD       LYS   4   2.535   1.729  -8.878
   37   1HE   LYS   4          1HE       LYS   4   3.706   3.542 -10.124
   38   2HE   LYS   4          2HE       LYS   4   4.737   3.846  -8.740
   39   1HZ   LYS   4          1HZ       LYS   4   4.595   1.308 -10.216
   40   2HZ   LYS   4          2HZ       LYS   4   5.794   2.410 -10.332
   41   3HZ   LYS   4          3HZ       LYS   4   5.562   1.600  -8.933
   42    H    LYS   5           H        LYS   5  -2.121   2.980  -7.713
   43    HA   LYS   5           HA       LYS   5  -3.543   2.881  -5.171
   44   1HB   LYS   5          1HB       LYS   5  -4.595   2.327  -7.958
   45   2HB   LYS   5          2HB       LYS   5  -5.533   2.575  -6.499
   46   1HG   LYS   5          1HG       LYS   5  -4.284   4.894  -6.365
   47   2HG   LYS   5          2HG       LYS   5  -3.896   4.608  -8.050
   48   1HD   LYS   5          1HD       LYS   5  -6.746   4.467  -6.971
   49   2HD   LYS   5          2HD       LYS   5  -6.046   5.945  -7.600
   50   1HE   LYS   5          1HE       LYS   5  -6.815   5.240  -9.631
   51   2HE   LYS   5          2HE       LYS   5  -5.436   4.158  -9.628
   52   1HZ   LYS   5          1HZ       LYS   5  -6.830   2.500  -8.567
   53   2HZ   LYS   5          2HZ       LYS   5  -8.115   3.508  -8.610
   54   3HZ   LYS   5          3HZ       LYS   5  -7.458   2.962 -10.002
   55    H    LEU   6           H        LEU   6  -5.264   0.718  -5.641
   56    HA   LEU   6           HA       LEU   6  -3.835  -1.385  -4.652
   57   1HB   LEU   6          1HB       LEU   6  -6.282  -1.707  -6.375
   58   2HB   LEU   6          2HB       LEU   6  -5.755  -2.708  -5.037
   59    HG   LEU   6           HG       LEU   6  -6.056  -0.223  -3.851
   60   1HD1  LEU   6          1HD1      LEU   6  -7.184   0.352  -6.144
   61   2HD1  LEU   6          2HD1      LEU   6  -8.562  -0.545  -5.463
   62   3HD1  LEU   6          3HD1      LEU   6  -7.923   0.883  -4.614
   63   1HD2  LEU   6          1HD2      LEU   6  -6.721  -2.520  -3.050
   64   2HD2  LEU   6          2HD2      LEU   6  -7.862  -1.209  -2.666
   65   3HD2  LEU   6          3HD2      LEU   6  -8.216  -2.335  -3.998
   66    H    VAL   7           H        VAL   7  -4.132  -0.254  -7.987
   67    HA   VAL   7           HA       VAL   7  -2.767  -2.677  -8.904
   68    HB   VAL   7           HB       VAL   7  -4.321  -0.504 -10.307
   69   1HG1  VAL   7          1HG1      VAL   7  -2.468  -2.595 -11.433
   70   2HG1  VAL   7          2HG1      VAL   7  -3.883  -2.045 -12.361
   71   3HG1  VAL   7          3HG1      VAL   7  -2.634  -0.877 -11.868
   72   1HG2  VAL   7          1HG2      VAL   7  -5.652  -2.253  -9.205
   73   2HG2  VAL   7          2HG2      VAL   7  -5.787  -2.353 -10.977
   74   3HG2  VAL   7          3HG2      VAL   7  -4.753  -3.504 -10.097
   75    HA   PRO   8           HA       PRO   8   0.869  -0.301  -9.036
   76   1HB   PRO   8          1HB       PRO   8   2.521  -2.175 -10.144
   77   2HB   PRO   8          2HB       PRO   8   2.157  -2.111  -8.431
   78   1HG   PRO   8          1HG       PRO   8   1.143  -3.994 -10.473
   79   2HG   PRO   8          2HG       PRO   8   1.139  -4.159  -8.728
   80   1HD   PRO   8          1HD       PRO   8  -1.096  -3.480 -10.393
   81   2HD   PRO   8          2HD       PRO   8  -1.071  -3.533  -8.641
   82    H    LEU   9           H        LEU   9  -0.830  -1.472 -11.701
   83    HA   LEU   9           HA       LEU   9   0.934  -0.110 -13.563
   84   1HB   LEU   9          1HB       LEU   9  -1.612  -1.658 -14.058
   85   2HB   LEU   9          2HB       LEU   9  -0.497  -1.068 -15.274
   86    HG   LEU   9           HG       LEU   9   0.304  -3.060 -13.142
   87   1HD1  LEU   9          1HD1      LEU   9  -0.706  -3.621 -15.944
   88   2HD1  LEU   9          2HD1      LEU   9   0.017  -4.816 -14.841
   89   3HD1  LEU   9          3HD1      LEU   9  -1.523  -4.031 -14.417
   90   1HD2  LEU   9          1HD2      LEU   9   1.580  -2.196 -15.749
   91   2HD2  LEU   9          2HD2      LEU   9   2.192  -1.932 -14.099
   92   3HD2  LEU   9          3HD2      LEU   9   2.121  -3.580 -14.769
   93    H    PHE  10           H        PHE  10  -1.189   0.930 -11.331
   94    HA   PHE  10           HA       PHE  10  -2.091   3.092 -13.085
   95   1HB   PHE  10          1HB       PHE  10  -3.579   1.234 -11.205
   96   2HB   PHE  10          2HB       PHE  10  -4.096   2.909 -11.214
   97    HD1  PHE  10           HD1      PHE  10  -4.012   3.744 -13.943
   98    HD2  PHE  10           HD2      PHE  10  -5.073  -0.057 -12.384
   99    HE1  PHE  10           HE1      PHE  10  -5.413   3.301 -15.978
  100    HE2  PHE  10           HE2      PHE  10  -6.474  -0.501 -14.419
  101    HZ   PHE  10           HZ       PHE  10  -6.628   1.184 -16.192
  102    H    SER  11           H        SER  11  -1.841   5.145 -12.234
  103    HA   SER  11           HA       SER  11  -1.198   5.270  -9.402
  104   1HB   SER  11          1HB       SER  11   0.507   7.124 -10.136
  105   2HB   SER  11          2HB       SER  11   0.976   5.440 -10.249
  106    HG   SER  11           HG       SER  11   1.490   6.624 -12.198
  107    H    LYS  12           H        LYS  12  -1.681   7.380  -8.413
  108    HA   LYS  12           HA       LYS  12  -3.025   9.312 -10.097
  109   1HB   LYS  12          1HB       LYS  12  -4.476   7.372  -8.494
  110   2HB   LYS  12          2HB       LYS  12  -4.806   9.004  -7.948
  111   1HG   LYS  12          1HG       LYS  12  -4.873   8.284 -10.905
  112   2HG   LYS  12          2HG       LYS  12  -6.273   8.045  -9.879
  113   1HD   LYS  12          1HD       LYS  12  -6.175  10.480  -9.225
  114   2HD   LYS  12          2HD       LYS  12  -4.827  10.699 -10.323
  115   1HE   LYS  12          1HE       LYS  12  -6.268   9.948 -12.235
  116   2HE   LYS  12          2HE       LYS  12  -7.616   9.746 -11.134
  117   1HZ   LYS  12          1HZ       LYS  12  -7.462  12.088 -10.611
  118   2HZ   LYS  12          2HZ       LYS  12  -6.207  12.276 -11.639
  119   3HZ   LYS  12          3HZ       LYS  12  -7.681  11.873 -12.216
  120    H    THR  13           H        THR  13  -2.893  11.406  -9.264
  121    HA   THR  13           HA       THR  13  -1.024  11.691  -7.077
  122    HB   THR  13           HB       THR  13  -2.437  13.759  -8.843
  123    HG1  THR  13           HG1      THR  13  -0.530  13.417 -10.136
  124   1HG2  THR  13          1HG2      THR  13  -1.169  14.524  -6.688
  125   2HG2  THR  13          2HG2      THR  13   0.297  13.929  -7.502
  126   3HG2  THR  13          3HG2      THR  13  -0.653  15.246  -8.230
  127    H    CYS  14           H        CYS  14  -1.405  12.414  -5.035
  128    HA   CYS  14           HA       CYS  14  -4.057  12.173  -4.107
  129   1HB   CYS  14          1HB       CYS  14  -1.757  13.394  -2.587
  130   2HB   CYS  14          2HB       CYS  14  -3.181  12.600  -1.944
  131    HA   PRO  15           HA       PRO  15  -5.178  16.342  -4.813
  132   1HB   PRO  15          1HB       PRO  15  -7.593  16.354  -3.533
  133   2HB   PRO  15          2HB       PRO  15  -7.379  15.766  -5.170
  134   1HG   PRO  15          1HG       PRO  15  -7.772  14.219  -2.682
  135   2HG   PRO  15          2HG       PRO  15  -7.979  13.699  -4.343
  136   1HD   PRO  15          1HD       PRO  15  -5.774  13.083  -2.614
  137   2HD   PRO  15          2HD       PRO  15  -5.928  12.661  -4.308
  138    H    ALA  16           H        ALA  16  -6.111  18.337  -3.559
  139    HA   ALA  16           HA       ALA  16  -4.198  18.942  -1.652
  140   1HB   ALA  16          1HB       ALA  16  -6.968  20.118  -2.119
  141   2HB   ALA  16          2HB       ALA  16  -5.667  20.892  -1.182
  142   3HB   ALA  16          3HB       ALA  16  -5.462  20.612  -2.928
  143    H    GLY  17           H        GLY  17  -3.986  18.540   0.508
  144   1HA   GLY  17          1HA       GLY  17  -5.097  18.402   2.654
  145   2HA   GLY  17          2HA       GLY  17  -6.349  17.433   1.902
  146    H    LYS  18           H        LYS  18  -4.758  15.705   0.259
  147    HA   LYS  18           HA       LYS  18  -3.497  14.120   2.373
  148   1HB   LYS  18          1HB       LYS  18  -4.547  13.243  -0.334
  149   2HB   LYS  18          2HB       LYS  18  -3.909  12.199   0.920
  150   1HG   LYS  18          1HG       LYS  18  -6.028  12.049   1.725
  151   2HG   LYS  18          2HG       LYS  18  -5.847  13.701   2.281
  152   1HD   LYS  18          1HD       LYS  18  -6.666  14.501   0.018
  153   2HD   LYS  18          2HD       LYS  18  -6.948  12.831  -0.433
  154   1HE   LYS  18          1HE       LYS  18  -8.530  12.579   1.494
  155   2HE   LYS  18          2HE       LYS  18  -8.248  14.249   1.944
  156   1HZ   LYS  18          1HZ       LYS  18  -9.098  14.908  -0.207
  157   2HZ   LYS  18          2HZ       LYS  18  -9.366  13.351  -0.621
  158   3HZ   LYS  18          3HZ       LYS  18 -10.209  14.027   0.603
  159    H    ASN  19           H        ASN  19  -1.322  13.972   2.440
  160    HA   ASN  19           HA       ASN  19   0.070  14.370  -0.081
  161   1HB   ASN  19          1HB       ASN  19   0.815  15.576   2.636
  162   2HB   ASN  19          2HB       ASN  19   1.858  15.623   1.228
  163   1HD2  ASN  19          2HD2      ASN  19   0.970  17.887   2.559
  164   2HD2  ASN  19          1HD2      ASN  19  -0.072  18.814   1.532
  165    H    LEU  20           H        LEU  20  -0.775  12.012   1.703
  166    HA   LEU  20           HA       LEU  20   1.911  10.901   2.034
  167   1HB   LEU  20          1HB       LEU  20  -0.333  10.788   4.050
  168   2HB   LEU  20          2HB       LEU  20   1.071   9.741   4.093
  169    HG   LEU  20           HG       LEU  20   1.305  12.755   4.144
  170   1HD1  LEU  20          1HD1      LEU  20  -0.128  11.935   6.021
  171   2HD1  LEU  20          2HD1      LEU  20   1.244  10.942   6.569
  172   3HD1  LEU  20          3HD1      LEU  20   1.387  12.716   6.536
  173   1HD2  LEU  20          1HD2      LEU  20   3.180  10.453   4.594
  174   2HD2  LEU  20          2HD2      LEU  20   3.397  11.929   3.622
  175   3HD2  LEU  20          3HD2      LEU  20   3.469  12.014   5.398
  176    H    CYS  21           H        CYS  21   1.888   8.474   2.009
  177    HA   CYS  21           HA       CYS  21  -0.353   7.569   0.352
  178   1HB   CYS  21          1HB       CYS  21   2.417   6.381   0.314
  179   2HB   CYS  21          2HB       CYS  21   1.110   6.130  -0.826
  180    H    TYR  22           H        TYR  22  -1.649   6.112   1.414
  181    HA   TYR  22           HA       TYR  22  -0.506   4.742   3.735
  182   1HB   TYR  22          1HB       TYR  22  -2.751   4.836   4.516
  183   2HB   TYR  22          2HB       TYR  22  -2.750   6.241   3.470
  184    HD1  TYR  22           HD1      TYR  22  -3.467   2.563   3.380
  185    HD2  TYR  22           HD2      TYR  22  -4.380   6.437   1.812
  186    HE1  TYR  22           HE1      TYR  22  -5.386   1.575   2.037
  187    HE2  TYR  22           HE2      TYR  22  -6.297   5.436   0.475
  188    HH   TYR  22           HH       TYR  22  -7.441   3.664   0.024
  189    H    LYS  23           H        LYS  23  -0.707   2.469   4.013
  190    HA   LYS  23           HA       LYS  23  -1.725   0.990   1.717
  191   1HB   LYS  23          1HB       LYS  23   0.254  -0.313   1.451
  192   2HB   LYS  23          2HB       LYS  23   0.717   1.375   1.359
  193   1HG   LYS  23          1HG       LYS  23   2.238   0.967   2.991
  194   2HG   LYS  23          2HG       LYS  23   0.901   0.779   4.108
  195   1HD   LYS  23          1HD       LYS  23   1.741  -1.331   4.406
  196   2HD   LYS  23          2HD       LYS  23   0.876  -1.697   2.926
  197   1HE   LYS  23          1HE       LYS  23   3.805  -0.837   3.099
  198   2HE   LYS  23          2HE       LYS  23   3.240  -2.471   2.809
  199   1HZ   LYS  23          1HZ       LYS  23   2.080  -1.544   0.832
  200   2HZ   LYS  23          2HZ       LYS  23   2.887  -0.143   1.062
  201   3HZ   LYS  23          3HZ       LYS  23   3.710  -1.517   0.741
  202    H    MET  24           H        MET  24  -2.773  -0.892   2.290
  203    HA   MET  24           HA       MET  24  -2.699  -1.468   5.150
  204   1HB   MET  24          1HB       MET  24  -4.883  -0.621   3.981
  205   2HB   MET  24          2HB       MET  24  -4.933  -2.180   3.182
  206   1HG   MET  24          1HG       MET  24  -4.584  -3.030   5.751
  207   2HG   MET  24          2HG       MET  24  -5.395  -1.510   6.073
  208   1HE   MET  24          1HE       MET  24  -7.271  -0.854   3.994
  209   2HE   MET  24          2HE       MET  24  -8.752  -1.818   4.211
  210   3HE   MET  24          3HE       MET  24  -7.959  -1.074   5.621
  211    H    PHE  25           H        PHE  25  -1.878  -3.428   5.753
  212    HA   PHE  25           HA       PHE  25  -2.034  -5.597   3.798
  213   1HB   PHE  25          1HB       PHE  25   0.328  -6.050   4.131
  214   2HB   PHE  25          2HB       PHE  25   0.241  -4.313   3.918
  215    HD1  PHE  25           HD1      PHE  25   0.789  -7.013   6.333
  216    HD2  PHE  25           HD2      PHE  25   0.684  -2.809   5.761
  217    HE1  PHE  25           HE1      PHE  25   1.949  -6.684   8.534
  218    HE2  PHE  25           HE2      PHE  25   1.844  -2.481   7.962
  219    HZ   PHE  25           HZ       PHE  25   2.463  -4.422   9.323
  220    H    MET  26           H        MET  26  -1.699  -7.777   4.811
  221    HA   MET  26           HA       MET  26  -2.965  -7.752   7.398
  222   1HB   MET  26          1HB       MET  26  -2.523  -9.713   5.147
  223   2HB   MET  26          2HB       MET  26  -2.693 -10.404   6.748
  224   1HG   MET  26          1HG       MET  26  -4.944 -10.289   6.339
  225   2HG   MET  26          2HG       MET  26  -4.779  -8.595   6.754
  226   1HE   MET  26          1HE       MET  26  -7.134  -9.511   5.016
  227   2HE   MET  26          2HE       MET  26  -6.794  -7.795   5.342
  228   3HE   MET  26          3HE       MET  26  -7.116  -8.337   3.678
  229    H    VAL  27           H        VAL  27  -2.004  -8.385   9.322
  230    HA   VAL  27           HA       VAL  27   0.809  -8.454   9.417
  231    HB   VAL  27           HB       VAL  27  -0.740  -7.605  11.171
  232   1HG1  VAL  27          1HG1      VAL  27  -2.120  -9.900  10.910
  233   2HG1  VAL  27          2HG1      VAL  27  -1.089 -10.342  12.293
  234   3HG1  VAL  27          3HG1      VAL  27  -2.147  -8.915  12.392
  235   1HG2  VAL  27          1HG2      VAL  27   1.271  -9.720  12.011
  236   2HG2  VAL  27          2HG2      VAL  27   1.593  -7.996  11.706
  237   3HG2  VAL  27          3HG2      VAL  27   0.581  -8.482  13.088
  238    H    ALA  28           H        ALA  28   1.118 -10.182   7.734
  239    HA   ALA  28           HA       ALA  28   1.726 -12.623   9.021
  240   1HB   ALA  28          1HB       ALA  28  -0.685 -12.534   7.171
  241   2HB   ALA  28          2HB       ALA  28   0.197 -14.030   7.560
  242   3HB   ALA  28          3HB       ALA  28  -0.621 -13.118   8.852
  243    H    ALA  29           H        ALA  29   1.035 -10.839   5.965
  244    HA   ALA  29           HA       ALA  29   3.500 -12.030   4.889
  245   1HB   ALA  29          1HB       ALA  29   0.924 -11.283   3.447
  246   2HB   ALA  29          2HB       ALA  29   2.423 -11.820   2.651
  247   3HB   ALA  29          3HB       ALA  29   1.542 -12.928   3.730
  248    HA   PRO  30           HA       PRO  30   4.006  -7.555   5.176
  249   1HB   PRO  30          1HB       PRO  30   6.470  -7.557   6.356
  250   2HB   PRO  30          2HB       PRO  30   4.974  -7.455   7.262
  251   1HG   PRO  30          1HG       PRO  30   6.795  -9.763   6.943
  252   2HG   PRO  30          2HG       PRO  30   5.554  -9.502   8.154
  253   1HD   PRO  30          1HD       PRO  30   5.383 -11.221   5.864
  254   2HD   PRO  30          2HD       PRO  30   4.104 -10.871   7.010
  255    H    HIS  31           H        HIS  31   4.023  -8.660   2.802
  256    HA   HIS  31           HA       HIS  31   6.411  -7.471   1.701
  257   1HB   HIS  31          1HB       HIS  31   7.182  -9.723   2.041
  258   2HB   HIS  31          2HB       HIS  31   5.724 -10.396   1.338
  259    HD1  HIS  31           HD1      HIS  31   8.319  -7.847   0.077
  260    HD2  HIS  31           HD2      HIS  31   6.297 -11.308  -1.157
  261    HE1  HIS  31           HE1      HIS  31   9.120  -8.335  -2.296
  262    H    VAL  32           H        VAL  32   3.348  -9.311   1.123
  263    HA   VAL  32           HA       VAL  32   2.980  -7.748  -1.321
  264    HB   VAL  32           HB       VAL  32   1.525 -10.184  -0.273
  265   1HG1  VAL  32          1HG1      VAL  32   1.375  -8.762  -2.953
  266   2HG1  VAL  32          2HG1      VAL  32   0.620 -10.330  -2.581
  267   3HG1  VAL  32          3HG1      VAL  32   0.092  -8.863  -1.723
  268   1HG2  VAL  32          1HG2      VAL  32   3.720  -9.907  -2.350
  269   2HG2  VAL  32          2HG2      VAL  32   3.798 -10.784  -0.804
  270   3HG2  VAL  32          3HG2      VAL  32   2.741 -11.374  -2.109
  271    HA   PRO  33           HA       PRO  33   0.208  -5.313   1.012
  272   1HB   PRO  33          1HB       PRO  33  -0.371  -3.484  -0.935
  273   2HB   PRO  33          2HB       PRO  33   1.028  -3.358   0.112
  274   1HG   PRO  33          1HG       PRO  33   0.905  -4.170  -2.728
  275   2HG   PRO  33          2HG       PRO  33   2.291  -3.632  -1.798
  276   1HD   PRO  33          1HD       PRO  33   1.667  -6.331  -2.544
  277   2HD   PRO  33          2HD       PRO  33   2.987  -5.805  -1.519
  278    H    VAL  34           H        VAL  34  -2.080  -4.311   0.725
  279    HA   VAL  34           HA       VAL  34  -3.597  -6.310  -0.807
  280    HB   VAL  34           HB       VAL  34  -4.373  -5.028   1.819
  281   1HG1  VAL  34          1HG1      VAL  34  -6.282  -5.646   0.410
  282   2HG1  VAL  34          2HG1      VAL  34  -5.636  -7.296   0.241
  283   3HG1  VAL  34          3HG1      VAL  34  -6.170  -6.708   1.834
  284   1HG2  VAL  34          1HG2      VAL  34  -2.398  -6.652   1.896
  285   2HG2  VAL  34          2HG2      VAL  34  -3.787  -7.021   2.946
  286   3HG2  VAL  34          3HG2      VAL  34  -3.560  -7.915   1.424
  287    H    LYS  35           H        LYS  35  -3.733  -3.020   0.732
  288    HA   LYS  35           HA       LYS  35  -5.148  -2.139  -1.683
  289   1HB   LYS  35          1HB       LYS  35  -5.803  -1.402   1.185
  290   2HB   LYS  35          2HB       LYS  35  -6.494  -0.631  -0.229
  291   1HG   LYS  35          1HG       LYS  35  -7.949  -2.347  -0.582
  292   2HG   LYS  35          2HG       LYS  35  -6.688  -3.554  -0.428
  293   1HD   LYS  35          1HD       LYS  35  -6.845  -3.480   2.031
  294   2HD   LYS  35          2HD       LYS  35  -7.985  -2.151   1.955
  295   1HE   LYS  35          1HE       LYS  35  -9.672  -3.563   0.882
  296   2HE   LYS  35          2HE       LYS  35  -8.524  -4.871   0.678
  297   1HZ   LYS  35          1HZ       LYS  35  -8.363  -5.010   3.080
  298   2HZ   LYS  35          2HZ       LYS  35  -9.458  -3.811   3.255
  299   3HZ   LYS  35          3HZ       LYS  35  -9.903  -5.232   2.584
  300    H    ARG  36           H        ARG  36  -4.863   0.203  -2.144
  301    HA   ARG  36           HA       ARG  36  -2.710   1.444  -0.727
  302   1HB   ARG  36          1HB       ARG  36  -2.502   0.792  -3.710
  303   2HB   ARG  36          2HB       ARG  36  -1.411   1.871  -2.864
  304   1HG   ARG  36          1HG       ARG  36  -0.770  -0.003  -1.321
  305   2HG   ARG  36          2HG       ARG  36  -1.842  -1.079  -2.194
  306   1HD   ARG  36          1HD       ARG  36   0.231   0.440  -3.780
  307   2HD   ARG  36          2HD       ARG  36   0.773  -0.908  -2.801
  308    HE   ARG  36           HE       ARG  36  -1.564  -1.596  -4.401
  309   1HH1  ARG  36          1HH1      ARG  36   1.938  -1.265  -4.487
  310   2HH1  ARG  36          2HH1      ARG  36   2.139  -2.374  -5.802
  311   1HH2  ARG  36          1HH2      ARG  36  -1.300  -3.060  -6.136
  312   2HH2  ARG  36          2HH2      ARG  36   0.284  -3.402  -6.747
  313    H    GLY  37           H        GLY  37  -3.282   3.589  -0.505
  314   1HA   GLY  37          1HA       GLY  37  -4.556   4.975  -2.726
  315   2HA   GLY  37          2HA       GLY  37  -5.523   4.791  -1.276
  316    H    CYS  38           H        CYS  38  -5.289   7.302  -1.558
  317    HA   CYS  38           HA       CYS  38  -2.768   8.201  -0.402
  318   1HB   CYS  38          1HB       CYS  38  -4.973   9.629  -1.880
  319   2HB   CYS  38          2HB       CYS  38  -3.752  10.497  -0.971
  320    H    ILE  39           H        ILE  39  -3.036  10.005   1.319
  321    HA   ILE  39           HA       ILE  39  -5.500  10.114   2.727
  322    HB   ILE  39           HB       ILE  39  -4.483   7.831   3.303
  323   1HG1  ILE  39          1HG1      ILE  39  -4.979   9.445   5.775
  324   2HG1  ILE  39          2HG1      ILE  39  -6.244   9.367   4.565
  325   1HG2  ILE  39          1HG2      ILE  39  -2.170   8.600   3.601
  326   2HG2  ILE  39          2HG2      ILE  39  -2.679   9.584   4.993
  327   3HG2  ILE  39          3HG2      ILE  39  -2.804   7.810   5.065
  328   1HD1  ILE  39          1HD1      ILE  39  -4.864   6.928   5.779
  329   2HD1  ILE  39          2HD1      ILE  39  -6.454   7.556   6.278
  330   3HD1  ILE  39          3HD1      ILE  39  -6.229   6.903   4.637
  331    H    ASP  40           H        ASP  40  -5.179  11.449   4.818
  332    HA   ASP  40           HA       ASP  40  -3.076  13.372   4.220
  333   1HB   ASP  40          1HB       ASP  40  -4.559  14.891   5.714
  334   2HB   ASP  40          2HB       ASP  40  -5.148  14.512   4.108
  335    H    VAL  41           H        VAL  41  -5.043  11.982   6.964
  336    HA   VAL  41           HA       VAL  41  -2.718  12.372   8.707
  337    HB   VAL  41           HB       VAL  41  -4.968  13.434   9.211
  338   1HG1  VAL  41          1HG1      VAL  41  -6.280  11.372   8.553
  339   2HG1  VAL  41          2HG1      VAL  41  -5.737  10.634  10.079
  340   3HG1  VAL  41          3HG1      VAL  41  -6.736  12.107  10.109
  341   1HG2  VAL  41          1HG2      VAL  41  -3.719  11.571  11.258
  342   2HG2  VAL  41          2HG2      VAL  41  -3.219  13.240  10.894
  343   3HG2  VAL  41          3HG2      VAL  41  -4.810  12.928  11.630
  344    H    CYS  42           H        CYS  42  -1.551  10.625   9.328
  345    HA   CYS  42           HA       CYS  42  -2.244   8.086   8.326
  346   1HB   CYS  42          1HB       CYS  42   0.075   8.909   8.654
  347   2HB   CYS  42          2HB       CYS  42  -0.155   8.815  10.389
  348    HA   PRO  43           HA       PRO  43  -4.828   7.113  11.756
  349   1HB   PRO  43          1HB       PRO  43  -5.755   4.715  10.830
  350   2HB   PRO  43          2HB       PRO  43  -6.477   6.253  10.399
  351   1HG   PRO  43          1HG       PRO  43  -4.745   4.497   8.769
  352   2HG   PRO  43          2HG       PRO  43  -5.804   5.789   8.242
  353   1HD   PRO  43          1HD       PRO  43  -2.947   5.897   8.471
  354   2HD   PRO  43          2HD       PRO  43  -4.016   7.222   8.055
  355    H    LYS  44           H        LYS  44  -5.263   5.089  13.222
  356    HA   LYS  44           HA       LYS  44  -2.589   4.325  14.030
  357   1HB   LYS  44          1HB       LYS  44  -4.343   5.220  15.616
  358   2HB   LYS  44          2HB       LYS  44  -5.230   3.727  15.387
  359   1HG   LYS  44          1HG       LYS  44  -3.387   2.399  16.272
  360   2HG   LYS  44          2HG       LYS  44  -2.311   3.782  16.271
  361   1HD   LYS  44          1HD       LYS  44  -3.733   4.910  17.979
  362   2HD   LYS  44          2HD       LYS  44  -4.847   3.557  17.961
  363   1HE   LYS  44          1HE       LYS  44  -3.013   2.034  18.729
  364   2HE   LYS  44          2HE       LYS  44  -1.897   3.385  18.744
  365   1HZ   LYS  44          1HZ       LYS  44  -3.304   4.451  20.376
  366   2HZ   LYS  44          2HZ       LYS  44  -4.344   3.192  20.361
  367   3HZ   LYS  44          3HZ       LYS  44  -2.820   2.985  20.910
  368    H    SER  45           H        SER  45  -2.017   2.065  14.475
  369    HA   SER  45           HA       SER  45  -3.193   0.388  12.437
  370   1HB   SER  45          1HB       SER  45  -0.591   0.437  13.946
  371   2HB   SER  45          2HB       SER  45  -1.149  -1.113  13.350
  372    HG   SER  45           HG       SER  45   0.213  -0.004  11.801
  373    H    SER  46           H        SER  46  -3.460  -2.034  13.036
  374    HA   SER  46           HA       SER  46  -4.421  -2.199  15.786
  375   1HB   SER  46          1HB       SER  46  -6.296  -3.536  15.054
  376   2HB   SER  46          2HB       SER  46  -6.265  -2.089  14.066
  377    HG   SER  46           HG       SER  46  -6.602  -3.969  12.755
  378    H    LEU  47           H        LEU  47  -4.925  -4.865  16.078
  379    HA   LEU  47           HA       LEU  47  -2.274  -5.985  15.829
  380   1HB   LEU  47          1HB       LEU  47  -4.757  -7.079  17.157
  381   2HB   LEU  47          2HB       LEU  47  -3.136  -7.732  17.290
  382    HG   LEU  47           HG       LEU  47  -3.998  -4.994  18.265
  383   1HD1  LEU  47          1HD1      LEU  47  -5.040  -6.777  19.566
  384   2HD1  LEU  47          2HD1      LEU  47  -3.450  -7.532  19.829
  385   3HD1  LEU  47          3HD1      LEU  47  -3.799  -5.929  20.519
  386   1HD2  LEU  47          1HD2      LEU  47  -1.360  -6.463  18.425
  387   2HD2  LEU  47          2HD2      LEU  47  -1.698  -4.870  17.707
  388   3HD2  LEU  47          3HD2      LEU  47  -1.780  -5.086  19.472
  389    H    LEU  48           H        LEU  48  -5.249  -5.947  14.076
  390    HA   LEU  48           HA       LEU  48  -4.736  -8.551  12.887
  391   1HB   LEU  48          1HB       LEU  48  -7.007  -7.970  13.564
  392   2HB   LEU  48          2HB       LEU  48  -6.984  -6.567  12.514
  393    HG   LEU  48           HG       LEU  48  -6.613  -8.197  10.575
  394   1HD1  LEU  48          1HD1      LEU  48  -7.429 -10.178  12.717
  395   2HD1  LEU  48          2HD1      LEU  48  -7.456 -10.505  10.968
  396   3HD1  LEU  48          3HD1      LEU  48  -5.914 -10.154  11.784
  397   1HD2  LEU  48          1HD2      LEU  48  -9.226  -8.264  12.110
  398   2HD2  LEU  48          2HD2      LEU  48  -8.716  -7.035  10.928
  399   3HD2  LEU  48          3HD2      LEU  48  -9.015  -8.708  10.400
  400    H    VAL  49           H        VAL  49  -5.517  -5.241  11.597
  401    HA   VAL  49           HA       VAL  49  -3.702  -5.857   9.379
  402    HB   VAL  49           HB       VAL  49  -4.921  -3.944   8.288
  403   1HG1  VAL  49          1HG1      VAL  49  -5.418  -6.281   7.755
  404   2HG1  VAL  49          2HG1      VAL  49  -6.566  -6.361   9.113
  405   3HG1  VAL  49          3HG1      VAL  49  -6.901  -5.297   7.726
  406   1HG2  VAL  49          1HG2      VAL  49  -5.774  -3.084  10.569
  407   2HG2  VAL  49          2HG2      VAL  49  -6.892  -3.044   9.185
  408   3HG2  VAL  49          3HG2      VAL  49  -7.036  -4.329  10.408
  409    H    LYS  50           H        LYS  50  -2.443  -3.919   8.520
  410    HA   LYS  50           HA       LYS  50  -1.789  -2.036  10.656
  411   1HB   LYS  50          1HB       LYS  50   0.019  -4.089   9.462
  412   2HB   LYS  50          2HB       LYS  50   0.690  -2.495   9.741
  413   1HG   LYS  50          1HG       LYS  50   0.033  -2.573  12.114
  414   2HG   LYS  50          2HG       LYS  50  -0.814  -4.088  11.869
  415   1HD   LYS  50          1HD       LYS  50   1.320  -5.215  11.274
  416   2HD   LYS  50          2HD       LYS  50   2.186  -3.699  11.431
  417   1HE   LYS  50          1HE       LYS  50   2.469  -5.018  13.486
  418   2HE   LYS  50          2HE       LYS  50   1.542  -3.575  13.845
  419   1HZ   LYS  50          1HZ       LYS  50   0.205  -6.086  13.168
  420   2HZ   LYS  50          2HZ       LYS  50   0.680  -5.768  14.698
  421   3HZ   LYS  50          3HZ       LYS  50  -0.404  -4.794  13.960
  422    H    TYR  51           H        TYR  51  -1.635   0.030   9.918
  423    HA   TYR  51           HA       TYR  51  -1.647   0.345   6.998
  424   1HB   TYR  51          1HB       TYR  51  -2.517   2.101   9.378
  425   2HB   TYR  51          2HB       TYR  51  -2.668   2.599   7.705
  426    HD1  TYR  51           HD1      TYR  51  -3.895   0.170  10.230
  427    HD2  TYR  51           HD2      TYR  51  -4.502   1.871   6.352
  428    HE1  TYR  51           HE1      TYR  51  -6.194  -0.908  10.109
  429    HE2  TYR  51           HE2      TYR  51  -6.799   0.788   6.244
  430    HH   TYR  51           HH       TYR  51  -8.444  -0.079   7.623
  431    H    VAL  52           H        VAL  52   0.493   0.559   6.391
  432    HA   VAL  52           HA       VAL  52   2.211   2.239   8.022
  433    HB   VAL  52           HB       VAL  52   2.589   0.336   5.729
  434   1HG1  VAL  52          1HG1      VAL  52   4.565   2.406   6.725
  435   2HG1  VAL  52          2HG1      VAL  52   5.049   0.941   5.837
  436   3HG1  VAL  52          3HG1      VAL  52   3.990   2.143   5.061
  437   1HG2  VAL  52          1HG2      VAL  52   2.501  -0.379   8.182
  438   2HG2  VAL  52          2HG2      VAL  52   3.920  -0.902   7.244
  439   3HG2  VAL  52          3HG2      VAL  52   4.055   0.467   8.373
  440    H    CYS  53           H        CYS  53   2.715   4.331   7.548
  441    HA   CYS  53           HA       CYS  53   1.724   5.311   4.970
  442   1HB   CYS  53          1HB       CYS  53   2.167   7.061   7.374
  443   2HB   CYS  53          2HB       CYS  53   1.206   7.376   5.942
  444    H    CYS  54           H        CYS  54   3.140   6.727   3.774
  445    HA   CYS  54           HA       CYS  54   5.801   7.073   4.908
  446   1HB   CYS  54          1HB       CYS  54   6.644   6.528   2.506
  447   2HB   CYS  54          2HB       CYS  54   6.366   5.247   3.669
  448    H    ASN  55           H        ASN  55   6.806   9.027   4.184
  449    HA   ASN  55           HA       ASN  55   4.954  10.772   2.799
  450   1HB   ASN  55          1HB       ASN  55   6.416  12.611   3.670
  451   2HB   ASN  55          2HB       ASN  55   5.845  11.582   4.969
  452   1HD2  ASN  55          2HD2      ASN  55   8.129  13.273   4.995
  453   2HD2  ASN  55          1HD2      ASN  55   9.542  12.301   5.241
  454    H    THR  56           H        THR  56   6.160   8.882   1.115
  455    HA   THR  56           HA       THR  56   8.031  10.558  -0.396
  456    HB   THR  56           HB       THR  56   9.118   8.132  -0.855
  457    HG1  THR  56           HG1      THR  56   8.100   8.100   1.893
  458   1HG2  THR  56          1HG2      THR  56   9.548   9.714   1.735
  459   2HG2  THR  56          2HG2      THR  56  10.659   8.476   1.100
  460   3HG2  THR  56          3HG2      THR  56  10.401   9.989   0.197
  461    H    ASP  57           H        ASP  57   8.049  10.171  -2.683
  462    HA   ASP  57           HA       ASP  57   5.467   9.592  -3.606
  463   1HB   ASP  57          1HB       ASP  57   8.101   9.908  -5.123
  464   2HB   ASP  57          2HB       ASP  57   6.519   9.899  -5.876
  465    H    LYS  58           H        LYS  58   4.823   7.791  -5.028
  466    HA   LYS  58           HA       LYS  58   4.665   5.570  -5.285
  467   1HB   LYS  58          1HB       LYS  58   6.160   4.758  -6.956
  468   2HB   LYS  58          2HB       LYS  58   5.907   6.465  -7.262
  469   1HG   LYS  58          1HG       LYS  58   8.181   5.968  -5.439
  470   2HG   LYS  58          2HG       LYS  58   8.389   5.193  -6.996
  471   1HD   LYS  58          1HD       LYS  58   8.098   7.302  -8.181
  472   2HD   LYS  58          2HD       LYS  58   7.575   8.120  -6.722
  473   1HE   LYS  58          1HE       LYS  58   9.820   7.806  -5.706
  474   2HE   LYS  58          2HE       LYS  58  10.352   6.901  -7.108
  475   1HZ   LYS  58          1HZ       LYS  58   9.458   9.701  -7.155
  476   2HZ   LYS  58          2HZ       LYS  58  11.012   9.202  -7.219
  477   3HZ   LYS  58          3HZ       LYS  58   9.992   8.854  -8.446
  478    H    CYS  59           H        CYS  59   5.239   6.001  -2.640
  479    HA   CYS  59           HA       CYS  59   7.511   4.317  -2.002
  480   1HB   CYS  59          1HB       CYS  59   7.151   4.992   0.291
  481   2HB   CYS  59          2HB       CYS  59   7.257   6.389  -0.761
  482    H    ASN  60           H        ASN  60   3.919   4.555  -1.556
  483    HA   ASN  60           HA       ASN  60   3.813   1.990  -0.353
  484   1HB   ASN  60          1HB       ASN  60   1.405   2.362  -0.277
  485   2HB   ASN  60          2HB       ASN  60   2.172   3.894   0.088
  486   1HD2  ASN  60          2HD2      ASN  60  -0.446   3.619  -0.833
  487   2HD2  ASN  60          1HD2      ASN  60  -0.599   4.348  -2.397
  488   1H    HOH  61          1H        HOH  61  -0.205  -7.850   2.721
  489   2H    HOH  61          2H        HOH  61  -1.565  -8.448   2.436
  490   1H    HOH  62          1H        HOH  62   7.487 -12.069   6.418
  491   2H    HOH  62          2H        HOH  62   8.978 -11.982   6.174
  Start of MODEL   15
    1    H    LEU   1           H        LEU   1   3.607  15.206  -5.350
    2    HA   LEU   1           HA       LEU   1   3.632  12.885  -3.649
    3   1HB   LEU   1          1HB       LEU   1   1.176  13.825  -3.334
    4   2HB   LEU   1          2HB       LEU   1   2.572  14.502  -2.519
    5    HG   LEU   1           HG       LEU   1   2.719  16.221  -4.359
    6   1HD1  LEU   1          1HD1      LEU   1   0.143  14.887  -5.187
    7   2HD1  LEU   1          2HD1      LEU   1   0.515  16.577  -5.604
    8   3HD1  LEU   1          3HD1      LEU   1   1.577  15.266  -6.172
    9   1HD2  LEU   1          1HD2      LEU   1   0.185  16.156  -2.698
   10   2HD2  LEU   1          2HD2      LEU   1   1.778  16.765  -2.187
   11   3HD2  LEU   1          3HD2      LEU   1   0.880  17.598  -3.478
   12    H    LYS   2           H        LYS   2   3.982  11.394  -5.555
   13    HA   LYS   2           HA       LYS   2   1.360  10.734  -6.700
   14   1HB   LYS   2          1HB       LYS   2   2.370  10.163  -8.784
   15   2HB   LYS   2          2HB       LYS   2   2.895  11.783  -8.370
   16   1HG   LYS   2          1HG       LYS   2   4.994  10.673  -7.322
   17   2HG   LYS   2          2HG       LYS   2   4.488   9.198  -8.121
   18   1HD   LYS   2          1HD       LYS   2   5.903  10.113  -9.744
   19   2HD   LYS   2          2HD       LYS   2   4.350  10.716 -10.286
   20   1HE   LYS   2          1HE       LYS   2   4.757  12.867  -9.074
   21   2HE   LYS   2          2HE       LYS   2   6.306  12.265  -8.520
   22   1HZ   LYS   2          1HZ       LYS   2   5.540  12.624 -11.334
   23   2HZ   LYS   2          2HZ       LYS   2   6.537  13.600 -10.486
   24   3HZ   LYS   2          3HZ       LYS   2   6.984  12.065 -10.817
   25    H    CYS   3           H        CYS   3   0.666   8.690  -6.291
   26    HA   CYS   3           HA       CYS   3   2.688   6.721  -5.577
   27   1HB   CYS   3          1HB       CYS   3   0.534   7.752  -3.806
   28   2HB   CYS   3          2HB       CYS   3   0.796   6.020  -3.807
   29    H    LYS   4           H        LYS   4   1.276   4.481  -5.260
   30    HA   LYS   4           HA       LYS   4  -0.370   4.368  -7.676
   31   1HB   LYS   4          1HB       LYS   4   0.994   2.124  -6.160
   32   2HB   LYS   4          2HB       LYS   4   0.137   1.979  -7.681
   33   1HG   LYS   4          1HG       LYS   4   1.775   3.714  -8.643
   34   2HG   LYS   4          2HG       LYS   4   2.697   3.554  -7.161
   35   1HD   LYS   4          1HD       LYS   4   2.871   1.063  -7.591
   36   2HD   LYS   4          2HD       LYS   4   2.049   1.301  -9.121
   37   1HE   LYS   4          1HE       LYS   4   4.328   1.353  -9.746
   38   2HE   LYS   4          2HE       LYS   4   3.924   3.055  -9.636
   39   1HZ   LYS   4          1HZ       LYS   4   5.150   1.503  -7.463
   40   2HZ   LYS   4          2HZ       LYS   4   5.965   2.489  -8.478
   41   3HZ   LYS   4          3HZ       LYS   4   4.857   3.110  -7.451
   42    H    LYS   5           H        LYS   5  -2.370   3.099  -7.638
   43    HA   LYS   5           HA       LYS   5  -3.641   3.331  -5.014
   44   1HB   LYS   5          1HB       LYS   5  -4.906   3.077  -7.759
   45   2HB   LYS   5          2HB       LYS   5  -5.747   3.357  -6.248
   46   1HG   LYS   5          1HG       LYS   5  -3.890   5.393  -6.172
   47   2HG   LYS   5          2HG       LYS   5  -4.136   5.250  -7.901
   48   1HD   LYS   5          1HD       LYS   5  -5.828   6.767  -7.318
   49   2HD   LYS   5          2HD       LYS   5  -6.705   5.250  -7.302
   50   1HE   LYS   5          1HE       LYS   5  -7.349   6.197  -5.246
   51   2HE   LYS   5          2HE       LYS   5  -6.035   5.146  -4.757
   52   1HZ   LYS   5          1HZ       LYS   5  -5.737   8.007  -5.358
   53   2HZ   LYS   5          2HZ       LYS   5  -5.837   7.373  -3.857
   54   3HZ   LYS   5          3HZ       LYS   5  -4.561   7.015  -4.811
   55    H    LEU   6           H        LEU   6  -5.815   1.529  -5.576
   56    HA   LEU   6           HA       LEU   6  -4.822  -0.807  -4.563
   57   1HB   LEU   6          1HB       LEU   6  -7.284  -0.340  -6.249
   58   2HB   LEU   6          2HB       LEU   6  -6.963  -1.806  -5.345
   59    HG   LEU   6           HG       LEU   6  -6.707   0.430  -3.564
   60   1HD1  LEU   6          1HD1      LEU   6  -8.092   1.678  -5.136
   61   2HD1  LEU   6          2HD1      LEU   6  -9.310   0.379  -5.116
   62   3HD1  LEU   6          3HD1      LEU   6  -8.989   1.321  -3.640
   63   1HD2  LEU   6          1HD2      LEU   6  -7.204  -1.880  -2.916
   64   2HD2  LEU   6          2HD2      LEU   6  -8.437  -0.747  -2.313
   65   3HD2  LEU   6          3HD2      LEU   6  -8.785  -1.770  -3.727
   66    H    VAL   7           H        VAL   7  -4.872   0.358  -7.910
   67    HA   VAL   7           HA       VAL   7  -3.904  -2.260  -8.797
   68    HB   VAL   7           HB       VAL   7  -5.064   0.124 -10.241
   69   1HG1  VAL   7          1HG1      VAL   7  -3.626  -2.298 -11.325
   70   2HG1  VAL   7          2HG1      VAL   7  -4.879  -1.464 -12.276
   71   3HG1  VAL   7          3HG1      VAL   7  -3.423  -0.582 -11.755
   72   1HG2  VAL   7          1HG2      VAL   7  -6.688  -1.342  -9.129
   73   2HG2  VAL   7          2HG2      VAL   7  -6.819  -1.462 -10.900
   74   3HG2  VAL   7          3HG2      VAL   7  -6.008  -2.751  -9.978
   75    HA   PRO   8           HA       PRO   8   0.065  -0.490  -8.897
   76   1HB   PRO   8          1HB       PRO   8   1.413  -2.618  -9.957
   77   2HB   PRO   8          2HB       PRO   8   1.042  -2.472  -8.250
   78   1HG   PRO   8          1HG       PRO   8  -0.232  -4.200 -10.283
   79   2HG   PRO   8          2HG       PRO   8  -0.284  -4.338  -8.537
   80   1HD   PRO   8          1HD       PRO   8  -2.362  -3.338 -10.243
   81   2HD   PRO   8          2HD       PRO   8  -2.368  -3.368  -8.491
   82    H    LEU   9           H        LEU   9  -1.709  -1.516 -11.602
   83    HA   LEU   9           HA       LEU   9   0.254  -0.426 -13.434
   84   1HB   LEU   9          1HB       LEU   9  -2.475  -1.604 -13.971
   85   2HB   LEU   9          2HB       LEU   9  -1.253  -1.213 -15.164
   86    HG   LEU   9           HG       LEU   9  -0.861  -3.270 -12.976
   87   1HD1  LEU   9          1HD1      LEU   9  -2.707  -3.968 -14.401
   88   2HD1  LEU   9          2HD1      LEU   9  -1.714  -3.696 -15.853
   89   3HD1  LEU   9          3HD1      LEU   9  -1.269  -4.974 -14.697
   90   1HD2  LEU   9          1HD2      LEU   9   0.725  -2.580 -15.460
   91   2HD2  LEU   9          2HD2      LEU   9   1.240  -2.448 -13.761
   92   3HD2  LEU   9          3HD2      LEU   9   0.975  -4.051 -14.489
   93    H    PHE  10           H        PHE  10  -1.820   0.915 -11.284
   94    HA   PHE  10           HA       PHE  10  -2.316   3.172 -13.081
   95   1HB   PHE  10          1HB       PHE  10  -4.145   1.549 -11.286
   96   2HB   PHE  10          2HB       PHE  10  -4.424   3.279 -11.320
   97    HD1  PHE  10           HD1      PHE  10  -4.004   4.022 -14.082
   98    HD2  PHE  10           HD2      PHE  10  -5.814   0.524 -12.504
   99    HE1  PHE  10           HE1      PHE  10  -5.342   3.764 -16.190
  100    HE2  PHE  10           HE2      PHE  10  -7.153   0.266 -14.611
  101    HZ   PHE  10           HZ       PHE  10  -6.901   1.889 -16.429
  102    H    SER  11           H        SER  11  -1.839   5.178 -12.212
  103    HA   SER  11           HA       SER  11  -1.271   5.199  -9.357
  104   1HB   SER  11          1HB       SER  11   0.603   6.910 -10.050
  105   2HB   SER  11          2HB       SER  11   0.920   5.190 -10.167
  106    HG   SER  11           HG       SER  11   0.562   5.253 -12.415
  107    H    LYS  12           H        LYS  12  -1.582   7.314  -8.323
  108    HA   LYS  12           HA       LYS  12  -2.864   9.318 -10.013
  109   1HB   LYS  12          1HB       LYS  12  -4.540   7.686  -8.879
  110   2HB   LYS  12          2HB       LYS  12  -4.132   8.525  -7.397
  111   1HG   LYS  12          1HG       LYS  12  -4.963  10.611  -8.193
  112   2HG   LYS  12          2HG       LYS  12  -4.888  10.111  -9.871
  113   1HD   LYS  12          1HD       LYS  12  -6.718   8.438  -9.435
  114   2HD   LYS  12          2HD       LYS  12  -6.811   8.993  -7.775
  115   1HE   LYS  12          1HE       LYS  12  -7.205  10.834 -10.180
  116   2HE   LYS  12          2HE       LYS  12  -8.527  10.029  -9.359
  117   1HZ   LYS  12          1HZ       LYS  12  -7.670  11.102  -7.296
  118   2HZ   LYS  12          2HZ       LYS  12  -6.682  12.006  -8.230
  119   3HZ   LYS  12          3HZ       LYS  12  -8.301  12.129  -8.397
  120    H    THR  13           H        THR  13  -3.133  11.437  -8.726
  121    HA   THR  13           HA       THR  13  -0.764  11.717  -7.000
  122    HB   THR  13           HB       THR  13  -2.194  13.699  -8.850
  123    HG1  THR  13           HG1      THR  13   0.397  12.314  -8.796
  124   1HG2  THR  13          1HG2      THR  13   0.436  13.952  -7.297
  125   2HG2  THR  13          2HG2      THR  13  -0.241  15.156  -8.419
  126   3HG2  THR  13          3HG2      THR  13  -1.065  14.813  -6.880
  127    H    CYS  14           H        CYS  14  -1.054  12.130  -4.905
  128    HA   CYS  14           HA       CYS  14  -3.545  12.205  -3.759
  129   1HB   CYS  14          1HB       CYS  14  -0.953  13.329  -2.675
  130   2HB   CYS  14          2HB       CYS  14  -2.396  13.017  -1.730
  131    HA   PRO  15           HA       PRO  15  -4.556  16.352  -4.888
  132   1HB   PRO  15          1HB       PRO  15  -7.192  16.263  -4.172
  133   2HB   PRO  15          2HB       PRO  15  -6.606  15.744  -5.741
  134   1HG   PRO  15          1HG       PRO  15  -7.491  14.093  -3.453
  135   2HG   PRO  15          2HG       PRO  15  -7.313  13.634  -5.135
  136   1HD   PRO  15          1HD       PRO  15  -5.525  12.998  -2.985
  137   2HD   PRO  15          2HD       PRO  15  -5.290  12.640  -4.684
  138    H    ALA  16           H        ALA  16  -5.489  18.358  -3.875
  139    HA   ALA  16           HA       ALA  16  -4.158  18.931  -1.593
  140   1HB   ALA  16          1HB       ALA  16  -6.856  19.985  -2.534
  141   2HB   ALA  16          2HB       ALA  16  -5.810  20.779  -1.331
  142   3HB   ALA  16          3HB       ALA  16  -5.253  20.595  -3.012
  143    H    GLY  17           H        GLY  17  -4.440  18.694   0.620
  144   1HA   GLY  17          1HA       GLY  17  -5.901  18.354   2.483
  145   2HA   GLY  17          2HA       GLY  17  -6.894  17.302   1.494
  146    H    LYS  18           H        LYS  18  -4.727  15.832   0.186
  147    HA   LYS  18           HA       LYS  18  -3.559  14.468   2.509
  148   1HB   LYS  18          1HB       LYS  18  -3.868  12.397   0.861
  149   2HB   LYS  18          2HB       LYS  18  -5.098  12.876   2.013
  150   1HG   LYS  18          1HG       LYS  18  -6.179  14.286   0.209
  151   2HG   LYS  18          2HG       LYS  18  -4.992  13.684  -0.931
  152   1HD   LYS  18          1HD       LYS  18  -6.764  12.194  -1.295
  153   2HD   LYS  18          2HD       LYS  18  -5.798  11.295  -0.142
  154   1HE   LYS  18          1HE       LYS  18  -7.232  12.190   1.727
  155   2HE   LYS  18          2HE       LYS  18  -8.218  13.032   0.547
  156   1HZ   LYS  18          1HZ       LYS  18  -8.725  10.904  -0.454
  157   2HZ   LYS  18          2HZ       LYS  18  -7.814  10.123   0.653
  158   3HZ   LYS  18          3HZ       LYS  18  -9.162  10.918   1.120
  159    H    ASN  19           H        ASN  19  -1.386  14.093   2.390
  160    HA   ASN  19           HA       ASN  19  -0.190  14.377  -0.243
  161   1HB   ASN  19          1HB       ASN  19   0.694  15.743   2.349
  162   2HB   ASN  19          2HB       ASN  19   1.744  15.607   0.952
  163   1HD2  ASN  19          2HD2      ASN  19   1.888  17.561   0.130
  164   2HD2  ASN  19          1HD2      ASN  19   0.577  18.600  -0.317
  165    H    LEU  20           H        LEU  20  -0.913  12.244   1.993
  166    HA   LEU  20           HA       LEU  20   1.793  11.113   2.183
  167   1HB   LEU  20          1HB       LEU  20  -0.497  11.038   4.142
  168   2HB   LEU  20          2HB       LEU  20   0.848   9.916   4.216
  169    HG   LEU  20           HG       LEU  20   1.170  12.925   4.330
  170   1HD1  LEU  20          1HD1      LEU  20  -0.176  12.171   6.227
  171   2HD1  LEU  20          2HD1      LEU  20   1.058  10.953   6.629
  172   3HD1  LEU  20          3HD1      LEU  20   1.446  12.686   6.747
  173   1HD2  LEU  20          1HD2      LEU  20   3.058  10.608   4.757
  174   2HD2  LEU  20          2HD2      LEU  20   3.206  11.976   3.628
  175   3HD2  LEU  20          3HD2      LEU  20   3.388  12.243   5.379
  176    H    CYS  21           H        CYS  21   1.809   8.670   2.220
  177    HA   CYS  21           HA       CYS  21  -0.340   7.704   0.477
  178   1HB   CYS  21          1HB       CYS  21   2.550   6.814   0.574
  179   2HB   CYS  21          2HB       CYS  21   1.300   6.105  -0.429
  180    H    TYR  22           H        TYR  22  -1.589   6.087   1.366
  181    HA   TYR  22           HA       TYR  22  -0.543   4.810   3.797
  182   1HB   TYR  22          1HB       TYR  22  -2.815   4.877   4.499
  183   2HB   TYR  22          2HB       TYR  22  -2.794   6.281   3.451
  184    HD1  TYR  22           HD1      TYR  22  -3.485   2.599   3.372
  185    HD2  TYR  22           HD2      TYR  22  -4.345   6.447   1.709
  186    HE1  TYR  22           HE1      TYR  22  -5.345   1.584   1.966
  187    HE2  TYR  22           HE2      TYR  22  -6.202   5.418   0.309
  188    HH   TYR  22           HH       TYR  22  -7.293   3.631  -0.195
  189    H    LYS  23           H        LYS  23  -0.691   2.539   4.062
  190    HA   LYS  23           HA       LYS  23  -1.638   1.038   1.750
  191   1HB   LYS  23          1HB       LYS  23   0.350  -0.101   1.361
  192   2HB   LYS  23          2HB       LYS  23   0.883   1.552   1.596
  193   1HG   LYS  23          1HG       LYS  23   1.331   1.001   4.035
  194   2HG   LYS  23          2HG       LYS  23   0.926  -0.669   3.693
  195   1HD   LYS  23          1HD       LYS  23   3.293  -0.612   3.499
  196   2HD   LYS  23          2HD       LYS  23   2.739  -0.570   1.837
  197   1HE   LYS  23          1HE       LYS  23   3.044   1.868   1.733
  198   2HE   LYS  23          2HE       LYS  23   3.412   1.939   3.445
  199   1HZ   LYS  23          1HZ       LYS  23   5.004   0.486   1.447
  200   2HZ   LYS  23          2HZ       LYS  23   5.392   1.936   2.090
  201   3HZ   LYS  23          3HZ       LYS  23   5.356   0.607   3.037
  202    H    MET  24           H        MET  24  -2.659  -0.862   2.309
  203    HA   MET  24           HA       MET  24  -2.593  -1.453   5.167
  204   1HB   MET  24          1HB       MET  24  -4.785  -0.597   4.059
  205   2HB   MET  24          2HB       MET  24  -4.827  -2.111   3.176
  206   1HG   MET  24          1HG       MET  24  -4.499  -2.220   6.179
  207   2HG   MET  24          2HG       MET  24  -6.083  -1.843   5.532
  208   1HE   MET  24          1HE       MET  24  -7.490  -3.793   6.061
  209   2HE   MET  24          2HE       MET  24  -7.622  -3.477   4.315
  210   3HE   MET  24          3HE       MET  24  -7.516  -5.151   4.910
  211    H    PHE  25           H        PHE  25  -1.865  -3.456   5.777
  212    HA   PHE  25           HA       PHE  25  -2.037  -5.612   3.828
  213   1HB   PHE  25          1HB       PHE  25   0.397  -6.139   4.400
  214   2HB   PHE  25          2HB       PHE  25   0.215  -4.623   3.541
  215    HD1  PHE  25           HD1      PHE  25   0.197  -2.469   4.911
  216    HD2  PHE  25           HD2      PHE  25   1.434  -6.203   6.504
  217    HE1  PHE  25           HE1      PHE  25   1.418  -1.279   6.753
  218    HE2  PHE  25           HE2      PHE  25   2.654  -5.013   8.346
  219    HZ   PHE  25           HZ       PHE  25   2.631  -2.565   8.449
  220    H    MET  26           H        MET  26  -1.419  -7.775   4.896
  221    HA   MET  26           HA       MET  26  -2.682  -7.776   7.483
  222   1HB   MET  26          1HB       MET  26  -2.000  -9.798   5.333
  223   2HB   MET  26          2HB       MET  26  -2.210 -10.405   6.964
  224   1HG   MET  26          1HG       MET  26  -4.437 -10.479   6.435
  225   2HG   MET  26          2HG       MET  26  -4.415  -8.756   6.751
  226   1HE   MET  26          1HE       MET  26  -6.613  -9.899   4.960
  227   2HE   MET  26          2HE       MET  26  -6.376  -8.151   5.201
  228   3HE   MET  26          3HE       MET  26  -6.585  -8.803   3.558
  229    H    VAL  27           H        VAL  27  -1.664  -8.214   9.428
  230    HA   VAL  27           HA       VAL  27   1.145  -8.035   9.512
  231    HB   VAL  27           HB       VAL  27  -0.334  -7.180  11.246
  232   1HG1  VAL  27          1HG1      VAL  27  -1.498  -9.798  11.090
  233   2HG1  VAL  27          2HG1      VAL  27  -0.936  -9.515  12.755
  234   3HG1  VAL  27          3HG1      VAL  27  -2.065  -8.371  11.991
  235   1HG2  VAL  27          1HG2      VAL  27   2.012  -7.788  11.786
  236   2HG2  VAL  27          2HG2      VAL  27   0.921  -7.926  13.187
  237   3HG2  VAL  27          3HG2      VAL  27   1.449  -9.390  12.322
  238    H    ALA  28           H        ALA  28   1.562  -9.827   7.902
  239    HA   ALA  28           HA       ALA  28   2.389 -12.134   9.318
  240   1HB   ALA  28          1HB       ALA  28  -0.016 -12.351   7.468
  241   2HB   ALA  28          2HB       ALA  28   0.981 -13.742   7.959
  242   3HB   ALA  28          3HB       ALA  28   0.081 -12.816   9.184
  243    H    ALA  29           H        ALA  29   1.547 -10.575   6.177
  244    HA   ALA  29           HA       ALA  29   4.093 -11.625   5.144
  245   1HB   ALA  29          1HB       ALA  29   1.466 -11.124   3.687
  246   2HB   ALA  29          2HB       ALA  29   2.997 -11.590   2.906
  247   3HB   ALA  29          3HB       ALA  29   2.198 -12.708   4.038
  248    HA   PRO  30           HA       PRO  30   4.295  -7.121   5.234
  249   1HB   PRO  30          1HB       PRO  30   6.771  -6.908   6.370
  250   2HB   PRO  30          2HB       PRO  30   5.285  -6.871   7.298
  251   1HG   PRO  30          1HG       PRO  30   7.254  -9.061   7.039
  252   2HG   PRO  30          2HG       PRO  30   6.016  -8.836   8.259
  253   1HD   PRO  30          1HD       PRO  30   5.930 -10.654   6.043
  254   2HD   PRO  30          2HD       PRO  30   4.647 -10.345   7.195
  255    H    HIS  31           H        HIS  31   4.322  -8.226   2.895
  256    HA   HIS  31           HA       HIS  31   6.613  -6.951   1.712
  257   1HB   HIS  31          1HB       HIS  31   7.558  -9.122   2.117
  258   2HB   HIS  31          2HB       HIS  31   6.141  -9.931   1.477
  259    HD1  HIS  31           HD1      HIS  31   6.691 -10.942  -0.729
  260    HD2  HIS  31           HD2      HIS  31   8.540  -7.212  -0.214
  261    HE1  HIS  31           HE1      HIS  31   7.966 -10.472  -2.888
  262    H    VAL  32           H        VAL  32   3.663  -8.998   1.290
  263    HA   VAL  32           HA       VAL  32   3.151  -7.578  -1.217
  264    HB   VAL  32           HB       VAL  32   1.905 -10.068  -0.035
  265   1HG1  VAL  32          1HG1      VAL  32   1.539  -8.737  -2.739
  266   2HG1  VAL  32          2HG1      VAL  32   0.949 -10.363  -2.320
  267   3HG1  VAL  32          3HG1      VAL  32   0.314  -8.937  -1.464
  268   1HG2  VAL  32          1HG2      VAL  32   3.986  -9.709  -2.216
  269   2HG2  VAL  32          2HG2      VAL  32   4.203 -10.504  -0.638
  270   3HG2  VAL  32          3HG2      VAL  32   3.141 -11.236  -1.865
  271    HA   PRO  33           HA       PRO  33   0.299  -5.249   1.153
  272   1HB   PRO  33          1HB       PRO  33  -0.280  -3.389  -0.764
  273   2HB   PRO  33          2HB       PRO  33   1.084  -3.248   0.327
  274   1HG   PRO  33          1HG       PRO  33   1.069  -3.989  -2.535
  275   2HG   PRO  33          2HG       PRO  33   2.409  -3.435  -1.551
  276   1HD   PRO  33          1HD       PRO  33   1.891  -6.130  -2.383
  277   2HD   PRO  33          2HD       PRO  33   3.164  -5.592  -1.305
  278    H    VAL  34           H        VAL  34  -2.003  -4.199   0.662
  279    HA   VAL  34           HA       VAL  34  -3.413  -6.224  -0.927
  280    HB   VAL  34           HB       VAL  34  -4.283  -5.102   1.743
  281   1HG1  VAL  34          1HG1      VAL  34  -5.498  -7.255  -0.022
  282   2HG1  VAL  34          2HG1      VAL  34  -6.059  -6.814   1.608
  283   3HG1  VAL  34          3HG1      VAL  34  -6.165  -5.632   0.281
  284   1HG2  VAL  34          1HG2      VAL  34  -2.337  -6.652   1.913
  285   2HG2  VAL  34          2HG2      VAL  34  -3.810  -7.276   2.692
  286   3HG2  VAL  34          3HG2      VAL  34  -3.308  -7.906   1.105
  287    H    LYS  35           H        LYS  35  -3.603  -2.991   0.710
  288    HA   LYS  35           HA       LYS  35  -5.055  -2.065  -1.667
  289   1HB   LYS  35          1HB       LYS  35  -5.663  -1.384   1.226
  290   2HB   LYS  35          2HB       LYS  35  -6.383  -0.593  -0.162
  291   1HG   LYS  35          1HG       LYS  35  -7.832  -2.314  -0.524
  292   2HG   LYS  35          2HG       LYS  35  -6.563  -3.516  -0.400
  293   1HD   LYS  35          1HD       LYS  35  -6.690  -3.477   2.059
  294   2HD   LYS  35          2HD       LYS  35  -7.831  -2.148   2.018
  295   1HE   LYS  35          1HE       LYS  35  -8.449  -4.769   0.603
  296   2HE   LYS  35          2HE       LYS  35  -8.758  -4.583   2.318
  297   1HZ   LYS  35          1HZ       LYS  35 -10.095  -2.633   1.773
  298   2HZ   LYS  35          2HZ       LYS  35  -9.858  -2.895   0.179
  299   3HZ   LYS  35          3HZ       LYS  35 -10.680  -3.987   1.073
  300    H    ARG  36           H        ARG  36  -4.769   0.270  -2.111
  301    HA   ARG  36           HA       ARG  36  -2.638   1.527  -0.685
  302   1HB   ARG  36          1HB       ARG  36  -2.366   0.858  -3.660
  303   2HB   ARG  36          2HB       ARG  36  -1.293   1.936  -2.791
  304   1HG   ARG  36          1HG       ARG  36  -0.082  -0.036  -2.587
  305   2HG   ARG  36          2HG       ARG  36  -1.051  -0.149  -1.131
  306   1HD   ARG  36          1HD       ARG  36  -1.704  -2.189  -1.925
  307   2HD   ARG  36          2HD       ARG  36  -2.747  -1.292  -3.011
  308    HE   ARG  36           HE       ARG  36  -0.160  -1.401  -4.201
  309   1HH1  ARG  36          1HH1      ARG  36  -2.796  -3.575  -3.359
  310   2HH1  ARG  36          2HH1      ARG  36  -2.433  -4.708  -4.618
  311   1HH2  ARG  36          1HH2      ARG  36   0.318  -2.896  -5.862
  312   2HH2  ARG  36          2HH2      ARG  36  -0.650  -4.319  -6.051
  313    H    GLY  37           H        GLY  37  -3.071   3.729  -0.605
  314   1HA   GLY  37          1HA       GLY  37  -4.311   5.084  -2.828
  315   2HA   GLY  37          2HA       GLY  37  -5.376   4.876  -1.451
  316    H    CYS  38           H        CYS  38  -5.181   7.379  -1.639
  317    HA   CYS  38           HA       CYS  38  -2.734   8.315  -0.365
  318   1HB   CYS  38          1HB       CYS  38  -4.931   9.703  -1.888
  319   2HB   CYS  38          2HB       CYS  38  -3.804  10.597  -0.888
  320    H    ILE  39           H        ILE  39  -3.098  10.036   1.413
  321    HA   ILE  39           HA       ILE  39  -5.609  10.041   2.742
  322    HB   ILE  39           HB       ILE  39  -4.535   7.761   3.265
  323   1HG1  ILE  39          1HG1      ILE  39  -5.241   9.322   5.734
  324   2HG1  ILE  39          2HG1      ILE  39  -6.436   9.114   4.470
  325   1HG2  ILE  39          1HG2      ILE  39  -2.269   8.602   3.705
  326   2HG2  ILE  39          2HG2      ILE  39  -2.882   9.508   5.109
  327   3HG2  ILE  39          3HG2      ILE  39  -2.942   7.729   5.103
  328   1HD1  ILE  39          1HD1      ILE  39  -4.908   6.838   5.817
  329   2HD1  ILE  39          2HD1      ILE  39  -6.584   7.313   6.183
  330   3HD1  ILE  39          3HD1      ILE  39  -6.175   6.654   4.580
  331    H    ASP  40           H        ASP  40  -5.554  11.486   4.658
  332    HA   ASP  40           HA       ASP  40  -3.446  13.427   4.256
  333   1HB   ASP  40          1HB       ASP  40  -4.946  14.937   5.581
  334   2HB   ASP  40          2HB       ASP  40  -5.724  14.297   4.147
  335    H    VAL  41           H        VAL  41  -5.323  11.754   6.896
  336    HA   VAL  41           HA       VAL  41  -3.041  12.224   8.682
  337    HB   VAL  41           HB       VAL  41  -5.332  13.176   9.216
  338   1HG1  VAL  41          1HG1      VAL  41  -6.603  11.149   8.478
  339   2HG1  VAL  41          2HG1      VAL  41  -5.976  10.291   9.906
  340   3HG1  VAL  41          3HG1      VAL  41  -7.026  11.714  10.112
  341   1HG2  VAL  41          1HG2      VAL  41  -3.569  12.968  10.895
  342   2HG2  VAL  41          2HG2      VAL  41  -5.158  12.603  11.611
  343   3HG2  VAL  41          3HG2      VAL  41  -4.038  11.280  11.206
  344    H    CYS  42           H        CYS  42  -1.961  10.492   9.579
  345    HA   CYS  42           HA       CYS  42  -2.523   7.949   8.385
  346   1HB   CYS  42          1HB       CYS  42  -0.220   8.921   8.742
  347   2HB   CYS  42          2HB       CYS  42  -0.426   8.616  10.456
  348    HA   PRO  43           HA       PRO  43  -5.011   6.895  11.870
  349   1HB   PRO  43          1HB       PRO  43  -5.980   4.532  10.898
  350   2HB   PRO  43          2HB       PRO  43  -6.712   6.085  10.547
  351   1HG   PRO  43          1HG       PRO  43  -5.049   4.382   8.795
  352   2HG   PRO  43          2HG       PRO  43  -6.123   5.694   8.352
  353   1HD   PRO  43          1HD       PRO  43  -3.259   5.788   8.476
  354   2HD   PRO  43          2HD       PRO  43  -4.338   7.129   8.147
  355    H    LYS  44           H        LYS  44  -5.377   4.877  13.324
  356    HA   LYS  44           HA       LYS  44  -2.701   4.105  14.046
  357   1HB   LYS  44          1HB       LYS  44  -4.709   4.794  15.581
  358   2HB   LYS  44          2HB       LYS  44  -5.202   3.123  15.398
  359   1HG   LYS  44          1HG       LYS  44  -3.305   2.287  16.503
  360   2HG   LYS  44          2HG       LYS  44  -2.317   3.674  16.091
  361   1HD   LYS  44          1HD       LYS  44  -3.496   5.083  17.713
  362   2HD   LYS  44          2HD       LYS  44  -4.678   3.826  18.020
  363   1HE   LYS  44          1HE       LYS  44  -3.073   3.772  19.841
  364   2HE   LYS  44          2HE       LYS  44  -2.808   2.338  18.868
  365   1HZ   LYS  44          1HZ       LYS  44  -1.286   4.818  18.487
  366   2HZ   LYS  44          2HZ       LYS  44  -0.787   3.605  19.460
  367   3HZ   LYS  44          3HZ       LYS  44  -0.958   3.348  17.856
  368    H    SER  45           H        SER  45  -2.414   1.672  14.728
  369    HA   SER  45           HA       SER  45  -3.374   0.132  12.448
  370   1HB   SER  45          1HB       SER  45  -0.792   0.151  13.999
  371   2HB   SER  45          2HB       SER  45  -1.314  -1.369  13.301
  372    HG   SER  45           HG       SER  45   0.020   0.492  12.038
  373    H    SER  46           H        SER  46  -3.586  -2.323  12.945
  374    HA   SER  46           HA       SER  46  -4.542  -2.638  15.681
  375   1HB   SER  46          1HB       SER  46  -6.472  -3.811  14.944
  376   2HB   SER  46          2HB       SER  46  -6.365  -2.427  13.875
  377    HG   SER  46           HG       SER  46  -6.780  -4.483  12.763
  378    H    LEU  47           H        LEU  47  -5.040  -5.311  15.833
  379    HA   LEU  47           HA       LEU  47  -2.397  -6.417  15.485
  380   1HB   LEU  47          1HB       LEU  47  -4.898  -7.294  16.908
  381   2HB   LEU  47          2HB       LEU  47  -3.533  -8.373  16.698
  382    HG   LEU  47           HG       LEU  47  -2.116  -6.549  17.822
  383   1HD1  LEU  47          1HD1      LEU  47  -4.891  -5.520  18.439
  384   2HD1  LEU  47          2HD1      LEU  47  -3.457  -5.113  19.413
  385   3HD1  LEU  47          3HD1      LEU  47  -3.527  -4.651  17.695
  386   1HD2  LEU  47          1HD2      LEU  47  -4.243  -8.008  19.413
  387   2HD2  LEU  47          2HD2      LEU  47  -2.666  -8.657  18.901
  388   3HD2  LEU  47          3HD2      LEU  47  -2.740  -7.318  20.072
  389    H    LEU  48           H        LEU  48  -5.352  -6.240  13.729
  390    HA   LEU  48           HA       LEU  48  -4.843  -8.769  12.374
  391   1HB   LEU  48          1HB       LEU  48  -7.112  -8.279  13.109
  392   2HB   LEU  48          2HB       LEU  48  -7.120  -6.792  12.182
  393    HG   LEU  48           HG       LEU  48  -6.814  -8.186  10.097
  394   1HD1  LEU  48          1HD1      LEU  48  -7.306 -10.444  12.051
  395   2HD1  LEU  48          2HD1      LEU  48  -7.496 -10.590  10.287
  396   3HD1  LEU  48          3HD1      LEU  48  -5.902 -10.207  10.982
  397   1HD2  LEU  48          1HD2      LEU  48  -8.974  -7.242  10.715
  398   2HD2  LEU  48          2HD2      LEU  48  -9.173  -8.848   9.973
  399   3HD2  LEU  48          3HD2      LEU  48  -9.319  -8.658  11.737
  400    H    VAL  49           H        VAL  49  -5.677  -5.386  11.328
  401    HA   VAL  49           HA       VAL  49  -3.879  -5.823   9.055
  402    HB   VAL  49           HB       VAL  49  -5.158  -4.230   7.880
  403   1HG1  VAL  49          1HG1      VAL  49  -6.179  -6.494   8.163
  404   2HG1  VAL  49          2HG1      VAL  49  -7.160  -5.840   9.496
  405   3HG1  VAL  49          3HG1      VAL  49  -7.365  -5.206   7.846
  406   1HG2  VAL  49          1HG2      VAL  49  -6.477  -3.557  10.529
  407   2HG2  VAL  49          2HG2      VAL  49  -5.435  -2.508   9.539
  408   3HG2  VAL  49          3HG2      VAL  49  -7.048  -2.974   8.947
  409    H    LYS  50           H        LYS  50  -2.559  -3.918   8.354
  410    HA   LYS  50           HA       LYS  50  -1.970  -2.101  10.567
  411   1HB   LYS  50          1HB       LYS  50  -0.423  -4.143  10.539
  412   2HB   LYS  50          2HB       LYS  50   0.225  -3.510   9.038
  413   1HG   LYS  50          1HG       LYS  50   0.855  -1.397  10.145
  414   2HG   LYS  50          2HG       LYS  50   0.086  -1.907  11.635
  415   1HD   LYS  50          1HD       LYS  50   2.237  -3.657  10.418
  416   2HD   LYS  50          2HD       LYS  50   2.710  -2.215  11.295
  417   1HE   LYS  50          1HE       LYS  50   1.461  -2.992  13.299
  418   2HE   LYS  50          2HE       LYS  50   0.902  -4.405  12.427
  419   1HZ   LYS  50          1HZ       LYS  50   3.717  -3.765  12.978
  420   2HZ   LYS  50          2HZ       LYS  50   2.828  -4.891  13.757
  421   3HZ   LYS  50          3HZ       LYS  50   3.190  -5.087  12.177
  422    H    TYR  51           H        TYR  51  -1.865  -0.016   9.898
  423    HA   TYR  51           HA       TYR  51  -1.719   0.398   6.992
  424   1HB   TYR  51          1HB       TYR  51  -3.042   1.685   9.416
  425   2HB   TYR  51          2HB       TYR  51  -2.646   2.736   8.071
  426    HD1  TYR  51           HD1      TYR  51  -3.765   2.451   5.880
  427    HD2  TYR  51           HD2      TYR  51  -4.838   0.063   9.263
  428    HE1  TYR  51           HE1      TYR  51  -5.922   1.766   4.721
  429    HE2  TYR  51           HE2      TYR  51  -6.992  -0.614   8.092
  430    HH   TYR  51           HH       TYR  51  -7.702   0.550   4.810
  431    H    VAL  52           H        VAL  52   0.404   0.777   6.463
  432    HA   VAL  52           HA       VAL  52   1.928   2.518   8.250
  433    HB   VAL  52           HB       VAL  52   2.631   0.523   6.113
  434   1HG1  VAL  52          1HG1      VAL  52   4.441   2.652   7.295
  435   2HG1  VAL  52          2HG1      VAL  52   5.026   1.202   6.445
  436   3HG1  VAL  52          3HG1      VAL  52   4.034   2.400   5.581
  437   1HG2  VAL  52          1HG2      VAL  52   2.257  -0.160   8.518
  438   2HG2  VAL  52          2HG2      VAL  52   3.853  -0.575   7.847
  439   3HG2  VAL  52          3HG2      VAL  52   3.682   0.818   8.941
  440    H    CYS  53           H        CYS  53   2.499   4.579   7.675
  441    HA   CYS  53           HA       CYS  53   1.680   5.389   4.981
  442   1HB   CYS  53          1HB       CYS  53   1.926   7.221   7.363
  443   2HB   CYS  53          2HB       CYS  53   1.182   7.556   5.812
  444    H    CYS  54           H        CYS  54   3.183   6.663   3.764
  445    HA   CYS  54           HA       CYS  54   5.760   7.125   5.051
  446   1HB   CYS  54          1HB       CYS  54   6.671   6.439   2.655
  447   2HB   CYS  54          2HB       CYS  54   6.505   5.297   3.973
  448    H    ASN  55           H        ASN  55   6.881   8.977   4.157
  449    HA   ASN  55           HA       ASN  55   5.098  10.637   2.575
  450   1HB   ASN  55          1HB       ASN  55   6.581  12.526   3.384
  451   2HB   ASN  55          2HB       ASN  55   5.803  11.658   4.693
  452   1HD2  ASN  55          2HD2      ASN  55   8.629  12.938   3.637
  453   2HD2  ASN  55          1HD2      ASN  55   9.782  12.035   4.563
  454    H    THR  56           H        THR  56   6.401   8.635   1.112
  455    HA   THR  56           HA       THR  56   8.447  10.177  -0.329
  456    HB   THR  56           HB       THR  56   9.440   7.726  -0.669
  457    HG1  THR  56           HG1      THR  56   8.850   6.433   1.206
  458   1HG2  THR  56          1HG2      THR  56  10.579   9.569   0.666
  459   2HG2  THR  56          2HG2      THR  56   9.635   9.054   2.084
  460   3HG2  THR  56          3HG2      THR  56  10.822   7.946   1.354
  461    H    ASP  57           H        ASP  57   8.625   9.697  -2.603
  462    HA   ASP  57           HA       ASP  57   6.077   9.313  -3.711
  463   1HB   ASP  57          1HB       ASP  57   8.858   9.428  -4.969
  464   2HB   ASP  57          2HB       ASP  57   7.378   9.398  -5.907
  465    H    LYS  58           H        LYS  58   5.331   7.501  -5.017
  466    HA   LYS  58           HA       LYS  58   5.027   5.306  -5.274
  467   1HB   LYS  58          1HB       LYS  58   7.859   5.611  -6.315
  468   2HB   LYS  58          2HB       LYS  58   6.825   4.232  -6.632
  469   1HG   LYS  58          1HG       LYS  58   5.112   5.782  -7.645
  470   2HG   LYS  58          2HG       LYS  58   6.203   7.128  -7.382
  471   1HD   LYS  58          1HD       LYS  58   7.943   5.882  -8.783
  472   2HD   LYS  58          2HD       LYS  58   6.706   4.701  -9.163
  473   1HE   LYS  58          1HE       LYS  58   6.480   7.695  -9.740
  474   2HE   LYS  58          2HE       LYS  58   6.934   6.485 -10.924
  475   1HZ   LYS  58          1HZ       LYS  58   4.779   5.387 -10.360
  476   2HZ   LYS  58          2HZ       LYS  58   4.366   6.736  -9.538
  477   3HZ   LYS  58          3HZ       LYS  58   4.652   6.814 -11.144
  478    H    CYS  59           H        CYS  59   5.336   5.701  -2.624
  479    HA   CYS  59           HA       CYS  59   7.441   3.915  -1.729
  480   1HB   CYS  59          1HB       CYS  59   7.108   4.747   0.424
  481   2HB   CYS  59          2HB       CYS  59   6.976   6.141  -0.630
  482    H    ASN  60           H        ASN  60   3.844   4.356  -1.707
  483    HA   ASN  60           HA       ASN  60   3.534   1.734  -0.582
  484   1HB   ASN  60          1HB       ASN  60   1.161   2.289  -0.460
  485   2HB   ASN  60          2HB       ASN  60   2.051   3.712   0.046
  486   1HD2  ASN  60          2HD2      ASN  60  -0.521   3.923  -0.784
  487   2HD2  ASN  60          1HD2      ASN  60  -0.630   4.746  -2.304
  488   1H    HOH  61          1H        HOH  61   0.084  -8.128   2.818
  489   2H    HOH  61          2H        HOH  61  -0.851  -9.264   3.172
  490   1H    HOH  62          1H        HOH  62   7.004  -9.744   4.720
  491   2H    HOH  62          2H        HOH  62   8.185 -10.251   3.920
  Start of MODEL   16
    1    H    LEU   1           H        LEU   1   4.265  14.999  -4.798
    2    HA   LEU   1           HA       LEU   1   3.045  13.404  -3.615
    3   1HB   LEU   1          1HB       LEU   1   1.209  15.662  -4.426
    4   2HB   LEU   1          2HB       LEU   1   0.918  14.571  -3.086
    5    HG   LEU   1           HG       LEU   1   3.429  16.239  -3.244
    6   1HD1  LEU   1          1HD1      LEU   1   0.667  17.072  -2.451
    7   2HD1  LEU   1          2HD1      LEU   1   2.058  17.703  -1.536
    8   3HD1  LEU   1          3HD1      LEU   1   1.945  17.984  -3.290
    9   1HD2  LEU   1          1HD2      LEU   1   1.980  14.792  -1.020
   10   2HD2  LEU   1          2HD2      LEU   1   3.619  14.497  -1.650
   11   3HD2  LEU   1          3HD2      LEU   1   3.271  15.984  -0.735
   12    H    LYS   2           H        LYS   2   3.239  11.700  -5.416
   13    HA   LYS   2           HA       LYS   2   0.510  11.026  -6.216
   14   1HB   LYS   2          1HB       LYS   2   1.327  10.280  -8.424
   15   2HB   LYS   2          2HB       LYS   2   1.474  12.011  -8.195
   16   1HG   LYS   2          1HG       LYS   2   3.886  11.727  -7.588
   17   2HG   LYS   2          2HG       LYS   2   3.740   9.996  -7.816
   18   1HD   LYS   2          1HD       LYS   2   3.100  10.369 -10.210
   19   2HD   LYS   2          2HD       LYS   2   3.256  12.099  -9.980
   20   1HE   LYS   2          1HE       LYS   2   5.669  11.803  -9.378
   21   2HE   LYS   2          2HE       LYS   2   5.514  10.072  -9.606
   22   1HZ   LYS   2          1HZ       LYS   2   4.912  10.488 -11.896
   23   2HZ   LYS   2          2HZ       LYS   2   5.057  12.101 -11.683
   24   3HZ   LYS   2          3HZ       LYS   2   6.372  11.140 -11.562
   25    H    CYS   3           H        CYS   3  -0.018   8.894  -5.868
   26    HA   CYS   3           HA       CYS   3   2.216   7.146  -5.144
   27   1HB   CYS   3          1HB       CYS   3  -0.438   6.972  -3.747
   28   2HB   CYS   3          2HB       CYS   3   1.104   6.287  -3.277
   29    H    LYS   4           H        LYS   4   1.350   4.731  -5.185
   30    HA   LYS   4           HA       LYS   4  -0.068   4.455  -7.703
   31   1HB   LYS   4          1HB       LYS   4   1.617   2.603  -6.015
   32   2HB   LYS   4          2HB       LYS   4   0.643   2.006  -7.343
   33   1HG   LYS   4          1HG       LYS   4   2.412   4.391  -7.869
   34   2HG   LYS   4          2HG       LYS   4   3.186   2.828  -7.698
   35   1HD   LYS   4          1HD       LYS   4   1.702   1.888  -9.473
   36   2HD   LYS   4          2HD       LYS   4   0.899   3.437  -9.633
   37   1HE   LYS   4          1HE       LYS   4   3.096   4.489 -10.271
   38   2HE   LYS   4          2HE       LYS   4   3.867   2.919 -10.155
   39   1HZ   LYS   4          1HZ       LYS   4   1.652   3.584 -11.969
   40   2HZ   LYS   4          2HZ       LYS   4   3.219   3.420 -12.400
   41   3HZ   LYS   4          3HZ       LYS   4   2.380   2.126 -11.865
   42    H    LYS   5           H        LYS   5  -1.855   2.895  -7.930
   43    HA   LYS   5           HA       LYS   5  -3.592   3.093  -5.614
   44   1HB   LYS   5          1HB       LYS   5  -4.147   2.201  -8.459
   45   2HB   LYS   5          2HB       LYS   5  -5.349   2.389  -7.199
   46   1HG   LYS   5          1HG       LYS   5  -4.142   4.840  -7.042
   47   2HG   LYS   5          2HG       LYS   5  -3.862   4.486  -8.736
   48   1HD   LYS   5          1HD       LYS   5  -6.608   4.256  -7.423
   49   2HD   LYS   5          2HD       LYS   5  -6.047   5.718  -8.210
   50   1HE   LYS   5          1HE       LYS   5  -5.723   4.447 -10.343
   51   2HE   LYS   5          2HE       LYS   5  -6.276   2.982  -9.557
   52   1HZ   LYS   5          1HZ       LYS   5  -7.864   5.435  -9.872
   53   2HZ   LYS   5          2HZ       LYS   5  -8.044   4.065 -10.743
   54   3HZ   LYS   5          3HZ       LYS   5  -8.379   4.067  -9.145
   55    H    LEU   6           H        LEU   6  -5.226   0.855  -5.931
   56    HA   LEU   6           HA       LEU   6  -3.907  -1.041  -4.461
   57   1HB   LEU   6          1HB       LEU   6  -6.158  -1.715  -6.333
   58   2HB   LEU   6          2HB       LEU   6  -5.793  -2.400  -4.763
   59    HG   LEU   6           HG       LEU   6  -6.219   0.265  -4.162
   60   1HD1  LEU   6          1HD1      LEU   6  -7.055   0.338  -6.646
   61   2HD1  LEU   6          2HD1      LEU   6  -8.517  -0.412  -5.962
   62   3HD1  LEU   6          3HD1      LEU   6  -7.962   1.168  -5.359
   63   1HD2  LEU   6          1HD2      LEU   6  -6.995  -1.664  -2.878
   64   2HD2  LEU   6          2HD2      LEU   6  -8.316  -0.506  -3.166
   65   3HD2  LEU   6          3HD2      LEU   6  -8.225  -2.007  -4.118
   66    H    VAL   7           H        VAL   7  -4.109  -0.632  -8.011
   67    HA   VAL   7           HA       VAL   7  -2.514  -3.062  -8.327
   68    HB   VAL   7           HB       VAL   7  -3.889  -1.334 -10.393
   69   1HG1  VAL   7          1HG1      VAL   7  -1.966  -2.696 -11.210
   70   2HG1  VAL   7          2HG1      VAL   7  -2.800  -4.158 -10.631
   71   3HG1  VAL   7          3HG1      VAL   7  -3.526  -3.173 -11.923
   72   1HG2  VAL   7          1HG2      VAL   7  -4.816  -3.858  -8.988
   73   2HG2  VAL   7          2HG2      VAL   7  -5.593  -2.257  -8.978
   74   3HG2  VAL   7          3HG2      VAL   7  -5.555  -3.219 -10.475
   75    HA   PRO   8           HA       PRO   8   0.965  -0.502  -8.823
   76   1HB   PRO   8          1HB       PRO   8   2.792  -2.442  -9.429
   77   2HB   PRO   8          2HB       PRO   8   2.330  -2.039  -7.787
   78   1HG   PRO   8          1HG       PRO   8   1.555  -4.386  -9.408
   79   2HG   PRO   8          2HG       PRO   8   1.464  -4.174  -7.671
   80   1HD   PRO   8          1HD       PRO   8  -0.714  -4.037  -9.533
   81   2HD   PRO   8          2HD       PRO   8  -0.783  -3.710  -7.812
   82    H    LEU   9           H        LEU   9  -0.652   0.031 -10.789
   83    HA   LEU   9           HA       LEU   9   1.189   0.005 -13.034
   84   1HB   LEU   9          1HB       LEU   9  -1.483  -1.338 -12.989
   85   2HB   LEU   9          2HB       LEU   9  -0.948  -0.549 -14.460
   86    HG   LEU   9           HG       LEU   9   0.839  -2.540 -13.083
   87   1HD1  LEU   9          1HD1      LEU   9  -1.462  -3.194 -14.940
   88   2HD1  LEU   9          2HD1      LEU   9  -0.144  -4.314 -14.523
   89   3HD1  LEU   9          3HD1      LEU   9  -1.245  -3.725 -13.255
   90   1HD2  LEU   9          1HD2      LEU   9   1.804  -1.189 -14.868
   91   2HD2  LEU   9          2HD2      LEU   9   1.683  -2.896 -15.358
   92   3HD2  LEU   9          3HD2      LEU   9   0.513  -1.707 -15.979
   93    H    PHE  10           H        PHE  10  -1.981   1.036 -11.639
   94    HA   PHE  10           HA       PHE  10  -1.752   3.504 -13.181
   95   1HB   PHE  10          1HB       PHE  10  -3.893   1.956 -11.656
   96   2HB   PHE  10          2HB       PHE  10  -4.145   3.668 -11.929
   97    HD1  PHE  10           HD1      PHE  10  -3.795   0.396 -13.569
   98    HD2  PHE  10           HD2      PHE  10  -4.695   4.508 -14.109
   99    HE1  PHE  10           HE1      PHE  10  -4.700  -0.102 -15.856
  100    HE2  PHE  10           HE2      PHE  10  -5.600   4.009 -16.396
  101    HZ   PHE  10           HZ       PHE  10  -5.591   1.710 -17.243
  102    H    SER  11           H        SER  11  -1.457   5.511 -12.227
  103    HA   SER  11           HA       SER  11  -1.190   5.439  -9.322
  104   1HB   SER  11          1HB       SER  11   0.439   7.453  -9.816
  105   2HB   SER  11          2HB       SER  11   1.011   5.807 -10.002
  106    HG   SER  11           HG       SER  11   0.117   7.602 -12.089
  107    H    LYS  12           H        LYS  12  -1.860   7.399  -8.168
  108    HA   LYS  12           HA       LYS  12  -3.364   9.305  -9.795
  109   1HB   LYS  12          1HB       LYS  12  -5.016   7.684  -9.090
  110   2HB   LYS  12          2HB       LYS  12  -4.462   7.760  -7.430
  111   1HG   LYS  12          1HG       LYS  12  -5.117  10.155  -7.295
  112   2HG   LYS  12          2HG       LYS  12  -5.611  10.133  -8.976
  113   1HD   LYS  12          1HD       LYS  12  -7.301   8.339  -8.421
  114   2HD   LYS  12          2HD       LYS  12  -6.841   8.460  -6.734
  115   1HE   LYS  12          1HE       LYS  12  -7.895  10.807  -8.384
  116   2HE   LYS  12          2HE       LYS  12  -8.898   9.814  -7.345
  117   1HZ   LYS  12          1HZ       LYS  12  -7.298  10.419  -5.540
  118   2HZ   LYS  12          2HZ       LYS  12  -6.676  11.546  -6.545
  119   3HZ   LYS  12          3HZ       LYS  12  -8.240  11.638  -6.084
  120    H    THR  13           H        THR  13  -3.152  11.415  -9.116
  121    HA   THR  13           HA       THR  13  -1.197  11.861  -7.035
  122    HB   THR  13           HB       THR  13  -2.739  13.806  -8.831
  123    HG1  THR  13           HG1      THR  13  -0.907  13.418 -10.216
  124   1HG2  THR  13          1HG2      THR  13  -1.375  14.719  -6.809
  125   2HG2  THR  13          2HG2      THR  13   0.059  14.070  -7.639
  126   3HG2  THR  13          3HG2      THR  13  -0.922  15.335  -8.417
  127    H    CYS  14           H        CYS  14  -1.587  12.268  -4.955
  128    HA   CYS  14           HA       CYS  14  -4.171  12.187  -3.949
  129   1HB   CYS  14          1HB       CYS  14  -1.890  13.480  -2.480
  130   2HB   CYS  14          2HB       CYS  14  -3.230  12.551  -1.837
  131    HA   PRO  15           HA       PRO  15  -5.310  16.346  -4.706
  132   1HB   PRO  15          1HB       PRO  15  -7.719  16.355  -3.414
  133   2HB   PRO  15          2HB       PRO  15  -7.510  15.759  -5.049
  134   1HG   PRO  15          1HG       PRO  15  -7.885  14.224  -2.550
  135   2HG   PRO  15          2HG       PRO  15  -8.098  13.694  -4.207
  136   1HD   PRO  15          1HD       PRO  15  -5.882  13.097  -2.486
  137   2HD   PRO  15          2HD       PRO  15  -6.042  12.665  -4.177
  138    H    ALA  16           H        ALA  16  -6.270  18.336  -3.445
  139    HA   ALA  16           HA       ALA  16  -4.343  18.981  -1.569
  140   1HB   ALA  16          1HB       ALA  16  -7.147  20.095  -1.985
  141   2HB   ALA  16          2HB       ALA  16  -5.847  20.898  -1.073
  142   3HB   ALA  16          3HB       ALA  16  -5.667  20.622  -2.822
  143    H    GLY  17           H        GLY  17  -4.113  18.665   0.613
  144   1HA   GLY  17          1HA       GLY  17  -5.177  18.480   2.767
  145   2HA   GLY  17          2HA       GLY  17  -6.414  17.475   2.039
  146    H    LYS  18           H        LYS  18  -4.743  15.815   0.360
  147    HA   LYS  18           HA       LYS  18  -3.427  14.264   2.470
  148   1HB   LYS  18          1HB       LYS  18  -4.505  13.342  -0.211
  149   2HB   LYS  18          2HB       LYS  18  -3.808  12.322   1.031
  150   1HG   LYS  18          1HG       LYS  18  -5.609  12.836   2.587
  151   2HG   LYS  18          2HG       LYS  18  -6.223  14.110   1.551
  152   1HD   LYS  18          1HD       LYS  18  -6.925  12.513  -0.146
  153   2HD   LYS  18          2HD       LYS  18  -6.072  11.202   0.645
  154   1HE   LYS  18          1HE       LYS  18  -8.433  10.987   1.193
  155   2HE   LYS  18          2HE       LYS  18  -7.590  11.473   2.650
  156   1HZ   LYS  18          1HZ       LYS  18  -8.887  13.391   0.847
  157   2HZ   LYS  18          2HZ       LYS  18  -9.630  12.739   2.147
  158   3HZ   LYS  18          3HZ       LYS  18  -8.310  13.679   2.348
  159    H    ASN  19           H        ASN  19  -1.269  13.726   2.329
  160    HA   ASN  19           HA       ASN  19   0.062  14.319  -0.161
  161   1HB   ASN  19          1HB       ASN  19   0.703  15.612   2.529
  162   2HB   ASN  19          2HB       ASN  19   1.929  15.466   1.285
  163   1HD2  ASN  19          2HD2      ASN  19   0.890  17.869   2.373
  164   2HD2  ASN  19          1HD2      ASN  19   0.126  18.775   1.110
  165    H    LEU  20           H        LEU  20  -0.736  11.976   1.707
  166    HA   LEU  20           HA       LEU  20   1.966  10.867   1.961
  167   1HB   LEU  20          1HB       LEU  20  -0.276  10.702   3.975
  168   2HB   LEU  20          2HB       LEU  20   1.135   9.664   3.999
  169    HG   LEU  20           HG       LEU  20   1.288  12.684   4.148
  170   1HD1  LEU  20          1HD1      LEU  20   0.000  11.779   6.050
  171   2HD1  LEU  20          2HD1      LEU  20   1.369  10.714   6.449
  172   3HD1  LEU  20          3HD1      LEU  20   1.558  12.481   6.545
  173   1HD2  LEU  20          1HD2      LEU  20   3.300  10.465   4.522
  174   2HD2  LEU  20          2HD2      LEU  20   3.364  11.857   3.415
  175   3HD2  LEU  20          3HD2      LEU  20   3.552  12.104   5.168
  176    H    CYS  21           H        CYS  21   1.910   8.406   1.995
  177    HA   CYS  21           HA       CYS  21  -0.280   7.526   0.257
  178   1HB   CYS  21          1HB       CYS  21   2.496   6.343   0.309
  179   2HB   CYS  21          2HB       CYS  21   1.216   6.043  -0.850
  180    H    TYR  22           H        TYR  22  -1.649   6.172   1.361
  181    HA   TYR  22           HA       TYR  22  -0.597   4.781   3.701
  182   1HB   TYR  22          1HB       TYR  22  -2.875   4.883   4.378
  183   2HB   TYR  22          2HB       TYR  22  -2.828   6.273   3.312
  184    HD1  TYR  22           HD1      TYR  22  -3.448   2.573   3.144
  185    HD2  TYR  22           HD2      TYR  22  -4.467   6.461   1.677
  186    HE1  TYR  22           HE1      TYR  22  -5.304   1.561   1.730
  187    HE2  TYR  22           HE2      TYR  22  -6.319   5.436   0.269
  188    HH   TYR  22           HH       TYR  22  -6.862   1.922   0.286
  189    H    LYS  23           H        LYS  23  -0.703   2.522   3.966
  190    HA   LYS  23           HA       LYS  23  -1.645   1.009   1.651
  191   1HB   LYS  23          1HB       LYS  23   0.897   1.486   1.603
  192   2HB   LYS  23          2HB       LYS  23   1.004   0.364   2.944
  193   1HG   LYS  23          1HG       LYS  23  -0.124  -1.394   1.580
  194   2HG   LYS  23          2HG       LYS  23  -0.275  -0.272   0.242
  195   1HD   LYS  23          1HD       LYS  23   1.676  -1.501  -0.301
  196   2HD   LYS  23          2HD       LYS  23   2.315  -0.019   0.383
  197   1HE   LYS  23          1HE       LYS  23   2.720  -1.096   2.538
  198   2HE   LYS  23          2HE       LYS  23   1.849  -2.535   2.048
  199   1HZ   LYS  23          1HZ       LYS  23   4.318  -1.557   0.789
  200   2HZ   LYS  23          2HZ       LYS  23   4.223  -2.801   1.843
  201   3HZ   LYS  23          3HZ       LYS  23   3.517  -2.918   0.375
  202    H    MET  24           H        MET  24  -2.771  -0.821   2.202
  203    HA   MET  24           HA       MET  24  -2.786  -1.411   5.060
  204   1HB   MET  24          1HB       MET  24  -4.919  -0.499   3.863
  205   2HB   MET  24          2HB       MET  24  -4.987  -2.037   3.025
  206   1HG   MET  24          1HG       MET  24  -4.795  -1.960   6.057
  207   2HG   MET  24          2HG       MET  24  -6.344  -1.741   5.266
  208   1HE   MET  24          1HE       MET  24  -7.544  -3.730   6.108
  209   2HE   MET  24          2HE       MET  24  -7.778  -3.633   4.346
  210   3HE   MET  24          3HE       MET  24  -7.496  -5.210   5.121
  211    H    PHE  25           H        PHE  25  -2.047  -3.402   5.675
  212    HA   PHE  25           HA       PHE  25  -2.277  -5.581   3.754
  213   1HB   PHE  25          1HB       PHE  25   0.140  -6.153   4.308
  214   2HB   PHE  25          2HB       PHE  25  -0.002  -4.616   3.477
  215    HD1  PHE  25           HD1      PHE  25   0.161  -2.491   4.802
  216    HD2  PHE  25           HD2      PHE  25   1.041  -6.280   6.497
  217    HE1  PHE  25           HE1      PHE  25   1.408  -1.367   6.669
  218    HE2  PHE  25           HE2      PHE  25   2.288  -5.156   8.363
  219    HZ   PHE  25           HZ       PHE  25   2.456  -2.713   8.427
  220    H    MET  26           H        MET  26  -1.691  -7.744   4.853
  221    HA   MET  26           HA       MET  26  -2.975  -7.693   7.429
  222   1HB   MET  26          1HB       MET  26  -2.328  -9.736   5.296
  223   2HB   MET  26          2HB       MET  26  -2.504 -10.340   6.932
  224   1HG   MET  26          1HG       MET  26  -4.735 -10.438   6.373
  225   2HG   MET  26          2HG       MET  26  -4.718  -8.744   6.820
  226   1HE   MET  26          1HE       MET  26  -6.953  -9.719   5.005
  227   2HE   MET  26          2HE       MET  26  -6.688  -7.995   5.360
  228   3HE   MET  26          3HE       MET  26  -6.943  -8.529   3.681
  229    H    VAL  27           H        VAL  27  -1.967  -8.071   9.385
  230    HA   VAL  27           HA       VAL  27   0.849  -7.970   9.470
  231    HB   VAL  27           HB       VAL  27  -0.654  -7.013  11.157
  232   1HG1  VAL  27          1HG1      VAL  27  -1.899  -9.533  11.083
  233   2HG1  VAL  27          2HG1      VAL  27  -1.158  -9.416  12.697
  234   3HG1  VAL  27          3HG1      VAL  27  -2.294  -8.161  12.146
  235   1HG2  VAL  27          1HG2      VAL  27   1.244  -9.130  12.227
  236   2HG2  VAL  27          2HG2      VAL  27   1.666  -7.465  11.758
  237   3HG2  VAL  27          3HG2      VAL  27   0.602  -7.753  13.155
  238    H    ALA  28           H        ALA  28   1.271  -9.824   7.965
  239    HA   ALA  28           HA       ALA  28   2.020 -12.092   9.456
  240   1HB   ALA  28          1HB       ALA  28  -0.449 -12.305   7.698
  241   2HB   ALA  28          2HB       ALA  28   0.542 -13.713   8.149
  242   3HB   ALA  28          3HB       ALA  28  -0.276 -12.761   9.410
  243    H    ALA  29           H        ALA  29   1.172 -10.647   6.266
  244    HA   ALA  29           HA       ALA  29   3.658 -11.833   5.233
  245   1HB   ALA  29          1HB       ALA  29   1.027 -11.282   3.802
  246   2HB   ALA  29          2HB       ALA  29   2.523 -11.838   3.014
  247   3HB   ALA  29          3HB       ALA  29   1.703 -12.880   4.201
  248    HA   PRO  30           HA       PRO  30   4.046  -7.342   5.144
  249   1HB   PRO  30          1HB       PRO  30   6.556  -7.192   6.216
  250   2HB   PRO  30          2HB       PRO  30   5.095  -7.059   7.174
  251   1HG   PRO  30          1HG       PRO  30   6.966  -9.337   6.953
  252   2HG   PRO  30          2HG       PRO  30   5.768  -9.016   8.191
  253   1HD   PRO  30          1HD       PRO  30   5.555 -10.909   6.047
  254   2HD   PRO  30          2HD       PRO  30   4.313 -10.505   7.216
  255    H    HIS  31           H        HIS  31   3.958  -8.485   2.843
  256    HA   HIS  31           HA       HIS  31   6.277  -7.369   1.567
  257   1HB   HIS  31          1HB       HIS  31   7.133  -9.567   2.023
  258   2HB   HIS  31          2HB       HIS  31   5.668 -10.330   1.437
  259    HD1  HIS  31           HD1      HIS  31   8.156  -7.827  -0.102
  260    HD2  HIS  31           HD2      HIS  31   6.123 -11.377  -1.028
  261    HE1  HIS  31           HE1      HIS  31   8.856  -8.453  -2.474
  262    H    VAL  32           H        VAL  32   3.229  -9.292   1.283
  263    HA   VAL  32           HA       VAL  32   2.722  -7.949  -1.265
  264    HB   VAL  32           HB       VAL  32   1.376 -10.310   0.064
  265   1HG1  VAL  32          1HG1      VAL  32   0.997  -9.078  -2.685
  266   2HG1  VAL  32          2HG1      VAL  32   0.334 -10.650  -2.177
  267   3HG1  VAL  32          3HG1      VAL  32  -0.196  -9.157  -1.367
  268   1HG2  VAL  32          1HG2      VAL  32   3.403 -10.164  -2.191
  269   2HG2  VAL  32          2HG2      VAL  32   3.627 -10.898  -0.585
  270   3HG2  VAL  32          3HG2      VAL  32   2.488 -11.625  -1.745
  271    HA   PRO  33           HA       PRO  33   0.065  -5.354   1.049
  272   1HB   PRO  33          1HB       PRO  33  -0.496  -3.582  -0.955
  273   2HB   PRO  33          2HB       PRO  33   0.914  -3.446   0.077
  274   1HG   PRO  33          1HG       PRO  33   0.754  -4.351  -2.733
  275   2HG   PRO  33          2HG       PRO  33   2.156  -3.809  -1.832
  276   1HD   PRO  33          1HD       PRO  33   1.477  -6.519  -2.481
  277   2HD   PRO  33          2HD       PRO  33   2.815  -5.984  -1.483
  278    H    VAL  34           H        VAL  34  -2.197  -4.194   0.528
  279    HA   VAL  34           HA       VAL  34  -3.763  -6.245  -0.868
  280    HB   VAL  34           HB       VAL  34  -4.518  -4.910   1.737
  281   1HG1  VAL  34          1HG1      VAL  34  -6.422  -5.542   0.304
  282   2HG1  VAL  34          2HG1      VAL  34  -5.805  -7.210   0.227
  283   3HG1  VAL  34          3HG1      VAL  34  -6.348  -6.534   1.781
  284   1HG2  VAL  34          1HG2      VAL  34  -2.575  -6.522   1.906
  285   2HG2  VAL  34          2HG2      VAL  34  -4.004  -6.941   2.880
  286   3HG2  VAL  34          3HG2      VAL  34  -3.685  -7.799   1.354
  287    H    LYS  35           H        LYS  35  -3.889  -2.947   0.663
  288    HA   LYS  35           HA       LYS  35  -5.222  -2.047  -1.791
  289   1HB   LYS  35          1HB       LYS  35  -5.970  -1.222   1.030
  290   2HB   LYS  35          2HB       LYS  35  -6.684  -0.616  -0.450
  291   1HG   LYS  35          1HG       LYS  35  -8.008  -2.459  -0.705
  292   2HG   LYS  35          2HG       LYS  35  -6.693  -3.563  -0.353
  293   1HD   LYS  35          1HD       LYS  35  -6.981  -3.227   2.066
  294   2HD   LYS  35          2HD       LYS  35  -8.171  -1.970   1.792
  295   1HE   LYS  35          1HE       LYS  35  -9.230  -4.092   0.331
  296   2HE   LYS  35          2HE       LYS  35  -8.487  -4.920   1.685
  297   1HZ   LYS  35          1HZ       LYS  35  -9.680  -3.407   3.153
  298   2HZ   LYS  35          2HZ       LYS  35 -10.415  -2.711   1.872
  299   3HZ   LYS  35          3HZ       LYS  35 -10.702  -4.279   2.225
  300    H    ARG  36           H        ARG  36  -4.766   0.156  -2.400
  301    HA   ARG  36           HA       ARG  36  -2.705   1.427  -0.835
  302   1HB   ARG  36          1HB       ARG  36  -2.360   1.162  -3.850
  303   2HB   ARG  36          2HB       ARG  36  -1.164   1.667  -2.672
  304   1HG   ARG  36          1HG       ARG  36  -1.817  -0.848  -1.720
  305   2HG   ARG  36          2HG       ARG  36  -2.018  -1.080  -3.445
  306   1HD   ARG  36          1HD       ARG  36   0.353   0.269  -3.473
  307   2HD   ARG  36          2HD       ARG  36   0.477  -0.467  -1.888
  308    HE   ARG  36           HE       ARG  36   0.778  -2.545  -2.912
  309   1HH1  ARG  36          1HH1      ARG  36  -0.697  -0.341  -5.225
  310   2HH1  ARG  36          2HH1      ARG  36  -0.587  -1.453  -6.549
  311   1HH2  ARG  36          1HH2      ARG  36   0.924  -4.012  -4.658
  312   2HH2  ARG  36          2HH2      ARG  36   0.342  -3.556  -6.224
  313    H    GLY  37           H        GLY  37  -3.235   3.585  -0.623
  314   1HA   GLY  37          1HA       GLY  37  -4.458   4.994  -2.859
  315   2HA   GLY  37          2HA       GLY  37  -5.446   4.825  -1.422
  316    H    CYS  38           H        CYS  38  -5.238   7.301  -1.561
  317    HA   CYS  38           HA       CYS  38  -2.697   8.166  -0.405
  318   1HB   CYS  38          1HB       CYS  38  -4.823   9.612  -1.971
  319   2HB   CYS  38          2HB       CYS  38  -3.665  10.485  -0.987
  320    H    ILE  39           H        ILE  39  -2.914   9.863   1.373
  321    HA   ILE  39           HA       ILE  39  -5.441  10.032   2.703
  322    HB   ILE  39           HB       ILE  39  -4.441   7.749   3.297
  323   1HG1  ILE  39          1HG1      ILE  39  -4.959   9.364   5.764
  324   2HG1  ILE  39          2HG1      ILE  39  -6.210   9.296   4.539
  325   1HG2  ILE  39          1HG2      ILE  39  -2.127   8.532   3.623
  326   2HG2  ILE  39          2HG2      ILE  39  -2.659   9.483   5.030
  327   3HG2  ILE  39          3HG2      ILE  39  -2.776   7.708   5.060
  328   1HD1  ILE  39          1HD1      ILE  39  -4.861   6.848   5.769
  329   2HD1  ILE  39          2HD1      ILE  39  -6.455   7.484   6.242
  330   3HD1  ILE  39          3HD1      ILE  39  -6.208   6.830   4.605
  331    H    ASP  40           H        ASP  40  -5.149  11.358   4.809
  332    HA   ASP  40           HA       ASP  40  -3.056  13.297   4.234
  333   1HB   ASP  40          1HB       ASP  40  -5.192  14.365   4.127
  334   2HB   ASP  40          2HB       ASP  40  -5.801  13.485   5.515
  335    H    VAL  41           H        VAL  41  -5.011  11.881   6.975
  336    HA   VAL  41           HA       VAL  41  -2.676  12.257   8.709
  337    HB   VAL  41           HB       VAL  41  -4.918  13.331   9.227
  338   1HG1  VAL  41          1HG1      VAL  41  -6.245  11.276   8.575
  339   2HG1  VAL  41          2HG1      VAL  41  -5.694  10.532  10.096
  340   3HG1  VAL  41          3HG1      VAL  41  -6.686  12.009  10.136
  341   1HG2  VAL  41          1HG2      VAL  41  -3.663  11.459  11.263
  342   2HG2  VAL  41          2HG2      VAL  41  -3.160  13.127  10.899
  343   3HG2  VAL  41          3HG2      VAL  41  -4.747  12.819  11.644
  344    H    CYS  42           H        CYS  42  -1.517  10.499   9.318
  345    HA   CYS  42           HA       CYS  42  -2.243   7.966   8.314
  346   1HB   CYS  42          1HB       CYS  42   0.093   8.859   8.677
  347   2HB   CYS  42          2HB       CYS  42  -0.135   8.576  10.391
  348    HA   PRO  43           HA       PRO  43  -4.779   7.011  11.786
  349   1HB   PRO  43          1HB       PRO  43  -5.742   4.623  10.872
  350   2HB   PRO  43          2HB       PRO  43  -6.458   6.167  10.455
  351   1HG   PRO  43          1HG       PRO  43  -4.768   4.398   8.794
  352   2HG   PRO  43          2HG       PRO  43  -5.824   5.701   8.286
  353   1HD   PRO  43          1HD       PRO  43  -2.963   5.784   8.468
  354   2HD   PRO  43          2HD       PRO  43  -4.027   7.119   8.072
  355    H    LYS  44           H        LYS  44  -5.227   4.926  13.207
  356    HA   LYS  44           HA       LYS  44  -2.547   4.179  14.015
  357   1HB   LYS  44          1HB       LYS  44  -4.588   4.977  15.498
  358   2HB   LYS  44          2HB       LYS  44  -5.035   3.284  15.430
  359   1HG   LYS  44          1HG       LYS  44  -2.234   3.303  15.942
  360   2HG   LYS  44          2HG       LYS  44  -2.900   4.562  16.963
  361   1HD   LYS  44          1HD       LYS  44  -4.527   2.983  17.934
  362   2HD   LYS  44          2HD       LYS  44  -4.020   1.723  16.827
  363   1HE   LYS  44          1HE       LYS  44  -2.053   3.047  18.740
  364   2HE   LYS  44          2HE       LYS  44  -3.028   1.676  19.231
  365   1HZ   LYS  44          1HZ       LYS  44  -2.117   0.495  17.287
  366   2HZ   LYS  44          2HZ       LYS  44  -1.107   1.748  17.013
  367   3HZ   LYS  44          3HZ       LYS  44  -0.984   0.888  18.395
  368    H    SER  45           H        SER  45  -2.066   1.863  14.553
  369    HA   SER  45           HA       SER  45  -3.191   0.226  12.437
  370   1HB   SER  45          1HB       SER  45  -0.571   0.274  13.921
  371   2HB   SER  45          2HB       SER  45  -1.121  -1.265  13.291
  372    HG   SER  45           HG       SER  45   0.254   0.046  11.814
  373    H    SER  46           H        SER  46  -3.512  -2.172  12.981
  374    HA   SER  46           HA       SER  46  -4.334  -2.425  15.768
  375   1HB   SER  46          1HB       SER  46  -6.301  -3.656  15.093
  376   2HB   SER  46          2HB       SER  46  -6.273  -2.166  14.172
  377    HG   SER  46           HG       SER  46  -6.762  -3.988  12.813
  378    H    LEU  47           H        LEU  47  -4.922  -5.081  15.970
  379    HA   LEU  47           HA       LEU  47  -2.337  -6.283  15.509
  380   1HB   LEU  47          1HB       LEU  47  -4.789  -7.049  17.076
  381   2HB   LEU  47          2HB       LEU  47  -3.476  -8.179  16.812
  382    HG   LEU  47           HG       LEU  47  -1.937  -6.395  17.831
  383   1HD1  LEU  47          1HD1      LEU  47  -4.635  -5.248  18.569
  384   2HD1  LEU  47          2HD1      LEU  47  -3.140  -4.884  19.464
  385   3HD1  LEU  47          3HD1      LEU  47  -3.277  -4.445  17.744
  386   1HD2  LEU  47          1HD2      LEU  47  -4.033  -7.744  19.556
  387   2HD2  LEU  47          2HD2      LEU  47  -2.511  -8.462  18.975
  388   3HD2  LEU  47          3HD2      LEU  47  -2.472  -7.104  20.124
  389    H    LEU  48           H        LEU  48  -5.322  -5.981  13.862
  390    HA   LEU  48           HA       LEU  48  -5.042  -8.572  12.564
  391   1HB   LEU  48          1HB       LEU  48  -7.245  -7.842  13.352
  392   2HB   LEU  48          2HB       LEU  48  -7.157  -6.427  12.321
  393    HG   LEU  48           HG       LEU  48  -7.000  -8.004  10.339
  394   1HD1  LEU  48          1HD1      LEU  48  -7.698 -10.034  12.472
  395   2HD1  LEU  48          2HD1      LEU  48  -7.921 -10.301  10.726
  396   3HD1  LEU  48          3HD1      LEU  48  -6.289 -10.030  11.384
  397   1HD2  LEU  48          1HD2      LEU  48  -9.043  -6.794  10.887
  398   2HD2  LEU  48          2HD2      LEU  48  -9.416  -8.426  10.282
  399   3HD2  LEU  48          3HD2      LEU  48  -9.518  -8.079  12.024
  400    H    VAL  49           H        VAL  49  -5.614  -5.157  11.447
  401    HA   VAL  49           HA       VAL  49  -3.845  -5.787   9.190
  402    HB   VAL  49           HB       VAL  49  -5.077  -4.238   7.901
  403   1HG1  VAL  49          1HG1      VAL  49  -6.117  -6.484   8.285
  404   2HG1  VAL  49          2HG1      VAL  49  -7.134  -5.746   9.545
  405   3HG1  VAL  49          3HG1      VAL  49  -7.282  -5.209   7.855
  406   1HG2  VAL  49          1HG2      VAL  49  -6.464  -3.430  10.477
  407   2HG2  VAL  49          2HG2      VAL  49  -5.378  -2.437   9.476
  408   3HG2  VAL  49          3HG2      VAL  49  -6.975  -2.913   8.852
  409    H    LYS  50           H        LYS  50  -2.367  -4.082   8.469
  410    HA   LYS  50           HA       LYS  50  -1.795  -2.141  10.594
  411   1HB   LYS  50          1HB       LYS  50   0.049  -4.106   9.265
  412   2HB   LYS  50          2HB       LYS  50   0.675  -2.561   9.804
  413   1HG   LYS  50          1HG       LYS  50  -0.973  -3.551  11.929
  414   2HG   LYS  50          2HG       LYS  50   0.002  -4.903  11.389
  415   1HD   LYS  50          1HD       LYS  50   2.069  -3.651  11.722
  416   2HD   LYS  50          2HD       LYS  50   1.191  -2.160  11.996
  417   1HE   LYS  50          1HE       LYS  50   1.905  -3.073  14.157
  418   2HE   LYS  50          2HE       LYS  50   0.157  -3.153  14.055
  419   1HZ   LYS  50          1HZ       LYS  50   1.875  -5.412  13.314
  420   2HZ   LYS  50          2HZ       LYS  50   1.298  -5.203  14.828
  421   3HZ   LYS  50          3HZ       LYS  50   0.264  -5.431  13.584
  422    H    TYR  51           H        TYR  51  -1.564  -0.059   9.907
  423    HA   TYR  51           HA       TYR  51  -1.540   0.317   6.990
  424   1HB   TYR  51          1HB       TYR  51  -2.801   1.622   9.429
  425   2HB   TYR  51          2HB       TYR  51  -2.381   2.689   8.104
  426    HD1  TYR  51           HD1      TYR  51  -3.488   2.439   5.889
  427    HD2  TYR  51           HD2      TYR  51  -4.665   0.093   9.268
  428    HE1  TYR  51           HE1      TYR  51  -5.666   1.837   4.723
  429    HE2  TYR  51           HE2      TYR  51  -6.838  -0.501   8.090
  430    HH   TYR  51           HH       TYR  51  -7.505   0.717   4.817
  431    H    VAL  52           H        VAL  52   0.502   0.782   6.308
  432    HA   VAL  52           HA       VAL  52   2.148   2.443   8.070
  433    HB   VAL  52           HB       VAL  52   2.711   0.461   5.885
  434   1HG1  VAL  52          1HG1      VAL  52   4.573   2.626   6.901
  435   2HG1  VAL  52          2HG1      VAL  52   5.141   1.144   6.096
  436   3HG1  VAL  52          3HG1      VAL  52   4.094   2.286   5.221
  437   1HG2  VAL  52          1HG2      VAL  52   2.505  -0.204   8.319
  438   2HG2  VAL  52          2HG2      VAL  52   4.042  -0.638   7.532
  439   3HG2  VAL  52          3HG2      VAL  52   3.968   0.764   8.627
  440    H    CYS  53           H        CYS  53   2.720   4.507   7.504
  441    HA   CYS  53           HA       CYS  53   1.794   5.371   4.861
  442   1HB   CYS  53          1HB       CYS  53   2.110   7.161   7.267
  443   2HB   CYS  53          2HB       CYS  53   1.313   7.518   5.748
  444    H    CYS  54           H        CYS  54   3.269   6.618   3.604
  445    HA   CYS  54           HA       CYS  54   5.881   7.077   4.827
  446   1HB   CYS  54          1HB       CYS  54   6.784   6.431   2.462
  447   2HB   CYS  54          2HB       CYS  54   6.504   5.212   3.689
  448    H    ASN  55           H        ASN  55   6.920   8.990   4.030
  449    HA   ASN  55           HA       ASN  55   5.104  10.681   2.537
  450   1HB   ASN  55          1HB       ASN  55   6.577  12.545   3.338
  451   2HB   ASN  55          2HB       ASN  55   5.970  11.588   4.674
  452   1HD2  ASN  55          2HD2      ASN  55   8.266  13.243   4.690
  453   2HD2  ASN  55          1HD2      ASN  55   9.664  12.267   4.998
  454    H    THR  56           H        THR  56   6.278   8.733   0.928
  455    HA   THR  56           HA       THR  56   8.223  10.306  -0.603
  456    HB   THR  56           HB       THR  56   9.222   7.831  -0.992
  457    HG1  THR  56           HG1      THR  56   8.892   6.660   1.036
  458   1HG2  THR  56          1HG2      THR  56  10.465   9.770   0.098
  459   2HG2  THR  56          2HG2      THR  56   9.705   9.317   1.643
  460   3HG2  THR  56          3HG2      THR  56  10.824   8.191   0.838
  461    H    ASP  57           H        ASP  57   8.155  10.022  -2.858
  462    HA   ASP  57           HA       ASP  57   5.603   9.479  -3.805
  463   1HB   ASP  57          1HB       ASP  57   8.289   9.705  -5.238
  464   2HB   ASP  57          2HB       ASP  57   6.758   9.611  -6.085
  465    H    LYS  58           H        LYS  58   4.811   7.641  -5.030
  466    HA   LYS  58           HA       LYS  58   4.568   5.424  -5.223
  467   1HB   LYS  58          1HB       LYS  58   6.197   4.450  -6.839
  468   2HB   LYS  58          2HB       LYS  58   5.524   5.988  -7.339
  469   1HG   LYS  58          1HG       LYS  58   7.552   7.177  -6.616
  470   2HG   LYS  58          2HG       LYS  58   8.212   5.712  -5.917
  471   1HD   LYS  58          1HD       LYS  58   8.275   4.650  -8.174
  472   2HD   LYS  58          2HD       LYS  58   7.583   6.095  -8.883
  473   1HE   LYS  58          1HE       LYS  58   9.561   7.423  -8.107
  474   2HE   LYS  58          2HE       LYS  58  10.253   5.978  -7.398
  475   1HZ   LYS  58          1HZ       LYS  58   9.637   6.336 -10.250
  476   2HZ   LYS  58          2HZ       LYS  58  11.126   6.387  -9.582
  477   3HZ   LYS  58          3HZ       LYS  58  10.282   4.989  -9.589
  478    H    CYS  59           H        CYS  59   5.135   5.718  -2.654
  479    HA   CYS  59           HA       CYS  59   7.451   4.042  -2.091
  480   1HB   CYS  59          1HB       CYS  59   7.226   4.764   0.208
  481   2HB   CYS  59          2HB       CYS  59   7.340   6.138  -0.874
  482    H    ASN  60           H        ASN  60   3.884   4.379  -1.626
  483    HA   ASN  60           HA       ASN  60   3.714   1.900  -0.262
  484   1HB   ASN  60          1HB       ASN  60   1.287   2.304  -0.309
  485   2HB   ASN  60          2HB       ASN  60   2.095   3.809   0.079
  486   1HD2  ASN  60          2HD2      ASN  60  -0.484   3.665  -0.928
  487   2HD2  ASN  60          1HD2      ASN  60  -0.550   4.375  -2.507
  488   1H    HOH  61          1H        HOH  61  -1.766  -9.255   2.963
  489   2H    HOH  61          2H        HOH  61  -0.906 -10.126   3.853
  490   1H    HOH  62          1H        HOH  62   6.404 -13.059   5.797
  491   2H    HOH  62          2H        HOH  62   6.441 -14.299   4.930
  Start of MODEL   17
    1    H    LEU   1           H        LEU   1   3.899  14.429  -6.522
    2    HA   LEU   1           HA       LEU   1   3.456  13.028  -3.981
    3   1HB   LEU   1          1HB       LEU   1   1.343  14.301  -3.775
    4   2HB   LEU   1          2HB       LEU   1   2.799  15.256  -3.577
    5    HG   LEU   1           HG       LEU   1   1.939  15.322  -6.341
    6   1HD1  LEU   1          1HD1      LEU   1  -0.282  14.842  -5.297
    7   2HD1  LEU   1          2HD1      LEU   1  -0.115  16.352  -4.370
    8   3HD1  LEU   1          3HD1      LEU   1  -0.187  16.403  -6.147
    9   1HD2  LEU   1          1HD2      LEU   1   3.467  16.919  -5.235
   10   2HD2  LEU   1          2HD2      LEU   1   2.083  17.715  -6.022
   11   3HD2  LEU   1          3HD2      LEU   1   2.106  17.513  -4.254
   12    H    LYS   2           H        LYS   2   3.880  11.322  -5.869
   13    HA   LYS   2           HA       LYS   2   1.206  10.635  -6.861
   14   1HB   LYS   2          1HB       LYS   2   3.780  10.218  -8.405
   15   2HB   LYS   2          2HB       LYS   2   2.155   9.840  -8.939
   16   1HG   LYS   2          1HG       LYS   2   1.593  12.332  -8.627
   17   2HG   LYS   2          2HG       LYS   2   3.305  12.610  -8.382
   18   1HD   LYS   2          1HD       LYS   2   3.667  11.389 -10.648
   19   2HD   LYS   2          2HD       LYS   2   1.938  11.542 -10.885
   20   1HE   LYS   2          1HE       LYS   2   3.795  13.902 -10.316
   21   2HE   LYS   2          2HE       LYS   2   3.292  13.419 -11.923
   22   1HZ   LYS   2          1HZ       LYS   2   0.989  13.717 -11.167
   23   2HZ   LYS   2          2HZ       LYS   2   1.534  14.306  -9.745
   24   3HZ   LYS   2          3HZ       LYS   2   1.852  15.102 -11.135
   25    H    CYS   3           H        CYS   3   0.558   8.553  -6.447
   26    HA   CYS   3           HA       CYS   3   2.616   6.683  -5.589
   27   1HB   CYS   3          1HB       CYS   3   0.385   7.727  -3.913
   28   2HB   CYS   3          2HB       CYS   3   0.747   6.016  -3.802
   29    H    LYS   4           H        LYS   4   1.330   4.412  -5.232
   30    HA   LYS   4           HA       LYS   4  -0.309   4.136  -7.635
   31   1HB   LYS   4          1HB       LYS   4   1.168   2.049  -6.003
   32   2HB   LYS   4          2HB       LYS   4   0.260   1.742  -7.469
   33   1HG   LYS   4          1HG       LYS   4   1.759   3.300  -8.728
   34   2HG   LYS   4          2HG       LYS   4   2.665   3.616  -7.262
   35   1HD   LYS   4          1HD       LYS   4   2.307   0.771  -8.266
   36   2HD   LYS   4          2HD       LYS   4   3.558   1.799  -8.937
   37   1HE   LYS   4          1HE       LYS   4   3.265   1.384  -5.932
   38   2HE   LYS   4          2HE       LYS   4   4.214   0.295  -6.925
   39   1HZ   LYS   4          1HZ       LYS   4   5.425   2.299  -7.697
   40   2HZ   LYS   4          2HZ       LYS   4   4.649   3.172  -6.555
   41   3HZ   LYS   4          3HZ       LYS   4   5.641   1.951  -6.116
   42    H    LYS   5           H        LYS   5  -2.240   2.733  -7.546
   43    HA   LYS   5           HA       LYS   5  -3.558   3.068  -4.954
   44   1HB   LYS   5          1HB       LYS   5  -4.749   2.664  -7.715
   45   2HB   LYS   5          2HB       LYS   5  -5.653   2.904  -6.233
   46   1HG   LYS   5          1HG       LYS   5  -4.030   5.073  -6.065
   47   2HG   LYS   5          2HG       LYS   5  -4.022   4.880  -7.807
   48   1HD   LYS   5          1HD       LYS   5  -6.601   4.940  -6.180
   49   2HD   LYS   5          2HD       LYS   5  -5.869   6.391  -6.835
   50   1HE   LYS   5          1HE       LYS   5  -7.176   5.922  -8.665
   51   2HE   LYS   5          2HE       LYS   5  -5.866   4.837  -9.086
   52   1HZ   LYS   5          1HZ       LYS   5  -8.203   4.045  -7.491
   53   2HZ   LYS   5          2HZ       LYS   5  -8.047   3.779  -9.095
   54   3HZ   LYS   5          3HZ       LYS   5  -7.028   3.056  -8.045
   55    H    LEU   6           H        LEU   6  -5.645   1.160  -5.397
   56    HA   LEU   6           HA       LEU   6  -4.552  -1.085  -4.288
   57   1HB   LEU   6          1HB       LEU   6  -7.077  -0.591  -5.840
   58   2HB   LEU   6          2HB       LEU   6  -6.693  -2.185  -5.224
   59    HG   LEU   6           HG       LEU   6  -6.385  -0.900  -2.936
   60   1HD1  LEU   6          1HD1      LEU   6  -8.016   1.008  -4.604
   61   2HD1  LEU   6          2HD1      LEU   6  -8.201   0.916  -2.835
   62   3HD1  LEU   6          3HD1      LEU   6  -6.625   1.341  -3.545
   63   1HD2  LEU   6          1HD2      LEU   6  -9.062  -1.600  -4.169
   64   2HD2  LEU   6          2HD2      LEU   6  -7.977  -2.678  -3.258
   65   3HD2  LEU   6          3HD2      LEU   6  -8.781  -1.320  -2.434
   66    H    VAL   7           H        VAL   7  -4.667  -0.077  -7.680
   67    HA   VAL   7           HA       VAL   7  -3.587  -2.694  -8.443
   68    HB   VAL   7           HB       VAL   7  -5.034  -0.510  -9.920
   69   1HG1  VAL   7          1HG1      VAL   7  -3.075  -1.106 -11.283
   70   2HG1  VAL   7          2HG1      VAL   7  -3.525  -2.825 -11.181
   71   3HG1  VAL   7          3HG1      VAL   7  -4.587  -1.676 -12.030
   72   1HG2  VAL   7          1HG2      VAL   7  -6.392  -2.225  -8.814
   73   2HG2  VAL   7          2HG2      VAL   7  -6.515  -2.358 -10.585
   74   3HG2  VAL   7          3HG2      VAL   7  -5.499  -3.501  -9.674
   75    HA   PRO   8           HA       PRO   8   0.266  -0.753  -8.861
   76   1HB   PRO   8          1HB       PRO   8   1.625  -2.756 -10.128
   77   2HB   PRO   8          2HB       PRO   8   1.377  -2.715  -8.394
   78   1HG   PRO   8          1HG       PRO   8   0.034  -4.398 -10.420
   79   2HG   PRO   8          2HG       PRO   8   0.118  -4.626  -8.684
   80   1HD   PRO   8          1HD       PRO   8  -2.124  -3.643 -10.179
   81   2HD   PRO   8          2HD       PRO   8  -1.998  -3.762  -8.435
   82    H    LEU   9           H        LEU   9  -1.406  -2.042 -11.606
   83    HA   LEU   9           HA       LEU   9   0.281  -0.639 -13.451
   84   1HB   LEU   9          1HB       LEU   9  -2.378  -2.011 -13.871
   85   2HB   LEU   9          2HB       LEU   9  -1.284  -1.463 -15.126
   86    HG   LEU   9           HG       LEU   9  -0.635  -3.605 -13.082
   87   1HD1  LEU   9          1HD1      LEU   9  -2.412  -4.340 -14.583
   88   2HD1  LEU   9          2HD1      LEU   9  -1.428  -3.885 -15.995
   89   3HD1  LEU   9          3HD1      LEU   9  -0.892  -5.202 -14.923
   90   1HD2  LEU   9          1HD2      LEU   9   0.889  -2.536 -15.465
   91   2HD2  LEU   9          2HD2      LEU   9   1.394  -2.580 -13.759
   92   3HD2  LEU   9          3HD2      LEU   9   1.253  -4.094 -14.685
   93    H    PHE  10           H        PHE  10  -1.823   0.448 -11.162
   94    HA   PHE  10           HA       PHE  10  -2.616   2.696 -12.872
   95   1HB   PHE  10          1HB       PHE  10  -4.087   0.949 -10.876
   96   2HB   PHE  10          2HB       PHE  10  -4.502   2.652 -10.871
   97    HD1  PHE  10           HD1      PHE  10  -4.310   3.283 -13.767
   98    HD2  PHE  10           HD2      PHE  10  -5.967  -0.083 -11.784
   99    HE1  PHE  10           HE1      PHE  10  -5.866   2.911 -15.700
  100    HE2  PHE  10           HE2      PHE  10  -7.524  -0.455 -13.718
  101    HZ   PHE  10           HZ       PHE  10  -7.454   1.046 -15.653
  102    H    SER  11           H        SER  11  -2.304   4.760 -12.016
  103    HA   SER  11           HA       SER  11  -1.428   4.859  -9.252
  104   1HB   SER  11          1HB       SER  11   0.313   6.629 -10.130
  105   2HB   SER  11          2HB       SER  11   0.696   4.921 -10.219
  106    HG   SER  11           HG       SER  11  -0.294   6.603 -12.357
  107    H    LYS  12           H        LYS  12  -1.756   6.984  -8.246
  108    HA   LYS  12           HA       LYS  12  -3.245   8.887  -9.883
  109   1HB   LYS  12          1HB       LYS  12  -4.844   7.320  -8.713
  110   2HB   LYS  12          2HB       LYS  12  -4.244   7.935  -7.186
  111   1HG   LYS  12          1HG       LYS  12  -5.076  10.132  -7.595
  112   2HG   LYS  12          2HG       LYS  12  -5.212   9.863  -9.321
  113   1HD   LYS  12          1HD       LYS  12  -7.058   8.226  -8.930
  114   2HD   LYS  12          2HD       LYS  12  -6.912   8.466  -7.200
  115   1HE   LYS  12          1HE       LYS  12  -7.517  10.735  -9.153
  116   2HE   LYS  12          2HE       LYS  12  -8.766   9.816  -8.336
  117   1HZ   LYS  12          1HZ       LYS  12  -7.609  10.455  -6.235
  118   2HZ   LYS  12          2HZ       LYS  12  -6.717  11.510  -7.105
  119   3HZ   LYS  12          3HZ       LYS  12  -8.339  11.680  -7.029
  120    H    THR  13           H        THR  13  -3.504  11.029  -8.634
  121    HA   THR  13           HA       THR  13  -1.015  11.461  -7.122
  122    HB   THR  13           HB       THR  13  -2.687  13.238  -8.968
  123    HG1  THR  13           HG1      THR  13  -0.936  12.768 -10.288
  124   1HG2  THR  13          1HG2      THR  13  -1.699  14.533  -6.993
  125   2HG2  THR  13          2HG2      THR  13  -0.099  13.931  -7.488
  126   3HG2  THR  13          3HG2      THR  13  -1.025  14.992  -8.576
  127    H    CYS  14           H        CYS  14  -1.046  12.277  -5.090
  128    HA   CYS  14           HA       CYS  14  -3.469  12.146  -3.692
  129   1HB   CYS  14          1HB       CYS  14  -0.753  13.240  -2.958
  130   2HB   CYS  14          2HB       CYS  14  -2.102  13.215  -1.840
  131    HA   PRO  15           HA       PRO  15  -4.710  16.223  -4.848
  132   1HB   PRO  15          1HB       PRO  15  -7.265  16.082  -3.890
  133   2HB   PRO  15          2HB       PRO  15  -6.809  15.527  -5.488
  134   1HG   PRO  15          1HG       PRO  15  -7.428  13.930  -3.079
  135   2HG   PRO  15          2HG       PRO  15  -7.391  13.419  -4.756
  136   1HD   PRO  15          1HD       PRO  15  -5.394  12.908  -2.761
  137   2HD   PRO  15          2HD       PRO  15  -5.305  12.499  -4.463
  138    H    ALA  16           H        ALA  16  -5.580  18.240  -3.824
  139    HA   ALA  16           HA       ALA  16  -4.074  18.882  -1.658
  140   1HB   ALA  16          1HB       ALA  16  -6.814  19.936  -2.468
  141   2HB   ALA  16          2HB       ALA  16  -5.687  20.760  -1.363
  142   3HB   ALA  16          3HB       ALA  16  -5.239  20.508  -3.067
  143    H    GLY  17           H        GLY  17  -4.134  18.557   0.534
  144   1HA   GLY  17          1HA       GLY  17  -5.511  18.353   2.515
  145   2HA   GLY  17          2HA       GLY  17  -6.573  17.283   1.621
  146    H    LYS  18           H        LYS  18  -4.619  15.687   0.234
  147    HA   LYS  18           HA       LYS  18  -3.521  14.237   2.533
  148   1HB   LYS  18          1HB       LYS  18  -4.207  13.213  -0.238
  149   2HB   LYS  18          2HB       LYS  18  -3.630  12.252   1.108
  150   1HG   LYS  18          1HG       LYS  18  -5.826  11.943   1.630
  151   2HG   LYS  18          2HG       LYS  18  -5.786  13.580   2.253
  152   1HD   LYS  18          1HD       LYS  18  -6.428  14.428  -0.042
  153   2HD   LYS  18          2HD       LYS  18  -6.556  12.768  -0.590
  154   1HE   LYS  18          1HE       LYS  18  -8.308  12.332   1.149
  155   2HE   LYS  18          2HE       LYS  18  -8.182  13.993   1.691
  156   1HZ   LYS  18          1HZ       LYS  18  -8.845  14.696  -0.513
  157   2HZ   LYS  18          2HZ       LYS  18  -8.972  13.145  -1.010
  158   3HZ   LYS  18          3HZ       LYS  18  -9.976  13.718   0.144
  159    H    ASN  19           H        ASN  19  -1.341  13.854   2.704
  160    HA   ASN  19           HA       ASN  19   0.258  14.550   0.385
  161   1HB   ASN  19          1HB       ASN  19   0.625  15.595   3.237
  162   2HB   ASN  19          2HB       ASN  19   1.911  15.653   2.048
  163   1HD2  ASN  19          2HD2      ASN  19  -1.276  16.786   2.928
  164   2HD2  ASN  19          1HD2      ASN  19  -1.348  18.164   1.881
  165    H    LEU  20           H        LEU  20  -0.716  12.094   2.085
  166    HA   LEU  20           HA       LEU  20   1.953  10.940   2.404
  167   1HB   LEU  20          1HB       LEU  20  -0.308  10.714   4.395
  168   2HB   LEU  20          2HB       LEU  20   1.166   9.766   4.434
  169    HG   LEU  20           HG       LEU  20   1.142  12.789   4.586
  170   1HD1  LEU  20          1HD1      LEU  20  -0.140  11.901   6.463
  171   2HD1  LEU  20          2HD1      LEU  20   1.198  10.801   6.873
  172   3HD1  LEU  20          3HD1      LEU  20   1.420  12.562   7.009
  173   1HD2  LEU  20          1HD2      LEU  20   3.266  10.702   5.131
  174   2HD2  LEU  20          2HD2      LEU  20   3.267  11.965   3.876
  175   3HD2  LEU  20          3HD2      LEU  20   3.406  12.416   5.593
  176    H    CYS  21           H        CYS  21   1.910   8.523   2.290
  177    HA   CYS  21           HA       CYS  21  -0.342   7.688   0.611
  178   1HB   CYS  21          1HB       CYS  21   2.544   6.788   0.522
  179   2HB   CYS  21          2HB       CYS  21   1.245   6.067  -0.405
  180    H    TYR  22           H        TYR  22  -1.633   6.168   1.591
  181    HA   TYR  22           HA       TYR  22  -0.520   4.755   3.899
  182   1HB   TYR  22          1HB       TYR  22  -2.786   4.782   4.621
  183   2HB   TYR  22          2HB       TYR  22  -2.785   6.215   3.613
  184    HD1  TYR  22           HD1      TYR  22  -3.405   2.523   3.383
  185    HD2  TYR  22           HD2      TYR  22  -4.395   6.427   1.940
  186    HE1  TYR  22           HE1      TYR  22  -5.268   1.534   1.964
  187    HE2  TYR  22           HE2      TYR  22  -6.255   5.425   0.526
  188    HH   TYR  22           HH       TYR  22  -6.827   1.915   0.525
  189    H    LYS  23           H        LYS  23  -0.633   2.478   4.101
  190    HA   LYS  23           HA       LYS  23  -1.609   1.024   1.773
  191   1HB   LYS  23          1HB       LYS  23   0.570  -0.371   1.942
  192   2HB   LYS  23          2HB       LYS  23   0.589   1.143   1.062
  193   1HG   LYS  23          1HG       LYS  23   1.591   2.321   2.952
  194   2HG   LYS  23          2HG       LYS  23   1.367   0.938   4.005
  195   1HD   LYS  23          1HD       LYS  23   3.013  -0.370   2.804
  196   2HD   LYS  23          2HD       LYS  23   3.056   0.771   1.474
  197   1HE   LYS  23          1HE       LYS  23   3.860   2.523   3.235
  198   2HE   LYS  23          2HE       LYS  23   4.137   1.155   4.294
  199   1HZ   LYS  23          1HZ       LYS  23   5.548   0.211   2.570
  200   2HZ   LYS  23          2HZ       LYS  23   5.325   1.529   1.633
  201   3HZ   LYS  23          3HZ       LYS  23   6.099   1.667   3.064
  202    H    MET  24           H        MET  24  -2.811  -0.699   2.395
  203    HA   MET  24           HA       MET  24  -2.586  -1.424   5.205
  204   1HB   MET  24          1HB       MET  24  -4.807  -0.579   4.203
  205   2HB   MET  24          2HB       MET  24  -4.842  -2.026   3.215
  206   1HG   MET  24          1HG       MET  24  -4.431  -2.421   6.169
  207   2HG   MET  24          2HG       MET  24  -6.022  -1.891   5.661
  208   1HE   MET  24          1HE       MET  24  -7.561  -3.789   5.975
  209   2HE   MET  24          2HE       MET  24  -7.686  -3.258   4.281
  210   3HE   MET  24          3HE       MET  24  -7.691  -4.995   4.672
  211    H    PHE  25           H        PHE  25  -1.748  -3.396   5.752
  212    HA   PHE  25           HA       PHE  25  -1.920  -5.523   3.756
  213   1HB   PHE  25          1HB       PHE  25   0.456  -5.939   3.981
  214   2HB   PHE  25          2HB       PHE  25   0.340  -4.197   3.831
  215    HD1  PHE  25           HD1      PHE  25   0.630  -2.760   5.824
  216    HD2  PHE  25           HD2      PHE  25   1.212  -6.959   6.014
  217    HE1  PHE  25           HE1      PHE  25   1.868  -2.490   7.991
  218    HE2  PHE  25           HE2      PHE  25   2.450  -6.690   8.180
  219    HZ   PHE  25           HZ       PHE  25   2.763  -4.459   9.143
  220    H    MET  26           H        MET  26  -1.470  -7.715   4.731
  221    HA   MET  26           HA       MET  26  -2.685  -7.767   7.339
  222   1HB   MET  26          1HB       MET  26  -2.200  -9.687   5.062
  223   2HB   MET  26          2HB       MET  26  -2.317 -10.399   6.659
  224   1HG   MET  26          1HG       MET  26  -4.575 -10.386   6.231
  225   2HG   MET  26          2HG       MET  26  -4.478  -8.716   6.752
  226   1HE   MET  26          1HE       MET  26  -6.835  -9.508   5.026
  227   2HE   MET  26          2HE       MET  26  -6.477  -7.811   5.427
  228   3HE   MET  26          3HE       MET  26  -6.843  -8.270   3.747
  229    H    VAL  27           H        VAL  27  -1.658  -8.343   9.242
  230    HA   VAL  27           HA       VAL  27   1.155  -8.317   9.283
  231    HB   VAL  27           HB       VAL  27  -0.873  -9.125  11.377
  232   1HG1  VAL  27          1HG1      VAL  27   2.093  -8.547  11.548
  233   2HG1  VAL  27          2HG1      VAL  27   1.012  -8.429  12.957
  234   3HG1  VAL  27          3HG1      VAL  27   1.206  -9.984  12.111
  235   1HG2  VAL  27          1HG2      VAL  27   0.423  -6.461  10.721
  236   2HG2  VAL  27          2HG2      VAL  27  -1.308  -6.875  10.666
  237   3HG2  VAL  27          3HG2      VAL  27  -0.461  -6.793  12.230
  238    H    ALA  28           H        ALA  28   1.494 -10.033   7.594
  239    HA   ALA  28           HA       ALA  28   2.202 -12.455   8.872
  240   1HB   ALA  28          1HB       ALA  28  -0.219 -12.445   7.032
  241   2HB   ALA  28          2HB       ALA  28   0.711 -13.910   7.427
  242   3HB   ALA  28          3HB       ALA  28  -0.133 -13.018   8.715
  243    H    ALA  29           H        ALA  29   1.424 -10.692   5.823
  244    HA   ALA  29           HA       ALA  29   3.919 -11.798   4.724
  245   1HB   ALA  29          1HB       ALA  29   1.311 -11.116   3.307
  246   2HB   ALA  29          2HB       ALA  29   2.817 -11.605   2.496
  247   3HB   ALA  29          3HB       ALA  29   1.977 -12.744   3.574
  248    HA   PRO  30           HA       PRO  30   4.313  -7.317   5.035
  249   1HB   PRO  30          1HB       PRO  30   6.802  -7.267   6.162
  250   2HB   PRO  30          2HB       PRO  30   5.324  -7.214   7.101
  251   1HG   PRO  30          1HG       PRO  30   7.196  -9.469   6.718
  252   2HG   PRO  30          2HG       PRO  30   5.976  -9.254   7.957
  253   1HD   PRO  30          1HD       PRO  30   5.801 -10.953   5.653
  254   2HD   PRO  30          2HD       PRO  30   4.538 -10.648   6.829
  255    H    HIS  31           H        HIS  31   4.311  -8.404   2.649
  256    HA   HIS  31           HA       HIS  31   6.635  -7.132   1.508
  257   1HB   HIS  31          1HB       HIS  31   7.488  -9.359   1.817
  258   2HB   HIS  31          2HB       HIS  31   6.040 -10.076   1.138
  259    HD1  HIS  31           HD1      HIS  31   8.525  -7.436  -0.155
  260    HD2  HIS  31           HD2      HIS  31   6.588 -10.951  -1.375
  261    HE1  HIS  31           HE1      HIS  31   9.293  -7.881  -2.547
  262    H    VAL  32           H        VAL  32   3.620  -9.065   0.987
  263    HA   VAL  32           HA       VAL  32   3.152  -7.505  -1.443
  264    HB   VAL  32           HB       VAL  32   1.805  -9.993  -0.370
  265   1HG1  VAL  32          1HG1      VAL  32   1.514  -8.544  -3.023
  266   2HG1  VAL  32          2HG1      VAL  32   0.844 -10.153  -2.662
  267   3HG1  VAL  32          3HG1      VAL  32   0.274  -8.729  -1.759
  268   1HG2  VAL  32          1HG2      VAL  32   3.917  -9.628  -2.520
  269   2HG2  VAL  32          2HG2      VAL  32   4.084 -10.504  -0.979
  270   3HG2  VAL  32          3HG2      VAL  32   3.003 -11.131  -2.247
  271    HA   PRO  33           HA       PRO  33   0.380  -5.170   1.003
  272   1HB   PRO  33          1HB       PRO  33  -0.204  -3.269  -0.872
  273   2HB   PRO  33          2HB       PRO  33   1.188  -3.174   0.188
  274   1HG   PRO  33          1HG       PRO  33   1.090  -3.871  -2.683
  275   2HG   PRO  33          2HG       PRO  33   2.464  -3.360  -1.724
  276   1HD   PRO  33          1HD       PRO  33   1.869  -6.031  -2.582
  277   2HD   PRO  33          2HD       PRO  33   3.178  -5.537  -1.528
  278    H    VAL  34           H        VAL  34  -1.914  -4.145   0.700
  279    HA   VAL  34           HA       VAL  34  -3.404  -6.120  -0.888
  280    HB   VAL  34           HB       VAL  34  -4.246  -4.882   1.738
  281   1HG1  VAL  34          1HG1      VAL  34  -6.087  -5.561   0.231
  282   2HG1  VAL  34          2HG1      VAL  34  -5.412  -7.207   0.168
  283   3HG1  VAL  34          3HG1      VAL  34  -6.021  -6.553   1.707
  284   1HG2  VAL  34          1HG2      VAL  34  -2.236  -6.444   1.869
  285   2HG2  VAL  34          2HG2      VAL  34  -3.648  -6.883   2.860
  286   3HG2  VAL  34          3HG2      VAL  34  -3.332  -7.739   1.332
  287    H    LYS  35           H        LYS  35  -3.740  -2.909   0.794
  288    HA   LYS  35           HA       LYS  35  -5.066  -1.969  -1.653
  289   1HB   LYS  35          1HB       LYS  35  -5.751  -1.219   1.205
  290   2HB   LYS  35          2HB       LYS  35  -6.492  -0.555  -0.237
  291   1HG   LYS  35          1HG       LYS  35  -7.824  -2.387  -0.539
  292   2HG   LYS  35          2HG       LYS  35  -6.508  -3.506  -0.244
  293   1HD   LYS  35          1HD       LYS  35  -6.859  -3.527   2.092
  294   2HD   LYS  35          2HD       LYS  35  -7.660  -1.968   2.092
  295   1HE   LYS  35          1HE       LYS  35  -9.376  -3.637   2.445
  296   2HE   LYS  35          2HE       LYS  35  -9.590  -3.028   0.816
  297   1HZ   LYS  35          1HZ       LYS  35  -8.147  -5.492   1.513
  298   2HZ   LYS  35          2HZ       LYS  35  -9.658  -5.422   0.898
  299   3HZ   LYS  35          3HZ       LYS  35  -8.386  -4.930  -0.001
  300    H    ARG  36           H        ARG  36  -4.773   0.358  -2.101
  301    HA   ARG  36           HA       ARG  36  -2.665   1.606  -0.618
  302   1HB   ARG  36          1HB       ARG  36  -2.406   0.907  -3.582
  303   2HB   ARG  36          2HB       ARG  36  -1.398   2.109  -2.802
  304   1HG   ARG  36          1HG       ARG  36  -0.522   0.426  -1.227
  305   2HG   ARG  36          2HG       ARG  36  -1.623  -0.785  -1.852
  306   1HD   ARG  36          1HD       ARG  36   0.299   0.603  -3.745
  307   2HD   ARG  36          2HD       ARG  36   0.879  -0.702  -2.729
  308    HE   ARG  36           HE       ARG  36  -1.563  -1.513  -4.018
  309   1HH1  ARG  36          1HH1      ARG  36   1.835  -0.920  -4.714
  310   2HH1  ARG  36          2HH1      ARG  36   1.886  -2.024  -6.048
  311   1HH2  ARG  36          1HH2      ARG  36  -1.496  -2.969  -5.778
  312   2HH2  ARG  36          2HH2      ARG  36  -0.022  -3.197  -6.657
  313    H    GLY  37           H        GLY  37  -3.083   3.811  -0.492
  314   1HA   GLY  37          1HA       GLY  37  -4.381   5.197  -2.670
  315   2HA   GLY  37          2HA       GLY  37  -5.392   4.986  -1.254
  316    H    CYS  38           H        CYS  38  -5.181   7.492  -1.443
  317    HA   CYS  38           HA       CYS  38  -2.684   8.397  -0.245
  318   1HB   CYS  38          1HB       CYS  38  -4.912   9.823  -1.687
  319   2HB   CYS  38          2HB       CYS  38  -3.727  10.692  -0.734
  320    H    ILE  39           H        ILE  39  -3.007  10.165   1.521
  321    HA   ILE  39           HA       ILE  39  -5.471  10.146   2.938
  322    HB   ILE  39           HB       ILE  39  -4.353   7.892   3.454
  323   1HG1  ILE  39          1HG1      ILE  39  -4.913   9.404   5.973
  324   2HG1  ILE  39          2HG1      ILE  39  -6.174   9.338   4.758
  325   1HG2  ILE  39          1HG2      ILE  39  -2.076   8.775   3.774
  326   2HG2  ILE  39          2HG2      ILE  39  -2.636   9.673   5.205
  327   3HG2  ILE  39          3HG2      ILE  39  -2.670   7.894   5.203
  328   1HD1  ILE  39          1HD1      ILE  39  -4.722   6.881   5.841
  329   2HD1  ILE  39          2HD1      ILE  39  -6.303   7.456   6.422
  330   3HD1  ILE  39          3HD1      ILE  39  -6.124   6.887   4.745
  331    H    ASP  40           H        ASP  40  -5.314  11.556   4.916
  332    HA   ASP  40           HA       ASP  40  -3.236  13.523   4.414
  333   1HB   ASP  40          1HB       ASP  40  -5.486  14.430   4.259
  334   2HB   ASP  40          2HB       ASP  40  -5.965  13.667   5.763
  335    H    VAL  41           H        VAL  41  -5.074  11.771   7.015
  336    HA   VAL  41           HA       VAL  41  -2.783  12.240   8.798
  337    HB   VAL  41           HB       VAL  41  -4.921  13.452   9.350
  338   1HG1  VAL  41          1HG1      VAL  41  -6.428  11.566   8.637
  339   2HG1  VAL  41          2HG1      VAL  41  -5.940  10.699  10.112
  340   3HG1  VAL  41          3HG1      VAL  41  -6.799  12.253  10.237
  341   1HG2  VAL  41          1HG2      VAL  41  -3.877  11.432  11.364
  342   2HG2  VAL  41          2HG2      VAL  41  -3.200  13.045  11.033
  343   3HG2  VAL  41          3HG2      VAL  41  -4.820  12.891  11.753
  344    H    CYS  42           H        CYS  42  -1.747  10.439   9.514
  345    HA   CYS  42           HA       CYS  42  -2.515   7.940   8.484
  346   1HB   CYS  42          1HB       CYS  42  -0.178   8.864   9.171
  347   2HB   CYS  42          2HB       CYS  42  -0.593   8.277  10.769
  348    HA   PRO  43           HA       PRO  43  -5.344   7.085  11.746
  349   1HB   PRO  43          1HB       PRO  43  -6.302   4.717  10.775
  350   2HB   PRO  43          2HB       PRO  43  -6.933   6.278  10.288
  351   1HG   PRO  43          1HG       PRO  43  -5.169   4.443   8.786
  352   2HG   PRO  43          2HG       PRO  43  -6.139   5.771   8.183
  353   1HD   PRO  43          1HD       PRO  43  -3.301   5.770   8.599
  354   2HD   PRO  43          2HD       PRO  43  -4.288   7.132   8.106
  355    H    LYS  44           H        LYS  44  -5.978   5.000  13.118
  356    HA   LYS  44           HA       LYS  44  -3.442   4.269  14.261
  357   1HB   LYS  44          1HB       LYS  44  -5.631   4.917  15.487
  358   2HB   LYS  44          2HB       LYS  44  -6.147   3.277  15.151
  359   1HG   LYS  44          1HG       LYS  44  -3.440   3.150  16.137
  360   2HG   LYS  44          2HG       LYS  44  -4.344   4.201  17.209
  361   1HD   LYS  44          1HD       LYS  44  -6.061   2.468  17.550
  362   2HD   LYS  44          2HD       LYS  44  -5.309   1.433  16.352
  363   1HE   LYS  44          1HE       LYS  44  -3.236   1.319  17.769
  364   2HE   LYS  44          2HE       LYS  44  -4.014   2.326  18.973
  365   1HZ   LYS  44          1HZ       LYS  44  -5.713   0.638  19.197
  366   2HZ   LYS  44          2HZ       LYS  44  -4.981  -0.301  18.079
  367   3HZ   LYS  44          3HZ       LYS  44  -4.236   0.009  19.499
  368    H    SER  45           H        SER  45  -2.655   2.101  14.515
  369    HA   SER  45           HA       SER  45  -3.528   0.441  12.309
  370   1HB   SER  45          1HB       SER  45  -1.000   0.680  13.934
  371   2HB   SER  45          2HB       SER  45  -1.345  -0.857  13.166
  372    HG   SER  45           HG       SER  45  -0.089   0.488  11.763
  373    H    SER  46           H        SER  46  -3.820  -1.927  12.663
  374    HA   SER  46           HA       SER  46  -4.673  -2.434  15.407
  375   1HB   SER  46          1HB       SER  46  -6.428  -3.868  14.540
  376   2HB   SER  46          2HB       SER  46  -6.533  -2.323  13.720
  377    HG   SER  46           HG       SER  46  -5.381  -3.267  11.904
  378    H    LEU  47           H        LEU  47  -4.940  -5.125  15.522
  379    HA   LEU  47           HA       LEU  47  -2.219  -6.017  15.141
  380   1HB   LEU  47          1HB       LEU  47  -4.578  -7.382  16.444
  381   2HB   LEU  47          2HB       LEU  47  -2.911  -7.922  16.494
  382    HG   LEU  47           HG       LEU  47  -3.942  -5.328  17.678
  383   1HD1  LEU  47          1HD1      LEU  47  -4.813  -7.269  18.874
  384   2HD1  LEU  47          2HD1      LEU  47  -3.165  -7.919  19.046
  385   3HD1  LEU  47          3HD1      LEU  47  -3.612  -6.397  19.855
  386   1HD2  LEU  47          1HD2      LEU  47  -1.200  -6.603  17.670
  387   2HD2  LEU  47          2HD2      LEU  47  -1.675  -4.993  17.077
  388   3HD2  LEU  47          3HD2      LEU  47  -1.689  -5.338  18.823
  389    H    LEU  48           H        LEU  48  -5.303  -6.183  13.534
  390    HA   LEU  48           HA       LEU  48  -4.578  -8.613  12.123
  391   1HB   LEU  48          1HB       LEU  48  -6.928  -7.832  13.021
  392   2HB   LEU  48          2HB       LEU  48  -6.988  -6.956  11.505
  393    HG   LEU  48           HG       LEU  48  -6.696  -9.950  11.861
  394   1HD1  LEU  48          1HD1      LEU  48  -8.953  -9.094  12.266
  395   2HD1  LEU  48          2HD1      LEU  48  -8.940  -8.290  10.678
  396   3HD1  LEU  48          3HD1      LEU  48  -8.881 -10.066  10.777
  397   1HD2  LEU  48          1HD2      LEU  48  -6.570  -8.265   9.352
  398   2HD2  LEU  48          2HD2      LEU  48  -5.352  -9.401   9.980
  399   3HD2  LEU  48          3HD2      LEU  48  -6.899 -10.014   9.350
  400    H    VAL  49           H        VAL  49  -5.650  -5.270  11.164
  401    HA   VAL  49           HA       VAL  49  -3.891  -5.563   8.832
  402    HB   VAL  49           HB       VAL  49  -5.327  -4.014   7.712
  403   1HG1  VAL  49          1HG1      VAL  49  -6.007  -6.404   7.776
  404   2HG1  VAL  49          2HG1      VAL  49  -7.058  -6.042   9.166
  405   3HG1  VAL  49          3HG1      VAL  49  -7.385  -5.295   7.584
  406   1HG2  VAL  49          1HG2      VAL  49  -5.850  -2.517   9.571
  407   2HG2  VAL  49          2HG2      VAL  49  -7.344  -3.061   8.769
  408   3HG2  VAL  49          3HG2      VAL  49  -6.858  -3.776  10.325
  409    H    LYS  50           H        LYS  50  -2.218  -4.132   8.523
  410    HA   LYS  50           HA       LYS  50  -1.981  -2.037  10.569
  411   1HB   LYS  50          1HB       LYS  50  -0.026  -3.972   9.413
  412   2HB   LYS  50          2HB       LYS  50   0.559  -2.359   9.766
  413   1HG   LYS  50          1HG       LYS  50  -0.539  -2.624  12.098
  414   2HG   LYS  50          2HG       LYS  50  -0.742  -4.319  11.703
  415   1HD   LYS  50          1HD       LYS  50   1.644  -4.665  11.509
  416   2HD   LYS  50          2HD       LYS  50   1.968  -2.943  11.498
  417   1HE   LYS  50          1HE       LYS  50   2.508  -3.729  13.717
  418   2HE   LYS  50          2HE       LYS  50   1.017  -2.820  13.862
  419   1HZ   LYS  50          1HZ       LYS  50   1.154  -5.743  13.585
  420   2HZ   LYS  50          2HZ       LYS  50   0.941  -4.949  14.996
  421   3HZ   LYS  50          3HZ       LYS  50  -0.200  -4.863  13.830
  422    H    TYR  51           H        TYR  51  -1.933   0.050   9.894
  423    HA   TYR  51           HA       TYR  51  -1.778   0.456   6.989
  424   1HB   TYR  51          1HB       TYR  51  -3.154   1.702   9.401
  425   2HB   TYR  51          2HB       TYR  51  -2.768   2.774   8.069
  426    HD1  TYR  51           HD1      TYR  51  -3.881   2.525   5.886
  427    HD2  TYR  51           HD2      TYR  51  -4.880  -0.006   9.188
  428    HE1  TYR  51           HE1      TYR  51  -6.005   1.796   4.694
  429    HE2  TYR  51           HE2      TYR  51  -7.001  -0.725   7.985
  430    HH   TYR  51           HH       TYR  51  -8.207  -0.551   6.209
  431    H    VAL  52           H        VAL  52   0.433   0.721   6.616
  432    HA   VAL  52           HA       VAL  52   1.863   2.571   8.346
  433    HB   VAL  52           HB       VAL  52   2.719   0.729   6.108
  434   1HG1  VAL  52          1HG1      VAL  52   4.390   2.565   7.856
  435   2HG1  VAL  52          2HG1      VAL  52   5.045   1.281   6.812
  436   3HG1  VAL  52          3HG1      VAL  52   4.180   2.659   6.091
  437   1HG2  VAL  52          1HG2      VAL  52   2.013  -0.313   8.286
  438   2HG2  VAL  52          2HG2      VAL  52   3.701  -0.634   7.822
  439   3HG2  VAL  52          3HG2      VAL  52   3.337   0.578   9.074
  440    H    CYS  53           H        CYS  53   2.557   4.602   7.714
  441    HA   CYS  53           HA       CYS  53   1.658   5.411   5.044
  442   1HB   CYS  53          1HB       CYS  53   1.961   7.213   7.449
  443   2HB   CYS  53          2HB       CYS  53   1.273   7.621   5.890
  444    H    CYS  54           H        CYS  54   3.095   6.953   3.916
  445    HA   CYS  54           HA       CYS  54   5.722   7.283   5.095
  446   1HB   CYS  54          1HB       CYS  54   6.701   6.572   2.811
  447   2HB   CYS  54          2HB       CYS  54   6.303   5.354   4.007
  448    H    ASN  55           H        ASN  55   6.809   9.148   4.208
  449    HA   ASN  55           HA       ASN  55   5.017  10.780   2.603
  450   1HB   ASN  55          1HB       ASN  55   6.432  12.702   3.453
  451   2HB   ASN  55          2HB       ASN  55   5.640  11.815   4.740
  452   1HD2  ASN  55          2HD2      ASN  55   7.735  13.339   5.372
  453   2HD2  ASN  55          1HD2      ASN  55   9.136  12.401   5.768
  454    H    THR  56           H        THR  56   6.316   8.881   1.091
  455    HA   THR  56           HA       THR  56   8.393  10.449  -0.263
  456    HB   THR  56           HB       THR  56   9.395   7.966  -0.591
  457    HG1  THR  56           HG1      THR  56   8.132   8.022   2.052
  458   1HG2  THR  56          1HG2      THR  56   9.657   9.574   2.005
  459   2HG2  THR  56          2HG2      THR  56  10.753   8.262   1.508
  460   3HG2  THR  56          3HG2      THR  56  10.672   9.764   0.555
  461    H    ASP  57           H        ASP  57   8.557  10.109  -2.526
  462    HA   ASP  57           HA       ASP  57   6.083   9.673  -3.703
  463   1HB   ASP  57          1HB       ASP  57   8.898   9.725  -4.887
  464   2HB   ASP  57          2HB       ASP  57   7.443   9.712  -5.865
  465    H    LYS  58           H        LYS  58   5.293   7.845  -4.923
  466    HA   LYS  58           HA       LYS  58   4.959   5.639  -5.098
  467   1HB   LYS  58          1HB       LYS  58   7.675   6.038  -6.375
  468   2HB   LYS  58          2HB       LYS  58   6.760   4.552  -6.521
  469   1HG   LYS  58          1HG       LYS  58   4.836   5.829  -7.487
  470   2HG   LYS  58          2HG       LYS  58   5.748   7.317  -7.337
  471   1HD   LYS  58          1HD       LYS  58   7.428   6.539  -8.929
  472   2HD   LYS  58          2HD       LYS  58   6.751   4.923  -8.940
  473   1HE   LYS  58          1HE       LYS  58   6.009   6.102 -10.954
  474   2HE   LYS  58          2HE       LYS  58   4.622   5.832  -9.916
  475   1HZ   LYS  58          1HZ       LYS  58   6.164   8.327  -9.860
  476   2HZ   LYS  58          2HZ       LYS  58   4.864   8.112 -10.826
  477   3HZ   LYS  58          3HZ       LYS  58   4.695   8.049  -9.203
  478    H    CYS  59           H        CYS  59   5.316   5.916  -2.510
  479    HA   CYS  59           HA       CYS  59   7.525   4.178  -1.741
  480   1HB   CYS  59          1HB       CYS  59   7.192   4.950   0.503
  481   2HB   CYS  59          2HB       CYS  59   7.329   6.324  -0.576
  482    H    ASN  60           H        ASN  60   3.943   4.649  -1.518
  483    HA   ASN  60           HA       ASN  60   3.629   2.119  -0.244
  484   1HB   ASN  60          1HB       ASN  60   1.209   2.649  -0.338
  485   2HB   ASN  60          2HB       ASN  60   2.099   4.046   0.234
  486   1HD2  ASN  60          2HD2      ASN  60  -0.471   4.080  -0.922
  487   2HD2  ASN  60          1HD2      ASN  60  -0.425   4.993  -2.393
  488   1H    HOH  61          1H        HOH  61   0.541  -7.570   2.773
  489   2H    HOH  61          2H        HOH  61  -0.485  -8.669   2.604
  490   1H    HOH  62          1H        HOH  62   5.262 -11.105   8.863
  491   2H    HOH  62          2H        HOH  62   5.635 -10.552  10.221
  Start of MODEL   18
    1    H    LEU   1           H        LEU   1   0.663  14.792  -4.593
    2    HA   LEU   1           HA       LEU   1   3.048  13.934  -4.450
    3   1HB   LEU   1          1HB       LEU   1   1.739  12.839  -2.040
    4   2HB   LEU   1          2HB       LEU   1   2.719  11.703  -2.945
    5    HG   LEU   1           HG       LEU   1   3.938  12.813  -1.101
    6   1HD1  LEU   1          1HD1      LEU   1   5.075  11.925  -3.147
    7   2HD1  LEU   1          2HD1      LEU   1   5.078  13.582  -3.798
    8   3HD1  LEU   1          3HD1      LEU   1   5.966  13.213  -2.300
    9   1HD2  LEU   1          1HD2      LEU   1   2.801  14.991  -1.196
   10   2HD2  LEU   1          2HD2      LEU   1   4.573  15.156  -1.245
   11   3HD2  LEU   1          3HD2      LEU   1   3.620  15.345  -2.736
   12    H    LYS   2           H        LYS   2   3.439  11.550  -5.260
   13    HA   LYS   2           HA       LYS   2   1.031  10.706  -6.712
   14   1HB   LYS   2          1HB       LYS   2   2.700  12.026  -8.101
   15   2HB   LYS   2          2HB       LYS   2   3.827  10.705  -7.871
   16   1HG   LYS   2          1HG       LYS   2   2.858   9.671  -9.642
   17   2HG   LYS   2          2HG       LYS   2   1.439   9.422  -8.644
   18   1HD   LYS   2          1HD       LYS   2   0.624  11.732  -9.348
   19   2HD   LYS   2          2HD       LYS   2   1.977  11.819 -10.458
   20   1HE   LYS   2          1HE       LYS   2   1.144   9.620 -11.490
   21   2HE   LYS   2          2HE       LYS   2  -0.294   9.780 -10.501
   22   1HZ   LYS   2          1HZ       LYS   2  -0.644  11.953 -11.531
   23   2HZ   LYS   2          2HZ       LYS   2   0.643  11.710 -12.508
   24   3HZ   LYS   2          3HZ       LYS   2  -0.667  10.741 -12.626
   25    H    CYS   3           H        CYS   3   0.465   8.643  -6.283
   26    HA   CYS   3           HA       CYS   3   2.620   6.819  -5.532
   27   1HB   CYS   3          1HB       CYS   3   0.210   7.545  -3.951
   28   2HB   CYS   3          2HB       CYS   3   0.642   5.848  -3.998
   29    H    LYS   4           H        LYS   4   1.260   4.458  -5.355
   30    HA   LYS   4           HA       LYS   4  -0.078   4.305  -7.961
   31   1HB   LYS   4          1HB       LYS   4   1.687   2.395  -6.438
   32   2HB   LYS   4          2HB       LYS   4   0.579   1.803  -7.659
   33   1HG   LYS   4          1HG       LYS   4   2.393   4.139  -8.317
   34   2HG   LYS   4          2HG       LYS   4   3.051   2.515  -8.328
   35   1HD   LYS   4          1HD       LYS   4   1.198   1.822  -9.911
   36   2HD   LYS   4          2HD       LYS   4   0.657   3.489  -9.957
   37   1HE   LYS   4          1HE       LYS   4   2.899   4.191 -10.830
   38   2HE   LYS   4          2HE       LYS   4   3.437   2.523 -10.787
   39   1HZ   LYS   4          1HZ       LYS   4   1.162   3.510 -12.365
   40   2HZ   LYS   4          2HZ       LYS   4   2.645   3.167 -12.959
   41   3HZ   LYS   4          3HZ       LYS   4   1.713   1.972 -12.349
   42    H    LYS   5           H        LYS   5  -1.776   2.500  -8.092
   43    HA   LYS   5           HA       LYS   5  -3.498   2.825  -5.770
   44   1HB   LYS   5          1HB       LYS   5  -4.039   1.831  -8.582
   45   2HB   LYS   5          2HB       LYS   5  -5.244   1.916  -7.313
   46   1HG   LYS   5          1HG       LYS   5  -4.152   4.462  -7.199
   47   2HG   LYS   5          2HG       LYS   5  -4.019   4.108  -8.910
   48   1HD   LYS   5          1HD       LYS   5  -6.603   3.724  -7.331
   49   2HD   LYS   5          2HD       LYS   5  -6.213   5.210  -8.173
   50   1HE   LYS   5          1HE       LYS   5  -6.055   3.977 -10.327
   51   2HE   LYS   5          2HE       LYS   5  -6.364   2.462  -9.504
   52   1HZ   LYS   5          1HZ       LYS   5  -8.216   4.743  -9.588
   53   2HZ   LYS   5          2HZ       LYS   5  -8.355   3.373 -10.467
   54   3HZ   LYS   5          3HZ       LYS   5  -8.504   3.319  -8.842
   55    H    LEU   6           H        LEU   6  -5.081   0.480  -6.089
   56    HA   LEU   6           HA       LEU   6  -3.705  -1.287  -4.482
   57   1HB   LEU   6          1HB       LEU   6  -6.107  -1.644  -6.271
   58   2HB   LEU   6          2HB       LEU   6  -5.528  -2.896  -5.190
   59    HG   LEU   6           HG       LEU   6  -5.750  -1.049  -3.343
   60   1HD1  LEU   6          1HD1      LEU   6  -7.264   0.122  -5.649
   61   2HD1  LEU   6          2HD1      LEU   6  -7.870   0.352  -3.991
   62   3HD1  LEU   6          3HD1      LEU   6  -6.239   0.917  -4.429
   63   1HD2  LEU   6          1HD2      LEU   6  -8.119  -2.467  -4.591
   64   2HD2  LEU   6          2HD2      LEU   6  -7.033  -3.087  -3.324
   65   3HD2  LEU   6          3HD2      LEU   6  -8.114  -1.716  -2.977
   66    H    VAL   7           H        VAL   7  -4.093  -1.211  -8.066
   67    HA   VAL   7           HA       VAL   7  -2.268  -3.490  -8.225
   68    HB   VAL   7           HB       VAL   7  -4.056  -2.163 -10.271
   69   1HG1  VAL   7          1HG1      VAL   7  -1.926  -3.143 -11.201
   70   2HG1  VAL   7          2HG1      VAL   7  -2.467  -4.726 -10.593
   71   3HG1  VAL   7          3HG1      VAL   7  -3.426  -3.871 -11.826
   72   1HG2  VAL   7          1HG2      VAL   7  -4.276  -4.806  -8.794
   73   2HG2  VAL   7          2HG2      VAL   7  -5.345  -3.392  -8.632
   74   3HG2  VAL   7          3HG2      VAL   7  -5.311  -4.313 -10.155
   75    HA   PRO   8           HA       PRO   8   0.910  -0.747  -9.310
   76   1HB   PRO   8          1HB       PRO   8   2.790  -2.563 -10.109
   77   2HB   PRO   8          2HB       PRO   8   2.509  -2.151  -8.429
   78   1HG   PRO   8          1HG       PRO   8   1.717  -4.592  -9.897
   79   2HG   PRO   8          2HG       PRO   8   1.829  -4.339  -8.166
   80   1HD   PRO   8          1HD       PRO   8  -0.569  -4.414  -9.738
   81   2HD   PRO   8          2HD       PRO   8  -0.447  -4.046  -8.029
   82    H    LEU   9           H        LEU   9  -0.904  -0.272 -11.046
   83    HA   LEU   9           HA       LEU   9   0.604  -0.364 -13.531
   84   1HB   LEU   9          1HB       LEU   9  -2.110  -1.573 -13.103
   85   2HB   LEU   9          2HB       LEU   9  -1.658  -0.922 -14.666
   86    HG   LEU   9           HG       LEU   9   0.191  -2.882 -13.361
   87   1HD1  LEU   9          1HD1      LEU   9  -2.589  -3.460 -14.161
   88   2HD1  LEU   9          2HD1      LEU   9  -1.361  -4.548 -14.850
   89   3HD1  LEU   9          3HD1      LEU   9  -1.486  -4.351 -13.086
   90   1HD2  LEU   9          1HD2      LEU   9   0.819  -1.761 -15.459
   91   2HD2  LEU   9          2HD2      LEU   9   0.656  -3.523 -15.658
   92   3HD2  LEU   9          3HD2      LEU   9  -0.627  -2.437 -16.245
   93    H    PHE  10           H        PHE  10  -2.324   0.764 -11.733
   94    HA   PHE  10           HA       PHE  10  -2.254   3.201 -13.337
   95   1HB   PHE  10          1HB       PHE  10  -4.203   1.845 -11.393
   96   2HB   PHE  10          2HB       PHE  10  -4.477   3.489 -11.935
   97    HD1  PHE  10           HD1      PHE  10  -5.107   3.950 -14.245
   98    HD2  PHE  10           HD2      PHE  10  -4.486  -0.030 -12.910
   99    HE1  PHE  10           HE1      PHE  10  -6.266   3.082 -16.295
  100    HE2  PHE  10           HE2      PHE  10  -5.645  -0.898 -14.960
  101    HZ   PHE  10           HZ       PHE  10  -6.521   0.668 -16.628
  102    H    SER  11           H        SER  11  -2.038   5.277 -12.401
  103    HA   SER  11           HA       SER  11  -1.121   5.184  -9.633
  104   1HB   SER  11          1HB       SER  11   0.115   7.377 -10.377
  105   2HB   SER  11          2HB       SER  11   0.790   5.823 -10.823
  106    HG   SER  11           HG       SER  11   0.100   6.067 -12.931
  107    H    LYS  12           H        LYS  12  -1.687   7.051  -8.268
  108    HA   LYS  12           HA       LYS  12  -3.842   8.694  -9.384
  109   1HB   LYS  12          1HB       LYS  12  -4.919   6.909  -8.150
  110   2HB   LYS  12          2HB       LYS  12  -3.890   7.180  -6.759
  111   1HG   LYS  12          1HG       LYS  12  -4.862   9.370  -6.352
  112   2HG   LYS  12          2HG       LYS  12  -5.694   9.360  -7.895
  113   1HD   LYS  12          1HD       LYS  12  -6.270   7.117  -5.957
  114   2HD   LYS  12          2HD       LYS  12  -6.953   8.695  -5.617
  115   1HE   LYS  12          1HE       LYS  12  -8.109   8.747  -7.767
  116   2HE   LYS  12          2HE       LYS  12  -7.262   7.317  -8.323
  117   1HZ   LYS  12          1HZ       LYS  12  -9.115   7.392  -6.042
  118   2HZ   LYS  12          2HZ       LYS  12  -9.466   6.809  -7.527
  119   3HZ   LYS  12          3HZ       LYS  12  -8.349   6.061  -6.599
  120    H    THR  13           H        THR  13  -4.008  10.818  -8.480
  121    HA   THR  13           HA       THR  13  -1.536  11.620  -7.104
  122    HB   THR  13           HB       THR  13  -3.517  13.286  -8.741
  123    HG1  THR  13           HG1      THR  13  -2.470  11.677 -10.058
  124   1HG2  THR  13          1HG2      THR  13  -0.586  13.739  -7.969
  125   2HG2  THR  13          2HG2      THR  13  -1.593  14.833  -8.949
  126   3HG2  THR  13          3HG2      THR  13  -1.966  14.584  -7.226
  127    H    CYS  14           H        CYS  14  -1.600  12.192  -5.028
  128    HA   CYS  14           HA       CYS  14  -3.887  12.005  -3.527
  129   1HB   CYS  14          1HB       CYS  14  -1.397  13.619  -2.934
  130   2HB   CYS  14          2HB       CYS  14  -2.621  13.172  -1.762
  131    HA   PRO  15           HA       PRO  15  -5.781  15.801  -4.668
  132   1HB   PRO  15          1HB       PRO  15  -8.063  15.537  -3.188
  133   2HB   PRO  15          2HB       PRO  15  -7.865  14.829  -4.779
  134   1HG   PRO  15          1HG       PRO  15  -7.802  13.502  -2.138
  135   2HG   PRO  15          2HG       PRO  15  -8.032  12.786  -3.721
  136   1HD   PRO  15          1HD       PRO  15  -5.637  12.732  -2.145
  137   2HD   PRO  15          2HD       PRO  15  -5.833  12.118  -3.774
  138    H    ALA  16           H        ALA  16  -7.074  17.667  -3.430
  139    HA   ALA  16           HA       ALA  16  -5.123  18.783  -1.765
  140   1HB   ALA  16          1HB       ALA  16  -6.706  20.095  -3.110
  141   2HB   ALA  16          2HB       ALA  16  -8.066  19.469  -2.148
  142   3HB   ALA  16          3HB       ALA  16  -6.851  20.525  -1.389
  143    H    GLY  17           H        GLY  17  -4.780  18.706   0.424
  144   1HA   GLY  17          1HA       GLY  17  -5.705  18.586   2.633
  145   2HA   GLY  17          2HA       GLY  17  -6.864  17.403   2.063
  146    H    LYS  18           H        LYS  18  -5.053  15.813   0.416
  147    HA   LYS  18           HA       LYS  18  -3.641  14.474   2.592
  148   1HB   LYS  18          1HB       LYS  18  -4.450  13.492  -0.162
  149   2HB   LYS  18          2HB       LYS  18  -3.625  12.535   1.052
  150   1HG   LYS  18          1HG       LYS  18  -5.668  11.977   1.868
  151   2HG   LYS  18          2HG       LYS  18  -5.806  13.622   2.455
  152   1HD   LYS  18          1HD       LYS  18  -6.682  14.235   0.092
  153   2HD   LYS  18          2HD       LYS  18  -6.812  12.512  -0.198
  154   1HE   LYS  18          1HE       LYS  18  -8.295  12.297   1.821
  155   2HE   LYS  18          2HE       LYS  18  -8.182  14.027   2.077
  156   1HZ   LYS  18          1HZ       LYS  18  -9.148  14.340  -0.112
  157   2HZ   LYS  18          2HZ       LYS  18  -9.281  12.726  -0.318
  158   3HZ   LYS  18          3HZ       LYS  18 -10.143  13.474   0.850
  159    H    ASN  19           H        ASN  19  -1.433  14.269   2.657
  160    HA   ASN  19           HA       ASN  19  -0.007  15.157   0.288
  161   1HB   ASN  19          1HB       ASN  19   0.439  16.107   3.163
  162   2HB   ASN  19          2HB       ASN  19   1.639  16.324   1.904
  163   1HD2  ASN  19          2HD2      ASN  19  -1.574  17.142   3.016
  164   2HD2  ASN  19          1HD2      ASN  19  -1.818  18.556   2.047
  165    H    LEU  20           H        LEU  20  -0.717  12.621   2.107
  166    HA   LEU  20           HA       LEU  20   2.040  11.630   2.163
  167   1HB   LEU  20          1HB       LEU  20  -0.055  11.360   4.316
  168   2HB   LEU  20          2HB       LEU  20   1.344  10.310   4.207
  169    HG   LEU  20           HG       LEU  20   1.594  13.317   4.395
  170   1HD1  LEU  20          1HD1      LEU  20   0.325  12.577   6.334
  171   2HD1  LEU  20          2HD1      LEU  20   1.540  11.320   6.675
  172   3HD1  LEU  20          3HD1      LEU  20   1.978  13.041   6.807
  173   1HD2  LEU  20          1HD2      LEU  20   3.517  11.019   4.811
  174   2HD2  LEU  20          2HD2      LEU  20   3.596  12.317   3.595
  175   3HD2  LEU  20          3HD2      LEU  20   3.854  12.692   5.316
  176    H    CYS  21           H        CYS  21   1.912   9.069   2.406
  177    HA   CYS  21           HA       CYS  21  -0.261   8.193   0.646
  178   1HB   CYS  21          1HB       CYS  21   2.682   7.606   0.521
  179   2HB   CYS  21          2HB       CYS  21   1.523   6.444  -0.095
  180    H    TYR  22           H        TYR  22  -1.261   6.222   1.251
  181    HA   TYR  22           HA       TYR  22  -0.225   5.026   3.734
  182   1HB   TYR  22          1HB       TYR  22  -2.478   5.029   4.494
  183   2HB   TYR  22          2HB       TYR  22  -2.513   6.462   3.486
  184    HD1  TYR  22           HD1      TYR  22  -3.048   2.756   3.215
  185    HD2  TYR  22           HD2      TYR  22  -4.194   6.660   1.891
  186    HE1  TYR  22           HE1      TYR  22  -4.922   1.743   1.826
  187    HE2  TYR  22           HE2      TYR  22  -6.064   5.634   0.507
  188    HH   TYR  22           HH       TYR  22  -6.515   2.109   0.420
  189    H    LYS  23           H        LYS  23  -0.340   2.743   3.937
  190    HA   LYS  23           HA       LYS  23  -1.271   1.310   1.570
  191   1HB   LYS  23          1HB       LYS  23   0.726   0.183   1.190
  192   2HB   LYS  23          2HB       LYS  23   1.250   1.829   1.481
  193   1HG   LYS  23          1HG       LYS  23   1.606   1.184   3.936
  194   2HG   LYS  23          2HG       LYS  23   1.293  -0.479   3.478
  195   1HD   LYS  23          1HD       LYS  23   3.160  -0.056   1.646
  196   2HD   LYS  23          2HD       LYS  23   3.609   1.300   2.661
  197   1HE   LYS  23          1HE       LYS  23   4.250  -0.076   4.465
  198   2HE   LYS  23          2HE       LYS  23   3.207  -1.395   3.971
  199   1HZ   LYS  23          1HZ       LYS  23   5.626  -0.542   2.535
  200   2HZ   LYS  23          2HZ       LYS  23   5.519  -1.845   3.514
  201   3HZ   LYS  23          3HZ       LYS  23   4.668  -1.798   2.121
  202    H    MET  24           H        MET  24  -2.546  -0.379   2.132
  203    HA   MET  24           HA       MET  24  -2.535  -1.074   4.949
  204   1HB   MET  24          1HB       MET  24  -4.649  -0.344   3.577
  205   2HB   MET  24          2HB       MET  24  -4.556  -1.918   2.811
  206   1HG   MET  24          1HG       MET  24  -4.394  -2.715   5.409
  207   2HG   MET  24          2HG       MET  24  -5.280  -1.222   5.645
  208   1HE   MET  24          1HE       MET  24  -7.148  -0.519   4.007
  209   2HE   MET  24          2HE       MET  24  -8.520  -1.623   3.752
  210   3HE   MET  24          3HE       MET  24  -7.993  -1.226   5.405
  211    H    PHE  25           H        PHE  25  -1.912  -3.087   5.683
  212    HA   PHE  25           HA       PHE  25  -1.524  -5.152   3.639
  213   1HB   PHE  25          1HB       PHE  25   0.300  -3.963   5.763
  214   2HB   PHE  25          2HB       PHE  25   0.471  -5.674   5.425
  215    HD1  PHE  25           HD1      PHE  25   0.215  -2.460   3.529
  216    HD2  PHE  25           HD2      PHE  25   2.043  -6.276   3.858
  217    HE1  PHE  25           HE1      PHE  25   1.685  -1.926   1.566
  218    HE2  PHE  25           HE2      PHE  25   3.513  -5.741   1.895
  219    HZ   PHE  25           HZ       PHE  25   3.316  -3.572   0.772
  220    H    MET  26           H        MET  26  -1.325  -7.396   4.643
  221    HA   MET  26           HA       MET  26  -3.181  -7.504   6.883
  222   1HB   MET  26          1HB       MET  26  -2.589  -9.220   4.472
  223   2HB   MET  26          2HB       MET  26  -3.073 -10.075   5.924
  224   1HG   MET  26          1HG       MET  26  -4.949  -9.312   4.271
  225   2HG   MET  26          2HG       MET  26  -5.209  -9.048   5.984
  226   1HE   MET  26          1HE       MET  26  -6.879  -7.520   3.925
  227   2HE   MET  26          2HE       MET  26  -6.974  -7.159   5.665
  228   3HE   MET  26          3HE       MET  26  -6.789  -5.835   4.489
  229    H    VAL  27           H        VAL  27  -2.585  -8.427   8.830
  230    HA   VAL  27           HA       VAL  27   0.159  -8.887   9.287
  231    HB   VAL  27           HB       VAL  27  -0.568  -9.467  11.536
  232   1HG1  VAL  27          1HG1      VAL  27  -1.840  -7.061  10.225
  233   2HG1  VAL  27          2HG1      VAL  27  -1.968  -7.350  11.977
  234   3HG1  VAL  27          3HG1      VAL  27  -0.368  -7.146  11.223
  235   1HG2  VAL  27          1HG2      VAL  27  -3.210  -9.798  10.189
  236   2HG2  VAL  27          2HG2      VAL  27  -2.478 -10.719  11.525
  237   3HG2  VAL  27          3HG2      VAL  27  -3.206  -9.125  11.836
  238    H    ALA  28           H        ALA  28   0.492 -10.488   7.491
  239    HA   ALA  28           HA       ALA  28   0.625 -13.084   8.568
  240   1HB   ALA  28          1HB       ALA  28  -1.565 -12.506   6.544
  241   2HB   ALA  28          2HB       ALA  28  -0.893 -14.134   6.798
  242   3HB   ALA  28          3HB       ALA  28  -1.716 -13.293   8.134
  243    H    ALA  29           H        ALA  29   0.501 -10.965   5.656
  244    HA   ALA  29           HA       ALA  29   2.927 -12.346   4.733
  245   1HB   ALA  29          1HB       ALA  29   0.597 -11.277   3.088
  246   2HB   ALA  29          2HB       ALA  29   2.120 -11.907   2.416
  247   3HB   ALA  29          3HB       ALA  29   1.033 -12.987   3.322
  248    HA   PRO  30           HA       PRO  30   3.743  -7.944   5.374
  249   1HB   PRO  30          1HB       PRO  30   5.993  -8.214   6.900
  250   2HB   PRO  30          2HB       PRO  30   4.391  -8.014   7.582
  251   1HG   PRO  30          1HG       PRO  30   6.042 -10.461   7.412
  252   2HG   PRO  30          2HG       PRO  30   4.659 -10.138   8.440
  253   1HD   PRO  30          1HD       PRO  30   4.694 -11.743   6.063
  254   2HD   PRO  30          2HD       PRO  30   3.290 -11.326   7.025
  255    H    HIS  31           H        HIS  31   3.982  -8.622   2.968
  256    HA   HIS  31           HA       HIS  31   6.599  -7.708   2.298
  257   1HB   HIS  31          1HB       HIS  31   7.183 -10.013   2.607
  258   2HB   HIS  31          2HB       HIS  31   5.794 -10.559   1.688
  259    HD1  HIS  31           HD1      HIS  31   8.750  -8.208   0.946
  260    HD2  HIS  31           HD2      HIS  31   6.567 -11.336  -0.798
  261    HE1  HIS  31           HE1      HIS  31   9.809  -8.633  -1.336
  262    H    VAL  32           H        VAL  32   3.498  -9.223   1.239
  263    HA   VAL  32           HA       VAL  32   3.624  -7.592  -1.185
  264    HB   VAL  32           HB       VAL  32   1.806  -9.880  -0.401
  265   1HG1  VAL  32          1HG1      VAL  32   0.782  -8.267  -1.990
  266   2HG1  VAL  32          2HG1      VAL  32   2.152  -8.525  -3.097
  267   3HG1  VAL  32          3HG1      VAL  32   1.054  -9.872  -2.710
  268   1HG2  VAL  32          1HG2      VAL  32   4.254  -9.783  -2.191
  269   2HG2  VAL  32          2HG2      VAL  32   4.051 -10.704  -0.682
  270   3HG2  VAL  32          3HG2      VAL  32   3.110 -11.145  -2.127
  271    HA   PRO  33           HA       PRO  33   0.776  -4.883   0.661
  272   1HB   PRO  33          1HB       PRO  33   0.283  -3.282  -1.499
  273   2HB   PRO  33          2HB       PRO  33   1.673  -3.077  -0.452
  274   1HG   PRO  33          1HG       PRO  33   1.557  -4.217  -3.177
  275   2HG   PRO  33          2HG       PRO  33   2.948  -3.618  -2.296
  276   1HD   PRO  33          1HD       PRO  33   2.242  -6.365  -2.726
  277   2HD   PRO  33          2HD       PRO  33   3.567  -5.764  -1.749
  278    H    VAL  34           H        VAL  34  -1.464  -4.211   0.708
  279    HA   VAL  34           HA       VAL  34  -3.030  -6.182  -0.801
  280    HB   VAL  34           HB       VAL  34  -3.728  -4.689   1.734
  281   1HG1  VAL  34          1HG1      VAL  34  -5.684  -5.367   0.416
  282   2HG1  VAL  34          2HG1      VAL  34  -5.078  -7.040   0.363
  283   3HG1  VAL  34          3HG1      VAL  34  -5.561  -6.317   1.916
  284   1HG2  VAL  34          1HG2      VAL  34  -1.782  -6.395   1.817
  285   2HG2  VAL  34          2HG2      VAL  34  -3.100  -6.552   3.003
  286   3HG2  VAL  34          3HG2      VAL  34  -3.047  -7.625   1.584
  287    H    LYS  35           H        LYS  35  -3.351  -2.836   0.597
  288    HA   LYS  35           HA       LYS  35  -4.610  -2.080  -1.944
  289   1HB   LYS  35          1HB       LYS  35  -5.535  -1.251   0.824
  290   2HB   LYS  35          2HB       LYS  35  -6.197  -0.680  -0.694
  291   1HG   LYS  35          1HG       LYS  35  -7.446  -2.564  -0.982
  292   2HG   LYS  35          2HG       LYS  35  -6.093  -3.616  -0.619
  293   1HD   LYS  35          1HD       LYS  35  -6.467  -3.424   1.774
  294   2HD   LYS  35          2HD       LYS  35  -7.609  -2.113   1.558
  295   1HE   LYS  35          1HE       LYS  35  -8.130  -4.825   0.288
  296   2HE   LYS  35          2HE       LYS  35  -8.527  -4.545   1.972
  297   1HZ   LYS  35          1HZ       LYS  35  -9.859  -2.657   1.262
  298   2HZ   LYS  35          2HZ       LYS  35  -9.522  -2.975  -0.304
  299   3HZ   LYS  35          3HZ       LYS  35 -10.383  -4.045   0.580
  300    H    ARG  36           H        ARG  36  -4.472   0.308  -2.368
  301    HA   ARG  36           HA       ARG  36  -2.389   1.596  -0.859
  302   1HB   ARG  36          1HB       ARG  36  -2.223   1.019  -3.854
  303   2HB   ARG  36          2HB       ARG  36  -1.258   2.266  -3.089
  304   1HG   ARG  36          1HG       ARG  36   0.213   0.453  -2.976
  305   2HG   ARG  36          2HG       ARG  36  -0.564   0.336  -1.410
  306   1HD   ARG  36          1HD       ARG  36  -1.113  -1.802  -1.966
  307   2HD   ARG  36          2HD       ARG  36  -2.288  -1.124  -3.075
  308    HE   ARG  36           HE       ARG  36   0.059  -1.033  -4.536
  309   1HH1  ARG  36          1HH1      ARG  36  -1.618  -3.588  -2.792
  310   2HH1  ARG  36          2HH1      ARG  36  -1.037  -4.851  -3.826
  311   1HH2  ARG  36          1HH2      ARG  36   0.825  -2.698  -5.901
  312   2HH2  ARG  36          2HH2      ARG  36   0.362  -4.341  -5.606
  313    H    GLY  37           H        GLY  37  -2.863   3.784  -0.626
  314   1HA   GLY  37          1HA       GLY  37  -4.341   5.198  -2.671
  315   2HA   GLY  37          2HA       GLY  37  -5.241   4.911  -1.196
  316    H    CYS  38           H        CYS  38  -5.024   7.476  -1.509
  317    HA   CYS  38           HA       CYS  38  -2.527   8.365  -0.299
  318   1HB   CYS  38          1HB       CYS  38  -4.700   9.760  -1.840
  319   2HB   CYS  38          2HB       CYS  38  -3.594  10.669  -0.829
  320    H    ILE  39           H        ILE  39  -2.711   9.951   1.545
  321    HA   ILE  39           HA       ILE  39  -5.247   9.995   2.920
  322    HB   ILE  39           HB       ILE  39  -4.031   7.821   3.501
  323   1HG1  ILE  39          1HG1      ILE  39  -4.564   9.385   5.989
  324   2HG1  ILE  39          2HG1      ILE  39  -5.858   9.266   4.813
  325   1HG2  ILE  39          1HG2      ILE  39  -1.781   8.792   3.719
  326   2HG2  ILE  39          2HG2      ILE  39  -2.330   9.730   5.128
  327   3HG2  ILE  39          3HG2      ILE  39  -2.300   7.952   5.200
  328   1HD1  ILE  39          1HD1      ILE  39  -4.331   6.888   5.971
  329   2HD1  ILE  39          2HD1      ILE  39  -5.954   7.416   6.476
  330   3HD1  ILE  39          3HD1      ILE  39  -5.692   6.796   4.828
  331    H    ASP  40           H        ASP  40  -5.009  11.374   4.995
  332    HA   ASP  40           HA       ASP  40  -3.109  13.478   4.335
  333   1HB   ASP  40          1HB       ASP  40  -5.262  14.443   4.273
  334   2HB   ASP  40          2HB       ASP  40  -5.864  13.434   5.573
  335    H    VAL  41           H        VAL  41  -4.891  11.989   7.155
  336    HA   VAL  41           HA       VAL  41  -2.545  12.566   8.817
  337    HB   VAL  41           HB       VAL  41  -4.846  13.494   9.367
  338   1HG1  VAL  41          1HG1      VAL  41  -6.042  11.338   8.802
  339   2HG1  VAL  41          2HG1      VAL  41  -5.397  10.669  10.320
  340   3HG1  VAL  41          3HG1      VAL  41  -6.490  12.073  10.360
  341   1HG2  VAL  41          1HG2      VAL  41  -3.411  11.770  11.415
  342   2HG2  VAL  41          2HG2      VAL  41  -3.036  13.458  10.996
  343   3HG2  VAL  41          3HG2      VAL  41  -4.578  13.061  11.791
  344    H    CYS  42           H        CYS  42  -1.261  10.910   9.464
  345    HA   CYS  42           HA       CYS  42  -1.761   8.324   8.502
  346   1HB   CYS  42          1HB       CYS  42   0.480   9.397   8.961
  347   2HB   CYS  42          2HB       CYS  42   0.196   9.107  10.666
  348    HA   PRO  43           HA       PRO  43  -4.397   7.272  11.886
  349   1HB   PRO  43          1HB       PRO  43  -5.326   4.913  10.866
  350   2HB   PRO  43          2HB       PRO  43  -6.051   6.467  10.501
  351   1HG   PRO  43          1HG       PRO  43  -4.325   4.780   8.793
  352   2HG   PRO  43          2HG       PRO  43  -5.387   6.093   8.324
  353   1HD   PRO  43          1HD       PRO  43  -2.529   6.193   8.545
  354   2HD   PRO  43          2HD       PRO  43  -3.600   7.533   8.189
  355    H    LYS  44           H        LYS  44  -4.854   5.084  13.179
  356    HA   LYS  44           HA       LYS  44  -2.173   4.340  14.002
  357   1HB   LYS  44          1HB       LYS  44  -4.232   5.065  15.495
  358   2HB   LYS  44          2HB       LYS  44  -4.670   3.375  15.353
  359   1HG   LYS  44          1HG       LYS  44  -2.762   2.630  16.499
  360   2HG   LYS  44          2HG       LYS  44  -1.807   4.028  16.044
  361   1HD   LYS  44          1HD       LYS  44  -3.217   5.456  17.569
  362   2HD   LYS  44          2HD       LYS  44  -4.110   4.029  18.054
  363   1HE   LYS  44          1HE       LYS  44  -1.083   4.296  18.362
  364   2HE   LYS  44          2HE       LYS  44  -2.219   4.706  19.631
  365   1HZ   LYS  44          1HZ       LYS  44  -3.085   2.400  19.365
  366   2HZ   LYS  44          2HZ       LYS  44  -1.798   2.073  18.414
  367   3HZ   LYS  44          3HZ       LYS  44  -1.573   2.503  19.974
  368    H    SER  45           H        SER  45  -2.013   1.883  14.730
  369    HA   SER  45           HA       SER  45  -2.945   0.377  12.416
  370   1HB   SER  45          1HB       SER  45  -0.455   0.174  14.134
  371   2HB   SER  45          2HB       SER  45  -0.993  -1.204  13.194
  372    HG   SER  45           HG       SER  45  -0.357   1.429  12.163
  373    H    SER  46           H        SER  46  -3.618  -1.895  12.794
  374    HA   SER  46           HA       SER  46  -4.573  -2.221  15.531
  375   1HB   SER  46          1HB       SER  46  -6.268  -3.822  14.310
  376   2HB   SER  46          2HB       SER  46  -6.534  -2.090  14.269
  377    HG   SER  46           HG       SER  46  -5.749  -1.982  12.153
  378    H    LEU  47           H        LEU  47  -5.189  -4.844  15.721
  379    HA   LEU  47           HA       LEU  47  -2.601  -6.098  15.443
  380   1HB   LEU  47          1HB       LEU  47  -5.146  -7.103  16.723
  381   2HB   LEU  47          2HB       LEU  47  -3.562  -7.842  16.841
  382    HG   LEU  47           HG       LEU  47  -4.288  -5.097  17.904
  383   1HD1  LEU  47          1HD1      LEU  47  -5.432  -6.865  19.137
  384   2HD1  LEU  47          2HD1      LEU  47  -3.886  -7.712  19.384
  385   3HD1  LEU  47          3HD1      LEU  47  -4.155  -6.117  20.126
  386   1HD2  LEU  47          1HD2      LEU  47  -1.732  -6.708  18.030
  387   2HD2  LEU  47          2HD2      LEU  47  -1.980  -5.077  17.362
  388   3HD2  LEU  47          3HD2      LEU  47  -2.087  -5.345  19.119
  389    H    LEU  48           H        LEU  48  -5.630  -5.901  13.747
  390    HA   LEU  48           HA       LEU  48  -5.218  -8.461  12.445
  391   1HB   LEU  48          1HB       LEU  48  -7.455  -7.941  13.087
  392   2HB   LEU  48          2HB       LEU  48  -7.387  -6.371  12.310
  393    HG   LEU  48           HG       LEU  48  -7.214  -7.493  10.098
  394   1HD1  LEU  48          1HD1      LEU  48  -7.555 -10.012  11.741
  395   2HD1  LEU  48          2HD1      LEU  48  -7.812  -9.922   9.982
  396   3HD1  LEU  48          3HD1      LEU  48  -6.204  -9.582  10.664
  397   1HD2  LEU  48          1HD2      LEU  48  -9.371  -6.719  10.930
  398   2HD2  LEU  48          2HD2      LEU  48  -9.555  -8.212   9.979
  399   3HD2  LEU  48          3HD2      LEU  48  -9.628  -8.274  11.757
  400    H    VAL  49           H        VAL  49  -5.764  -5.035  11.345
  401    HA   VAL  49           HA       VAL  49  -4.052  -5.673   9.052
  402    HB   VAL  49           HB       VAL  49  -6.510  -4.888   8.861
  403   1HG1  VAL  49          1HG1      VAL  49  -5.115  -2.284   9.548
  404   2HG1  VAL  49          2HG1      VAL  49  -6.693  -2.379   8.729
  405   3HG1  VAL  49          3HG1      VAL  49  -6.504  -3.030  10.375
  406   1HG2  VAL  49          1HG2      VAL  49  -4.961  -5.104   6.969
  407   2HG2  VAL  49          2HG2      VAL  49  -6.003  -3.672   6.788
  408   3HG2  VAL  49          3HG2      VAL  49  -4.311  -3.482   7.307
  409    H    LYS  50           H        LYS  50  -2.547  -3.943   8.319
  410    HA   LYS  50           HA       LYS  50  -1.711  -2.246  10.563
  411   1HB   LYS  50          1HB       LYS  50   0.591  -2.745  10.134
  412   2HB   LYS  50          2HB       LYS  50  -0.264  -4.258  10.358
  413   1HG   LYS  50          1HG       LYS  50  -0.498  -4.363   7.790
  414   2HG   LYS  50          2HG       LYS  50   0.622  -3.018   7.716
  415   1HD   LYS  50          1HD       LYS  50   1.558  -5.211   9.477
  416   2HD   LYS  50          2HD       LYS  50   1.330  -5.716   7.815
  417   1HE   LYS  50          1HE       LYS  50   3.598  -4.921   7.962
  418   2HE   LYS  50          2HE       LYS  50   2.709  -3.684   7.096
  419   1HZ   LYS  50          1HZ       LYS  50   3.196  -3.603   9.991
  420   2HZ   LYS  50          2HZ       LYS  50   4.123  -2.834   8.888
  421   3HZ   LYS  50          3HZ       LYS  50   2.557  -2.412   9.075
  422    H    TYR  51           H        TYR  51  -1.130  -0.140  10.040
  423    HA   TYR  51           HA       TYR  51  -1.374   0.528   7.183
  424   1HB   TYR  51          1HB       TYR  51  -2.464   1.639   9.794
  425   2HB   TYR  51          2HB       TYR  51  -2.054   2.812   8.558
  426    HD1  TYR  51           HD1      TYR  51  -3.090   2.391   6.176
  427    HD2  TYR  51           HD2      TYR  51  -4.580   0.648   9.788
  428    HE1  TYR  51           HE1      TYR  51  -5.343   1.997   5.066
  429    HE2  TYR  51           HE2      TYR  51  -6.828   0.260   8.665
  430    HH   TYR  51           HH       TYR  51  -8.060   0.683   6.917
  431    H    VAL  52           H        VAL  52   0.526   1.227   6.353
  432    HA   VAL  52           HA       VAL  52   2.311   2.668   8.192
  433    HB   VAL  52           HB       VAL  52   2.949   0.824   5.882
  434   1HG1  VAL  52          1HG1      VAL  52   4.776   2.549   7.585
  435   2HG1  VAL  52          2HG1      VAL  52   5.339   1.214   6.550
  436   3HG1  VAL  52          3HG1      VAL  52   4.538   2.627   5.822
  437   1HG2  VAL  52          1HG2      VAL  52   3.470   0.589   8.866
  438   2HG2  VAL  52          2HG2      VAL  52   2.322  -0.375   7.907
  439   3HG2  VAL  52          3HG2      VAL  52   4.072  -0.535   7.623
  440    H    CYS  53           H        CYS  53   2.759   4.752   7.664
  441    HA   CYS  53           HA       CYS  53   1.918   5.592   4.990
  442   1HB   CYS  53          1HB       CYS  53   2.371   7.534   7.218
  443   2HB   CYS  53          2HB       CYS  53   1.316   7.655   5.824
  444    H    CYS  54           H        CYS  54   3.319   7.372   4.018
  445    HA   CYS  54           HA       CYS  54   5.940   7.674   5.113
  446   1HB   CYS  54          1HB       CYS  54   6.839   6.861   2.732
  447   2HB   CYS  54          2HB       CYS  54   6.767   5.828   4.146
  448    H    ASN  55           H        ASN  55   7.087   9.422   3.978
  449    HA   ASN  55           HA       ASN  55   5.222  10.995   2.402
  450   1HB   ASN  55          1HB       ASN  55   6.748  12.919   2.987
  451   2HB   ASN  55          2HB       ASN  55   6.084  12.135   4.407
  452   1HD2  ASN  55          2HD2      ASN  55   8.341  13.691   4.518
  453   2HD2  ASN  55          1HD2      ASN  55   9.732  12.728   4.890
  454    H    THR  56           H        THR  56   6.315   8.944   0.925
  455    HA   THR  56           HA       THR  56   8.288  10.337  -0.736
  456    HB   THR  56           HB       THR  56   9.263   7.850  -0.942
  457    HG1  THR  56           HG1      THR  56   8.867   6.767   1.114
  458   1HG2  THR  56          1HG2      THR  56  10.493   9.837   0.092
  459   2HG2  THR  56          2HG2      THR  56   9.712   9.434   1.640
  460   3HG2  THR  56          3HG2      THR  56  10.840   8.282   0.885
  461    H    ASP  57           H        ASP  57   8.331   9.627  -2.970
  462    HA   ASP  57           HA       ASP  57   5.707   9.156  -3.857
  463   1HB   ASP  57          1HB       ASP  57   8.395   9.182  -5.304
  464   2HB   ASP  57          2HB       ASP  57   6.862   9.039  -6.139
  465    H    LYS  58           H        LYS  58   4.904   7.240  -4.988
  466    HA   LYS  58           HA       LYS  58   4.599   5.035  -5.065
  467   1HB   LYS  58          1HB       LYS  58   6.545   5.822  -6.835
  468   2HB   LYS  58          2HB       LYS  58   7.335   4.487  -6.020
  469   1HG   LYS  58          1HG       LYS  58   4.512   4.311  -7.170
  470   2HG   LYS  58          2HG       LYS  58   5.944   3.844  -8.066
  471   1HD   LYS  58          1HD       LYS  58   5.309   2.674  -5.325
  472   2HD   LYS  58          2HD       LYS  58   4.679   1.968  -6.800
  473   1HE   LYS  58          1HE       LYS  58   7.079   1.814  -7.661
  474   2HE   LYS  58          2HE       LYS  58   7.624   2.338  -6.080
  475   1HZ   LYS  58          1HZ       LYS  58   6.486   0.435  -5.134
  476   2HZ   LYS  58          2HZ       LYS  58   6.010  -0.059  -6.616
  477   3HZ   LYS  58          3HZ       LYS  58   7.597  -0.037  -6.233
  478    H    CYS  59           H        CYS  59   5.129   5.796  -2.455
  479    HA   CYS  59           HA       CYS  59   7.163   3.967  -1.492
  480   1HB   CYS  59          1HB       CYS  59   7.107   5.093   0.523
  481   2HB   CYS  59          2HB       CYS  59   6.853   6.364  -0.656
  482    H    ASN  60           H        ASN  60   3.619   4.558  -1.561
  483    HA   ASN  60           HA       ASN  60   3.113   2.327   0.139
  484   1HB   ASN  60          1HB       ASN  60   0.744   2.886  -0.215
  485   2HB   ASN  60          2HB       ASN  60   1.630   4.374   0.056
  486   1HD2  ASN  60          2HD2      ASN  60  -0.784   4.473  -1.129
  487   2HD2  ASN  60          1HD2      ASN  60  -0.662   4.888  -2.806
  488   1H    HOH  61          1H        HOH  61  -0.823  -8.192   2.514
  489   2H    HOH  61          2H        HOH  61  -1.040  -9.414   3.380
  490   1H    HOH  62          1H        HOH  62   3.341 -11.136   9.361
  491   2H    HOH  62          2H        HOH  62   2.546 -11.810  10.458
  Start of MODEL   19
    1    H    LEU   1           H        LEU   1   4.837  13.632  -5.561
    2    HA   LEU   1           HA       LEU   1   3.377  13.202  -3.842
    3   1HB   LEU   1          1HB       LEU   1   2.077  15.670  -4.887
    4   2HB   LEU   1          2HB       LEU   1   1.075  14.520  -4.024
    5    HG   LEU   1           HG       LEU   1   1.961  16.352  -2.605
    6   1HD1  LEU   1          1HD1      LEU   1   1.317  14.097  -1.714
    7   2HD1  LEU   1          2HD1      LEU   1   3.042  13.659  -1.745
    8   3HD1  LEU   1          3HD1      LEU   1   2.482  14.996  -0.713
    9   1HD2  LEU   1          1HD2      LEU   1   4.178  16.478  -3.821
   10   2HD2  LEU   1          2HD2      LEU   1   4.251  16.565  -2.044
   11   3HD2  LEU   1          3HD2      LEU   1   4.677  15.052  -2.879
   12    H    LYS   2           H        LYS   2   3.797  11.506  -5.731
   13    HA   LYS   2           HA       LYS   2   1.121  10.770  -6.668
   14   1HB   LYS   2          1HB       LYS   2   1.946  10.132  -8.817
   15   2HB   LYS   2          2HB       LYS   2   2.433  11.790  -8.528
   16   1HG   LYS   2          1HG       LYS   2   4.684  10.886  -7.698
   17   2HG   LYS   2          2HG       LYS   2   4.177   9.301  -8.247
   18   1HD   LYS   2          1HD       LYS   2   4.262  11.755 -10.062
   19   2HD   LYS   2          2HD       LYS   2   5.591  10.623  -9.913
   20   1HE   LYS   2          1HE       LYS   2   4.592   9.411 -11.558
   21   2HE   LYS   2          2HE       LYS   2   3.398   8.940 -10.365
   22   1HZ   LYS   2          1HZ       LYS   2   2.132  10.912 -10.981
   23   2HZ   LYS   2          2HZ       LYS   2   3.225  11.276 -12.139
   24   3HZ   LYS   2          3HZ       LYS   2   2.341   9.907 -12.251
   25    H    CYS   3           H        CYS   3   0.583   8.630  -6.349
   26    HA   CYS   3           HA       CYS   3   2.751   6.857  -5.543
   27   1HB   CYS   3          1HB       CYS   3   0.442   7.713  -3.878
   28   2HB   CYS   3          2HB       CYS   3   0.858   6.011  -3.838
   29    H    LYS   4           H        LYS   4   1.584   4.496  -5.278
   30    HA   LYS   4           HA       LYS   4   0.164   4.152  -7.791
   31   1HB   LYS   4          1HB       LYS   4   1.433   2.142  -5.906
   32   2HB   LYS   4          2HB       LYS   4   0.672   1.752  -7.436
   33   1HG   LYS   4          1HG       LYS   4   2.298   3.316  -8.591
   34   2HG   LYS   4          2HG       LYS   4   3.095   3.573  -7.052
   35   1HD   LYS   4          1HD       LYS   4   2.703   0.780  -8.203
   36   2HD   LYS   4          2HD       LYS   4   4.092   1.762  -8.624
   37   1HE   LYS   4          1HE       LYS   4   4.650   1.976  -6.171
   38   2HE   LYS   4          2HE       LYS   4   3.298   0.926  -5.793
   39   1HZ   LYS   4          1HZ       LYS   4   4.333  -0.784  -7.131
   40   2HZ   LYS   4          2HZ       LYS   4   5.595   0.194  -7.474
   41   3HZ   LYS   4          3HZ       LYS   4   5.338  -0.301  -5.939
   42    H    LYS   5           H        LYS   5  -1.807   2.860  -7.920
   43    HA   LYS   5           HA       LYS   5  -3.479   3.374  -5.599
   44   1HB   LYS   5          1HB       LYS   5  -4.129   2.566  -8.448
   45   2HB   LYS   5          2HB       LYS   5  -5.326   2.790  -7.188
   46   1HG   LYS   5          1HG       LYS   5  -3.807   5.128  -6.997
   47   2HG   LYS   5          2HG       LYS   5  -3.807   4.818  -8.722
   48   1HD   LYS   5          1HD       LYS   5  -5.790   6.024  -8.538
   49   2HD   LYS   5          2HD       LYS   5  -6.413   4.397  -8.352
   50   1HE   LYS   5          1HE       LYS   5  -5.979   4.781  -5.775
   51   2HE   LYS   5          2HE       LYS   5  -5.914   6.479  -6.199
   52   1HZ   LYS   5          1HZ       LYS   5  -8.094   6.164  -7.271
   53   2HZ   LYS   5          2HZ       LYS   5  -8.155   4.645  -6.675
   54   3HZ   LYS   5          3HZ       LYS   5  -8.125   5.921  -5.657
   55    H    LEU   6           H        LEU   6  -5.402   1.378  -5.821
   56    HA   LEU   6           HA       LEU   6  -4.339  -0.643  -4.321
   57   1HB   LEU   6          1HB       LEU   6  -6.725  -0.805  -6.167
   58   2HB   LEU   6          2HB       LEU   6  -6.391  -1.861  -4.809
   59    HG   LEU   6           HG       LEU   6  -6.364   0.805  -3.811
   60   1HD1  LEU   6          1HD1      LEU   6  -7.585   1.476  -5.821
   61   2HD1  LEU   6          2HD1      LEU   6  -8.812   0.226  -5.503
   62   3HD1  LEU   6          3HD1      LEU   6  -8.612   1.585  -4.371
   63   1HD2  LEU   6          1HD2      LEU   6  -6.947  -1.294  -2.610
   64   2HD2  LEU   6          2HD2      LEU   6  -8.130   0.017  -2.384
   65   3HD2  LEU   6          3HD2      LEU   6  -8.492  -1.327  -3.494
   66    H    VAL   7           H        VAL   7  -4.695  -0.423  -7.900
   67    HA   VAL   7           HA       VAL   7  -3.288  -2.977  -8.115
   68    HB   VAL   7           HB       VAL   7  -4.716  -1.315 -10.200
   69   1HG1  VAL   7          1HG1      VAL   7  -2.903  -2.804 -11.062
   70   2HG1  VAL   7          2HG1      VAL   7  -3.763  -4.193 -10.356
   71   3HG1  VAL   7          3HG1      VAL   7  -4.526  -3.237 -11.648
   72   1HG2  VAL   7          1HG2      VAL   7  -5.630  -3.729  -8.604
   73   2HG2  VAL   7          2HG2      VAL   7  -6.335  -2.095  -8.602
   74   3HG2  VAL   7          3HG2      VAL   7  -6.458  -3.115 -10.055
   75    HA   PRO   8           HA       PRO   8   0.320  -0.761  -9.073
   76   1HB   PRO   8          1HB       PRO   8   1.918  -2.865  -9.772
   77   2HB   PRO   8          2HB       PRO   8   1.647  -2.378  -8.110
   78   1HG   PRO   8          1HG       PRO   8   0.533  -4.697  -9.566
   79   2HG   PRO   8          2HG       PRO   8   0.624  -4.427  -7.837
   80   1HD   PRO   8          1HD       PRO   8  -1.701  -4.160  -9.495
   81   2HD   PRO   8          2HD       PRO   8  -1.581  -3.779  -7.789
   82    H    LEU   9           H        LEU   9  -1.416  -0.138 -10.899
   83    HA   LEU   9           HA       LEU   9   0.188  -0.417 -13.306
   84   1HB   LEU   9          1HB       LEU   9  -2.605  -1.438 -12.962
   85   2HB   LEU   9          2HB       LEU   9  -2.111  -0.777 -14.509
   86    HG   LEU   9           HG       LEU   9  -0.433  -2.900 -13.201
   87   1HD1  LEU   9          1HD1      LEU   9  -3.028  -3.347 -14.690
   88   2HD1  LEU   9          2HD1      LEU   9  -1.779  -4.599 -14.485
   89   3HD1  LEU   9          3HD1      LEU   9  -2.582  -3.902 -13.058
   90   1HD2  LEU   9          1HD2      LEU   9   0.447  -1.747 -15.172
   91   2HD2  LEU   9          2HD2      LEU   9   0.121  -3.463 -15.513
   92   3HD2  LEU   9          3HD2      LEU   9  -1.000  -2.211 -16.098
   93    H    PHE  10           H        PHE  10  -2.712   0.991 -11.669
   94    HA   PHE  10           HA       PHE  10  -2.343   3.387 -13.298
   95   1HB   PHE  10          1HB       PHE  10  -4.523   2.151 -11.543
   96   2HB   PHE  10          2HB       PHE  10  -4.615   3.853 -11.952
   97    HD1  PHE  10           HD1      PHE  10  -4.784   0.439 -13.279
   98    HD2  PHE  10           HD2      PHE  10  -5.155   4.566 -14.195
   99    HE1  PHE  10           HE1      PHE  10  -5.888  -0.144 -15.456
  100    HE2  PHE  10           HE2      PHE  10  -6.260   3.983 -16.373
  101    HZ   PHE  10           HZ       PHE  10  -6.613   1.635 -16.977
  102    H    SER  11           H        SER  11  -1.769   5.368 -12.419
  103    HA   SER  11           HA       SER  11  -1.255   5.300  -9.548
  104   1HB   SER  11          1HB       SER  11   0.452   7.189 -10.214
  105   2HB   SER  11          2HB       SER  11   0.883   5.509 -10.466
  106    HG   SER  11           HG       SER  11  -0.087   7.392 -12.435
  107    H    LYS  12           H        LYS  12  -1.655   7.314  -8.353
  108    HA   LYS  12           HA       LYS  12  -3.128   9.351  -9.823
  109   1HB   LYS  12          1HB       LYS  12  -4.314   7.420  -7.957
  110   2HB   LYS  12          2HB       LYS  12  -4.630   9.085  -7.514
  111   1HG   LYS  12          1HG       LYS  12  -5.202   9.391 -10.083
  112   2HG   LYS  12          2HG       LYS  12  -5.357   7.645 -10.081
  113   1HD   LYS  12          1HD       LYS  12  -6.928   7.948  -8.030
  114   2HD   LYS  12          2HD       LYS  12  -6.946   9.653  -8.432
  115   1HE   LYS  12          1HE       LYS  12  -7.758   9.089 -10.742
  116   2HE   LYS  12          2HE       LYS  12  -7.766   7.389 -10.316
  117   1HZ   LYS  12          1HZ       LYS  12  -9.352   7.895  -8.580
  118   2HZ   LYS  12          2HZ       LYS  12  -9.347   9.478  -8.982
  119   3HZ   LYS  12          3HZ       LYS  12  -9.924   8.370 -10.035
  120    H    THR  13           H        THR  13  -2.943  11.431  -8.920
  121    HA   THR  13           HA       THR  13  -0.812  11.626  -6.934
  122    HB   THR  13           HB       THR  13  -2.005  13.352  -9.108
  123    HG1  THR  13           HG1      THR  13   0.681  13.012  -7.998
  124   1HG2  THR  13          1HG2      THR  13  -0.589  14.333  -6.588
  125   2HG2  THR  13          2HG2      THR  13  -0.453  15.204  -8.134
  126   3HG2  THR  13          3HG2      THR  13  -2.044  15.009  -7.359
  127    H    CYS  14           H        CYS  14  -1.067  12.282  -4.872
  128    HA   CYS  14           HA       CYS  14  -3.604  12.251  -3.757
  129   1HB   CYS  14          1HB       CYS  14  -1.054  13.443  -2.646
  130   2HB   CYS  14          2HB       CYS  14  -2.505  13.107  -1.722
  131    HA   PRO  15           HA       PRO  15  -4.643  16.366  -4.995
  132   1HB   PRO  15          1HB       PRO  15  -7.308  16.226  -4.406
  133   2HB   PRO  15          2HB       PRO  15  -6.638  15.710  -5.941
  134   1HG   PRO  15          1HG       PRO  15  -7.597  14.054  -3.688
  135   2HG   PRO  15          2HG       PRO  15  -7.330  13.589  -5.356
  136   1HD   PRO  15          1HD       PRO  15  -5.634  13.003  -3.118
  137   2HD   PRO  15          2HD       PRO  15  -5.311  12.640  -4.802
  138    H    ALA  16           H        ALA  16  -5.993  18.264  -3.982
  139    HA   ALA  16           HA       ALA  16  -4.679  18.980  -1.696
  140   1HB   ALA  16          1HB       ALA  16  -7.448  19.786  -2.675
  141   2HB   ALA  16          2HB       ALA  16  -6.490  20.674  -1.466
  142   3HB   ALA  16          3HB       ALA  16  -5.901  20.535  -3.140
  143    H    GLY  17           H        GLY  17  -4.882  18.584   0.479
  144   1HA   GLY  17          1HA       GLY  17  -6.358  18.152   2.339
  145   2HA   GLY  17          2HA       GLY  17  -7.248  17.028   1.331
  146    H    LYS  18           H        LYS  18  -5.047  15.688   0.035
  147    HA   LYS  18           HA       LYS  18  -3.916  14.302   2.363
  148   1HB   LYS  18          1HB       LYS  18  -4.509  13.197  -0.398
  149   2HB   LYS  18          2HB       LYS  18  -3.863  12.299   0.961
  150   1HG   LYS  18          1HG       LYS  18  -6.037  11.820   1.459
  151   2HG   LYS  18          2HG       LYS  18  -6.114  13.451   2.096
  152   1HD   LYS  18          1HD       LYS  18  -6.827  14.278  -0.177
  153   2HD   LYS  18          2HD       LYS  18  -6.811  12.626  -0.763
  154   1HE   LYS  18          1HE       LYS  18  -8.529  12.000   0.946
  155   2HE   LYS  18          2HE       LYS  18  -8.542  13.648   1.540
  156   1HZ   LYS  18          1HZ       LYS  18  -9.244  12.830  -1.194
  157   2HZ   LYS  18          2HZ       LYS  18 -10.302  13.267  -0.029
  158   3HZ   LYS  18          3HZ       LYS  18  -9.258  14.365  -0.639
  159    H    ASN  19           H        ASN  19  -1.705  13.996   2.500
  160    HA   ASN  19           HA       ASN  19  -0.165  14.845   0.197
  161   1HB   ASN  19          1HB       ASN  19   0.108  15.900   3.053
  162   2HB   ASN  19          2HB       ASN  19   1.417  16.025   1.895
  163   1HD2  ASN  19          2HD2      ASN  19  -1.825  17.012   2.724
  164   2HD2  ASN  19          1HD2      ASN  19  -1.953  18.374   1.662
  165    H    LEU  20           H        LEU  20  -0.974  12.341   1.969
  166    HA   LEU  20           HA       LEU  20   1.771  11.355   2.234
  167   1HB   LEU  20          1HB       LEU  20  -0.458  11.091   4.252
  168   2HB   LEU  20          2HB       LEU  20   0.974  10.080   4.255
  169    HG   LEU  20           HG       LEU  20   1.191  13.087   4.359
  170   1HD1  LEU  20          1HD1      LEU  20   0.835  11.222   6.721
  171   2HD1  LEU  20          2HD1      LEU  20   1.292  12.940   6.812
  172   3HD1  LEU  20          3HD1      LEU  20  -0.304  12.476   6.175
  173   1HD2  LEU  20          1HD2      LEU  20   3.019  10.822   5.198
  174   2HD2  LEU  20          2HD2      LEU  20   3.243  11.949   3.838
  175   3HD2  LEU  20          3HD2      LEU  20   3.329  12.547   5.513
  176    H    CYS  21           H        CYS  21   1.748   8.852   2.347
  177    HA   CYS  21           HA       CYS  21  -0.368   7.924   0.542
  178   1HB   CYS  21          1HB       CYS  21   2.555   7.159   0.617
  179   2HB   CYS  21          2HB       CYS  21   1.340   6.280  -0.290
  180    H    TYR  22           H        TYR  22  -1.602   6.261   1.375
  181    HA   TYR  22           HA       TYR  22  -0.595   4.990   3.822
  182   1HB   TYR  22          1HB       TYR  22  -2.892   4.979   4.440
  183   2HB   TYR  22          2HB       TYR  22  -2.881   6.386   3.396
  184    HD1  TYR  22           HD1      TYR  22  -3.346   2.667   3.179
  185    HD2  TYR  22           HD2      TYR  22  -4.467   6.522   1.702
  186    HE1  TYR  22           HE1      TYR  22  -5.116   1.594   1.703
  187    HE2  TYR  22           HE2      TYR  22  -6.234   5.436   0.231
  188    HH   TYR  22           HH       TYR  22  -6.622   1.903   0.189
  189    H    LYS  23           H        LYS  23  -0.678   2.714   4.072
  190    HA   LYS  23           HA       LYS  23  -1.464   1.201   1.704
  191   1HB   LYS  23          1HB       LYS  23   0.572   0.108   1.441
  192   2HB   LYS  23          2HB       LYS  23   1.046   1.774   1.705
  193   1HG   LYS  23          1HG       LYS  23   1.207   1.130   4.235
  194   2HG   LYS  23          2HG       LYS  23   1.148  -0.533   3.684
  195   1HD   LYS  23          1HD       LYS  23   3.062   0.493   1.985
  196   2HD   LYS  23          2HD       LYS  23   3.334   1.480   3.407
  197   1HE   LYS  23          1HE       LYS  23   4.192  -0.270   4.611
  198   2HE   LYS  23          2HE       LYS  23   2.952  -1.380   4.064
  199   1HZ   LYS  23          1HZ       LYS  23   4.145  -1.506   1.946
  200   2HZ   LYS  23          2HZ       LYS  23   5.336  -0.568   2.553
  201   3HZ   LYS  23          3HZ       LYS  23   5.045  -2.039   3.200
  202    H    MET  24           H        MET  24  -2.579  -0.637   2.211
  203    HA   MET  24           HA       MET  24  -2.688  -1.240   5.060
  204   1HB   MET  24          1HB       MET  24  -4.794  -0.523   3.696
  205   2HB   MET  24          2HB       MET  24  -4.674  -2.070   2.880
  206   1HG   MET  24          1HG       MET  24  -4.793  -3.223   5.132
  207   2HG   MET  24          2HG       MET  24  -5.015  -1.660   5.891
  208   1HE   MET  24          1HE       MET  24  -6.993  -4.168   6.089
  209   2HE   MET  24          2HE       MET  24  -7.270  -2.636   6.951
  210   3HE   MET  24          3HE       MET  24  -8.574  -3.358   5.978
  211    H    PHE  25           H        PHE  25  -1.959  -3.205   5.793
  212    HA   PHE  25           HA       PHE  25  -1.570  -5.289   3.765
  213   1HB   PHE  25          1HB       PHE  25   0.214  -4.099   5.929
  214   2HB   PHE  25          2HB       PHE  25   0.421  -5.794   5.539
  215    HD1  PHE  25           HD1      PHE  25   0.128  -2.522   3.753
  216    HD2  PHE  25           HD2      PHE  25   2.007  -6.322   3.957
  217    HE1  PHE  25           HE1      PHE  25   1.601  -1.897   1.820
  218    HE2  PHE  25           HE2      PHE  25   3.481  -5.696   2.024
  219    HZ   PHE  25           HZ       PHE  25   3.260  -3.491   0.978
  220    H    MET  26           H        MET  26  -1.150  -7.511   4.935
  221    HA   MET  26           HA       MET  26  -3.057  -7.633   7.142
  222   1HB   MET  26          1HB       MET  26  -2.569  -9.327   4.693
  223   2HB   MET  26          2HB       MET  26  -3.014 -10.193   6.150
  224   1HG   MET  26          1HG       MET  26  -5.020  -9.589   4.794
  225   2HG   MET  26          2HG       MET  26  -5.072  -8.847   6.381
  226   1HE   MET  26          1HE       MET  26  -6.742  -7.002   5.776
  227   2HE   MET  26          2HE       MET  26  -6.651  -6.006   4.304
  228   3HE   MET  26          3HE       MET  26  -6.912  -7.762   4.175
  229    H    VAL  27           H        VAL  27  -2.453  -8.688   9.037
  230    HA   VAL  27           HA       VAL  27   0.308  -9.123   9.433
  231    HB   VAL  27           HB       VAL  27  -1.349  -8.313  11.110
  232   1HG1  VAL  27          1HG1      VAL  27  -2.949 -10.328  10.378
  233   2HG1  VAL  27          2HG1      VAL  27  -2.133 -11.122  11.746
  234   3HG1  VAL  27          3HG1      VAL  27  -3.016  -9.598  12.000
  235   1HG2  VAL  27          1HG2      VAL  27   0.274 -10.765  11.871
  236   2HG2  VAL  27          2HG2      VAL  27   0.852  -9.083  11.813
  237   3HG2  VAL  27          3HG2      VAL  27  -0.373  -9.561  13.012
  238    H    ALA  28           H        ALA  28   0.652 -10.642   7.580
  239    HA   ALA  28           HA       ALA  28   0.830 -13.278   8.536
  240   1HB   ALA  28          1HB       ALA  28  -1.416 -12.641   6.596
  241   2HB   ALA  28          2HB       ALA  28  -0.706 -14.267   6.736
  242   3HB   ALA  28          3HB       ALA  28  -1.507 -13.522   8.140
  243    H    ALA  29           H        ALA  29   0.637 -11.026   5.734
  244    HA   ALA  29           HA       ALA  29   3.052 -12.344   4.698
  245   1HB   ALA  29          1HB       ALA  29   0.684 -11.215   3.150
  246   2HB   ALA  29          2HB       ALA  29   2.199 -11.800   2.421
  247   3HB   ALA  29          3HB       ALA  29   1.136 -12.931   3.293
  248    HA   PRO  30           HA       PRO  30   3.843  -7.969   5.536
  249   1HB   PRO  30          1HB       PRO  30   6.115  -8.290   7.022
  250   2HB   PRO  30          2HB       PRO  30   4.520  -8.135   7.731
  251   1HG   PRO  30          1HG       PRO  30   6.186 -10.558   7.430
  252   2HG   PRO  30          2HG       PRO  30   4.814 -10.294   8.488
  253   1HD   PRO  30          1HD       PRO  30   4.830 -11.788   6.039
  254   2HD   PRO  30          2HD       PRO  30   3.436 -11.426   7.037
  255    H    HIS  31           H        HIS  31   4.100  -8.840   3.088
  256    HA   HIS  31           HA       HIS  31   6.694  -7.775   2.426
  257   1HB   HIS  31          1HB       HIS  31   7.258 -10.102   2.659
  258   2HB   HIS  31          2HB       HIS  31   5.872 -10.598   1.707
  259    HD1  HIS  31           HD1      HIS  31   8.809  -8.192   1.065
  260    HD2  HIS  31           HD2      HIS  31   6.703 -11.316  -0.779
  261    HE1  HIS  31           HE1      HIS  31   9.895  -8.537  -1.218
  262    H    VAL  32           H        VAL  32   3.614  -9.301   1.299
  263    HA   VAL  32           HA       VAL  32   3.693  -7.516  -1.019
  264    HB   VAL  32           HB       VAL  32   1.924  -9.899  -0.435
  265   1HG1  VAL  32          1HG1      VAL  32   0.968  -8.235  -2.008
  266   2HG1  VAL  32          2HG1      VAL  32   2.410  -8.410  -3.037
  267   3HG1  VAL  32          3HG1      VAL  32   1.321  -9.796  -2.786
  268   1HG2  VAL  32          1HG2      VAL  32   4.488  -9.677  -2.041
  269   2HG2  VAL  32          2HG2      VAL  32   4.180 -10.696  -0.614
  270   3HG2  VAL  32          3HG2      VAL  32   3.359 -11.048  -2.154
  271    HA   PRO  33           HA       PRO  33   0.699  -5.074   0.959
  272   1HB   PRO  33          1HB       PRO  33   0.115  -3.385  -1.109
  273   2HB   PRO  33          2HB       PRO  33   1.495  -3.164  -0.052
  274   1HG   PRO  33          1HG       PRO  33   1.432  -4.157  -2.836
  275   2HG   PRO  33          2HG       PRO  33   2.792  -3.534  -1.923
  276   1HD   PRO  33          1HD       PRO  33   2.232  -6.286  -2.504
  277   2HD   PRO  33          2HD       PRO  33   3.525  -5.670  -1.495
  278    H    VAL  34           H        VAL  34  -1.604  -4.173   0.629
  279    HA   VAL  34           HA       VAL  34  -3.058  -6.262  -0.840
  280    HB   VAL  34           HB       VAL  34  -3.779  -4.948   1.787
  281   1HG1  VAL  34          1HG1      VAL  34  -5.229  -7.081   0.182
  282   2HG1  VAL  34          2HG1      VAL  34  -5.671  -6.537   1.819
  283   3HG1  VAL  34          3HG1      VAL  34  -5.769  -5.406   0.448
  284   1HG2  VAL  34          1HG2      VAL  34  -2.005  -7.037   1.343
  285   2HG2  VAL  34          2HG2      VAL  34  -2.837  -6.667   2.872
  286   3HG2  VAL  34          3HG2      VAL  34  -3.529  -7.862   1.748
  287    H    LYS  35           H        LYS  35  -3.329  -2.942   0.617
  288    HA   LYS  35           HA       LYS  35  -4.689  -2.150  -1.856
  289   1HB   LYS  35          1HB       LYS  35  -5.535  -1.438   0.968
  290   2HB   LYS  35          2HB       LYS  35  -6.193  -0.718  -0.487
  291   1HG   LYS  35          1HG       LYS  35  -7.519  -2.524  -0.910
  292   2HG   LYS  35          2HG       LYS  35  -6.206  -3.654  -0.649
  293   1HD   LYS  35          1HD       LYS  35  -6.535  -3.592   1.775
  294   2HD   LYS  35          2HD       LYS  35  -7.685  -2.276   1.637
  295   1HE   LYS  35          1HE       LYS  35  -9.254  -3.743   0.385
  296   2HE   LYS  35          2HE       LYS  35  -8.094  -5.056   0.432
  297   1HZ   LYS  35          1HZ       LYS  35  -9.309  -3.789   2.790
  298   2HZ   LYS  35          2HZ       LYS  35  -9.715  -5.248   2.177
  299   3HZ   LYS  35          3HZ       LYS  35  -8.235  -5.019   2.829
  300    H    ARG  36           H        ARG  36  -4.542   0.235  -2.262
  301    HA   ARG  36           HA       ARG  36  -2.495   1.555  -0.760
  302   1HB   ARG  36          1HB       ARG  36  -2.176   1.049  -3.763
  303   2HB   ARG  36          2HB       ARG  36  -1.128   2.074  -2.803
  304   1HG   ARG  36          1HG       ARG  36   0.117   0.135  -2.660
  305   2HG   ARG  36          2HG       ARG  36  -0.942  -0.162  -1.296
  306   1HD   ARG  36          1HD       ARG  36  -1.113  -2.178  -2.515
  307   2HD   ARG  36          2HD       ARG  36  -2.537  -1.303  -3.042
  308    HE   ARG  36           HE       ARG  36  -1.648  -1.416  -5.187
  309   1HH1  ARG  36          1HH1      ARG  36   1.018  -1.199  -2.901
  310   2HH1  ARG  36          2HH1      ARG  36   2.240  -1.221  -4.129
  311   1HH2  ARG  36          1HH2      ARG  36  -0.037  -1.445  -6.807
  312   2HH2  ARG  36          2HH2      ARG  36   1.636  -1.362  -6.365
  313    H    GLY  37           H        GLY  37  -2.940   3.767  -0.680
  314   1HA   GLY  37          1HA       GLY  37  -4.296   5.097  -2.846
  315   2HA   GLY  37          2HA       GLY  37  -5.311   4.845  -1.440
  316    H    CYS  38           H        CYS  38  -5.156   7.374  -1.688
  317    HA   CYS  38           HA       CYS  38  -2.726   8.350  -0.411
  318   1HB   CYS  38          1HB       CYS  38  -4.911   9.670  -2.001
  319   2HB   CYS  38          2HB       CYS  38  -3.865  10.615  -0.960
  320    H    ILE  39           H        ILE  39  -3.057   9.992   1.397
  321    HA   ILE  39           HA       ILE  39  -5.608   9.955   2.709
  322    HB   ILE  39           HB       ILE  39  -4.364   7.770   3.288
  323   1HG1  ILE  39          1HG1      ILE  39  -5.193   9.359   5.703
  324   2HG1  ILE  39          2HG1      ILE  39  -6.365   8.999   4.451
  325   1HG2  ILE  39          1HG2      ILE  39  -2.170   8.835   3.697
  326   2HG2  ILE  39          2HG2      ILE  39  -2.862   9.673   5.107
  327   3HG2  ILE  39          3HG2      ILE  39  -2.757   7.896   5.091
  328   1HD1  ILE  39          1HD1      ILE  39  -4.653   6.921   5.893
  329   2HD1  ILE  39          2HD1      ILE  39  -6.368   7.261   6.229
  330   3HD1  ILE  39          3HD1      ILE  39  -5.888   6.575   4.658
  331    H    ASP  40           H        ASP  40  -5.517  11.357   4.732
  332    HA   ASP  40           HA       ASP  40  -3.582  13.457   4.196
  333   1HB   ASP  40          1HB       ASP  40  -5.902  14.196   4.082
  334   2HB   ASP  40          2HB       ASP  40  -6.282  13.429   5.611
  335    H    VAL  41           H        VAL  41  -5.299  11.663   6.859
  336    HA   VAL  41           HA       VAL  41  -3.042  12.322   8.621
  337    HB   VAL  41           HB       VAL  41  -4.538  12.175  10.458
  338   1HG1  VAL  41          1HG1      VAL  41  -4.541  14.286   9.104
  339   2HG1  VAL  41          2HG1      VAL  41  -6.012  13.701   8.288
  340   3HG1  VAL  41          3HG1      VAL  41  -6.031  14.016  10.040
  341   1HG2  VAL  41          1HG2      VAL  41  -6.588  11.164   8.465
  342   2HG2  VAL  41          2HG2      VAL  41  -5.908  10.301   9.865
  343   3HG2  VAL  41          3HG2      VAL  41  -6.987  11.694  10.116
  344    H    CYS  42           H        CYS  42  -1.900  10.658   9.581
  345    HA   CYS  42           HA       CYS  42  -2.359   8.065   8.447
  346   1HB   CYS  42          1HB       CYS  42  -0.095   9.078   8.710
  347   2HB   CYS  42          2HB       CYS  42  -0.268   8.941  10.449
  348    HA   PRO  43           HA       PRO  43  -4.777   7.010  11.983
  349   1HB   PRO  43          1HB       PRO  43  -5.675   4.594  11.074
  350   2HB   PRO  43          2HB       PRO  43  -6.464   6.113  10.698
  351   1HG   PRO  43          1HG       PRO  43  -4.763   4.429   8.964
  352   2HG   PRO  43          2HG       PRO  43  -5.886   5.694   8.505
  353   1HD   PRO  43          1HD       PRO  43  -3.025   5.888   8.594
  354   2HD   PRO  43          2HD       PRO  43  -4.154   7.183   8.248
  355    H    LYS  44           H        LYS  44  -5.084   4.931  13.423
  356    HA   LYS  44           HA       LYS  44  -2.348   4.250  14.095
  357   1HB   LYS  44          1HB       LYS  44  -4.319   5.024  15.682
  358   2HB   LYS  44          2HB       LYS  44  -4.738   3.323  15.653
  359   1HG   LYS  44          1HG       LYS  44  -3.253   3.428  17.476
  360   2HG   LYS  44          2HG       LYS  44  -2.198   2.905  16.178
  361   1HD   LYS  44          1HD       LYS  44  -1.467   5.261  15.805
  362   2HD   LYS  44          2HD       LYS  44  -2.546   5.806  17.074
  363   1HE   LYS  44          1HE       LYS  44  -1.307   4.404  18.736
  364   2HE   LYS  44          2HE       LYS  44  -0.231   3.848  17.469
  365   1HZ   LYS  44          1HZ       LYS  44  -0.561   6.647  18.301
  366   2HZ   LYS  44          2HZ       LYS  44   0.706   5.686  18.671
  367   3HZ   LYS  44          3HZ       LYS  44   0.442   6.128  17.121
  368    H    SER  45           H        SER  45  -1.684   2.005  14.474
  369    HA   SER  45           HA       SER  45  -2.872   0.329  12.454
  370   1HB   SER  45          1HB       SER  45  -0.285   0.280  14.026
  371   2HB   SER  45          2HB       SER  45  -0.825  -1.168  13.200
  372    HG   SER  45           HG       SER  45  -0.356   1.422  11.986
  373    H    SER  46           H        SER  46  -3.058  -2.121  13.032
  374    HA   SER  46           HA       SER  46  -3.925  -2.378  15.801
  375   1HB   SER  46          1HB       SER  46  -5.965  -3.374  15.209
  376   2HB   SER  46          2HB       SER  46  -5.808  -2.113  14.002
  377    HG   SER  46           HG       SER  46  -6.410  -4.279  13.163
  378    H    LEU  47           H        LEU  47  -4.499  -5.022  16.010
  379    HA   LEU  47           HA       LEU  47  -1.932  -6.231  15.475
  380   1HB   LEU  47          1HB       LEU  47  -4.340  -7.294  16.957
  381   2HB   LEU  47          2HB       LEU  47  -2.744  -8.018  16.917
  382    HG   LEU  47           HG       LEU  47  -3.395  -5.301  18.094
  383   1HD1  LEU  47          1HD1      LEU  47  -4.411  -7.103  19.391
  384   2HD1  LEU  47          2HD1      LEU  47  -2.842  -7.939  19.481
  385   3HD1  LEU  47          3HD1      LEU  47  -3.057  -6.361  20.276
  386   1HD2  LEU  47          1HD2      LEU  47  -0.826  -6.890  17.960
  387   2HD2  LEU  47          2HD2      LEU  47  -1.146  -5.248  17.351
  388   3HD2  LEU  47          3HD2      LEU  47  -1.092  -5.552  19.104
  389    H    LEU  48           H        LEU  48  -5.068  -6.016  14.020
  390    HA   LEU  48           HA       LEU  48  -4.762  -8.562  12.657
  391   1HB   LEU  48          1HB       LEU  48  -6.940  -7.937  13.544
  392   2HB   LEU  48          2HB       LEU  48  -6.939  -6.468  12.588
  393    HG   LEU  48           HG       LEU  48  -6.874  -7.903  10.516
  394   1HD1  LEU  48          1HD1      LEU  48  -7.300 -10.112  12.541
  395   2HD1  LEU  48          2HD1      LEU  48  -7.646 -10.272  10.802
  396   3HD1  LEU  48          3HD1      LEU  48  -5.984  -9.952  11.353
  397   1HD2  LEU  48          1HD2      LEU  48  -8.933  -6.855  11.288
  398   2HD2  LEU  48          2HD2      LEU  48  -9.262  -8.460  10.594
  399   3HD2  LEU  48          3HD2      LEU  48  -9.256  -8.239  12.360
  400    H    VAL  49           H        VAL  49  -5.430  -5.134  11.634
  401    HA   VAL  49           HA       VAL  49  -3.880  -5.728   9.218
  402    HB   VAL  49           HB       VAL  49  -5.132  -4.054   8.131
  403   1HG1  VAL  49          1HG1      VAL  49  -6.302  -6.219   8.525
  404   2HG1  VAL  49          2HG1      VAL  49  -7.092  -5.496   9.947
  405   3HG1  VAL  49          3HG1      VAL  49  -7.412  -4.842   8.323
  406   1HG2  VAL  49          1HG2      VAL  49  -6.127  -3.243  10.880
  407   2HG2  VAL  49          2HG2      VAL  49  -5.135  -2.288   9.753
  408   3HG2  VAL  49          3HG2      VAL  49  -6.830  -2.654   9.354
  409    H    LYS  50           H        LYS  50  -2.385  -4.060   8.423
  410    HA   LYS  50           HA       LYS  50  -1.452  -2.307  10.586
  411   1HB   LYS  50          1HB       LYS  50  -0.079  -4.452  10.175
  412   2HB   LYS  50          2HB       LYS  50   0.416  -3.705   8.670
  413   1HG   LYS  50          1HG       LYS  50   2.097  -2.881  10.033
  414   2HG   LYS  50          2HG       LYS  50   0.919  -1.605  10.271
  415   1HD   LYS  50          1HD       LYS  50   1.449  -2.121  12.489
  416   2HD   LYS  50          2HD       LYS  50   0.042  -3.137  12.248
  417   1HE   LYS  50          1HE       LYS  50   1.574  -5.057  11.648
  418   2HE   LYS  50          2HE       LYS  50   2.954  -4.032  11.991
  419   1HZ   LYS  50          1HZ       LYS  50   2.126  -3.780  14.237
  420   2HZ   LYS  50          2HZ       LYS  50   0.850  -4.748  13.915
  421   3HZ   LYS  50          3HZ       LYS  50   2.365  -5.357  13.884
  422    H    TYR  51           H        TYR  51  -1.472  -0.201  10.021
  423    HA   TYR  51           HA       TYR  51  -1.569   0.384   7.143
  424   1HB   TYR  51          1HB       TYR  51  -2.718   1.492   9.731
  425   2HB   TYR  51          2HB       TYR  51  -2.393   2.652   8.459
  426    HD1  TYR  51           HD1      TYR  51  -3.432   2.138   6.113
  427    HD2  TYR  51           HD2      TYR  51  -4.746   0.321   9.757
  428    HE1  TYR  51           HE1      TYR  51  -5.660   1.565   5.032
  429    HE2  TYR  51           HE2      TYR  51  -6.971  -0.245   8.663
  430    HH   TYR  51           HH       TYR  51  -7.632   0.733   5.311
  431    H    VAL  52           H        VAL  52   0.511   0.794   6.476
  432    HA   VAL  52           HA       VAL  52   2.156   2.462   8.229
  433    HB   VAL  52           HB       VAL  52   2.806   0.698   5.862
  434   1HG1  VAL  52          1HG1      VAL  52   4.605   2.486   7.527
  435   2HG1  VAL  52          2HG1      VAL  52   5.199   1.180   6.473
  436   3HG1  VAL  52          3HG1      VAL  52   4.318   2.558   5.771
  437   1HG2  VAL  52          1HG2      VAL  52   3.446   0.441   8.820
  438   2HG2  VAL  52          2HG2      VAL  52   2.294  -0.550   7.894
  439   3HG2  VAL  52          3HG2      VAL  52   4.035  -0.643   7.537
  440    H    CYS  53           H        CYS  53   2.768   4.524   7.655
  441    HA   CYS  53           HA       CYS  53   1.747   5.430   5.061
  442   1HB   CYS  53          1HB       CYS  53   2.159   7.209   7.458
  443   2HB   CYS  53          2HB       CYS  53   1.276   7.552   5.984
  444    H    CYS  54           H        CYS  54   3.117   7.059   3.958
  445    HA   CYS  54           HA       CYS  54   5.754   7.454   5.050
  446   1HB   CYS  54          1HB       CYS  54   6.684   6.710   2.719
  447   2HB   CYS  54          2HB       CYS  54   6.463   5.559   4.022
  448    H    ASN  55           H        ASN  55   6.733   9.349   4.127
  449    HA   ASN  55           HA       ASN  55   4.870  10.849   2.480
  450   1HB   ASN  55          1HB       ASN  55   6.272  12.842   3.231
  451   2HB   ASN  55          2HB       ASN  55   5.470  12.004   4.544
  452   1HD2  ASN  55          2HD2      ASN  55   6.631  10.692   5.949
  453   2HD2  ASN  55          1HD2      ASN  55   8.352  10.787   6.121
  454    H    THR  56           H        THR  56   6.266   8.908   1.058
  455    HA   THR  56           HA       THR  56   8.254  10.512  -0.393
  456    HB   THR  56           HB       THR  56   9.309   8.045  -0.673
  457    HG1  THR  56           HG1      THR  56   8.123   8.124   2.001
  458   1HG2  THR  56          1HG2      THR  56   9.566   9.752   1.860
  459   2HG2  THR  56          2HG2      THR  56  10.669   8.423   1.426
  460   3HG2  THR  56          3HG2      THR  56  10.580   9.877   0.402
  461    H    ASP  57           H        ASP  57   8.402  10.114  -2.650
  462    HA   ASP  57           HA       ASP  57   5.921   9.591  -3.781
  463   1HB   ASP  57          1HB       ASP  57   8.721   9.706  -4.990
  464   2HB   ASP  57          2HB       ASP  57   7.267   9.595  -5.962
  465    H    LYS  58           H        LYS  58   5.146   7.706  -4.907
  466    HA   LYS  58           HA       LYS  58   4.875   5.498  -5.068
  467   1HB   LYS  58          1HB       LYS  58   7.635   5.826  -6.279
  468   2HB   LYS  58          2HB       LYS  58   6.626   4.408  -6.480
  469   1HG   LYS  58          1HG       LYS  58   4.823   5.837  -7.477
  470   2HG   LYS  58          2HG       LYS  58   5.843   7.249  -7.288
  471   1HD   LYS  58          1HD       LYS  58   6.885   4.840  -8.807
  472   2HD   LYS  58          2HD       LYS  58   5.796   5.960  -9.601
  473   1HE   LYS  58          1HE       LYS  58   8.262   6.971  -8.136
  474   2HE   LYS  58          2HE       LYS  58   8.380   6.381  -9.782
  475   1HZ   LYS  58          1HZ       LYS  58   6.651   7.978 -10.379
  476   2HZ   LYS  58          2HZ       LYS  58   6.645   8.563  -8.854
  477   3HZ   LYS  58          3HZ       LYS  58   7.981   8.712  -9.780
  478    H    CYS  59           H        CYS  59   5.216   5.885  -2.476
  479    HA   CYS  59           HA       CYS  59   7.431   4.190  -1.635
  480   1HB   CYS  59          1HB       CYS  59   7.129   5.053   0.556
  481   2HB   CYS  59          2HB       CYS  59   7.148   6.403  -0.561
  482    H    ASN  60           H        ASN  60   3.843   4.630  -1.453
  483    HA   ASN  60           HA       ASN  60   3.511   2.187  -0.054
  484   1HB   ASN  60          1HB       ASN  60   1.104   2.653  -0.281
  485   2HB   ASN  60          2HB       ASN  60   1.926   4.142   0.142
  486   1HD2  ASN  60          2HD2      ASN  60  -0.522   4.270  -0.954
  487   2HD2  ASN  60          1HD2      ASN  60  -0.475   4.880  -2.574
  488   1H    HOH  61          1H        HOH  61   0.727  -8.619   3.515
  489   2H    HOH  61          2H        HOH  61   0.564  -7.283   2.823
  490   1H    HOH  62          1H        HOH  62   6.357 -12.756   4.917
  491   2H    HOH  62          2H        HOH  62   7.573 -13.350   5.596
  Start of MODEL   20
    1    H    LEU   1           H        LEU   1   4.141  14.874  -5.509
    2    HA   LEU   1           HA       LEU   1   4.041  12.805  -4.509
    3   1HB   LEU   1          1HB       LEU   1   1.754  14.549  -3.645
    4   2HB   LEU   1          2HB       LEU   1   2.038  13.000  -2.877
    5    HG   LEU   1           HG       LEU   1   4.289  14.979  -3.089
    6   1HD1  LEU   1          1HD1      LEU   1   2.087  15.056  -1.008
    7   2HD1  LEU   1          2HD1      LEU   1   3.626  15.947  -0.917
    8   3HD1  LEU   1          3HD1      LEU   1   2.463  16.309  -2.216
    9   1HD2  LEU   1          1HD2      LEU   1   4.794  12.715  -2.329
   10   2HD2  LEU   1          2HD2      LEU   1   5.024  13.897  -1.018
   11   3HD2  LEU   1          3HD2      LEU   1   3.576  12.863  -1.039
   12    H    LYS   2           H        LYS   2   3.769  11.432  -6.428
   13    HA   LYS   2           HA       LYS   2   1.000  10.529  -6.763
   14   1HB   LYS   2          1HB       LYS   2   1.533   9.887  -8.950
   15   2HB   LYS   2          2HB       LYS   2   2.329  11.434  -8.746
   16   1HG   LYS   2          1HG       LYS   2   4.452  10.145  -8.097
   17   2HG   LYS   2          2HG       LYS   2   3.624   8.677  -8.575
   18   1HD   LYS   2          1HD       LYS   2   4.735   9.234 -10.562
   19   2HD   LYS   2          2HD       LYS   2   3.165   9.960 -10.839
   20   1HE   LYS   2          1HE       LYS   2   4.031  12.164 -10.042
   21   2HE   LYS   2          2HE       LYS   2   5.598  11.444  -9.733
   22   1HZ   LYS   2          1HZ       LYS   2   4.285  11.576 -12.360
   23   2HZ   LYS   2          2HZ       LYS   2   5.528  12.514 -11.867
   24   3HZ   LYS   2          3HZ       LYS   2   5.748  10.909 -12.071
   25    H    CYS   3           H        CYS   3   0.451   8.360  -6.455
   26    HA   CYS   3           HA       CYS   3   2.621   6.595  -5.648
   27   1HB   CYS   3          1HB       CYS   3   0.384   7.530  -3.924
   28   2HB   CYS   3          2HB       CYS   3   0.794   5.829  -3.841
   29    H    LYS   4           H        LYS   4   1.418   4.264  -5.245
   30    HA   LYS   4           HA       LYS   4  -0.062   3.839  -7.704
   31   1HB   LYS   4          1HB       LYS   4   1.168   1.894  -5.728
   32   2HB   LYS   4          2HB       LYS   4   0.367   1.442  -7.219
   33   1HG   LYS   4          1HG       LYS   4   2.022   2.920  -8.475
   34   2HG   LYS   4          2HG       LYS   4   2.873   3.168  -6.963
   35   1HD   LYS   4          1HD       LYS   4   3.105   0.634  -6.765
   36   2HD   LYS   4          2HD       LYS   4   2.423   0.498  -8.373
   37   1HE   LYS   4          1HE       LYS   4   4.733   0.503  -8.827
   38   2HE   LYS   4          2HE       LYS   4   4.314   2.185  -9.082
   39   1HZ   LYS   4          1HZ       LYS   4   5.406   1.078  -6.588
   40   2HZ   LYS   4          2HZ       LYS   4   6.242   1.953  -7.685
   41   3HZ   LYS   4          3HZ       LYS   4   5.030   2.648  -6.839
   42    H    LYS   5           H        LYS   5  -2.102   2.706  -7.770
   43    HA   LYS   5           HA       LYS   5  -3.682   3.292  -5.394
   44   1HB   LYS   5          1HB       LYS   5  -4.476   2.625  -8.244
   45   2HB   LYS   5          2HB       LYS   5  -5.608   2.923  -6.940
   46   1HG   LYS   5          1HG       LYS   5  -3.897   5.117  -6.746
   47   2HG   LYS   5          2HG       LYS   5  -3.955   4.846  -8.476
   48   1HD   LYS   5          1HD       LYS   5  -5.805   6.260  -8.152
   49   2HD   LYS   5          2HD       LYS   5  -6.560   4.678  -8.140
   50   1HE   LYS   5          1HE       LYS   5  -6.271   4.704  -5.570
   51   2HE   LYS   5          2HE       LYS   5  -5.838   6.395  -5.725
   52   1HZ   LYS   5          1HZ       LYS   5  -7.955   6.772  -6.805
   53   2HZ   LYS   5          2HZ       LYS   5  -8.359   5.198  -6.646
   54   3HZ   LYS   5          3HZ       LYS   5  -8.172   6.131  -5.319
   55    H    LEU   6           H        LEU   6  -5.762   1.426  -5.723
   56    HA   LEU   6           HA       LEU   6  -4.848  -0.705  -4.277
   57   1HB   LEU   6          1HB       LEU   6  -7.229  -0.483  -6.120
   58   2HB   LEU   6          2HB       LEU   6  -6.966  -1.820  -5.018
   59    HG   LEU   6           HG       LEU   6  -6.803   0.782  -3.682
   60   1HD1  LEU   6          1HD1      LEU   6  -9.409   0.018  -5.027
   61   2HD1  LEU   6          2HD1      LEU   6  -9.216   1.275  -3.782
   62   3HD1  LEU   6          3HD1      LEU   6  -8.417   1.458  -5.362
   63   1HD2  LEU   6          1HD2      LEU   6  -6.927  -1.410  -2.544
   64   2HD2  LEU   6          2HD2      LEU   6  -8.232  -0.301  -2.060
   65   3HD2  LEU   6          3HD2      LEU   6  -8.569  -1.631  -3.194
   66    H    VAL   7           H        VAL   7  -5.150  -0.357  -7.854
   67    HA   VAL   7           HA       VAL   7  -3.875  -2.974  -8.130
   68    HB   VAL   7           HB       VAL   7  -5.155  -1.192 -10.211
   69   1HG1  VAL   7          1HG1      VAL   7  -3.481  -2.830 -11.057
   70   2HG1  VAL   7          2HG1      VAL   7  -4.442  -4.141 -10.332
   71   3HG1  VAL   7          3HG1      VAL   7  -5.132  -3.149 -11.639
   72   1HG2  VAL   7          1HG2      VAL   7  -6.306  -3.493  -8.604
   73   2HG2  VAL   7          2HG2      VAL   7  -6.872  -1.806  -8.653
   74   3HG2  VAL   7          3HG2      VAL   7  -7.049  -2.846 -10.086
   75    HA   PRO   8           HA       PRO   8  -0.149  -0.924  -8.999
   76   1HB   PRO   8          1HB       PRO   8   1.344  -3.087  -9.747
   77   2HB   PRO   8          2HB       PRO   8   1.084  -2.634  -8.074
   78   1HG   PRO   8          1HG       PRO   8  -0.136  -4.849  -9.605
   79   2HG   PRO   8          2HG       PRO   8  -0.046  -4.634  -7.868
   80   1HD   PRO   8          1HD       PRO   8  -2.340  -4.198  -9.534
   81   2HD   PRO   8          2HD       PRO   8  -2.215  -3.873  -7.817
   82    H    LEU   9           H        LEU   9  -1.904  -0.240 -10.836
   83    HA   LEU   9           HA       LEU   9  -0.268  -0.486 -13.231
   84   1HB   LEU   9          1HB       LEU   9  -3.096  -1.424 -12.938
   85   2HB   LEU   9          2HB       LEU   9  -2.564  -0.743 -14.463
   86    HG   LEU   9           HG       LEU   9  -0.974  -2.953 -13.189
   87   1HD1  LEU   9          1HD1      LEU   9  -3.544  -3.288 -14.752
   88   2HD1  LEU   9          2HD1      LEU   9  -2.350  -4.584 -14.501
   89   3HD1  LEU   9          3HD1      LEU   9  -3.182  -3.858 -13.105
   90   1HD2  LEU   9          1HD2      LEU   9  -0.023  -1.785 -15.115
   91   2HD2  LEU   9          2HD2      LEU   9  -0.410  -3.477 -15.510
   92   3HD2  LEU   9          3HD2      LEU   9  -1.474  -2.166 -16.073
   93    H    PHE  10           H        PHE  10  -3.120   0.978 -11.563
   94    HA   PHE  10           HA       PHE  10  -2.693   3.391 -13.149
   95   1HB   PHE  10          1HB       PHE  10  -4.877   2.203 -11.365
   96   2HB   PHE  10          2HB       PHE  10  -4.920   3.912 -11.754
   97    HD1  PHE  10           HD1      PHE  10  -5.226   0.520 -13.116
   98    HD2  PHE  10           HD2      PHE  10  -5.485   4.668 -13.975
   99    HE1  PHE  10           HE1      PHE  10  -6.393  -0.001 -15.276
  100    HE2  PHE  10           HE2      PHE  10  -6.653   4.147 -16.136
  101    HZ   PHE  10           HZ       PHE  10  -7.093   1.819 -16.760
  102    H    SER  11           H        SER  11  -1.981   5.312 -12.260
  103    HA   SER  11           HA       SER  11  -1.540   5.236  -9.377
  104   1HB   SER  11          1HB       SER  11   0.407   6.895 -10.012
  105   2HB   SER  11          2HB       SER  11   0.649   5.168 -10.183
  106    HG   SER  11           HG       SER  11   1.343   6.347 -12.081
  107    H    LYS  12           H        LYS  12  -1.768   7.308  -8.249
  108    HA   LYS  12           HA       LYS  12  -2.931   9.454  -9.846
  109   1HB   LYS  12          1HB       LYS  12  -4.328   7.870  -7.729
  110   2HB   LYS  12          2HB       LYS  12  -4.613   9.598  -7.779
  111   1HG   LYS  12          1HG       LYS  12  -4.992   9.233 -10.360
  112   2HG   LYS  12          2HG       LYS  12  -5.159   7.539  -9.945
  113   1HD   LYS  12          1HD       LYS  12  -6.918   8.236  -8.213
  114   2HD   LYS  12          2HD       LYS  12  -6.840   9.854  -8.882
  115   1HE   LYS  12          1HE       LYS  12  -8.639   8.890 -10.074
  116   2HE   LYS  12          2HE       LYS  12  -7.302   8.713 -11.194
  117   1HZ   LYS  12          1HZ       LYS  12  -8.179   6.626  -9.319
  118   2HZ   LYS  12          2HZ       LYS  12  -8.572   6.680 -10.903
  119   3HZ   LYS  12          3HZ       LYS  12  -7.015   6.472 -10.454
  120    H    THR  13           H        THR  13  -3.039  11.532  -8.551
  121    HA   THR  13           HA       THR  13  -0.788  11.567  -6.649
  122    HB   THR  13           HB       THR  13  -1.781  13.520  -8.773
  123    HG1  THR  13           HG1      THR  13   0.366  13.059  -9.490
  124   1HG2  THR  13          1HG2      THR  13   0.278  13.972  -6.548
  125   2HG2  THR  13          2HG2      THR  13   0.069  15.024  -7.969
  126   3HG2  THR  13          3HG2      THR  13  -1.236  14.883  -6.766
  127    H    CYS  14           H        CYS  14  -1.243  11.970  -4.584
  128    HA   CYS  14           HA       CYS  14  -3.802  12.358  -3.680
  129   1HB   CYS  14          1HB       CYS  14  -1.375  13.340  -2.190
  130   2HB   CYS  14          2HB       CYS  14  -2.877  12.715  -1.538
  131    HA   PRO  15           HA       PRO  15  -4.148  16.611  -4.824
  132   1HB   PRO  15          1HB       PRO  15  -6.839  16.850  -4.409
  133   2HB   PRO  15          2HB       PRO  15  -6.148  16.279  -5.915
  134   1HG   PRO  15          1HG       PRO  15  -7.488  14.728  -3.784
  135   2HG   PRO  15          2HG       PRO  15  -7.179  14.270  -5.447
  136   1HD   PRO  15          1HD       PRO  15  -5.741  13.386  -3.128
  137   2HD   PRO  15          2HD       PRO  15  -5.361  13.020  -4.799
  138    H    ALA  16           H        ALA  16  -5.250  18.667  -3.838
  139    HA   ALA  16           HA       ALA  16  -4.002  19.200  -1.504
  140   1HB   ALA  16          1HB       ALA  16  -6.688  20.236  -2.498
  141   2HB   ALA  16          2HB       ALA  16  -5.693  21.014  -1.243
  142   3HB   ALA  16          3HB       ALA  16  -5.082  20.884  -2.910
  143    H    GLY  17           H        GLY  17  -4.245  18.731   0.648
  144   1HA   GLY  17          1HA       GLY  17  -5.793  18.375   2.479
  145   2HA   GLY  17          2HA       GLY  17  -6.730  17.330   1.431
  146    H    LYS  18           H        LYS  18  -4.631  15.860   0.144
  147    HA   LYS  18           HA       LYS  18  -3.534  14.424   2.462
  148   1HB   LYS  18          1HB       LYS  18  -4.391  13.291  -0.218
  149   2HB   LYS  18          2HB       LYS  18  -3.719  12.381   1.119
  150   1HG   LYS  18          1HG       LYS  18  -5.635  12.795   2.513
  151   2HG   LYS  18          2HG       LYS  18  -6.212  14.087   1.481
  152   1HD   LYS  18          1HD       LYS  18  -5.921  11.305   0.324
  153   2HD   LYS  18          2HD       LYS  18  -7.300  11.659   1.345
  154   1HE   LYS  18          1HE       LYS  18  -6.596  13.531  -0.938
  155   2HE   LYS  18          2HE       LYS  18  -7.473  12.050  -1.266
  156   1HZ   LYS  18          1HZ       LYS  18  -8.307  14.119   0.648
  157   2HZ   LYS  18          2HZ       LYS  18  -8.955  13.875  -0.831
  158   3HZ   LYS  18          3HZ       LYS  18  -9.126  12.742   0.332
  159    H    ASN  19           H        ASN  19  -1.357  13.815   2.423
  160    HA   ASN  19           HA       ASN  19   0.109  14.459   0.024
  161   1HB   ASN  19          1HB       ASN  19   0.560  15.732   2.759
  162   2HB   ASN  19          2HB       ASN  19   1.878  15.594   1.612
  163   1HD2  ASN  19          2HD2      ASN  19  -1.187  17.059   2.344
  164   2HD2  ASN  19          1HD2      ASN  19  -1.179  18.292   1.129
  165    H    LEU  20           H        LEU  20  -0.776  12.101   1.865
  166    HA   LEU  20           HA       LEU  20   1.910  10.978   2.175
  167   1HB   LEU  20          1HB       LEU  20  -0.334  10.832   4.191
  168   2HB   LEU  20          2HB       LEU  20   1.112   9.844   4.243
  169    HG   LEU  20           HG       LEU  20   1.186  12.869   4.301
  170   1HD1  LEU  20          1HD1      LEU  20  -0.125  12.060   6.208
  171   2HD1  LEU  20          2HD1      LEU  20   1.206  10.969   6.662
  172   3HD1  LEU  20          3HD1      LEU  20   1.441  12.732   6.722
  173   1HD2  LEU  20          1HD2      LEU  20   3.231  10.711   4.842
  174   2HD2  LEU  20          2HD2      LEU  20   3.288  12.018   3.635
  175   3HD2  LEU  20          3HD2      LEU  20   3.437  12.399   5.367
  176    H    CYS  21           H        CYS  21   1.867   8.542   2.185
  177    HA   CYS  21           HA       CYS  21  -0.383   7.633   0.541
  178   1HB   CYS  21          1HB       CYS  21   2.501   6.724   0.447
  179   2HB   CYS  21          2HB       CYS  21   1.188   6.022  -0.476
  180    H    TYR  22           H        TYR  22  -1.579   5.981   1.449
  181    HA   TYR  22           HA       TYR  22  -0.434   4.701   3.830
  182   1HB   TYR  22          1HB       TYR  22  -2.688   4.714   4.592
  183   2HB   TYR  22          2HB       TYR  22  -2.725   6.124   3.551
  184    HD1  TYR  22           HD1      TYR  22  -3.295   2.419   3.416
  185    HD2  TYR  22           HD2      TYR  22  -4.367   6.274   1.903
  186    HE1  TYR  22           HE1      TYR  22  -5.168   1.371   2.053
  187    HE2  TYR  22           HE2      TYR  22  -6.236   5.214   0.545
  188    HH   TYR  22           HH       TYR  22  -7.286   3.400   0.041
  189    H    LYS  23           H        LYS  23  -0.551   2.422   4.095
  190    HA   LYS  23           HA       LYS  23  -1.517   0.913   1.799
  191   1HB   LYS  23          1HB       LYS  23   0.473  -0.115   1.284
  192   2HB   LYS  23          2HB       LYS  23   1.025   1.505   1.659
  193   1HG   LYS  23          1HG       LYS  23   1.464   0.728   4.047
  194   2HG   LYS  23          2HG       LYS  23   1.069  -0.901   3.539
  195   1HD   LYS  23          1HD       LYS  23   2.882  -0.620   1.711
  196   2HD   LYS  23          2HD       LYS  23   3.372   0.835   2.556
  197   1HE   LYS  23          1HE       LYS  23   3.774  -0.478   4.631
  198   2HE   LYS  23          2HE       LYS  23   3.218  -1.937   3.837
  199   1HZ   LYS  23          1HZ       LYS  23   5.535  -0.335   2.998
  200   2HZ   LYS  23          2HZ       LYS  23   5.601  -1.761   3.793
  201   3HZ   LYS  23          3HZ       LYS  23   5.020  -1.702   2.268
  202    H    MET  24           H        MET  24  -2.601  -0.909   2.413
  203    HA   MET  24           HA       MET  24  -2.415  -1.536   5.254
  204   1HB   MET  24          1HB       MET  24  -4.645  -0.736   4.229
  205   2HB   MET  24          2HB       MET  24  -4.663  -2.209   3.279
  206   1HG   MET  24          1HG       MET  24  -4.176  -2.714   6.157
  207   2HG   MET  24          2HG       MET  24  -5.708  -1.917   5.861
  208   1HE   MET  24          1HE       MET  24  -7.576  -3.459   6.063
  209   2HE   MET  24          2HE       MET  24  -7.639  -2.879   4.381
  210   3HE   MET  24          3HE       MET  24  -7.951  -4.594   4.744
  211    H    PHE  25           H        PHE  25  -1.620  -3.514   5.858
  212    HA   PHE  25           HA       PHE  25  -1.698  -5.647   3.859
  213   1HB   PHE  25          1HB       PHE  25   0.689  -6.169   4.626
  214   2HB   PHE  25          2HB       PHE  25   0.558  -4.640   3.779
  215    HD1  PHE  25           HD1      PHE  25   0.470  -2.508   5.139
  216    HD2  PHE  25           HD2      PHE  25   1.481  -6.259   6.845
  217    HE1  PHE  25           HE1      PHE  25   1.519  -1.335   7.094
  218    HE2  PHE  25           HE2      PHE  25   2.531  -5.087   8.801
  219    HZ   PHE  25           HZ       PHE  25   2.537  -2.639   8.902
  220    H    MET  26           H        MET  26  -1.413  -7.836   4.820
  221    HA   MET  26           HA       MET  26  -2.686  -7.870   7.402
  222   1HB   MET  26          1HB       MET  26  -2.238  -9.777   5.106
  223   2HB   MET  26          2HB       MET  26  -2.421 -10.507   6.689
  224   1HG   MET  26          1HG       MET  26  -4.668 -10.373   6.270
  225   2HG   MET  26          2HG       MET  26  -4.499  -8.689   6.727
  226   1HE   MET  26          1HE       MET  26  -6.835  -9.623   4.927
  227   2HE   MET  26          2HE       MET  26  -6.542  -7.912   5.320
  228   3HE   MET  26          3HE       MET  26  -6.827  -8.402   3.633
  229    H    VAL  27           H        VAL  27  -1.747  -8.582   9.315
  230    HA   VAL  27           HA       VAL  27   1.063  -8.639   9.439
  231    HB   VAL  27           HB       VAL  27  -1.075  -9.442  11.422
  232   1HG1  VAL  27          1HG1      VAL  27   1.917  -9.194  11.674
  233   2HG1  VAL  27          2HG1      VAL  27   0.862  -8.862  13.068
  234   3HG1  VAL  27          3HG1      VAL  27   0.830 -10.462  12.289
  235   1HG2  VAL  27          1HG2      VAL  27   0.468  -6.850  11.064
  236   2HG2  VAL  27          2HG2      VAL  27  -1.260  -7.111  10.726
  237   3HG2  VAL  27          3HG2      VAL  27  -0.655  -7.208  12.397
  238    H    ALA  28           H        ALA  28   1.358 -10.298   7.664
  239    HA   ALA  28           HA       ALA  28   1.962 -12.796   8.870
  240   1HB   ALA  28          1HB       ALA  28  -0.355 -12.632   6.905
  241   2HB   ALA  28          2HB       ALA  28   0.491 -14.141   7.323
  242   3HB   ALA  28          3HB       ALA  28  -0.397 -13.242   8.577
  243    H    ALA  29           H        ALA  29   1.383 -10.865   5.880
  244    HA   ALA  29           HA       ALA  29   3.885 -12.007   4.838
  245   1HB   ALA  29          1HB       ALA  29   1.370 -11.157   3.344
  246   2HB   ALA  29          2HB       ALA  29   2.894 -11.663   2.576
  247   3HB   ALA  29          3HB       ALA  29   1.965 -12.821   3.558
  248    HA   PRO  30           HA       PRO  30   4.415  -7.562   5.394
  249   1HB   PRO  30          1HB       PRO  30   6.839  -7.655   6.653
  250   2HB   PRO  30          2HB       PRO  30   5.314  -7.591   7.513
  251   1HG   PRO  30          1HG       PRO  30   7.126  -9.894   7.123
  252   2HG   PRO  30          2HG       PRO  30   5.847  -9.691   8.304
  253   1HD   PRO  30          1HD       PRO  30   5.740 -11.275   5.915
  254   2HD   PRO  30          2HD       PRO  30   4.426 -10.978   7.036
  255    H    HIS  31           H        HIS  31   4.485  -8.460   2.960
  256    HA   HIS  31           HA       HIS  31   6.907  -7.239   2.005
  257   1HB   HIS  31          1HB       HIS  31   7.702  -9.492   2.258
  258   2HB   HIS  31          2HB       HIS  31   6.276 -10.152   1.482
  259    HD1  HIS  31           HD1      HIS  31   8.813  -7.472   0.389
  260    HD2  HIS  31           HD2      HIS  31   6.988 -10.981  -1.007
  261    HE1  HIS  31           HE1      HIS  31   9.704  -7.850  -1.972
  262    H    VAL  32           H        VAL  32   3.920  -9.123   1.192
  263    HA   VAL  32           HA       VAL  32   3.598  -7.409  -1.155
  264    HB   VAL  32           HB       VAL  32   2.170  -9.949  -0.343
  265   1HG1  VAL  32          1HG1      VAL  32   2.148  -8.387  -2.948
  266   2HG1  VAL  32          2HG1      VAL  32   1.389  -9.976  -2.690
  267   3HG1  VAL  32          3HG1      VAL  32   0.800  -8.553  -1.798
  268   1HG2  VAL  32          1HG2      VAL  32   4.483  -9.487  -2.252
  269   2HG2  VAL  32          2HG2      VAL  32   4.480 -10.471  -0.769
  270   3HG2  VAL  32          3HG2      VAL  32   3.526 -10.985  -2.181
  271    HA   PRO  33           HA       PRO  33   0.632  -5.225   1.178
  272   1HB   PRO  33          1HB       PRO  33   0.001  -3.353  -0.710
  273   2HB   PRO  33          2HB       PRO  33   1.370  -3.198   0.373
  274   1HG   PRO  33          1HG       PRO  33   1.349  -3.901  -2.498
  275   2HG   PRO  33          2HG       PRO  33   2.685  -3.333  -1.517
  276   1HD   PRO  33          1HD       PRO  33   2.215  -6.027  -2.381
  277   2HD   PRO  33          2HD       PRO  33   3.485  -5.478  -1.305
  278    H    VAL  34           H        VAL  34  -1.697  -4.269   0.796
  279    HA   VAL  34           HA       VAL  34  -3.077  -6.310  -0.807
  280    HB   VAL  34           HB       VAL  34  -3.986  -5.132   1.825
  281   1HG1  VAL  34          1HG1      VAL  34  -5.829  -5.791   0.356
  282   2HG1  VAL  34          2HG1      VAL  34  -5.102  -7.402   0.142
  283   3HG1  VAL  34          3HG1      VAL  34  -5.701  -6.901   1.741
  284   1HG2  VAL  34          1HG2      VAL  34  -1.948  -6.663   1.935
  285   2HG2  VAL  34          2HG2      VAL  34  -3.356  -7.140   2.913
  286   3HG2  VAL  34          3HG2      VAL  34  -3.022  -7.966   1.372
  287    H    LYS  35           H        LYS  35  -3.483  -3.095   0.848
  288    HA   LYS  35           HA       LYS  35  -4.872  -2.219  -1.588
  289   1HB   LYS  35          1HB       LYS  35  -5.541  -1.492   1.281
  290   2HB   LYS  35          2HB       LYS  35  -6.291  -0.800  -0.143
  291   1HG   LYS  35          1HG       LYS  35  -7.638  -2.614  -0.447
  292   2HG   LYS  35          2HG       LYS  35  -6.309  -3.739  -0.248
  293   1HD   LYS  35          1HD       LYS  35  -6.483  -3.617   2.194
  294   2HD   LYS  35          2HD       LYS  35  -7.655  -2.318   2.095
  295   1HE   LYS  35          1HE       LYS  35  -8.217  -4.987   0.756
  296   2HE   LYS  35          2HE       LYS  35  -8.504  -4.785   2.473
  297   1HZ   LYS  35          1HZ       LYS  35  -9.914  -2.898   1.939
  298   2HZ   LYS  35          2HZ       LYS  35  -9.670  -3.131   0.341
  299   3HZ   LYS  35          3HZ       LYS  35 -10.456  -4.261   1.221
  300    H    ARG  36           H        ARG  36  -4.597   0.068  -2.123
  301    HA   ARG  36           HA       ARG  36  -2.507   1.394  -0.665
  302   1HB   ARG  36          1HB       ARG  36  -2.292   0.826  -3.665
  303   2HB   ARG  36          2HB       ARG  36  -1.197   1.853  -2.762
  304   1HG   ARG  36          1HG       ARG  36  -0.341   0.011  -1.479
  305   2HG   ARG  36          2HG       ARG  36  -1.671  -1.035  -1.933
  306   1HD   ARG  36          1HD       ARG  36  -0.710  -1.608  -3.945
  307   2HD   ARG  36          2HD       ARG  36  -0.135   0.018  -4.253
  308    HE   ARG  36           HE       ARG  36   1.351  -1.132  -2.069
  309   1HH1  ARG  36          1HH1      ARG  36   1.012  -1.329  -5.566
  310   2HH1  ARG  36          2HH1      ARG  36   2.637  -1.872  -5.821
  311   1HH2  ARG  36          1HH2      ARG  36   3.495  -1.849  -2.405
  312   2HH2  ARG  36          2HH2      ARG  36   4.059  -2.170  -4.010
  313    H    GLY  37           H        GLY  37  -3.095   3.540  -0.459
  314   1HA   GLY  37          1HA       GLY  37  -4.435   4.893  -2.655
  315   2HA   GLY  37          2HA       GLY  37  -5.392   4.675  -1.203
  316    H    CYS  38           H        CYS  38  -5.215   7.198  -1.496
  317    HA   CYS  38           HA       CYS  38  -2.719   8.160  -0.342
  318   1HB   CYS  38          1HB       CYS  38  -4.947   9.472  -1.872
  319   2HB   CYS  38          2HB       CYS  38  -3.877  10.432  -0.869
  320    H    ILE  39           H        ILE  39  -3.050   9.980   1.373
  321    HA   ILE  39           HA       ILE  39  -5.495   9.999   2.807
  322    HB   ILE  39           HB       ILE  39  -4.391   7.742   3.360
  323   1HG1  ILE  39          1HG1      ILE  39  -4.960   9.289   5.853
  324   2HG1  ILE  39          2HG1      ILE  39  -6.212   9.227   4.628
  325   1HG2  ILE  39          1HG2      ILE  39  -2.114   8.612   3.683
  326   2HG2  ILE  39          2HG2      ILE  39  -2.678   9.550   5.086
  327   3HG2  ILE  39          3HG2      ILE  39  -2.725   7.771   5.128
  328   1HD1  ILE  39          1HD1      ILE  39  -4.803   6.775   5.782
  329   2HD1  ILE  39          2HD1      ILE  39  -6.406   7.363   6.285
  330   3HD1  ILE  39          3HD1      ILE  39  -6.158   6.763   4.627
  331    H    ASP  40           H        ASP  40  -5.339  11.467   4.726
  332    HA   ASP  40           HA       ASP  40  -3.219  13.382   4.200
  333   1HB   ASP  40          1HB       ASP  40  -4.718  14.976   5.461
  334   2HB   ASP  40          2HB       ASP  40  -5.439  14.336   3.997
  335    H    VAL  41           H        VAL  41  -5.179  11.869   6.875
  336    HA   VAL  41           HA       VAL  41  -2.912  12.362   8.677
  337    HB   VAL  41           HB       VAL  41  -5.148  13.457   9.131
  338   1HG1  VAL  41          1HG1      VAL  41  -6.488  11.422   8.453
  339   2HG1  VAL  41          2HG1      VAL  41  -5.993  10.675   9.991
  340   3HG1  VAL  41          3HG1      VAL  41  -6.962  12.168   9.998
  341   1HG2  VAL  41          1HG2      VAL  41  -3.993  11.583  11.223
  342   2HG2  VAL  41          2HG2      VAL  41  -3.444  13.236  10.858
  343   3HG2  VAL  41          3HG2      VAL  41  -5.060  12.968  11.555
  344    H    CYS  42           H        CYS  42  -1.768  10.621   9.353
  345    HA   CYS  42           HA       CYS  42  -2.420   8.073   8.376
  346   1HB   CYS  42          1HB       CYS  42  -0.125   9.047   8.957
  347   2HB   CYS  42          2HB       CYS  42  -0.493   8.645  10.623
  348    HA   PRO  43           HA       PRO  43  -5.210   7.172  11.668
  349   1HB   PRO  43          1HB       PRO  43  -6.159   4.808  10.679
  350   2HB   PRO  43          2HB       PRO  43  -6.817   6.368  10.229
  351   1HG   PRO  43          1HG       PRO  43  -5.061   4.577   8.666
  352   2HG   PRO  43          2HG       PRO  43  -6.059   5.902   8.101
  353   1HD   PRO  43          1HD       PRO  43  -3.213   5.929   8.462
  354   2HD   PRO  43          2HD       PRO  43  -4.225   7.286   8.010
  355    H    LYS  44           H        LYS  44  -5.793   5.055  13.017
  356    HA   LYS  44           HA       LYS  44  -3.208   4.313  14.062
  357   1HB   LYS  44          1HB       LYS  44  -5.189   5.023  15.470
  358   2HB   LYS  44          2HB       LYS  44  -5.955   3.505  15.049
  359   1HG   LYS  44          1HG       LYS  44  -4.207   2.211  16.108
  360   2HG   LYS  44          2HG       LYS  44  -3.155   3.606  16.244
  361   1HD   LYS  44          1HD       LYS  44  -4.095   3.260  18.434
  362   2HD   LYS  44          2HD       LYS  44  -4.896   4.673  17.777
  363   1HE   LYS  44          1HE       LYS  44  -6.866   3.340  17.152
  364   2HE   LYS  44          2HE       LYS  44  -6.056   1.853  17.600
  365   1HZ   LYS  44          1HZ       LYS  44  -6.693   4.045  19.451
  366   2HZ   LYS  44          2HZ       LYS  44  -7.511   2.636  19.333
  367   3HZ   LYS  44          3HZ       LYS  44  -5.966   2.642  19.861
  368    H    SER  45           H        SER  45  -2.610   2.038  14.463
  369    HA   SER  45           HA       SER  45  -3.486   0.445  12.206
  370   1HB   SER  45          1HB       SER  45  -1.007   0.552  13.909
  371   2HB   SER  45          2HB       SER  45  -1.421  -0.986  13.178
  372    HG   SER  45           HG       SER  45  -1.018   1.529  11.797
  373    H    SER  46           H        SER  46  -3.745  -1.983  12.605
  374    HA   SER  46           HA       SER  46  -4.819  -2.399  15.286
  375   1HB   SER  46          1HB       SER  46  -6.572  -3.802  14.326
  376   2HB   SER  46          2HB       SER  46  -6.607  -2.231  13.552
  377    HG   SER  46           HG       SER  46  -6.747  -3.749  11.896
  378    H    LEU  47           H        LEU  47  -5.196  -5.065  15.431
  379    HA   LEU  47           HA       LEU  47  -2.504  -6.079  15.172
  380   1HB   LEU  47          1HB       LEU  47  -5.009  -7.024  16.544
  381   2HB   LEU  47          2HB       LEU  47  -3.604  -8.060  16.380
  382    HG   LEU  47           HG       LEU  47  -2.274  -6.182  17.517
  383   1HD1  LEU  47          1HD1      LEU  47  -5.093  -5.225  18.046
  384   2HD1  LEU  47          2HD1      LEU  47  -3.699  -4.765  19.053
  385   3HD1  LEU  47          3HD1      LEU  47  -3.734  -4.327  17.328
  386   1HD2  LEU  47          1HD2      LEU  47  -4.400  -7.680  19.073
  387   2HD2  LEU  47          2HD2      LEU  47  -2.793  -8.290  18.611
  388   3HD2  LEU  47          3HD2      LEU  47  -2.935  -6.939  19.761
  389    H    LEU  48           H        LEU  48  -5.472  -6.079  13.390
  390    HA   LEU  48           HA       LEU  48  -4.851  -8.593  12.078
  391   1HB   LEU  48          1HB       LEU  48  -7.158  -8.026  12.753
  392   2HB   LEU  48          2HB       LEU  48  -7.130  -6.651  11.667
  393    HG   LEU  48           HG       LEU  48  -6.627  -8.382   9.805
  394   1HD1  LEU  48          1HD1      LEU  48  -7.705 -10.217  11.963
  395   2HD1  LEU  48          2HD1      LEU  48  -7.556 -10.633  10.238
  396   3HD1  LEU  48          3HD1      LEU  48  -6.099 -10.285  11.200
  397   1HD2  LEU  48          1HD2      LEU  48  -9.339  -8.255  11.153
  398   2HD2  LEU  48          2HD2      LEU  48  -8.697  -7.126   9.936
  399   3HD2  LEU  48          3HD2      LEU  48  -9.034  -8.816   9.492
  400    H    VAL  49           H        VAL  49  -5.626  -5.214  10.972
  401    HA   VAL  49           HA       VAL  49  -3.670  -5.663   8.824
  402    HB   VAL  49           HB       VAL  49  -4.991  -3.938   7.601
  403   1HG1  VAL  49          1HG1      VAL  49  -6.377  -6.507   8.428
  404   2HG1  VAL  49          2HG1      VAL  49  -6.914  -5.475   7.081
  405   3HG1  VAL  49          3HG1      VAL  49  -5.311  -6.246   7.026
  406   1HG2  VAL  49          1HG2      VAL  49  -6.047  -3.001   9.720
  407   2HG2  VAL  49          2HG2      VAL  49  -7.137  -3.233   8.332
  408   3HG2  VAL  49          3HG2      VAL  49  -7.148  -4.399   9.676
  409    H    LYS  50           H        LYS  50  -2.108  -4.061   8.417
  410    HA   LYS  50           HA       LYS  50  -1.985  -1.985  10.492
  411   1HB   LYS  50          1HB       LYS  50   0.131  -3.758   9.304
  412   2HB   LYS  50          2HB       LYS  50   0.568  -2.167   9.894
  413   1HG   LYS  50          1HG       LYS  50  -0.564  -2.739  12.099
  414   2HG   LYS  50          2HG       LYS  50  -0.823  -4.364  11.496
  415   1HD   LYS  50          1HD       LYS  50   1.658  -4.622  11.172
  416   2HD   LYS  50          2HD       LYS  50   1.898  -3.012  11.821
  417   1HE   LYS  50          1HE       LYS  50   0.507  -5.257  13.357
  418   2HE   LYS  50          2HE       LYS  50   2.216  -4.897  13.507
  419   1HZ   LYS  50          1HZ       LYS  50   1.492  -2.588  14.074
  420   2HZ   LYS  50          2HZ       LYS  50  -0.034  -3.156  14.206
  421   3HZ   LYS  50          3HZ       LYS  50   1.138  -3.727  15.189
  422    H    TYR  51           H        TYR  51  -1.872   0.120   9.835
  423    HA   TYR  51           HA       TYR  51  -1.731   0.525   6.928
  424   1HB   TYR  51          1HB       TYR  51  -2.933   2.036   9.326
  425   2HB   TYR  51          2HB       TYR  51  -2.876   2.745   7.725
  426    HD1  TYR  51           HD1      TYR  51  -4.266   1.823   5.889
  427    HD2  TYR  51           HD2      TYR  51  -4.534   0.304   9.880
  428    HE1  TYR  51           HE1      TYR  51  -6.478   0.704   5.323
  429    HE2  TYR  51           HE2      TYR  51  -6.745  -0.810   9.300
  430    HH   TYR  51           HH       TYR  51  -8.290  -1.070   7.810
  431    H    VAL  52           H        VAL  52   0.526   0.718   6.649
  432    HA   VAL  52           HA       VAL  52   1.917   2.614   8.349
  433    HB   VAL  52           HB       VAL  52   2.686   0.560   6.303
  434   1HG1  VAL  52          1HG1      VAL  52   4.414   2.841   7.302
  435   2HG1  VAL  52          2HG1      VAL  52   5.076   1.338   6.615
  436   3HG1  VAL  52          3HG1      VAL  52   4.047   2.395   5.619
  437   1HG2  VAL  52          1HG2      VAL  52   2.360   0.009   8.746
  438   2HG2  VAL  52          2HG2      VAL  52   3.963  -0.393   8.085
  439   3HG2  VAL  52          3HG2      VAL  52   3.755   1.057   9.096
  440    H    CYS  53           H        CYS  53   2.475   4.674   7.753
  441    HA   CYS  53           HA       CYS  53   1.663   5.440   5.045
  442   1HB   CYS  53          1HB       CYS  53   1.962   7.320   7.381
  443   2HB   CYS  53          2HB       CYS  53   1.177   7.615   5.842
  444    H    CYS  54           H        CYS  54   3.100   6.993   3.926
  445    HA   CYS  54           HA       CYS  54   5.711   7.346   5.130
  446   1HB   CYS  54          1HB       CYS  54   6.685   6.637   2.816
  447   2HB   CYS  54          2HB       CYS  54   6.366   5.446   4.062
  448    H    ASN  55           H        ASN  55   6.778   9.226   4.270
  449    HA   ASN  55           HA       ASN  55   4.990  10.845   2.656
  450   1HB   ASN  55          1HB       ASN  55   6.483  12.753   3.460
  451   2HB   ASN  55          2HB       ASN  55   5.633  11.921   4.747
  452   1HD2  ASN  55          2HD2      ASN  55   6.721  10.528   6.128
  453   2HD2  ASN  55          1HD2      ASN  55   8.443  10.532   6.310
  454    H    THR  56           H        THR  56   6.277   8.907   1.156
  455    HA   THR  56           HA       THR  56   8.319  10.467  -0.262
  456    HB   THR  56           HB       THR  56   9.325   7.983  -0.571
  457    HG1  THR  56           HG1      THR  56   8.123   8.069   2.098
  458   1HG2  THR  56          1HG2      THR  56   9.627   9.636   1.992
  459   2HG2  THR  56          2HG2      THR  56  10.715   8.315   1.504
  460   3HG2  THR  56          3HG2      THR  56  10.620   9.798   0.524
  461    H    ASP  57           H        ASP  57   8.406  10.155  -2.516
  462    HA   ASP  57           HA       ASP  57   5.921   9.651  -3.634
  463   1HB   ASP  57          1HB       ASP  57   8.707   9.771  -4.877
  464   2HB   ASP  57          2HB       ASP  57   7.237   9.704  -5.828
  465    H    LYS  58           H        LYS  58   5.136   7.800  -4.817
  466    HA   LYS  58           HA       LYS  58   4.849   5.590  -4.993
  467   1HB   LYS  58          1HB       LYS  58   7.591   5.882  -6.257
  468   2HB   LYS  58          2HB       LYS  58   6.493   4.541  -6.513
  469   1HG   LYS  58          1HG       LYS  58   4.792   6.060  -7.466
  470   2HG   LYS  58          2HG       LYS  58   5.790   7.454  -7.106
  471   1HD   LYS  58          1HD       LYS  58   6.164   6.983  -9.428
  472   2HD   LYS  58          2HD       LYS  58   7.602   6.419  -8.600
  473   1HE   LYS  58          1HE       LYS  58   5.525   4.329  -8.739
  474   2HE   LYS  58          2HE       LYS  58   5.978   4.906 -10.330
  475   1HZ   LYS  58          1HZ       LYS  58   7.873   3.994  -8.278
  476   2HZ   LYS  58          2HZ       LYS  58   7.393   3.122  -9.572
  477   3HZ   LYS  58          3HZ       LYS  58   8.267   4.485  -9.785
  478    H    CYS  59           H        CYS  59   5.242   5.889  -2.410
  479    HA   CYS  59           HA       CYS  59   7.496   4.198  -1.667
  480   1HB   CYS  59          1HB       CYS  59   7.164   4.965   0.584
  481   2HB   CYS  59          2HB       CYS  59   7.279   6.337  -0.501
  482    H    ASN  60           H        ASN  60   3.908   4.590  -1.399
  483    HA   ASN  60           HA       ASN  60   3.631   2.108  -0.060
  484   1HB   ASN  60          1HB       ASN  60   1.212   2.547  -0.244
  485   2HB   ASN  60          2HB       ASN  60   2.024   4.029   0.218
  486   1HD2  ASN  60          2HD2      ASN  60  -0.530   3.597  -1.124
  487   2HD2  ASN  60          1HD2      ASN  60  -0.480   4.459  -2.625
  488   1H    HOH  61          1H        HOH  61   0.607  -8.139   3.482
  489   2H    HOH  61          2H        HOH  61   0.044  -6.988   2.678
  490   1H    HOH  62          1H        HOH  62   4.967 -13.687   7.307
  491   2H    HOH  62          2H        HOH  62   5.889 -13.739   8.506