*HEADER    HYDROLASE                               06-MAR-03   1OPZ              
*TITLE     A CORE MUTATION AFFECTING THE FOLDING PROPERTIES OF A                 
*TITLE    2 SOLUBLE DOMAIN OF THE ATPASE PROTEIN COPA FROM BACILLUS              
*TITLE    3 SUBTILIS                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POTENTIAL COPPER-TRANSPORTING ATPASE;                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: THE FIRST N-TERMINAL WATER SOLUBLE DOMAIN OF               
*COMPND   5 COPA;                                                                
*COMPND   6 EC: 3.6.3.4;                                                         
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: YVGX;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: PLYSS;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
*KEYWDS    MUTATION, FOLDING, ABBAB FOLD                                         
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    L.BANCI, I.BERTINI, S.CIOFI-BAFFONI, L.GONNELI, X.C.SU                
*REVDAT   1   16-MAR-04 1OPZ    0                                                


  3 SER  
         HA      4 GLU  HN      3.40
         HA     53 ALA  QB      7.00
         QB      5 GLN  HN      7.00
         QB     53 ALA  HN      7.00
  4 GLU  
         HN      4 GLU  HB2     4.10
         HN      4 GLU  HB3     3.70
         HN      4 GLU  HG2     4.50
         HN      4 GLU  HG3     4.50
         HN      5 GLN  HN      4.20
         HN     52 PRO  QD      6.88
         HN     53 ALA  HN      5.90
         HA      5 GLN  HN      2.90
         HB2     5 GLN  HN      4.40
         HB3     5 GLN  HN      4.70
         HG2     5 GLN  HN      5.90
         HG2    52 PRO  HD2     7.75
         HG2    52 PRO  HD3     7.75
         HG3     5 GLN  HN      5.90
         HG3    52 PRO  HD2     7.75
         HG3    52 PRO  HD3     7.75
         QG     52 PRO  QD      6.82
  5 GLN  
         HN      5 GLN  HB3     3.50
         HN      5 GLN  HG2     4.20
         HN      5 GLN  HG3     4.20
         HN      6 LYS  HN      5.40
         HN     51 ASP  HA      6.00
         HN     52 PRO  HD2     6.00
         HN     52 PRO  HD3     6.00
         HA      5 GLN  HE21    5.40
         HA      5 GLN  HE22    5.80
         HA      6 LYS  HN      3.20
         HA     49 ILE  QG2     7.00
         HA     50 TYR  HN      5.20
         HA     51 ASP  HN      6.00
         HA     51 ASP  HA      3.30
         HA     52 PRO  HD2     6.00
         HA     52 PRO  HD3     6.00
         HB2     5 GLN  HE21    5.90
         HB2     6 LYS  HN      3.80
         HB2    50 TYR  HN      6.00
         HB2    51 ASP  HB2     6.00
         HB3     5 GLN  HE21    6.00
         HB3     6 LYS  HN      4.40
         HB3    50 TYR  HN      6.00
         HB3    51 ASP  HB2     6.00
         HG2     6 LYS  HN      6.00
         HG3     6 LYS  HN      6.00
         HE21   35 THR  HB      6.00
         HE21   35 THR  QG2     7.00
         HE21   49 ILE  QG2     7.00
         HE21   49 ILE  QD1     7.00
         HE21   51 ASP  HA      6.00
         HE21   51 ASP  HB2     6.00
         HE21   51 ASP  HB3     6.00
         HE22    6 LYS  HN      6.00
         HE22   35 THR  HB      6.00
         HE22   35 THR  QG2     7.00
         HE22   49 ILE  QG2     7.00
         HE22   49 ILE  QD1     7.00
         HE22   51 ASP  HA      6.00
         HE22   51 ASP  HB2     6.00
         HE22   51 ASP  HB3     6.00
  6 LYS  
         HN      6 LYS  HB2     3.50
         HN      6 LYS  HB3     4.20
         HN      6 LYS  HG2     4.60
         HN      6 LYS  HG3     4.80
         HN      6 LYS  QD      6.30
         HN      7 GLU  HN      4.70
         HN     50 TYR  HN      3.40
         HN     50 TYR  HA      6.00
         HN     50 TYR  HB3     6.00
         HN     51 ASP  HA      4.10
         HN     52 PRO  HD2     5.60
         HN     52 PRO  HD3     5.60
         HN     52 PRO  QD      5.28
         HA      6 LYS  HB2     3.00
         HA      6 LYS  HG2     3.80
         HA      6 LYS  QD      5.50
         HA      7 GLU  HN      2.90
         HA     50 TYR  QD      8.00
         HA     50 TYR  QE      8.00
         HB2     7 GLU  HN      4.00
         HB2    50 TYR  QD      8.00
         HB2    50 TYR  QE      8.00
         HB3     6 LYS  HG2     3.00
         HB3     7 GLU  HN      3.70
         HB3    50 TYR  HN      6.00
         HB3    50 TYR  QD      8.00
         HB3    50 TYR  QE      8.00
         HG2     7 GLU  HN      5.80
         HG3     7 GLU  HN      6.00
         QD      7 GLU  HN      7.00
         QD     50 TYR  QE      9.00
  7 GLU  
         HN      7 GLU  HB2     4.00
         HN      7 GLU  HB3     4.00
         HN      7 GLU  QG      5.60
         HN      8 ILE  HN      4.90
         HN     49 ILE  HA      6.00
         HN     50 TYR  HN      6.00
         HA      7 GLU  HB2     2.90
         HA      7 GLU  HB3     2.90
         HA      8 ILE  HN      2.80
         HA     49 ILE  HA      2.60
         HA     49 ILE  HB      6.00
         HA     49 ILE  QG2     7.00
         HA     49 ILE  QG1     7.00
         HA     50 TYR  HN      3.80
         HA     50 TYR  QD      8.00
         HA     50 TYR  QE      8.00
         HB2     8 ILE  HN      4.70
         HB3     8 ILE  HN      4.70
         QB      8 ILE  HN      4.47
         QB     48 VAL  HN      6.88
         QB     49 ILE  QG1     7.88
         QB     49 ILE  QD1     7.88
         QG      8 ILE  HN      6.60
         QG     47 ASN  HD21    7.00
         QG     47 ASN  HD22    7.00
         QG     49 ILE  QG1     8.00
         QG     49 ILE  QD1     8.00
         QG     50 TYR  HN      7.00
  8 ILE  
         HN      8 ILE  QG2     4.40
         HN      8 ILE  QG1     5.90
         HN      8 ILE  QD1     4.90
         HN      9 ALA  HN      5.10
         HN     47 ASN  QB      7.00
         HN     48 VAL  HN      3.10
         HN     49 ILE  HA      3.90
         HN     49 ILE  QG2     6.90
         HN     50 TYR  QD      8.00
         HN     50 TYR  QE      8.00
         HA      9 ALA  HN      2.80
         HB      9 ALA  HN      4.20
         HB     48 VAL  QG1     7.00
         HB     48 VAL  QG2     7.00
         HB     50 TYR  QD      8.00
         HB     50 TYR  QE      8.00
         QG2     9 ALA  HN      4.80
         QG2     9 ALA  HA      7.00
         QG2    48 VAL  HN      5.60
         QG2    48 VAL  QG1     7.20
         QG2    48 VAL  QG2     7.90
         QG2    50 TYR  QD      9.00
         QG2    50 TYR  QE      9.00
         QG2    57 THR  HB      7.00
         QG2    73 ILE  QD1     8.00
         QG1     9 ALA  HN      6.40
         QG1    10 MET  HN      7.00
         QG1    48 VAL  HN      7.00
         QG1    50 TYR  QD      9.00
         QG1    50 TYR  QE      9.00
         QD1     9 ALA  HN      5.30
         QD1    50 TYR  QD      9.00
         QD1    50 TYR  QE      9.00
         QD1    60 ILE  QD1     8.00
         QD1    73 ILE  QG2     8.00
  9 ALA  
         HN      9 ALA  QB      3.60
         HN     10 MET  HN      5.20
         HN     10 MET  HG2     6.00
         HA     10 MET  HN      2.90
         HA     45 THR  QG2     7.00
         HA     46 VAL  HN      5.40
         HA     47 ASN  HN      6.00
         HA     47 ASN  HA      2.40
         HA     47 ASN  QB      7.00
         HA     48 VAL  HN      3.90
         QB     46 VAL  HN      7.00
         QB     47 ASN  HA      7.00
         QB     47 ASN  QB      8.00
         QB     47 ASN  HD21    7.00
         QB     47 ASN  HD22    7.00
         QB     48 VAL  HN      6.00
 10 MET  
         HN     10 MET  HB3     3.60
         HN     10 MET  HG2     4.10
         HN     10 MET  HG3     4.30
         HN     11 GLN  HA      6.00
         HN     45 THR  HA      5.20
         HN     45 THR  HB      6.00
         HN     45 THR  QG2     5.10
         HN     46 VAL  HN      3.30
         HN     46 VAL  QG1     6.60
         HN     46 VAL  QG2     6.60
         HN     46 VAL  QQG     5.47
         HN     47 ASN  HA      3.60
         HN     73 ILE  QD1     6.80
         HA     10 MET  HG3     4.20
         HA     11 GLN  HN      2.80
         HA     73 ILE  HA      4.60
         HB2    11 GLN  HN      3.60
         HB2    11 GLN  HE21    6.00
         HB2    11 GLN  HE22    6.00
         HB2    46 VAL  HN      6.00
         HB2    73 ILE  QG2     7.00
         HB3    11 GLN  HN      4.30
         HB3    73 ILE  QG2     7.00
         HG2    11 GLN  HN      5.90
         HG2    46 VAL  HN      6.00
         HG2    71 VAL  QG1     7.00
         HG2    71 VAL  QG2     7.00
         HG3    11 GLN  HN      5.40
         HG3    11 GLN  HE21    5.60
         HG3    11 GLN  HE22    5.60
         HG3    46 VAL  HN      6.00
 11 GLN  
         HN     11 GLN  QG      5.60
         HN     12 VAL  HN      4.80
         HN     45 THR  QG2     7.00
         HN     71 VAL  QG1     7.00
         HN     71 VAL  QG2     7.00
         HN     72 VAL  HN      4.30
         HN     72 VAL  HA      6.00
         HN     72 VAL  QG1     7.00
         HN     72 VAL  QG2     6.30
         HN     73 ILE  HA      5.50
         HA     11 GLN  HE21    5.80
         HA     11 GLN  HE22    5.70
         HA     12 VAL  HN      2.90
         HA     45 THR  HA      2.90
         HA     45 THR  QG2     7.00
         HA     46 VAL  HN      4.00
         QB     11 GLN  HE21    5.80
         QB     13 SER  HN      7.00
         QB     45 THR  HB      7.00
         QB     46 VAL  HN      7.00
         QB     72 VAL  HN      7.00
         QB     72 VAL  QG1     8.00
         QG     12 VAL  HN      7.00
         QG     45 THR  HA      7.00
         QG     72 VAL  HB      7.00
         HE21   45 THR  QG2     7.00
         HE21   72 VAL  HN      6.00
         HE21   72 VAL  QG1     7.00
         HE22   45 THR  QG2     6.90
         HE22   72 VAL  HN      6.00
         HE22   72 VAL  QG1     7.00
 12 VAL  
         HN     12 VAL  HB      3.40
         HN     12 VAL  QG1     4.90
         HN     13 SER  HN      4.70
         HN     44 GLU  HA      6.00
         HN     44 GLU  QB      5.98
         HN     45 THR  HN      6.00
         HN     45 THR  HA      3.60
         HN     45 THR  QG2     7.00
         HN     46 VAL  HN      4.70
         HN     46 VAL  QQG     8.16
         HA     13 SER  HN      2.90
         HA     71 VAL  HA      2.70
         HA     71 VAL  HB      6.00
         HA     71 VAL  QG1     7.00
         HA     71 VAL  QG2     7.00
         HA     72 VAL  HN      3.60
         HB     13 SER  HN      4.40
         HB     15 MET  HG2     6.00
         HB     70 HID  HN      6.00
         QG1    13 SER  HN      4.50
         QG1    14 GLY  HN      7.00
         QG1    24 ILE  QD1     8.00
         QG1    45 THR  HA      7.00
         QG1    46 VAL  HN      6.90
         QG1    69 TYR  HB2     7.00
         QG1    69 TYR  HB3     7.00
         QG1    70 HID  HN      4.40
         QG1    71 VAL  HA      7.00
         QG1    71 VAL  HB      7.00
         QG1    71 VAL  QG1     8.00
         QG1    71 VAL  QG2     8.00
         QG2    13 SER  HN      5.70
         QG2    15 MET  HG2     7.00
         QG2    24 ILE  QG2     8.00
         QG2    69 TYR  QD      9.00
         QG2    69 TYR  QE      9.00
         QG2    71 VAL  HB      7.00
         QG2    71 VAL  QG1     7.90
         QG2    72 VAL  HN      5.10
 13 SER  
         HN     14 GLY  HN      5.20
         HN     69 TYR  HA      5.70
         HN     69 TYR  HB2     6.00
         HN     69 TYR  QD      8.00
         HN     70 HID  HN      3.60
         HN     70 HID  HB2     6.00
         HN     70 HID  HB3     6.00
         HN     71 VAL  HA      4.00
         HN     72 VAL  HN      5.10
         HA     14 GLY  HN      3.00
         HB2    14 GLY  HN      4.60
         HB2    70 HID  HN      6.00
         HB2    70 HID  HB2     6.00
         HB2    70 HID  HB3     6.00
         HB2    70 HID  HD2     6.00
         HB2    71 VAL  HN      6.00
         HB3    14 GLY  HN      4.60
         HB3    70 HID  HN      6.00
         HB3    70 HID  HB2     6.00
         HB3    70 HID  HB3     6.00
         HB3    70 HID  HD2     6.00
         HB3    71 VAL  HN      6.00
         QB     14 GLY  HN      4.32
         QB     15 MET  HN      6.88
         QB     72 VAL  QG1     7.88
         QB     72 VAL  QG2     7.88
 14 GLY  
         HN     15 MET  HN      3.50
         HN     15 MET  QG      7.00
         HN     69 TYR  QD      8.00
         QA     69 TYR  HA      5.58
         QA     69 TYR  HB3     6.88
         QA     69 TYR  QD      8.88
         QA     69 TYR  QE      8.88
         QA     70 HID  HN      6.88
 15 MET  
         HN     15 MET  HB2     3.70
         HN     15 MET  HB3     3.70
         HN     15 MET  HG2     4.00
         HN     15 MET  HG3     5.20
         HN     16 THR  HN      5.20
         HN     16 THR  QG2     7.00
         HN     17 CYS  HN      6.00
         HN     24 ILE  QD1     7.00
         HN     41 LEU  QD1     7.00
         HN     41 LEU  QD2     7.00
         HN     69 TYR  QD      8.00
         HA     20 CYS  HB2     6.00
         HA     20 CYS  HB3     6.00
         HA     69 TYR  QD      8.00
         HA     69 TYR  QE      8.00
         HB2    17 CYS  HN      6.00
         HB2    41 LEU  QD2     7.00
         HB3    17 CYS  HN      6.00
         HB3    41 LEU  QD2     7.00
         QB     17 CYS  HN      5.23
         QB     20 CYS  HB2     6.88
         QB     20 CYS  HB3     6.88
         QB     24 ILE  QD1     7.88
         QB     41 LEU  QD1     7.88
         QB     44 GLU  QB      7.35
         QB     44 GLU  QG      7.88
         QB     69 TYR  QD      8.88
         QB     69 TYR  QE      8.88
         HG2    17 CYS  HB2     6.00
         HG2    21 ALA  HN      6.00
         HG2    24 ILE  QD1     7.00
         HG2    41 LEU  QD1     7.00
         HG2    69 TYR  QD      8.00
         HG2    69 TYR  QE      8.00
         HG3    17 CYS  HB2     6.00
         HG3    21 ALA  QB      7.00
         HG3    24 ILE  QD1     7.00
         HG3    44 GLU  HN      5.80
 16 THR  
         HN     17 CYS  HN      3.60
         HN     20 CYS  HN      6.00
         HN     20 CYS  HB2     6.00
         HN     20 CYS  HB3     6.00
         HN     69 TYR  QE      8.00
         HB     17 CYS  HN      5.50
         QG2    17 CYS  HN      6.30
 17 CYS  
         HN     20 CYS  HN      4.60
         HN     20 CYS  HB2     4.40
         HN     20 CYS  HB3     5.00
         HN     41 LEU  QD1     7.00
         HN     41 LEU  QD2     7.00
         HN     69 TYR  QE      8.00
         HB3    20 CYS  HB2     6.00
 19 ALA  
         HN     20 CYS  HN      3.90
         HA     21 ALA  HN      5.50
         HA     22 ALA  HN      4.40
         HA     22 ALA  QB      3.70
         QB     22 ALA  QB      8.00
         QB     23 ARG  QB      8.00
         QB     23 ARG  QD      8.00
 20 CYS  
         HN     20 CYS  HB2     3.70
         HN     21 ALA  HN      3.40
         HN     21 ALA  HA      6.00
         HN     22 ALA  HN      5.30
         HN     22 ALA  QB      5.00
         HN     23 ARG  QB      7.00
         HN     41 LEU  QD1     7.00
         HN     41 LEU  QD2     7.00
         HA     20 CYS  HB3     3.00
         HA     22 ALA  HN      5.70
         HA     22 ALA  QB      6.10
         HA     23 ARG  HN      4.10
         HA     23 ARG  QB      5.20
         HA     23 ARG  QG      6.88
         HA     24 ILE  HN      5.50
         HA     69 TYR  QE      8.00
         HB2    21 ALA  HN      3.70
         HB2    21 ALA  HA      4.70
         HB2    22 ALA  HN      6.00
         HB2    24 ILE  QD1     7.00
         HB2    69 TYR  QD      8.00
         HB2    69 TYR  QE      8.00
         HB3    21 ALA  HN      4.30
         HB3    23 ARG  QB      7.00
         HB3    24 ILE  QD1     7.00
         HB3    69 TYR  QD      8.00
         HB3    69 TYR  QE      8.00
 21 ALA  
         HN     21 ALA  QB      3.40
         HN     22 ALA  HN      3.50
         HN     23 ARG  HN      5.30
         HN     23 ARG  QG      6.88
         HN     24 ILE  HN      6.00
         HN     24 ILE  QG1     6.88
         HN     24 ILE  QD1     7.00
         HN     41 LEU  QD1     6.50
         HN     41 LEU  QD2     5.90
         HA     23 ARG  HN      5.70
         HA     24 ILE  HN      4.50
         HA     24 ILE  HB      4.70
         HA     24 ILE  HG12    6.00
         HA     24 ILE  HG13    6.00
         HA     24 ILE  QD1     7.00
         HA     25 GLU  HN      5.20
         HA     39 VAL  QG2     7.00
         QB     39 VAL  QG1     8.00
         QB     39 VAL  QG2     8.00
         QB     41 LEU  QD1     8.00
         QB     41 LEU  QD2     8.00
         QB     46 VAL  QQG     9.56
 22 ALA  
         HN     23 ARG  HN      3.30
         HN     23 ARG  QB      7.00
         HN     23 ARG  QG      6.88
         HN     24 ILE  HB      5.40
         HN     26 LYS  HN      6.00
         HN     39 VAL  QG1     7.00
         HN     41 LEU  QD2     7.00
         HA     24 ILE  HN      6.00
         HA     25 GLU  HN      4.00
         HA     25 GLU  HB2     3.70
         HA     25 GLU  HB3     4.30
         HA     25 GLU  QG      7.00
         HA     26 LYS  HN      4.50
         HA     39 VAL  HB      6.00
         QB     25 GLU  HN      5.80
         QB     26 LYS  HB2     7.00
 23 ARG  
         HN     23 ARG  HG2     4.00
         HN     23 ARG  HG3     4.00
         HN     23 ARG  QG      3.80
         HN     23 ARG  QD      7.00
         HN     24 ILE  HN      3.70
         HN     24 ILE  HA      5.90
         HN     26 LYS  HN      5.30
         HA     23 ARG  HG2     4.10
         HA     23 ARG  HG3     4.10
         HA     23 ARG  QG      3.81
         HA     23 ARG  QD      6.20
         HA     26 LYS  HN      4.70
         HA     26 LYS  HB2     4.30
         HA     26 LYS  HB3     4.10
         HA     27 GLY  HN      5.00
         HA     27 GLY  HA2     5.80
         QB     27 GLY  HN      7.00
         HG2    24 ILE  HN      6.00
         HG3    24 ILE  HN      6.00
         QG     24 ILE  HN      5.79
         QG     69 TYR  QE      8.88
         QD     24 ILE  HN      7.00
 24 ILE  
         HN     24 ILE  HB      3.10
         HN     24 ILE  HG12    5.70
         HN     24 ILE  HG13    5.70
         HN     24 ILE  QG1     5.15
         HN     24 ILE  QD1     4.80
         HN     25 GLU  HN      3.30
         HN     46 VAL  QQG     8.56
         HN     67 LEU  QQD     7.77
         HA     24 ILE  QG1     3.71
         HA     26 LYS  HN      5.10
         HA     27 GLY  HN      4.10
         HA     28 LEU  HN      6.00
         HA     67 LEU  HB3     6.00
         HA     67 LEU  QD1     7.00
         HA     67 LEU  QD2     7.00
         HA     69 TYR  QD      8.00
         HA     69 TYR  QE      8.00
         HB     25 GLU  HN      3.70
         HB     64 ILE  QG2     7.00
         HB     64 ILE  QD1     7.00
         HB     67 LEU  HB2     6.00
         HB     67 LEU  HG      6.00
         QG2    25 GLU  HN      7.00
         QG2    64 ILE  QG2     8.00
         QG2    67 LEU  HB3     6.20
         QG2    67 LEU  QQD     9.57
         QG2    69 TYR  QD      9.00
         QG2    69 TYR  QE      9.00
         HG12   25 GLU  HN      5.90
         HG13   25 GLU  HN      5.90
         QG1    25 GLU  HN      5.40
         QG1    25 GLU  HA      6.88
         QG1    26 LYS  HN      6.88
         QG1    64 ILE  QG2     7.88
         QG1    67 LEU  HB3     6.88
         QG1    69 TYR  QD      8.88
         QG1    69 TYR  QE      8.88
         QD1    25 GLU  HN      7.00
         QD1    64 ILE  QG2     8.00
         QD1    64 ILE  QD1     8.00
         QD1    67 LEU  HB3     7.00
         QD1    69 TYR  HB2     7.00
         QD1    69 TYR  HB3     7.00
         QD1    69 TYR  QD      9.00
         QD1    69 TYR  QE      9.00
 25 GLU  
         HN     25 GLU  HB2     3.20
         HN     25 GLU  HB3     3.40
         HN     25 GLU  QG      4.80
         HN     26 LYS  HN      2.80
         HN     28 LEU  HG      6.00
         HN     64 ILE  QD1     7.00
         HA     25 GLU  HB2     2.90
         HA     25 GLU  HB3     3.00
         HA     28 LEU  HN      4.50
         HA     28 LEU  HB2     3.60
         HA     28 LEU  HB3     6.00
         HA     28 LEU  HG      5.90
         HA     28 LEU  QD1     7.00
         HA     29 LYS  HN      5.20
         HA     64 ILE  QG2     7.00
         HA     64 ILE  QD1     7.00
         HB2    26 LYS  HN      3.60
         HB2    39 VAL  HN      6.00
         HB2    48 VAL  QG1     7.00
         HB3    26 LYS  HN      3.70
         HB3    28 LEU  HN      4.90
         HB3    46 VAL  QG1     7.00
         HB3    46 VAL  QG2     7.00
         QG     26 LYS  HN      7.00
         QG     48 VAL  HB      7.00
         QG     48 VAL  QG2     8.00
         QG     64 ILE  QG1     7.88
 26 LYS  
         HN     26 LYS  HB2     3.50
         HN     26 LYS  HB3     3.40
         HN     26 LYS  QG      5.70
         HN     26 LYS  HD2     5.20
         HN     26 LYS  HD3     4.70
         HN     26 LYS  QE      6.88
         HN     27 GLY  HN      3.40
         HN     28 LEU  HN      6.00
         HN     67 LEU  QQD     8.57
         HA     26 LYS  HD2     4.60
         HA     26 LYS  HD3     4.30
         HA     26 LYS  HE2     6.00
         HA     26 LYS  HE3     6.00
         HA     29 LYS  HN      5.00
         HA     29 LYS  HB2     4.30
         HA     29 LYS  HB3     3.80
         HB2    26 LYS  HD2     4.20
         HB2    26 LYS  HD3     3.90
         HB2    27 GLY  HN      4.70
         HB2    37 ALA  QB      7.00
         HB3    27 GLY  HN      4.20
         HB3    37 ALA  QB      7.00
         QG     27 GLY  HN      7.00
         QG     39 VAL  HN      7.00
         HD2    27 GLY  HN      5.70
         HD3    27 GLY  HN      6.00
         HD3    30 ARG  HN      6.00
         HD3    37 ALA  QB      7.00
         HE2    29 LYS  HE2     7.15
         HE2    29 LYS  HE3     7.15
         HE3    29 LYS  HE2     7.15
         HE3    29 LYS  HE3     7.15
         QE     29 LYS  QE      6.16
 27 GLY  
         HN     28 LEU  HN      3.40
         HN     28 LEU  QD2     7.00
         HN     29 LYS  HN      5.20
         HN     29 LYS  HB3     5.10
         HN     30 ARG  HN      6.00
         HN     30 ARG  QD      7.00
         HN     67 LEU  QQD     6.47
         HA1    29 LYS  HN      6.00
         HA1    30 ARG  HN      4.70
         HA1    30 ARG  HB2     3.70
         HA1    30 ARG  HB3     5.20
         HA1    67 LEU  QD1     7.00
         HA1    67 LEU  QD2     7.00
         HA2    30 ARG  HN      5.70
         HA2    30 ARG  HB2     5.30
         HA2    30 ARG  HB3     6.00
         HA2    67 LEU  HB3     6.00
         HA2    67 LEU  QQD     8.57
 28 LEU  
         HN     28 LEU  HB2     2.80
         HN     28 LEU  HB3     3.70
         HN     28 LEU  HG      4.60
         HN     28 LEU  QD1     4.20
         HN     28 LEU  QD2     4.30
         HN     29 LYS  HN      3.40
         HN     30 ARG  HN      4.90
         HN     63 LYS  QG      6.88
         HA     28 LEU  HB2     3.00
         HA     28 LEU  HB3     3.00
         HA     28 LEU  QD1     6.80
         HA     28 LEU  QD2     4.20
         HA     30 ARG  HN      5.10
         HA     31 MET  HN      4.00
         HA     31 MET  HB2     5.00
         HA     31 MET  QE      7.00
         HA     34 VAL  QG1     7.00
         HB2    29 LYS  HN      3.90
         HB2    29 LYS  QE      6.88
         HB2    34 VAL  QG2     7.00
         HB3    28 LEU  HG      3.00
         HB3    29 LYS  HN      4.50
         HB3    30 ARG  HN      6.00
         HB3    31 MET  HN      6.00
         HB3    34 VAL  QG1     7.00
         HB3    34 VAL  QG2     7.00
         HB3    60 ILE  QD1     7.00
         HG     29 LYS  HN      6.00
         HG     30 ARG  HN      6.00
         HG     31 MET  HN      6.00
         HG     64 ILE  HB      6.00
         QD1    29 LYS  HN      7.00
         QD1    48 VAL  QG2     8.00
         QD1    63 LYS  QB      7.88
         QD1    63 LYS  QG      7.88
         QD1    64 ILE  HA      7.00
         QD1    64 ILE  HB      7.00
         QD2    29 LYS  HN      7.00
         QD2    59 ALA  HN      7.00
         QD2    63 LYS  HN      7.00
         QD2    63 LYS  HB2     7.00
         QD2    63 LYS  HB3     7.00
 29 LYS  
         HN     29 LYS  HB2     3.80
         HN     29 LYS  HB3     3.70
         HN     29 LYS  HE2     6.00
         HN     29 LYS  HE3     6.00
         HN     29 LYS  QE      5.64
         HN     30 ARG  HN      3.50
         HN     31 MET  HN      4.30
         HN     34 VAL  QG2     6.10
         HA     29 LYS  QD      5.10
         HA     29 LYS  QE      5.88
         HA     31 MET  HN      4.40
         HA     34 VAL  HB      6.00
         HA     34 VAL  QG1     7.00
         HA     37 ALA  HN      6.00
         HB2    29 LYS  HE2     5.00
         HB2    29 LYS  HE3     5.00
         HB2    29 LYS  QE      4.68
         HB2    30 ARG  HN      4.50
         HB2    37 ALA  HN      6.00
         HB2    37 ALA  QB      7.00
         HB3    29 LYS  QD      3.90
         HB3    29 LYS  HE2     4.60
         HB3    29 LYS  HE3     4.60
         HB3    29 LYS  QE      3.99
         HB3    30 ARG  HN      3.80
         HB3    37 ALA  HN      5.40
         HB3    37 ALA  QB      7.00
         QE     36 ASP  HA      6.88
         QE     37 ALA  HN      5.68
 30 ARG  
         HN     30 ARG  HB2     3.70
         HN     30 ARG  HB3     3.70
         HN     30 ARG  QG      5.00
         HN     30 ARG  QD      6.80
         HN     31 MET  HN      3.30
         HN     31 MET  HA      6.00
         HN     31 MET  QG      6.88
         HN     34 VAL  QG1     7.00
         HN     34 VAL  QG2     7.00
         HA     30 ARG  HB3     3.00
         HA     30 ARG  QD      6.30
         HB2    31 MET  HN      4.30
         HB3    31 MET  HN      4.50
         QG     31 MET  HN      7.00
         QD     31 MET  HN      7.00
 31 MET  
         HN     31 MET  HB2     3.70
         HN     31 MET  HB3     4.00
         HN     31 MET  HG2     4.60
         HN     31 MET  HG3     4.60
         HN     31 MET  QG      4.27
         HN     32 PRO  HD2     6.00
         HN     32 PRO  HD3     6.00
         HN     34 VAL  HN      4.90
         HN     34 VAL  HB      4.40
         HN     34 VAL  QG1     6.20
         HN     34 VAL  QG2     7.00
         HA     34 VAL  HN      6.00
         HB2    34 VAL  HN      4.80
         HB3    34 VAL  HN      4.70
         HG2    32 PRO  HD3     6.00
         HG2    60 ILE  QD1     7.00
         HG3    32 PRO  HD3     6.00
         HG3    60 ILE  QD1     7.00
         QG     34 VAL  HN      6.88
         QG     34 VAL  QG2     7.88
         QG     55 THR  QG2     7.88
         QG     63 LYS  QG      7.75
         QG     63 LYS  QD      7.88
         QE     60 ILE  HA      7.00
 32 PRO  
         HA     33 GLY  HN      3.20
         HB2    33 GLY  HN      4.20
         HD2    63 LYS  QG      6.88
         HD2    63 LYS  QD      7.00
 33 GLY  
         HN     34 VAL  HN      3.50
         HN     34 VAL  QG1     7.00
         HN     50 TYR  HB3     6.00
         HN     51 ASP  HN      5.50
         HN     51 ASP  HB3     6.00
         HN     55 THR  QG2     7.00
         HA1    51 ASP  HN      4.40
         HA1    51 ASP  HB3     6.00
         HA1    54 GLU  HN      5.40
         HA1    54 GLU  HB2     6.00
         HA1    54 GLU  HB3     6.00
         HA1    55 THR  HN      4.80
         HA1    55 THR  QG2     7.00
         HA2    51 ASP  HN      4.20
         HA2    51 ASP  HB2     6.00
         HA2    51 ASP  HB3     6.00
         HA2    54 GLU  HN      5.00
         HA2    54 GLU  HB3     6.00
         HA2    54 GLU  QG      7.00
         HA2    55 THR  HN      4.10
         HA2    55 THR  QG2     7.00
 34 VAL  
         HN     34 VAL  HB      2.90
         HN     34 VAL  QG1     3.90
         HN     35 THR  HN      5.10
         HN     48 VAL  QG2     7.00
         HN     50 TYR  HA      5.50
         HN     51 ASP  HN      6.00
         HN     54 GLU  HB2     6.00
         HA     35 THR  HN      3.20
         HA     36 ASP  HN      4.30
         HA     50 TYR  HN      5.90
         HA     50 TYR  HA      2.60
         HA     50 TYR  HB2     6.00
         HA     50 TYR  HB3     6.00
         HA     51 ASP  HN      4.00
         HB     35 THR  HN      5.40
         QG1    35 THR  HN      6.10
         QG1    50 TYR  HA      7.00
         QG1    51 ASP  HN      7.00
         QG1    55 THR  HB      7.00
         QG1    60 ILE  QD1     8.00
         QG2    35 THR  HN      4.90
         QG2    36 ASP  HN      4.10
         QG2    37 ALA  HN      6.30
         QG2    51 ASP  HN      7.00
         QG2    60 ILE  QD1     8.00
 35 THR  
         HN     35 THR  HB      3.70
         HN     35 THR  QG2     4.60
         HN     36 ASP  HN      3.10
         HN     36 ASP  HA      5.70
         HN     49 ILE  HN      4.80
         HN     49 ILE  HB      6.00
         HN     49 ILE  QG1     7.00
         HN     50 TYR  HN      4.70
         HN     50 TYR  HA      3.20
         HN     50 TYR  HB2     6.00
         HN     50 TYR  HB3     6.00
         HN     51 ASP  HN      5.00
         HB     36 ASP  HN      3.80
         HB     49 ILE  HB      6.00
         HB     49 ILE  QG2     7.00
         HB     50 TYR  HA      6.00
         QG2    36 ASP  HN      5.70
         QG2    49 ILE  QG2     8.00
         QG2    49 ILE  QG1     8.00
         QG2    50 TYR  HA      7.00
         QG2    51 ASP  HN      7.00
 36 ASP  
         HN     36 ASP  HB2     4.10
         HN     36 ASP  HB3     4.10
         HN     36 ASP  QB      3.90
         HN     37 ALA  HN      4.60
         HN     37 ALA  HA      5.90
         HN     49 ILE  HN      3.20
         HN     49 ILE  HB      4.70
         HN     49 ILE  QG2     5.40
         HN     50 TYR  HA      4.60
         HA     37 ALA  HN      2.90
         HB2    37 ALA  HN      4.40
         HB2    49 ILE  HN      6.00
         HB2    49 ILE  HB      6.00
         HB2    49 ILE  QG1     7.00
         HB3    37 ALA  HN      4.40
         HB3    49 ILE  HN      6.00
         HB3    49 ILE  HB      6.00
         HB3    49 ILE  QG1     7.00
         QB     37 ALA  HN      4.21
         QB     49 ILE  QG2     7.88
 37 ALA  
         HN     38 ASN  HN      4.90
         HN     38 ASN  HA      5.90
         HN     38 ASN  HD22    6.00
         HN     49 ILE  HB      6.00
         HA     38 ASN  HN      2.80
         HA     38 ASN  QB      6.10
         HA     47 ASN  HN      5.50
         HA     48 VAL  HA      2.80
         HA     48 VAL  QG1     7.00
         HA     48 VAL  QG2     7.00
         HA     49 ILE  HN      3.90
         HA     49 ILE  QG1     7.00
         QB     38 ASN  HN      4.00
         QB     47 ASN  HN      7.00
         QB     48 VAL  HA      7.00
         QB     48 VAL  HB      7.00
         QB     48 VAL  QG1     8.00
 38 ASN  
         HN     38 ASN  HD21    5.40
         HN     38 ASN  HD22    6.00
         HN     39 VAL  HN      4.90
         HN     39 VAL  HB      6.00
         HN     46 VAL  HB      6.00
         HN     46 VAL  QQG     6.36
         HN     47 ASN  HN      3.20
         HN     47 ASN  HA      5.40
         HN     48 VAL  HN      5.70
         HN     48 VAL  HA      3.60
         HN     49 ILE  HN      5.10
         HA     38 ASN  HD21    5.90
         HA     39 VAL  HN      2.80
         HA     47 ASN  HN      6.00
         QB     47 ASN  QB      8.00
         HD21   49 ILE  QD1     7.00
 39 VAL  
         HN     39 VAL  HB      3.10
         HN     39 VAL  QG1     3.90
         HN     39 VAL  QG2     4.70
         HN     40 ASN  HN      5.60
         HN     46 VAL  HB      6.00
         HN     47 ASN  HN      6.00
         HA     40 ASN  HN      2.90
         HA     41 LEU  HN      6.00
         HA     46 VAL  HN      6.00
         HA     46 VAL  HA      3.10
         HA     46 VAL  HB      6.00
         HA     46 VAL  QG1     7.00
         HA     46 VAL  QG2     7.00
         HA     47 ASN  HN      3.70
         HB     40 ASN  HN      5.10
         HB     46 VAL  QQG     8.56
         HB     47 ASN  HN      6.00
         QG1    40 ASN  HN      6.10
         QG1    41 LEU  QD1     8.00
         QG1    41 LEU  QD2     8.00
         QG1    46 VAL  HB      7.00
         QG1    47 ASN  HN      7.00
         QG2    40 ASN  HN      3.70
         QG2    41 LEU  HG      7.00
 40 ASN  
         HN     40 ASN  HB2     3.80
         HN     40 ASN  HB3     3.70
         HN     41 LEU  HN      4.80
         HN     44 GLU  HN      6.00
         HN     45 THR  HN      4.30
         HN     45 THR  HB      6.00
         HN     45 THR  QG2     7.00
         HN     46 VAL  HA      3.70
         HN     46 VAL  HB      6.00
         HN     47 ASN  HN      4.30
         HA     41 LEU  HN      2.90
         HA     42 ALA  HN      5.80
         HA     43 THR  HN      5.80
         HB2    41 LEU  HN      4.80
         HB2    42 ALA  HN      6.00
         HB2    42 ALA  QB      7.00
         HB2    43 THR  HN      5.60
         HB2    43 THR  QG2     7.00
         HB2    45 THR  HB      6.00
         HB2    46 VAL  HB      6.00
         HB3    41 LEU  HN      6.00
         HB3    42 ALA  HN      6.00
         HB3    43 THR  HN      4.70
         HB3    43 THR  QG2     7.00
         HB3    44 GLU  HN      6.00
         HB3    45 THR  HN      5.00
         HB3    45 THR  HB      6.00
         HB3    46 VAL  HA      6.00
         HD21   42 ALA  QB      7.00
         HD21   45 THR  QG2     7.00
         HD22   42 ALA  QB      7.00
         HD22   45 THR  QG2     7.00
         QD2    42 ALA  HN      6.87
         QD2    43 THR  HN      6.87
         QD2    45 THR  QG2     6.56
 41 LEU  
         HN     41 LEU  HB2     3.60
         HN     41 LEU  HB3     3.90
         HN     41 LEU  HG      3.90
         HN     41 LEU  QD1     5.70
         HN     41 LEU  QD2     4.70
         HN     42 ALA  HN      3.80
         HN     42 ALA  HA      6.00
         HN     43 THR  HN      6.00
         HN     44 GLU  HA      6.00
         HN     45 THR  HN      6.00
         HA     41 LEU  HG      3.90
         HA     41 LEU  QD1     4.70
         HA     41 LEU  QD2     4.10
         HA     43 THR  HN      5.30
         HA     44 GLU  HN      4.30
         HA     44 GLU  HA      5.60
         HA     44 GLU  QG      7.00
         HB2    42 ALA  HN      3.70
         HB2    44 GLU  HN      5.10
         HB2    45 THR  HN      6.00
         HB3    42 ALA  HN      4.10
         HG     42 ALA  HN      4.60
         QD1    42 ALA  HN      7.00
         QD1    44 GLU  HN      7.00
         QD1    44 GLU  HA      7.00
         QD2    42 ALA  HN      7.00
         QD2    43 THR  HN      7.00
         QD2    44 GLU  HN      7.00
         QD2    45 THR  HN      5.90
 42 ALA  
         HN     43 THR  HN      3.50
         HN     43 THR  QG2     7.00
         HN     44 GLU  HN      4.80
         HN     44 GLU  HA      6.00
         HA     44 GLU  HN      5.10
         QB     43 THR  HN      3.70
         QB     43 THR  HA      5.30
 43 THR  
         HN     43 THR  QG2     3.70
         HN     44 GLU  HN      3.20
         HN     44 GLU  HA      5.00
         HN     44 GLU  QB      6.88
         HN     44 GLU  QG      7.00
         HN     45 THR  HN      4.20
         HA     45 THR  HN      5.10
         HB     44 GLU  HN      5.50
         QG2    44 GLU  HN      6.70
         QG2    45 THR  HA      7.00
         QG2    45 THR  HB      7.00
 44 GLU  
         HN     44 GLU  QG      5.00
         HN     45 THR  HN      3.80
         HA     45 THR  HN      3.40
         QG     45 THR  HN      7.00
 45 THR  
         HN     45 THR  HB      3.30
         HN     45 THR  QG2     4.80
         HN     46 VAL  HN      5.20
         HN     46 VAL  HB      5.00
         HA     46 VAL  HN      3.00
         HB     46 VAL  HN      4.70
         QG2    46 VAL  HN      6.10
 46 VAL  
         HN     46 VAL  HB      3.50
         HN     47 ASN  HN      5.50
         HN     47 ASN  HA      5.90
         HA     47 ASN  HN      2.80
         HB     47 ASN  HN      4.60
         QG1    47 ASN  HN      7.00
         QG1    47 ASN  HD21    10.12
         QG1    47 ASN  HD22    10.12
         QG2    47 ASN  HN      7.00
         QG2    47 ASN  HD21    10.12
         QG2    47 ASN  HD22    10.12
         QQG    47 ASN  HN      5.80
         QQG    47 ASN  QD2     8.52
         QQG    48 VAL  HN      8.16
         QQG    71 VAL  QG1     9.56
         QQG    71 VAL  QG2     9.56
 47 ASN  
         HN     47 ASN  HD21    6.00
         HN     47 ASN  HD22    6.00
         HN     48 VAL  HN      5.40
         HA     47 ASN  HD21    6.00
         HA     47 ASN  HD22    6.00
         HA     48 VAL  HN      2.90
         HD21   49 ILE  QG2     7.00
         HD22   49 ILE  QG2     7.00
         QD2    48 VAL  HN      6.87
 48 VAL  
         HN     48 VAL  HB      3.60
         HN     48 VAL  QG1     4.80
         HN     49 ILE  HN      6.00
         HN     49 ILE  HA      5.50
         HN     50 TYR  QD      8.00
         HA     49 ILE  HN      3.00
         HB     49 ILE  HN      5.10
         HB     60 ILE  QD1     7.00
         QG1    49 ILE  HN      5.60
         QG1    50 TYR  QD      9.00
         QG1    50 TYR  QE      9.00
         QG2    49 ILE  HN      4.10
         QG2    49 ILE  HA      7.00
         QG2    50 TYR  HN      6.80
         QG2    50 TYR  HB2     7.00
         QG2    50 TYR  HB3     7.00
         QG2    50 TYR  QD      9.00
         QG2    50 TYR  QE      9.00
         QG2    60 ILE  QD1     8.00
 49 ILE  
         HN     49 ILE  HB      3.40
         HN     49 ILE  QG1     6.70
         HN     49 ILE  QD1     5.10
         HN     50 TYR  HN      5.60
         HN     50 TYR  QD      8.00
         HA     50 TYR  HN      3.10
         HB     50 TYR  HN      4.80
         QG2    49 ILE  QD1     4.40
         QG2    50 TYR  HN      4.30
         QG2    50 TYR  HA      7.00
         QG1    50 TYR  HN      7.00
         QG1    50 TYR  HA      7.00
         QD1    50 TYR  HN      7.00
 50 TYR  
         HN     50 TYR  QE      7.00
         HN     51 ASP  HN      5.30
         HA     50 TYR  HB2     2.60
         HA     50 TYR  HB3     2.70
         HA     51 ASP  HN      3.10
         HA     51 ASP  HB3     4.90
         HB2    51 ASP  HN      3.60
         HB2    60 ILE  QD1     7.00
         HB3    51 ASP  HN      4.00
         HB3    60 ILE  QD1     7.00
         QD     51 ASP  HN      8.00
         QD     51 ASP  HA      8.00
         QD     52 PRO  HA      8.00
         QD     52 PRO  QB      9.00
         QD     52 PRO  HG2     8.00
         QD     52 PRO  HG3     8.00
         QD     52 PRO  QD      8.88
         QD     53 ALA  HN      8.00
         QD     54 GLU  HN      8.00
         QD     55 THR  HN      8.00
         QD     56 GLY  HN      8.00
         QD     56 GLY  HA1     8.00
         QD     56 GLY  HA2     8.00
         QD     60 ILE  QD1     9.00
         QE     51 ASP  HN      8.00
         QE     51 ASP  HA      8.00
         QE     52 PRO  HA      7.80
         QE     52 PRO  QB      9.00
         QE     52 PRO  HG2     8.00
         QE     52 PRO  HG3     8.00
         QE     52 PRO  QD      8.88
         QE     55 THR  HN      8.00
         QE     56 GLY  HN      8.00
         QE     56 GLY  HA1     8.00
         QE     56 GLY  HA2     8.00
         QE     57 THR  HN      8.00
         QE     60 ILE  QD1     9.00
 51 ASP  
         HN     51 ASP  HB2     3.60
         HN     51 ASP  HB3     3.30
         HN     52 PRO  QD      6.88
         HN     53 ALA  HN      4.90
         HN     54 GLU  HN      5.20
         HN     54 GLU  HB2     6.00
         HN     54 GLU  HB3     6.00
         HN     54 GLU  QG      7.00
         HN     55 THR  HN      5.90
         HN     55 THR  QG2     7.00
         HA     53 ALA  HN      4.90
         HB2    52 PRO  QD      6.88
         HB2    53 ALA  HN      5.80
         HB2    53 ALA  QB      7.00
         HB2    54 GLU  HN      5.20
         HB2    55 THR  HN      6.00
         HB2    55 THR  QG2     7.00
         HB3    53 ALA  HN      5.30
         HB3    55 THR  HN      5.80
 52 PRO  
         HA     54 GLU  HN      4.70
         HA     55 THR  HN      3.90
         HA     56 GLY  HN      6.00
         HA     56 GLY  HA1     6.00
         QB     57 THR  QG2     8.00
         HG2    53 ALA  HN      5.50
         HG3    53 ALA  HN      5.50
         QG     53 ALA  HN      5.09
         HD2    53 ALA  HN      5.80
         HD3    53 ALA  HN      5.80
         QD     53 ALA  HN      5.30
 53 ALA  
         HN     53 ALA  QB      3.40
         HN     54 GLU  HN      3.00
         HN     54 GLU  HA      5.50
         HN     55 THR  HN      4.20
         HN     55 THR  QG2     7.00
         QB     54 GLU  HN      3.90
         QB     55 THR  HN      6.00
 54 GLU  
         HN     54 GLU  HB2     3.50
         HN     54 GLU  HB3     3.90
         HN     54 GLU  QG      6.10
         HN     55 THR  HN      2.80
         HN     55 THR  QG2     6.80
         HA     54 GLU  HB3     2.80
         HB2    55 THR  HN      3.90
         HB2    55 THR  QG2     7.00
         HB3    55 THR  HN      4.30
         HB3    55 THR  QG2     7.00
         QG     55 THR  HN      7.00
 55 THR  
         HN     55 THR  QG2     3.70
         HN     56 GLY  HN      4.50
         HA     55 THR  HB      2.80
         HA     55 THR  HG1     3.80
         HA     56 GLY  HN      3.60
         HA     59 ALA  HN      6.00
         HB     56 GLY  HN      4.20
         HB     59 ALA  QB      7.00
         HB     60 ILE  QG1     6.88
         QG2    56 GLY  HN      4.20
         QG2    57 THR  HN      7.00
         QG2    59 ALA  HN      7.00
         QG2    59 ALA  QB      8.00
         QG2    60 ILE  HN      7.00
         QG2    60 ILE  QG2     8.00
         QG2    60 ILE  QG1     7.88
         QG2    60 ILE  QD1     8.00
         HG1    56 GLY  HN      5.10
         HG1    59 ALA  QB      7.00
         HG1    60 ILE  QG1     6.88
 56 GLY  
         HN     57 THR  HN      4.50
         HN     57 THR  HA      6.00
         HN     58 ALA  QB      4.60
         HN     59 ALA  HN      4.50
         HN     59 ALA  QB      4.50
         HN     60 ILE  HN      5.20
         HN     60 ILE  HB      5.10
         HN     60 ILE  QG2     7.00
         HN     60 ILE  QG1     6.88
         HN     60 ILE  QD1     6.90
         HA1    57 THR  HN      3.50
         HA1    58 ALA  HN      6.00
         HA1    59 ALA  HN      6.00
         HA2    59 ALA  HN      5.30
 57 THR  
         HN     57 THR  HB      4.00
         HN     57 THR  QG2     4.30
         HN     58 ALA  HN      4.30
         HN     58 ALA  QB      6.20
         HN     59 ALA  HN      4.50
         HN     60 ILE  HB      6.00
         HN     60 ILE  QD1     7.00
         HA     57 THR  HB      2.70
         HA     59 ALA  HN      5.20
         HA     60 ILE  HN      4.20
         HA     60 ILE  HB      3.50
         HA     60 ILE  QG1     6.88
         HA     60 ILE  QD1     7.00
         HB     60 ILE  HB      6.00
         QG2    58 ALA  HN      7.00
         QG2    59 ALA  HN      7.00
         QG2    60 ILE  HN      7.00
         QG2    60 ILE  QD1     8.00
         QG2    61 GLN  HN      7.00
         QG2    61 GLN  HE21    7.00
         QG2    61 GLN  HE22    7.00
         QG2    73 ILE  QG2     8.00
 58 ALA  
         HN     59 ALA  HN      4.20
         HN     60 ILE  HN      6.00
         HN     60 ILE  HB      6.00
         HN     61 GLN  QB      7.00
         HA     61 GLN  HN      4.50
         HA     61 GLN  QB      4.70
         HA     61 GLN  HE21    6.00
         HA     61 GLN  HE22    6.00
         QB     59 ALA  HN      3.50
         QB     61 GLN  HN      6.40
 59 ALA  
         HN     59 ALA  QB      3.60
         HN     60 ILE  HN      3.30
         HN     60 ILE  HB      4.70
         HN     60 ILE  HG12    6.00
         HN     60 ILE  HG13    6.00
         HN     60 ILE  QD1     7.00
         HN     62 GLU  HB3     6.00
         HN     62 GLU  QG      7.00
         HA     61 GLN  HN      4.90
         HA     62 GLU  HN      4.90
         HA     62 GLU  HB2     3.50
         HA     62 GLU  HB3     4.00
         HA     62 GLU  QG      7.00
         HA     63 LYS  HN      4.40
         QB     60 ILE  HN      3.90
         QB     62 GLU  HN      6.70
         QB     62 GLU  HB3     7.00
         QB     63 LYS  HN      6.10
 60 ILE  
         HN     60 ILE  HB      2.80
         HN     60 ILE  QG2     4.20
         HN     60 ILE  HG12    4.90
         HN     60 ILE  HG13    4.90
         HN     60 ILE  QG1     4.39
         HN     60 ILE  QD1     4.40
         HN     61 GLN  HN      3.50
         HN     61 GLN  HA      6.00
         HN     61 GLN  QB      6.50
         HN     61 GLN  QG      6.88
         HN     62 GLU  HN      5.00
         HA     60 ILE  HG12    4.00
         HA     60 ILE  HG13    4.00
         HA     60 ILE  QG1     3.61
         HA     62 GLU  HN      5.50
         HA     63 LYS  HN      4.30
         HA     63 LYS  HB2     5.00
         HA     63 LYS  HB3     5.00
         HA     63 LYS  QB      4.68
         HB     61 GLN  HN      3.30
         QG2    61 GLN  HN      7.00
         HG12   61 GLN  HN      6.00
         HG13   61 GLN  HN      6.00
         QG1    61 GLN  HN      5.55
         QG1    61 GLN  HA      6.88
         QG1    64 ILE  HA      6.88
         QD1    61 GLN  HN      7.00
 61 GLN  
         HN     61 GLN  HG2     5.20
         HN     61 GLN  HG3     5.20
         HN     61 GLN  QG      4.56
         HN     62 GLU  HN      3.50
         HN     63 LYS  HN      4.90
         HN     64 ILE  HN      6.00
         HN     71 VAL  QG1     6.70
         HA     61 GLN  HE21    6.00
         HA     61 GLN  HE22    6.00
         HA     63 LYS  HN      5.90
         HA     64 ILE  HN      4.50
         HA     64 ILE  HB      4.30
         HA     64 ILE  QG2     7.00
         HA     64 ILE  QG1     6.88
         HA     65 GLU  HN      5.80
         HA     71 VAL  QG2     7.00
         QB     61 GLN  HE21    7.00
         QB     64 ILE  HG12    7.00
         QB     64 ILE  HG13    7.00
         QB     64 ILE  QD1     8.00
         HG2    62 GLU  HN      6.00
         HG2    71 VAL  QG1     7.00
         HG2    71 VAL  QG2     7.00
         HG3    62 GLU  HN      6.00
         HG3    71 VAL  QG1     7.00
         HG3    71 VAL  QG2     7.00
         QG     62 GLU  HN      5.69
         HE21   64 ILE  HB      6.00
         HE21   71 VAL  QG2     6.70
         HE22   64 ILE  HB      6.00
         HE22   71 VAL  QG2     6.80
 62 GLU  
         HN     62 GLU  HB2     3.80
         HN     62 GLU  HB3     3.20
         HN     62 GLU  QG      5.70
         HN     63 LYS  HN      3.40
         HN     64 ILE  HN      5.10
         HA     64 ILE  HN      5.50
         HA     65 GLU  HN      3.80
         HA     65 GLU  QB      4.78
         HA     65 GLU  QG      6.88
         HA     66 LYS  HN      5.90
         HB2    63 LYS  HN      4.10
         HB3    63 LYS  HN      3.40
         QG     63 LYS  HN      7.00
 63 LYS  
         HN     63 LYS  HB2     3.20
         HN     63 LYS  HB3     3.20
         HN     63 LYS  HG2     5.00
         HN     63 LYS  HG3     5.00
         HN     63 LYS  QG      4.82
         HN     63 LYS  QD      5.70
         HN     63 LYS  HE2     6.00
         HN     63 LYS  HE3     6.00
         HN     64 ILE  HN      3.30
         HN     64 ILE  QG2     7.00
         HN     64 ILE  QG1     6.88
         HN     65 GLU  HN      4.90
         HN     66 LYS  HN      5.40
         HA     63 LYS  HG2     4.20
         HA     63 LYS  HG3     4.20
         HA     63 LYS  QG      3.81
         HA     63 LYS  QD      5.20
         HA     63 LYS  HE2     6.00
         HA     63 LYS  HE3     6.00
         HA     63 LYS  QE      5.79
         HA     65 GLU  QB      5.08
         HA     66 LYS  HN      3.70
         HA     66 LYS  HB2     3.80
         HA     66 LYS  HB3     3.80
         HA     66 LYS  QB      3.60
         HA     66 LYS  QE      6.88
         HB2    63 LYS  HE2     6.00
         HB2    63 LYS  HE3     6.00
         HB2    64 ILE  HN      3.90
         HB3    63 LYS  HE2     6.00
         HB3    63 LYS  HE3     6.00
         HB3    64 ILE  HN      3.90
         QB     64 ILE  HN      3.60
         HG2    64 ILE  HN      6.00
         HG3    64 ILE  HN      6.00
         QG     66 LYS  HN      6.88
         QG     67 LEU  HN      6.88
         QD     64 ILE  HN      7.00
 64 ILE  
         HN     64 ILE  HB      3.40
         HN     64 ILE  QG2     4.40
         HN     64 ILE  HG12    4.70
         HN     64 ILE  HG13    4.70
         HN     64 ILE  QG1     4.47
         HN     64 ILE  QD1     4.90
         HN     65 GLU  HN      3.40
         HN     65 GLU  HA      6.00
         HN     65 GLU  QB      6.48
         HN     65 GLU  HG2     6.00
         HN     65 GLU  HG3     6.00
         HN     66 LYS  HN      5.50
         HA     64 ILE  HG12    4.10
         HA     64 ILE  HG13    4.10
         HA     64 ILE  QG1     3.71
         HA     64 ILE  QD1     4.70
         HA     67 LEU  HN      4.20
         HA     67 LEU  HB2     4.00
         HA     67 LEU  HB3     3.80
         HA     67 LEU  QD1     7.00
         HA     67 LEU  QD2     7.00
         HA     69 TYR  QD      8.00
         HA     69 TYR  QE      8.00
         HB     65 GLU  HN      3.70
         QG2    64 ILE  QD1     4.50
         QG2    65 GLU  HN      7.00
         QG2    69 TYR  HN      7.00
         QG2    71 VAL  HB      7.00
         HG12   65 GLU  HN      6.00
         HG13   65 GLU  HN      6.00
         QG1    70 HID  HA      6.88
         QD1    65 GLU  HN      6.50
         QD1    69 TYR  HN      7.00
         QD1    69 TYR  QD      9.00
         QD1    69 TYR  QE      9.00
         QD1    70 HID  HA      7.00
         QD1    71 VAL  HN      6.30
         QD1    71 VAL  QG1     8.00
 65 GLU  
         HN     65 GLU  HB2     3.90
         HN     65 GLU  HB3     3.90
         HN     65 GLU  QB      3.70
         HN     65 GLU  HG2     3.90
         HN     65 GLU  HG3     3.90
         HN     65 GLU  QG      3.65
         HN     66 LYS  HN      3.50
         HN     69 TYR  HN      6.00
         HA     65 GLU  HG2     4.20
         HA     65 GLU  HG3     4.20
         HA     65 GLU  QG      3.91
         HA     67 LEU  HN      5.50
         HA     68 GLY  HN      4.20
         HA     69 TYR  HN      3.60
         HB2    66 LYS  HN      3.70
         HB3    66 LYS  HN      3.70
         QB     66 LYS  HN      3.49
         QB     71 VAL  HN      6.88
         HG2    66 LYS  HN      6.00
         HG2    71 VAL  HN      6.00
         HG3    66 LYS  HN      6.00
         HG3    71 VAL  HN      6.00
         QG     70 HID  HA      6.88
         QG     71 VAL  HN      5.84
 66 LYS  
         HN     66 LYS  HB2     3.70
         HN     66 LYS  HB3     3.70
         HN     66 LYS  QG      5.90
         HN     66 LYS  QD      5.10
         HN     66 LYS  HE2     6.00
         HN     66 LYS  HE3     6.00
         HN     67 LEU  HN      3.60
         HN     67 LEU  HA      6.00
         HN     67 LEU  QD1     7.00
         HN     67 LEU  QD2     7.00
         HN     68 GLY  HN      5.10
         HA     66 LYS  HB2     3.00
         HA     66 LYS  HB3     3.00
         HA     66 LYS  QD      5.20
         HA     66 LYS  QE      6.88
         HB2    67 LEU  HN      4.10
         HB3    67 LEU  HN      4.10
         QB     67 LEU  HN      3.85
         QB     69 TYR  HN      6.58
         QD     67 LEU  HN      7.00
 67 LEU  
         HN     67 LEU  HB2     3.40
         HN     67 LEU  HG      3.80
         HN     67 LEU  QD1     5.30
         HN     67 LEU  QD2     5.30
         HN     67 LEU  QQD     4.86
         HN     68 GLY  HN      3.40
         HN     69 TYR  HN      4.60
         HA     67 LEU  HB3     3.00
         HA     67 LEU  HG      3.90
         HA     67 LEU  QD1     5.70
         HA     67 LEU  QD2     5.70
         HA     69 TYR  HN      6.00
         HB2    68 GLY  HN      4.20
         HB2    69 TYR  HN      3.90
         HB3    68 GLY  HN      5.30
         HB3    69 TYR  HN      5.40
         HB3    69 TYR  QD      8.00
         HB3    69 TYR  QE      8.00
         HG     68 GLY  HN      6.00
         HG     69 TYR  QE      8.00
         QD1    68 GLY  HN      7.00
         QD2    68 GLY  HN      7.00
         QQD    69 TYR  QD      10.57
         QQD    69 TYR  QE      10.57
 68 GLY  
         HN     69 TYR  HN      3.20
         HN     69 TYR  QD      8.00
 69 TYR  
         HN     69 TYR  HB2     3.80
         HN     69 TYR  HB3     4.10
         HN     69 TYR  QE      5.50
         HN     70 HID  HN      5.80
         HN     70 HID  HA      6.00
         HN     71 VAL  HN      6.00
         HA     69 TYR  HB3     3.00
         HA     69 TYR  QE      5.80
         HA     70 HID  HN      3.30
         HA     70 HID  QB      5.68
         HA     70 HID  HD2     6.00
         HB2    70 HID  HN      3.70
         HB3    70 HID  HN      3.70
         QD     70 HID  HN      8.00
 70 HID  
         HN     70 HID  HB2     3.70
         HN     70 HID  HB3     3.70
         HN     70 HID  QB      3.49
         HN     70 HID  HD2     6.00
         HN     71 VAL  HN      5.10
         HN     71 VAL  QG1     7.00
         HA     70 HID  HD2     6.00
         HA     71 VAL  HN      2.90
         HB2    70 HID  HD2     4.00
         HB2    71 VAL  HN      4.70
         HB3    70 HID  HD2     4.00
         HB3    71 VAL  HN      4.70
         QB     71 VAL  HN      4.37
         HD2    72 VAL  QG1     7.00
         HD2    72 VAL  QG2     7.00
 71 VAL  
         HN     71 VAL  HB      3.20
         HN     71 VAL  QG1     4.10
         HN     72 VAL  HN      5.00
         HA     72 VAL  HN      2.90
         QG1    72 VAL  HN      5.70
         QG1    73 ILE  QD1     8.00
         QG2    72 VAL  HN      4.70
 72 VAL  
         HN     72 VAL  HB      3.70
         HN     72 VAL  QG1     4.20
         HN     72 VAL  QG2     4.80
         HN     73 ILE  HN      4.60
         HN     73 ILE  HA      6.00
         HA     73 ILE  HN      2.80
         HA     74 GLU  HN      5.30
         HB     73 ILE  HN      3.80
         QG1    73 ILE  HN      4.70
 73 ILE  
         HN     73 ILE  HB      3.70
         HN     73 ILE  QG2     4.70
         HN     73 ILE  HG12    4.10
         HN     73 ILE  HG13    4.10
         HN     73 ILE  QD1     4.80
         HN     74 GLU  HN      4.30
         HB     74 GLU  HN      4.60
         QG2    73 ILE  QD1     4.40
         QG2    74 GLU  HN      4.60
         QG2    75 GLY  HN      6.30
         QG2    76 ARG  HN      7.00
         HG12   74 GLU  HN      6.00
         HG13   74 GLU  HN      6.00
         QD1    74 GLU  HN      7.00
 74 GLU  
         HN     74 GLU  HB2     4.00
         HN     74 GLU  HB3     4.00
         HN     74 GLU  QG      5.70
         HN     75 GLY  HN      4.50
         HA     75 GLY  HN      3.30
         HB2    75 GLY  HN      5.40
         HB3    75 GLY  HN      5.40
         QG     75 GLY  HN      7.00
 75 GLY  
         HN     76 ARG  HN      4.50
 76 ARG  
         HN     76 ARG  QG      6.00
         HN     76 ARG  QD      7.00

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1           H1       MET   1   7.234  -1.888 -24.447
    2   2H    MET   1           H2       MET   1   8.467  -2.380 -25.415
    3   3H    MET   1           H3       MET   1   8.802  -1.679 -23.959
    4    HA   MET   1           HA       MET   1   9.203  -0.233 -25.828
    5   1HB   MET   1          HB2       MET   1   6.986  -1.274 -26.957
    6   2HB   MET   1          HB3       MET   1   6.220   0.088 -26.139
    7   1HG   MET   1          HG2       MET   1   6.769   1.117 -28.138
    8   2HG   MET   1          HG3       MET   1   8.252   1.447 -27.253
    9   1HE   MET   1          HE1       MET   1   6.573  -0.147 -30.270
   10   2HE   MET   1          HE2       MET   1   7.642  -1.488 -30.740
   11   3HE   MET   1          HE3       MET   1   6.661  -1.611 -29.260
   12    H    LEU   2           H        LEU   2   6.865  -0.385 -23.118
   13    HA   LEU   2           HA       LEU   2   7.018   2.527 -22.663
   14   1HB   LEU   2          HB2       LEU   2   4.703   0.824 -23.546
   15   2HB   LEU   2          HB3       LEU   2   4.417   1.699 -22.057
   16    HG   LEU   2           HG       LEU   2   5.166   3.828 -23.285
   17   1HD1  LEU   2          HD11      LEU   2   4.542   2.050 -25.697
   18   2HD1  LEU   2          HD12      LEU   2   4.764   3.809 -25.728
   19   3HD1  LEU   2          HD13      LEU   2   6.128   2.762 -25.325
   20   1HD2  LEU   2          HD21      LEU   2   2.860   3.338 -22.598
   21   2HD2  LEU   2          HD22      LEU   2   2.873   4.105 -24.193
   22   3HD2  LEU   2          HD23      LEU   2   2.610   2.353 -24.053
   23    H    SER   3           H        SER   3   6.261   2.997 -20.499
   24    HA   SER   3           HA       SER   3   5.687   0.828 -18.629
   25   1HB   SER   3          HB2       SER   3   7.299   2.409 -17.045
   26   2HB   SER   3          HB3       SER   3   7.769   0.856 -17.732
   27    HG   SER   3           HG       SER   3   8.246   3.413 -18.864
   28    H    GLU   4           H        GLU   4   3.655   1.536 -18.168
   29    HA   GLU   4           HA       GLU   4   3.196   4.441 -17.755
   30   1HB   GLU   4          HB2       GLU   4   0.897   4.092 -18.548
   31   2HB   GLU   4          HB3       GLU   4   2.120   3.942 -19.809
   32   1HG   GLU   4          HG2       GLU   4   1.930   1.453 -19.689
   33   2HG   GLU   4          HG3       GLU   4   0.647   1.634 -18.475
   34    H    GLN   5           H        GLN   5   2.599   4.853 -15.782
   35    HA   GLN   5           HA       GLN   5   2.468   2.638 -13.911
   36   1HB   GLN   5          HB2       GLN   5   2.520   4.383 -12.210
   37   2HB   GLN   5          HB3       GLN   5   3.841   4.513 -13.395
   38   1HG   GLN   5          HG2       GLN   5   2.653   6.405 -14.501
   39   2HG   GLN   5          HG3       GLN   5   1.293   6.211 -13.381
   40   1HE2  GLN   5          HE21      GLN   5   4.048   5.525 -11.620
   41   2HE2  GLN   5          HE22      GLN   5   4.197   7.056 -10.838
   42    H    LYS   6           H        LYS   6   0.910   2.568 -12.118
   43    HA   LYS   6           HA       LYS   6  -1.817   3.421 -12.886
   44   1HB   LYS   6          HB2       LYS   6  -0.712   0.701 -13.140
   45   2HB   LYS   6          HB3       LYS   6  -2.122   0.726 -12.099
   46   1HG   LYS   6          HG2       LYS   6  -2.208   2.148 -14.765
   47   2HG   LYS   6          HG3       LYS   6  -2.414   0.394 -14.684
   48   1HD   LYS   6          HD2       LYS   6  -4.281   0.554 -13.168
   49   2HD   LYS   6          HD3       LYS   6  -4.054   2.296 -12.955
   50   1HE   LYS   6          HE2       LYS   6  -4.629   2.713 -15.311
   51   2HE   LYS   6          HE3       LYS   6  -4.823   0.975 -15.594
   52   1HZ   LYS   6          HZ1       LYS   6  -6.923   2.071 -15.199
   53   2HZ   LYS   6          HZ2       LYS   6  -6.626   0.986 -14.000
   54   3HZ   LYS   6          HZ3       LYS   6  -6.441   2.596 -13.716
   55    H    GLU   7           H        GLU   7  -3.261   3.286 -11.339
   56    HA   GLU   7           HA       GLU   7  -2.454   3.485  -8.514
   57   1HB   GLU   7          HB2       GLU   7  -5.024   3.984  -8.414
   58   2HB   GLU   7          HB3       GLU   7  -3.944   5.226  -9.038
   59   1HG   GLU   7          HG2       GLU   7  -4.542   4.788 -11.325
   60   2HG   GLU   7          HG3       GLU   7  -5.412   3.295 -10.869
   61    H    ILE   8           H        ILE   8  -2.815   1.790  -7.158
   62    HA   ILE   8           HA       ILE   8  -4.906  -0.183  -7.913
   63    HB   ILE   8           HB       ILE   8  -2.326  -0.932  -7.543
   64   1HG1  ILE   8          HG12      ILE   8  -3.227  -3.158  -6.674
   65   2HG1  ILE   8          HG13      ILE   8  -4.834  -2.416  -6.719
   66   1HG2  ILE   8          HG21      ILE   8  -2.195   0.006  -5.277
   67   2HG2  ILE   8          HG22      ILE   8  -3.475  -1.103  -4.731
   68   3HG2  ILE   8          HG23      ILE   8  -1.927  -1.745  -5.284
   69   1HD1  ILE   8          HD11      ILE   8  -4.496  -1.957  -9.172
   70   2HD1  ILE   8          HD12      ILE   8  -2.872  -2.660  -9.060
   71   3HD1  ILE   8          HD13      ILE   8  -4.300  -3.681  -8.798
   72    H    ALA   9           H        ALA   9  -6.345  -0.619  -6.217
   73    HA   ALA   9           HA       ALA   9  -6.211   1.041  -3.781
   74   1HB   ALA   9          HB1       ALA   9  -8.586   1.643  -4.016
   75   2HB   ALA   9          HB2       ALA   9  -7.623   2.330  -5.338
   76   3HB   ALA   9          HB3       ALA   9  -8.628   0.893  -5.628
   77    H    MET  10           H        MET  10  -6.571  -0.284  -2.043
   78    HA   MET  10           HA       MET  10  -8.107  -2.772  -2.363
   79   1HB   MET  10          HB2       MET  10  -6.151  -4.221  -1.901
   80   2HB   MET  10          HB3       MET  10  -5.924  -3.302  -3.394
   81   1HG   MET  10          HG2       MET  10  -4.730  -1.533  -1.836
   82   2HG   MET  10          HG3       MET  10  -4.704  -2.888  -0.702
   83   1HE   MET  10          HE1       MET  10  -2.404  -0.906  -2.114
   84   2HE   MET  10          HE2       MET  10  -2.004  -1.997  -0.776
   85   3HE   MET  10          HE3       MET  10  -1.059  -2.047  -2.280
   86    H    GLN  11           H        GLN  11  -7.703  -4.116  -0.130
   87    HA   GLN  11           HA       GLN  11  -8.343  -2.051   1.909
   88   1HB   GLN  11          HB2       GLN  11  -9.360  -4.839   2.258
   89   2HB   GLN  11          HB3       GLN  11  -9.934  -3.302   2.838
   90   1HG   GLN  11          HG2       GLN  11 -11.560  -3.811   1.343
   91   2HG   GLN  11          HG3       GLN  11 -10.528  -2.836   0.302
   92   1HE2  GLN  11          HE21      GLN  11  -9.079  -4.108  -1.191
   93   2HE2  GLN  11          HE22      GLN  11  -9.599  -5.625  -1.810
   94    H    VAL  12           H        VAL  12  -7.576  -2.467   4.064
   95    HA   VAL  12           HA       VAL  12  -5.271  -4.361   4.157
   96    HB   VAL  12           HB       VAL  12  -5.173  -1.930   5.886
   97   1HG1  VAL  12          HG11      VAL  12  -3.103  -3.472   4.278
   98   2HG1  VAL  12          HG12      VAL  12  -2.771  -2.168   5.426
   99   3HG1  VAL  12          HG13      VAL  12  -3.442  -3.699   6.015
  100   1HG2  VAL  12          HG21      VAL  12  -4.485  -1.912   2.916
  101   2HG2  VAL  12          HG22      VAL  12  -5.674  -0.849   3.719
  102   3HG2  VAL  12          HG23      VAL  12  -3.954  -0.675   4.086
  103    H    SER  13           H        SER  13  -4.851  -5.285   6.212
  104    HA   SER  13           HA       SER  13  -7.220  -5.347   8.042
  105   1HB   SER  13          HB2       SER  13  -6.417  -7.413   6.622
  106   2HB   SER  13          HB3       SER  13  -5.032  -7.365   7.712
  107    HG   SER  13           HG       SER  13  -6.685  -8.779   8.427
  108    H    GLY  14           H        GLY  14  -6.746  -4.922  10.220
  109   1HA   GLY  14          HA2       GLY  14  -5.428  -5.032  12.125
  110   2HA   GLY  14          HA3       GLY  14  -3.952  -5.065  11.170
  111    H    MET  15           H        MET  15  -5.230  -2.535   9.708
  112    HA   MET  15           HA       MET  15  -3.909  -0.494  11.071
  113   1HB   MET  15          HB2       MET  15  -5.193   1.097   9.810
  114   2HB   MET  15          HB3       MET  15  -4.733  -0.257   8.773
  115   1HG   MET  15          HG2       MET  15  -7.525   0.084   9.959
  116   2HG   MET  15          HG3       MET  15  -7.042   0.667   8.393
  117   1HE   MET  15          HE1       MET  15  -9.279  -2.229   7.311
  118   2HE   MET  15          HE2       MET  15  -8.879  -0.497   7.167
  119   3HE   MET  15          HE3       MET  15  -9.549  -1.139   8.693
  120    H    THR  16           H        THR  16  -4.218   0.464  13.048
  121    HA   THR  16           HA       THR  16  -6.985   0.541  14.199
  122    HB   THR  16           HB       THR  16  -5.707   0.846  16.357
  123    HG1  THR  16           HG1      THR  16  -3.696   1.401  15.330
  124   1HG2  THR  16          HG21      THR  16  -5.202  -1.749  14.836
  125   2HG2  THR  16          HG22      THR  16  -5.184  -1.542  16.594
  126   3HG2  THR  16          HG23      THR  16  -6.699  -1.334  15.692
  127    H    CYS  17           H        CYS  17  -6.534   2.257  12.198
  128    HA   CYS  17           HA       CYS  17  -6.512   4.412  11.579
  129   1HB   CYS  17          HB2       CYS  17  -8.528   4.227  13.033
  130   2HB   CYS  17          HB3       CYS  17  -7.607   4.996  14.353
  131    HG   CYS  17           HG       CYS  17  -9.147   6.776  13.256
  132    H    ALA  18           H        ALA  18  -6.010   6.602  13.939
  133    HA   ALA  18           HA       ALA  18  -4.191   7.987  14.170
  134   1HB   ALA  18          HB1       ALA  18  -3.449   5.474  15.707
  135   2HB   ALA  18          HB2       ALA  18  -2.860   7.120  16.039
  136   3HB   ALA  18          HB3       ALA  18  -4.581   6.739  16.233
  137    H    ALA  19           H        ALA  19  -3.708   7.449  11.713
  138    HA   ALA  19           HA       ALA  19  -2.169   7.359  10.081
  139   1HB   ALA  19          HB1       ALA  19   0.041   8.256  10.579
  140   2HB   ALA  19          HB2       ALA  19  -1.186   9.129  11.511
  141   3HB   ALA  19          HB3       ALA  19  -0.165   7.911  12.305
  142    H    CYS  20           H        CYS  20  -2.673   4.741  11.604
  143    HA   CYS  20           HA       CYS  20  -0.195   3.263  11.581
  144   1HB   CYS  20          HB2       CYS  20  -3.109   2.350  11.628
  145   2HB   CYS  20          HB3       CYS  20  -1.721   1.250  11.684
  146    HG   CYS  20           HG       CYS  20  -2.326   3.771  13.716
  147    H    ALA  21           H        ALA  21  -3.078   3.029   9.436
  148    HA   ALA  21           HA       ALA  21  -1.782   1.570   7.388
  149   1HB   ALA  21          HB1       ALA  21  -3.667   2.410   5.955
  150   2HB   ALA  21          HB2       ALA  21  -4.173   1.664   7.481
  151   3HB   ALA  21          HB3       ALA  21  -4.159   3.436   7.332
  152    H    ALA  22           H        ALA  22  -1.908   5.044   8.023
  153    HA   ALA  22           HA       ALA  22  -0.714   5.901   5.579
  154   1HB   ALA  22          HB1       ALA  22  -0.483   7.079   8.386
  155   2HB   ALA  22          HB2       ALA  22  -0.072   7.912   6.872
  156   3HB   ALA  22          HB3       ALA  22  -1.755   7.446   7.210
  157    H    ARG  23           H        ARG  23   0.801   4.900   8.734
  158    HA   ARG  23           HA       ARG  23   3.507   5.082   7.855
  159   1HB   ARG  23          HB2       ARG  23   2.195   3.240   9.891
  160   2HB   ARG  23          HB3       ARG  23   3.919   3.294   9.599
  161   1HG   ARG  23          HG2       ARG  23   2.616   5.946  10.096
  162   2HG   ARG  23          HG3       ARG  23   2.616   4.812  11.455
  163   1HD   ARG  23          HD2       ARG  23   5.009   4.541  11.350
  164   2HD   ARG  23          HD3       ARG  23   5.115   5.536   9.872
  165    HE   ARG  23           HE       ARG  23   3.844   7.125  11.787
  166   1HH1  ARG  23          HH22      ARG  23   6.957   5.502  11.516
  167   2HH1  ARG  23          HH21      ARG  23   7.852   6.687  12.416
  168   1HH2  ARG  23          HH12      ARG  23   4.999   8.761  12.956
  169   2HH2  ARG  23          HH11      ARG  23   6.699   8.597  13.245
  170    H    ILE  24           H        ILE  24   1.212   2.306   7.705
  171    HA   ILE  24           HA       ILE  24   2.895   0.409   6.541
  172    HB   ILE  24           HB       ILE  24  -0.033   0.905   5.826
  173   1HG1  ILE  24          HG12      ILE  24   1.192  -1.027   7.808
  174   2HG1  ILE  24          HG13      ILE  24   0.365   0.459   8.253
  175   1HG2  ILE  24          HG21      ILE  24   1.020  -0.463   4.124
  176   2HG2  ILE  24          HG22      ILE  24   1.687  -1.551   5.370
  177   3HG2  ILE  24          HG23      ILE  24  -0.064  -1.441   5.087
  178   1HD1  ILE  24          HD11      ILE  24  -0.844  -2.051   7.120
  179   2HD1  ILE  24          HD12      ILE  24  -1.366  -1.055   8.493
  180   3HD1  ILE  24          HD13      ILE  24  -1.652  -0.512   6.837
  181    H    GLU  25           H        GLU  25   0.756   2.683   4.737
  182    HA   GLU  25           HA       GLU  25   1.880   1.807   2.308
  183   1HB   GLU  25          HB2       GLU  25  -0.390   3.208   2.998
  184   2HB   GLU  25          HB3       GLU  25   0.580   4.493   2.300
  185   1HG   GLU  25          HG2       GLU  25  -0.640   3.533   0.449
  186   2HG   GLU  25          HG3       GLU  25   1.022   2.979   0.278
  187    H    LYS  26           H        LYS  26   2.658   4.621   4.404
  188    HA   LYS  26           HA       LYS  26   4.384   5.948   2.597
  189   1HB   LYS  26          HB2       LYS  26   4.155   5.764   5.609
  190   2HB   LYS  26          HB3       LYS  26   5.523   6.571   4.897
  191   1HG   LYS  26          HG2       LYS  26   2.675   7.303   4.123
  192   2HG   LYS  26          HG3       LYS  26   3.519   8.021   5.504
  193   1HD   LYS  26          HD2       LYS  26   5.392   8.737   3.940
  194   2HD   LYS  26          HD3       LYS  26   4.468   8.096   2.588
  195   1HE   LYS  26          HE2       LYS  26   4.107  10.458   2.616
  196   2HE   LYS  26          HE3       LYS  26   2.597   9.681   3.112
  197   1HZ   LYS  26          HZ1       LYS  26   3.104  11.547   4.498
  198   2HZ   LYS  26          HZ2       LYS  26   3.224  10.187   5.409
  199   3HZ   LYS  26          HZ3       LYS  26   4.585  10.955   4.889
  200    H    GLY  27           H        GLY  27   4.862   3.107   4.674
  201   1HA   GLY  27          HA2       GLY  27   7.613   2.604   4.190
  202   2HA   GLY  27          HA3       GLY  27   6.344   1.381   4.374
  203    H    LEU  28           H        LEU  28   4.684   1.766   2.178
  204    HA   LEU  28           HA       LEU  28   6.292   0.657   0.062
  205   1HB   LEU  28          HB2       LEU  28   3.443   1.659   0.056
  206   2HB   LEU  28          HB3       LEU  28   4.227   0.835  -1.291
  207    HG   LEU  28           HG       LEU  28   3.949  -0.390   1.471
  208   1HD1  LEU  28          HD11      LEU  28   1.799  -0.177   0.675
  209   2HD1  LEU  28          HD12      LEU  28   2.229  -0.427  -1.018
  210   3HD1  LEU  28          HD13      LEU  28   2.259  -1.795   0.109
  211   1HD2  LEU  28          HD21      LEU  28   5.131  -1.434  -1.130
  212   2HD2  LEU  28          HD22      LEU  28   5.803  -1.456   0.497
  213   3HD2  LEU  28          HD23      LEU  28   4.456  -2.515   0.109
  214    H    LYS  29           H        LYS  29   5.192   3.972   0.706
  215    HA   LYS  29           HA       LYS  29   5.979   5.000  -1.822
  216   1HB   LYS  29          HB2       LYS  29   4.659   6.367  -0.587
  217   2HB   LYS  29          HB3       LYS  29   5.687   6.396   0.828
  218   1HG   LYS  29          HG2       LYS  29   7.437   7.643  -0.374
  219   2HG   LYS  29          HG3       LYS  29   6.536   7.492  -1.886
  220   1HD   LYS  29          HD2       LYS  29   5.815   9.176   0.548
  221   2HD   LYS  29          HD3       LYS  29   6.322   9.707  -1.068
  222   1HE   LYS  29          HE2       LYS  29   4.230   8.305  -1.853
  223   2HE   LYS  29          HE3       LYS  29   3.672   8.510  -0.200
  224   1HZ   LYS  29          HZ1       LYS  29   4.094  11.027  -0.713
  225   2HZ   LYS  29          HZ2       LYS  29   4.002  10.560  -2.298
  226   3HZ   LYS  29          HZ3       LYS  29   2.772  10.277  -1.377
  227    H    ARG  30           H        ARG  30   8.010   3.623   0.644
  228    HA   ARG  30           HA       ARG  30  10.435   4.870  -0.479
  229   1HB   ARG  30          HB2       ARG  30   9.800   3.239   1.882
  230   2HB   ARG  30          HB3       ARG  30  11.191   2.615   1.014
  231   1HG   ARG  30          HG2       ARG  30  11.947   4.208   2.650
  232   2HG   ARG  30          HG3       ARG  30  12.180   4.911   1.044
  233   1HD   ARG  30          HD2       ARG  30   9.871   6.051   1.396
  234   2HD   ARG  30          HD3       ARG  30   9.963   5.551   3.065
  235    HE   ARG  30           HE       ARG  30  11.651   7.491   1.543
  236   1HH1  ARG  30          HH22      ARG  30  11.088   5.998   4.695
  237   2HH1  ARG  30          HH21      ARG  30  11.871   7.253   5.604
  238   1HH2  ARG  30          HH12      ARG  30  12.748   9.125   2.702
  239   2HH2  ARG  30          HH11      ARG  30  12.874   9.059   4.428
  240    H    MET  31           H        MET  31   8.413   2.274  -1.607
  241    HA   MET  31           HA       MET  31  10.627   0.631  -2.417
  242   1HB   MET  31          HB2       MET  31   7.667   0.555  -3.117
  243   2HB   MET  31          HB3       MET  31   8.831  -0.636  -3.697
  244   1HG   MET  31          HG2       MET  31   8.276  -0.017  -0.782
  245   2HG   MET  31          HG3       MET  31   7.667  -1.421  -1.658
  246   1HE   MET  31          HE1       MET  31  10.135  -2.549  -3.278
  247   2HE   MET  31          HE2       MET  31   9.096  -3.545  -2.228
  248   3HE   MET  31          HE3       MET  31  10.867  -3.615  -2.063
  249    HA   PRO  32           HA       PRO  32  11.727   2.736  -6.142
  250   1HB   PRO  32          HB2       PRO  32  13.087   0.782  -7.506
  251   2HB   PRO  32          HB3       PRO  32  13.724   1.617  -6.061
  252   1HG   PRO  32          HG2       PRO  32  12.314  -1.059  -6.171
  253   2HG   PRO  32          HG3       PRO  32  13.851  -0.666  -5.345
  254   1HD   PRO  32          HD2       PRO  32  11.506  -0.731  -4.001
  255   2HD   PRO  32          HD3       PRO  32  12.708   0.543  -3.633
  256    H    GLY  33           H        GLY  33   9.737   3.177  -7.082
  257   1HA   GLY  33          HA2       GLY  33   9.111   2.961  -9.497
  258   2HA   GLY  33          HA3       GLY  33   8.678   1.296  -9.150
  259    H    VAL  34           H        VAL  34   7.984   2.704  -6.257
  260    HA   VAL  34           HA       VAL  34   5.206   3.337  -6.780
  261    HB   VAL  34           HB       VAL  34   6.325   2.547  -4.612
  262   1HG1  VAL  34          HG11      VAL  34   8.062   4.565  -4.848
  263   2HG1  VAL  34          HG12      VAL  34   6.800   5.478  -4.020
  264   3HG1  VAL  34          HG13      VAL  34   7.502   4.013  -3.285
  265   1HG2  VAL  34          HG21      VAL  34   4.695   3.646  -3.217
  266   2HG2  VAL  34          HG22      VAL  34   4.482   4.964  -4.386
  267   3HG2  VAL  34          HG23      VAL  34   3.968   3.314  -4.791
  268    H    THR  35           H        THR  35   4.244   5.419  -6.723
  269    HA   THR  35           HA       THR  35   6.119   7.747  -7.004
  270    HB   THR  35           HB       THR  35   3.532   8.403  -8.078
  271    HG1  THR  35           HG1      THR  35   4.697   6.007  -9.013
  272   1HG2  THR  35          HG21      THR  35   5.689   9.485  -8.643
  273   2HG2  THR  35          HG22      THR  35   6.220   7.999  -9.462
  274   3HG2  THR  35          HG23      THR  35   4.832   8.923 -10.084
  275    H    ASP  36           H        ASP  36   2.734   6.815  -6.045
  276    HA   ASP  36           HA       ASP  36   3.207   8.315  -3.633
  277   1HB   ASP  36          HB2       ASP  36   2.234   9.902  -5.604
  278   2HB   ASP  36          HB3       ASP  36   0.709   9.327  -4.895
  279    H    ALA  37           H        ALA  37   1.445   8.350  -2.078
  280    HA   ALA  37           HA       ALA  37  -0.100   5.795  -2.072
  281   1HB   ALA  37          HB1       ALA  37   1.894   6.746   0.032
  282   2HB   ALA  37          HB2       ALA  37   0.742   5.420   0.233
  283   3HB   ALA  37          HB3       ALA  37   2.031   5.287  -0.980
  284    H    ASN  38           H        ASN  38  -2.130   6.114  -1.218
  285    HA   ASN  38           HA       ASN  38  -2.751   8.598   0.306
  286   1HB   ASN  38          HB2       ASN  38  -3.687   7.819  -2.452
  287   2HB   ASN  38          HB3       ASN  38  -4.882   8.462  -1.327
  288   1HD2  ASN  38          HD21      ASN  38  -1.586   9.286  -2.635
  289   2HD2  ASN  38          HD22      ASN  38  -1.892  11.003  -2.579
  290    H    VAL  39           H        VAL  39  -3.562   7.824   2.143
  291    HA   VAL  39           HA       VAL  39  -4.846   5.201   2.250
  292    HB   VAL  39           HB       VAL  39  -3.118   6.056   3.864
  293   1HG1  VAL  39          HG11      VAL  39  -5.423   7.626   5.091
  294   2HG1  VAL  39          HG12      VAL  39  -3.764   7.480   5.692
  295   3HG1  VAL  39          HG13      VAL  39  -4.078   8.359   4.189
  296   1HG2  VAL  39          HG21      VAL  39  -4.346   4.082   4.371
  297   2HG2  VAL  39          HG22      VAL  39  -4.282   5.085   5.838
  298   3HG2  VAL  39          HG23      VAL  39  -5.773   5.006   4.872
  299    H    ASN  40           H        ASN  40  -6.969   4.750   2.678
  300    HA   ASN  40           HA       ASN  40  -8.890   6.975   2.967
  301   1HB   ASN  40          HB2       ASN  40  -8.722   6.133   0.589
  302   2HB   ASN  40          HB3       ASN  40  -9.315   4.567   1.146
  303   1HD2  ASN  40          HD21      ASN  40 -11.027   5.435  -0.604
  304   2HD2  ASN  40          HD22      ASN  40 -12.428   6.155   0.175
  305    H    LEU  41           H        LEU  41  -8.415   6.140   5.253
  306    HA   LEU  41           HA       LEU  41  -9.579   3.595   5.977
  307   1HB   LEU  41          HB2       LEU  41  -8.932   6.000   7.729
  308   2HB   LEU  41          HB3       LEU  41  -9.380   4.378   8.280
  309    HG   LEU  41           HG       LEU  41  -6.898   5.204   6.750
  310   1HD1  LEU  41          HD11      LEU  41  -7.509   4.766   9.551
  311   2HD1  LEU  41          HD12      LEU  41  -6.255   3.629   9.035
  312   3HD1  LEU  41          HD13      LEU  41  -6.022   5.373   8.807
  313   1HD2  LEU  41          HD21      LEU  41  -6.272   2.700   6.957
  314   2HD2  LEU  41          HD22      LEU  41  -7.985   2.418   7.296
  315   3HD2  LEU  41          HD23      LEU  41  -7.461   3.098   5.737
  316    H    ALA  42           H        ALA  42 -11.046   6.566   5.203
  317    HA   ALA  42           HA       ALA  42 -13.525   6.208   6.650
  318   1HB   ALA  42          HB1       ALA  42 -13.036   7.523   3.944
  319   2HB   ALA  42          HB2       ALA  42 -14.468   7.703   4.973
  320   3HB   ALA  42          HB3       ALA  42 -12.904   8.338   5.521
  321    H    THR  43           H        THR  43 -11.957   4.484   4.048
  322    HA   THR  43           HA       THR  43 -14.373   2.772   3.784
  323    HB   THR  43           HB       THR  43 -12.387   3.352   1.554
  324    HG1  THR  43           HG1      THR  43 -14.640   4.818   2.369
  325   1HG2  THR  43          HG21      THR  43 -15.288   2.417   1.584
  326   2HG2  THR  43          HG22      THR  43 -14.332   2.766   0.126
  327   3HG2  THR  43          HG23      THR  43 -13.875   1.416   1.175
  328    H    GLU  44           H        GLU  44 -11.802   2.696   5.584
  329    HA   GLU  44           HA       GLU  44 -10.105   1.302   6.097
  330   1HB   GLU  44          HB2       GLU  44 -12.298  -0.651   5.287
  331   2HB   GLU  44          HB3       GLU  44 -10.912  -1.054   6.284
  332   1HG   GLU  44          HG2       GLU  44 -11.597   0.736   7.923
  333   2HG   GLU  44          HG3       GLU  44 -13.067   1.000   6.968
  334    H    THR  45           H        THR  45  -9.604   2.314   3.540
  335    HA   THR  45           HA       THR  45  -8.451   0.037   2.025
  336    HB   THR  45           HB       THR  45 -10.405   2.196   1.138
  337    HG1  THR  45           HG1      THR  45 -11.282   0.228   1.817
  338   1HG2  THR  45          HG21      THR  45  -8.666   2.180  -0.621
  339   2HG2  THR  45          HG22      THR  45  -8.861   0.417  -0.776
  340   3HG2  THR  45          HG23      THR  45 -10.197   1.493  -1.171
  341    H    VAL  46           H        VAL  46  -6.743   0.661   0.631
  342    HA   VAL  46           HA       VAL  46  -5.800   3.459   0.919
  343    HB   VAL  46           HB       VAL  46  -4.645   2.146   2.558
  344   1HG1  VAL  46          HG11      VAL  46  -3.131   0.282   1.963
  345   2HG1  VAL  46          HG12      VAL  46  -4.767  -0.124   1.412
  346   3HG1  VAL  46          HG13      VAL  46  -3.552   0.431   0.253
  347   1HG2  VAL  46          HG21      VAL  46  -2.732   2.660   0.256
  348   2HG2  VAL  46          HG22      VAL  46  -3.426   3.963   1.221
  349   3HG2  VAL  46          HG23      VAL  46  -2.414   2.754   2.013
  350    H    ASN  47           H        ASN  47  -4.726   4.257  -0.845
  351    HA   ASN  47           HA       ASN  47  -4.843   2.617  -3.307
  352   1HB   ASN  47          HB2       ASN  47  -6.545   4.392  -3.339
  353   2HB   ASN  47          HB3       ASN  47  -5.316   5.604  -2.946
  354   1HD2  ASN  47          HD21      ASN  47  -3.616   6.071  -4.591
  355   2HD2  ASN  47          HD22      ASN  47  -3.992   5.724  -6.273
  356    H    VAL  48           H        VAL  48  -2.926   2.570  -4.491
  357    HA   VAL  48           HA       VAL  48  -0.856   4.548  -3.844
  358    HB   VAL  48           HB       VAL  48  -0.381   2.810  -2.228
  359   1HG1  VAL  48          HG11      VAL  48  -1.399   0.870  -3.297
  360   2HG1  VAL  48          HG12      VAL  48  -0.155   0.895  -4.573
  361   3HG1  VAL  48          HG13      VAL  48   0.288   0.539  -2.892
  362   1HG2  VAL  48          HG21      VAL  48   1.948   2.260  -2.862
  363   2HG2  VAL  48          HG22      VAL  48   1.631   2.830  -4.511
  364   3HG2  VAL  48          HG23      VAL  48   1.549   3.956  -3.137
  365    H    ILE  49           H        ILE  49   0.415   5.049  -5.508
  366    HA   ILE  49           HA       ILE  49  -0.332   3.944  -8.156
  367    HB   ILE  49           HB       ILE  49   0.881   6.619  -7.408
  368   1HG1  ILE  49          HG12      ILE  49  -1.862   6.193  -8.636
  369   2HG1  ILE  49          HG13      ILE  49  -1.665   6.166  -6.881
  370   1HG2  ILE  49          HG21      ILE  49  -0.120   5.585 -10.110
  371   2HG2  ILE  49          HG22      ILE  49   0.575   7.188  -9.799
  372   3HG2  ILE  49          HG23      ILE  49   1.585   5.757  -9.675
  373   1HD1  ILE  49          HD11      ILE  49  -0.840   8.489  -8.658
  374   2HD1  ILE  49          HD12      ILE  49  -2.296   8.397  -7.643
  375   3HD1  ILE  49          HD13      ILE  49  -0.687   8.400  -6.889
  376    H    TYR  50           H        TYR  50   1.222   2.857  -9.260
  377    HA   TYR  50           HA       TYR  50   4.052   3.380  -8.745
  378   1HB   TYR  50          HB2       TYR  50   4.450   0.914  -8.404
  379   2HB   TYR  50          HB3       TYR  50   3.799   1.736  -7.022
  380    HD1  TYR  50           HD1      TYR  50   1.798   0.858  -6.016
  381    HD2  TYR  50           HD2      TYR  50   2.851  -0.393 -10.006
  382    HE1  TYR  50           HE1      TYR  50   0.201  -1.021  -5.864
  383    HE2  TYR  50           HE2      TYR  50   1.167  -2.186  -9.891
  384    HH   TYR  50           HH       TYR  50  -0.743  -2.823  -6.951
  385    H    ASP  51           H        ASP  51   5.456   1.996 -10.151
  386    HA   ASP  51           HA       ASP  51   4.205   1.799 -12.802
  387   1HB   ASP  51          HB2       ASP  51   6.112   3.270 -12.423
  388   2HB   ASP  51          HB3       ASP  51   7.119   1.893 -12.016
  389    HA   PRO  52           HA       PRO  52   4.348  -2.692 -12.018
  390   1HB   PRO  52          HB2       PRO  52   3.245  -3.588 -14.303
  391   2HB   PRO  52          HB3       PRO  52   2.320  -2.733 -13.037
  392   1HG   PRO  52          HG2       PRO  52   3.516  -1.545 -15.555
  393   2HG   PRO  52          HG3       PRO  52   1.836  -1.376 -14.962
  394   1HD   PRO  52          HD2       PRO  52   3.735   0.495 -14.497
  395   2HD   PRO  52          HD3       PRO  52   2.513   0.112 -13.240
  396    H    ALA  53           H        ALA  53   6.610  -0.990 -13.690
  397    HA   ALA  53           HA       ALA  53   7.802  -3.316 -15.127
  398   1HB   ALA  53          HB1       ALA  53   8.011  -1.041 -16.086
  399   2HB   ALA  53          HB2       ALA  53   8.913  -0.520 -14.646
  400   3HB   ALA  53          HB3       ALA  53   9.584  -1.770 -15.705
  401    H    GLU  54           H        GLU  54   8.393  -1.165 -12.391
  402    HA   GLU  54           HA       GLU  54  10.542  -2.898 -11.275
  403   1HB   GLU  54          HB2       GLU  54   9.571  -0.050 -10.716
  404   2HB   GLU  54          HB3       GLU  54  10.831  -0.864  -9.822
  405   1HG   GLU  54          HG2       GLU  54  11.736  -1.230 -12.405
  406   2HG   GLU  54          HG3       GLU  54  10.873   0.307 -12.565
  407    H    THR  55           H        THR  55   7.446  -1.390 -10.467
  408    HA   THR  55           HA       THR  55   7.292  -2.723  -7.835
  409    HB   THR  55           HB       THR  55   6.243  -0.159  -8.844
  410    HG1  THR  55           HG1      THR  55   8.594  -0.550  -8.021
  411   1HG2  THR  55          HG21      THR  55   5.727   0.241  -6.430
  412   2HG2  THR  55          HG22      THR  55   4.752  -1.050  -7.152
  413   3HG2  THR  55          HG23      THR  55   6.126  -1.479  -6.075
  414    H    GLY  56           H        GLY  56   5.643  -4.145  -7.463
  415   1HA   GLY  56          HA2       GLY  56   3.072  -3.165  -8.137
  416   2HA   GLY  56          HA3       GLY  56   3.367  -4.696  -8.993
  417    H    THR  57           H        THR  57   1.433  -4.900  -7.514
  418    HA   THR  57           HA       THR  57   1.195  -5.188  -4.854
  419    HB   THR  57           HB       THR  57  -0.548  -5.501  -6.461
  420    HG1  THR  57           HG1      THR  57  -0.423  -7.734  -4.742
  421   1HG2  THR  57          HG21      THR  57   0.462  -8.348  -6.874
  422   2HG2  THR  57          HG22      THR  57  -1.029  -7.627  -7.504
  423   3HG2  THR  57          HG23      THR  57   0.538  -7.041  -8.082
  424    H    ALA  58           H        ALA  58   2.827  -7.529  -6.992
  425    HA   ALA  58           HA       ALA  58   3.498  -9.591  -5.296
  426   1HB   ALA  58          HB1       ALA  58   5.531  -9.799  -6.745
  427   2HB   ALA  58          HB2       ALA  58   4.073  -9.463  -7.701
  428   3HB   ALA  58          HB3       ALA  58   5.235  -8.157  -7.372
  429    H    ALA  59           H        ALA  59   5.286  -6.474  -5.577
  430    HA   ALA  59           HA       ALA  59   7.346  -7.342  -3.637
  431   1HB   ALA  59          HB1       ALA  59   6.880  -4.685  -5.076
  432   2HB   ALA  59          HB2       ALA  59   8.279  -5.100  -4.065
  433   3HB   ALA  59          HB3       ALA  59   8.004  -5.961  -5.592
  434    H    ILE  60           H        ILE  60   4.527  -5.313  -4.058
  435    HA   ILE  60           HA       ILE  60   4.689  -3.873  -1.675
  436    HB   ILE  60           HB       ILE  60   2.805  -4.297  -3.866
  437   1HG1  ILE  60          HG12      ILE  60   3.358  -1.888  -2.198
  438   2HG1  ILE  60          HG13      ILE  60   4.494  -2.447  -3.444
  439   1HG2  ILE  60          HG21      ILE  60   1.177  -4.841  -2.167
  440   2HG2  ILE  60          HG22      ILE  60   1.635  -3.436  -1.198
  441   3HG2  ILE  60          HG23      ILE  60   0.863  -3.232  -2.786
  442   1HD1  ILE  60          HD11      ILE  60   1.652  -1.481  -3.927
  443   2HD1  ILE  60          HD12      ILE  60   3.170  -0.703  -4.402
  444   3HD1  ILE  60          HD13      ILE  60   2.698  -2.237  -5.158
  445    H    GLN  61           H        GLN  61   2.681  -6.872  -2.187
  446    HA   GLN  61           HA       GLN  61   1.798  -7.184   0.458
  447   1HB   GLN  61          HB2       GLN  61   2.638  -9.217  -1.637
  448   2HB   GLN  61          HB3       GLN  61   2.217  -9.688   0.017
  449   1HG   GLN  61          HG2       GLN  61   0.295 -10.076  -1.184
  450   2HG   GLN  61          HG3       GLN  61  -0.018  -8.629  -0.228
  451   1HE2  GLN  61          HE21      GLN  61   0.071  -6.527  -1.404
  452   2HE2  GLN  61          HE22      GLN  61  -0.351  -6.528  -3.114
  453    H    GLU  62           H        GLU  62   4.847  -8.391  -0.974
  454    HA   GLU  62           HA       GLU  62   6.019  -9.507   1.242
  455   1HB   GLU  62          HB2       GLU  62   6.793  -8.929  -1.345
  456   2HB   GLU  62          HB3       GLU  62   7.834  -7.801  -0.493
  457   1HG   GLU  62          HG2       GLU  62   7.672 -10.786   0.171
  458   2HG   GLU  62          HG3       GLU  62   8.710 -10.117  -1.099
  459    H    LYS  63           H        LYS  63   6.258  -5.995   0.397
  460    HA   LYS  63           HA       LYS  63   7.665  -5.547   2.893
  461   1HB   LYS  63          HB2       LYS  63   7.027  -3.997   0.498
  462   2HB   LYS  63          HB3       LYS  63   6.606  -3.122   1.956
  463   1HG   LYS  63          HG2       LYS  63   8.893  -2.614   1.404
  464   2HG   LYS  63          HG3       LYS  63   8.909  -3.569   2.879
  465   1HD   LYS  63          HD2       LYS  63   9.037  -5.276   0.461
  466   2HD   LYS  63          HD3       LYS  63  10.319  -4.062   0.466
  467   1HE   LYS  63          HE2       LYS  63  11.110  -4.814   2.669
  468   2HE   LYS  63          HE3       LYS  63   9.806  -6.015   2.755
  469   1HZ   LYS  63          HZ1       LYS  63  10.690  -7.111   0.865
  470   2HZ   LYS  63          HZ2       LYS  63  11.923  -6.034   0.706
  471   3HZ   LYS  63          HZ3       LYS  63  11.812  -7.035   2.013
  472    H    ILE  64           H        ILE  64   4.222  -5.192   1.895
  473    HA   ILE  64           HA       ILE  64   3.300  -3.814   4.092
  474    HB   ILE  64           HB       ILE  64   1.976  -6.000   2.450
  475   1HG1  ILE  64          HG12      ILE  64   2.552  -3.755   1.337
  476   2HG1  ILE  64          HG13      ILE  64   0.912  -4.397   1.214
  477   1HG2  ILE  64          HG21      ILE  64   0.834  -6.002   4.543
  478   2HG2  ILE  64          HG22      ILE  64   0.919  -4.221   4.666
  479   3HG2  ILE  64          HG23      ILE  64  -0.135  -5.005   3.472
  480   1HD1  ILE  64          HD11      ILE  64   0.254  -2.815   3.093
  481   2HD1  ILE  64          HD12      ILE  64   1.911  -2.148   2.946
  482   3HD1  ILE  64          HD13      ILE  64   0.741  -2.070   1.604
  483    H    GLU  65           H        GLU  65   3.819  -7.383   3.655
  484    HA   GLU  65           HA       GLU  65   2.954  -8.330   6.176
  485   1HB   GLU  65          HB2       GLU  65   5.038  -9.216   4.181
  486   2HB   GLU  65          HB3       GLU  65   4.700 -10.133   5.660
  487   1HG   GLU  65          HG2       GLU  65   2.524  -9.371   3.658
  488   2HG   GLU  65          HG3       GLU  65   3.427 -10.884   3.577
  489    H    LYS  66           H        LYS  66   6.095  -6.938   5.190
  490    HA   LYS  66           HA       LYS  66   7.321  -7.472   7.739
  491   1HB   LYS  66          HB2       LYS  66   8.320  -7.180   5.364
  492   2HB   LYS  66          HB3       LYS  66   8.279  -5.453   5.722
  493   1HG   LYS  66          HG2       LYS  66  10.016  -5.605   7.233
  494   2HG   LYS  66          HG3       LYS  66   9.481  -7.134   7.911
  495   1HD   LYS  66          HD2       LYS  66  10.845  -6.849   5.208
  496   2HD   LYS  66          HD3       LYS  66  11.682  -7.255   6.709
  497   1HE   LYS  66          HE2       LYS  66   9.362  -9.028   6.352
  498   2HE   LYS  66          HE3       LYS  66  10.324  -9.031   4.876
  499   1HZ   LYS  66          HZ1       LYS  66  12.235  -9.634   6.208
  500   2HZ   LYS  66          HZ2       LYS  66  11.326  -9.617   7.586
  501   3HZ   LYS  66          HZ3       LYS  66  11.013 -10.713   6.401
  502    H    LEU  67           H        LEU  67   5.673  -4.648   6.260
  503    HA   LEU  67           HA       LEU  67   6.120  -2.810   8.381
  504   1HB   LEU  67          HB2       LEU  67   4.012  -3.223   6.241
  505   2HB   LEU  67          HB3       LEU  67   3.689  -2.092   7.517
  506    HG   LEU  67           HG       LEU  67   4.500  -0.996   5.603
  507   1HD1  LEU  67          HD11      LEU  67   6.790  -0.873   7.593
  508   2HD1  LEU  67          HD12      LEU  67   6.147   0.432   6.586
  509   3HD1  LEU  67          HD13      LEU  67   5.177  -0.196   7.932
  510   1HD2  LEU  67          HD21      LEU  67   7.018  -2.655   5.682
  511   2HD2  LEU  67          HD22      LEU  67   5.785  -2.505   4.395
  512   3HD2  LEU  67          HD23      LEU  67   6.830  -1.143   4.775
  513    H    GLY  68           H        GLY  68   4.323  -5.806   8.314
  514   1HA   GLY  68          HA2       GLY  68   3.853  -6.925  10.283
  515   2HA   GLY  68          HA3       GLY  68   3.747  -5.409  11.186
  516    H    TYR  69           H        TYR  69   2.133  -5.980   8.047
  517    HA   TYR  69           HA       TYR  69  -0.497  -6.447   9.370
  518   1HB   TYR  69          HB2       TYR  69   0.047  -4.250   7.334
  519   2HB   TYR  69          HB3       TYR  69  -1.528  -4.679   7.990
  520    HD1  TYR  69           HD1      TYR  69   1.800  -3.248   8.825
  521    HD2  TYR  69           HD2      TYR  69  -2.303  -3.667  10.039
  522    HE1  TYR  69           HE1      TYR  69   2.177  -1.599  10.592
  523    HE2  TYR  69           HE2      TYR  69  -1.974  -1.884  11.735
  524    HH   TYR  69           HH       TYR  69   1.201  -0.342  12.281
  525    H    HIS  70           H        HIS  70  -2.150  -6.950   7.382
  526    HA   HIS  70           HA       HIS  70  -0.616  -7.920   5.081
  527   1HB   HIS  70          HB2       HIS  70  -1.559  -9.886   4.944
  528   2HB   HIS  70          HB3       HIS  70  -1.152  -9.838   6.647
  529    HD1  HIS  70           HD1      HIS  70  -3.749 -11.063   4.503
  530    HD2  HIS  70           HD2      HIS  70  -3.611  -8.965   8.130
  531    HE1  HIS  70           HE1      HIS  70  -5.999 -11.452   5.656
  532    H    VAL  71           H        VAL  71  -1.385  -7.285   3.303
  533    HA   VAL  71           HA       VAL  71  -3.866  -5.669   3.186
  534    HB   VAL  71           HB       VAL  71  -1.825  -4.720   2.236
  535   1HG1  VAL  71          HG11      VAL  71  -0.862  -5.574   0.155
  536   2HG1  VAL  71          HG12      VAL  71  -0.685  -6.784   1.433
  537   3HG1  VAL  71          HG13      VAL  71  -1.940  -6.979   0.186
  538   1HG2  VAL  71          HG21      VAL  71  -3.919  -3.978   1.359
  539   2HG2  VAL  71          HG22      VAL  71  -2.666  -4.011   0.122
  540   3HG2  VAL  71          HG23      VAL  71  -3.915  -5.267   0.121
  541    H    VAL  72           H        VAL  72  -5.548  -6.142   1.677
  542    HA   VAL  72           HA       VAL  72  -5.579  -8.980   0.679
  543    HB   VAL  72           HB       VAL  72  -8.183  -8.459   0.780
  544   1HG1  VAL  72          HG11      VAL  72  -7.131 -10.387   1.752
  545   2HG1  VAL  72          HG12      VAL  72  -6.495  -9.403   3.104
  546   3HG1  VAL  72          HG13      VAL  72  -8.254  -9.646   2.914
  547   1HG2  VAL  72          HG21      VAL  72  -7.872  -6.240   1.794
  548   2HG2  VAL  72          HG22      VAL  72  -8.844  -7.318   2.810
  549   3HG2  VAL  72          HG23      VAL  72  -7.157  -6.988   3.260
  550    H    ILE  73           H        ILE  73  -5.202  -8.976  -1.405
  551    HA   ILE  73           HA       ILE  73  -6.287  -6.857  -3.169
  552    HB   ILE  73           HB       ILE  73  -4.907  -9.458  -3.936
  553   1HG1  ILE  73          HG12      ILE  73  -3.331  -8.244  -2.534
  554   2HG1  ILE  73          HG13      ILE  73  -2.842  -8.250  -4.221
  555   1HG2  ILE  73          HG21      ILE  73  -4.463  -8.184  -6.048
  556   2HG2  ILE  73          HG22      ILE  73  -6.191  -8.412  -5.750
  557   3HG2  ILE  73          HG23      ILE  73  -5.457  -6.847  -5.424
  558   1HD1  ILE  73          HD11      ILE  73  -4.207  -5.913  -2.811
  559   2HD1  ILE  73          HD12      ILE  73  -2.478  -6.053  -3.143
  560   3HD1  ILE  73          HD13      ILE  73  -3.611  -5.917  -4.491
  561    H    GLU  74           H        GLU  74  -8.361  -7.371  -2.101
  562    HA   GLU  74           HA       GLU  74  -9.801  -9.349  -3.812
  563   1HB   GLU  74          HB2       GLU  74 -10.084  -9.368  -1.072
  564   2HB   GLU  74          HB3       GLU  74 -11.295  -8.161  -1.522
  565   1HG   GLU  74          HG2       GLU  74 -11.971  -9.997  -3.357
  566   2HG   GLU  74          HG3       GLU  74 -11.106 -11.089  -2.271
  567    H    GLY  75           H        GLY  75 -11.794  -8.444  -4.683
  568   1HA   GLY  75          HA2       GLY  75 -13.144  -6.451  -5.152
  569   2HA   GLY  75          HA3       GLY  75 -11.665  -5.479  -5.172
  570    H    ARG  76           H        ARG  76  -9.934  -6.126  -6.838
  571    HA   ARG  76           HA       ARG  76 -10.437  -7.770  -8.990
  572   1HB   ARG  76          HB2       ARG  76 -12.169  -5.705  -9.288
  573   2HB   ARG  76          HB3       ARG  76 -10.741  -4.853  -9.811
  574   1HG   ARG  76          HG2       ARG  76 -10.951  -7.464 -11.161
  575   2HG   ARG  76          HG3       ARG  76 -12.500  -6.627 -11.246
  576   1HD   ARG  76          HD2       ARG  76 -11.139  -6.108 -13.198
  577   2HD   ARG  76          HD3       ARG  76 -11.379  -4.637 -12.227
  578    HE   ARG  76           HE       ARG  76  -9.150  -5.446 -11.101
  579   1HH1  ARG  76          HH22      ARG  76  -9.549  -5.531 -14.600
  580   2HH1  ARG  76          HH21      ARG  76  -7.955  -6.181 -14.867
  581   1HH2  ARG  76          HH12      ARG  76  -7.336  -6.301 -11.338
  582   2HH2  ARG  76          HH11      ARG  76  -6.531  -6.578 -12.887