*HEADER    ONCOPROTEIN, VIRUS/VIRAL PROTEIN        04-NOV-05   2EWL              
*TITLE     SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN (MONOMER) OF              
*TITLE    2 THE HPV45 ONCOPROTEIN E7                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN E7;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN, RESIDUES 55-106;                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN PAPILLOMAVIRUS;                           
*SOURCE   3 ORGANISM_COMMON: VIRUS;                                              
*SOURCE   4 STRAIN: HPV TYPE 45;                                                 
*SOURCE   5 GENE: E7;                                                            
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIL;                   
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    E7, HPV, ONCOPROTEIN, ZINC BINDING                                    
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    O.OHLENSCHLAGER, M.GORLACH                                            
*REVDAT   1   17-OCT-06 2EWL    0                                                
  4 MET  HA      5 ALA  HN      2.80 
  4 MET  HA      5 ALA  QB      6.72 
  4 MET  HB2     5 ALA  HN      5.40 
  4 MET  HB3     5 ALA  HN      5.40 
  5 ALA  HA      6 GLU- HN      2.80 
  5 ALA  HN      5 ALA  HA      2.80 
  5 ALA  HN      6 GLU- HA      5.40 
  5 ALA  HN      6 GLU- HN      4.30 
  5 ALA  QB      6 GLU- HG2     6.72 
  5 ALA  QB      6 GLU- HG3     6.72 
  5 ALA  QB      6 GLU- HN      4.92 
  6 GLU- HA      7 PRO  HG2     5.40 
  6 GLU- HA      7 PRO  HG3     5.40 
  6 GLU- HG2     7 PRO  HD2     5.40 
  6 GLU- HG2     7 PRO  HD3     5.40 
  6 GLU- HG3     7 PRO  HD2     5.40 
  6 GLU- HG3     7 PRO  HD3     5.40 
  6 GLU- HN      6 GLU- HG2     5.40 
  6 GLU- HN      6 GLU- HG3     5.40 
  6 GLU- HN      7 PRO  HD2     5.40 
  6 GLU- HN      7 PRO  HD3     5.40 
  6 GLU- HN      9 ARG+ HB2     5.40 
  6 GLU- HN      9 ARG+ HB3     5.40 
  6 GLU- HN      9 ARG+ HN      5.70 
  7 PRO  HA      8 GLN  HN      2.80 
  7 PRO  HA     30 SER  HA      5.40 
  8 GLN  HA      8 GLN  HG2     3.60 
  8 GLN  HA      8 GLN  HG3     3.60 
  8 GLN  HA     10 HIS  HN      5.40 
  8 GLN  HA     29 SER  HN      5.40 
  8 GLN  HB2     9 ARG+ HN      5.40 
  8 GLN  HB3     9 ARG+ HN      5.40 
  8 GLN  HE21   10 HIS  HE1     5.40 
  8 GLN  HE22   10 HIS  HE1     5.40 
  8 GLN  HG2     9 ARG+ HN      5.40 
  8 GLN  HG3     9 ARG+ HN      5.40 
  8 GLN  HN      8 GLN  HG2     5.40 
  8 GLN  HN      8 GLN  HG3     5.40 
  8 GLN  HN      9 ARG+ HN      4.30 
  8 GLN  HN     10 HIS  HD2     5.40 
  8 GLN  HN     28 GLU- HA      5.40 
  8 GLN  HN     29 SER  HN      5.70 
  9 ARG+ HA      9 ARG+ HD2     5.40 
  9 ARG+ HA      9 ARG+ HD3     5.40 
  9 ARG+ HA      9 ARG+ HG2     3.60 
  9 ARG+ HA      9 ARG+ HG3     3.60 
  9 ARG+ HA     10 HIS  HN      2.80 
  9 ARG+ HA     26 THR  QG2     6.72 
  9 ARG+ HA     27 VAL  HN      5.40 
  9 ARG+ HA     28 GLU- HA      3.60 
  9 ARG+ HA     28 GLU- HG2     5.40 
  9 ARG+ HA     28 GLU- HG3     5.40 
  9 ARG+ HA     28 GLU- HN      5.40 
  9 ARG+ HA     29 SER  HN      5.40 
  9 ARG+ HB2     9 ARG+ HG2     2.80 
  9 ARG+ HB2     9 ARG+ HG3     2.80 
  9 ARG+ HB2    10 HIS  HN      5.40 
  9 ARG+ HB2    26 THR  QG2     6.72 
  9 ARG+ HB3     9 ARG+ HG2     2.80 
  9 ARG+ HB3     9 ARG+ HG3     2.80 
  9 ARG+ HB3    10 HIS  HN      5.40 
  9 ARG+ HB3    26 THR  QG2     6.72 
  9 ARG+ HD2    26 THR  QG2     6.72 
  9 ARG+ HD3    26 THR  QG2     6.72 
  9 ARG+ HG2    10 HIS  HN      5.40 
  9 ARG+ HG2    26 THR  QG2     6.72 
  9 ARG+ HG2    28 GLU- HG2     5.40 
  9 ARG+ HG2    28 GLU- HG3     5.40 
  9 ARG+ HG3    10 HIS  HN      5.40 
  9 ARG+ HG3    26 THR  QG2     6.72 
  9 ARG+ HG3    28 GLU- HG2     5.40 
  9 ARG+ HG3    28 GLU- HG3     5.40 
  9 ARG+ HN      9 ARG+ HB2     3.60 
  9 ARG+ HN      9 ARG+ HB3     3.60 
  9 ARG+ HN      9 ARG+ HG2     5.40 
  9 ARG+ HN      9 ARG+ HG3     5.40 
  9 ARG+ HN     10 HIS  HN      4.30 
  9 ARG+ HN     28 GLU- HA      5.40 
  9 ARG+ HN     28 GLU- HB2     5.40 
  9 ARG+ HN     28 GLU- HB3     5.40 
  9 ARG+ HN     29 SER  HN      5.70 
 10 HIS  HA     11 LYS+ HN      2.80 
 10 HIS  HA     27 VAL  HN      5.40 
 10 HIS  HB2    11 LYS+ HN      5.40 
 10 HIS  HB2    12 ILE  HN      5.40 
 10 HIS  HB2    12 ILE  QD1     6.72 
 10 HIS  HB2    27 VAL  HN      5.40 
 10 HIS  HB2    34 LEU  QD1     6.72 
 10 HIS  HB2    34 LEU  QD2     6.72 
 10 HIS  HB3    11 LYS+ HN      5.40 
 10 HIS  HB3    12 ILE  HN      5.40 
 10 HIS  HB3    12 ILE  QD1     6.72 
 10 HIS  HB3    27 VAL  HN      5.40 
 10 HIS  HB3    34 LEU  QD1     6.72 
 10 HIS  HB3    34 LEU  QD2     6.72 
 10 HIS  HD2    11 LYS+ HN      5.40 
 10 HIS  HD2    29 SER  HN      5.40 
 10 HIS  HN     10 HIS  HD2     5.40 
 10 HIS  HN     11 LYS+ HA      5.40 
 10 HIS  HN     11 LYS+ HN      5.70 
 10 HIS  HN     26 THR  HA      5.40 
 10 HIS  HN     26 THR  QG2     6.72 
 10 HIS  HN     27 VAL  HA      5.40 
 10 HIS  HN     27 VAL  HN      4.30 
 10 HIS  HN     28 GLU- HA      3.60 
 10 HIS  HN     28 GLU- HB2     5.40 
 10 HIS  HN     28 GLU- HB3     5.40 
 10 HIS  HN     28 GLU- HG2     5.40 
 10 HIS  HN     28 GLU- HG3     5.40 
 10 HIS  HN     28 GLU- HN      5.70 
 10 HIS  HN     29 SER  HN      4.30 
 11 LYS+ HA     11 LYS+ HD2     5.40 
 11 LYS+ HA     11 LYS+ HD3     5.40 
 11 LYS+ HA     11 LYS+ HG2     3.60 
 11 LYS+ HA     11 LYS+ HG3     3.60 
 11 LYS+ HA     12 ILE  HA      5.40 
 11 LYS+ HA     12 ILE  HB      5.40 
 11 LYS+ HA     12 ILE  HG12    5.40 
 11 LYS+ HA     12 ILE  HG13    5.40 
 11 LYS+ HA     12 ILE  QD1     6.72 
 11 LYS+ HA     13 LEU  HN      5.40 
 11 LYS+ HA     25 LEU  HN      5.40 
 11 LYS+ HA     26 THR  HA      5.40 
 11 LYS+ HA     26 THR  HN      5.40 
 11 LYS+ HA     26 THR  QG2     6.72 
 11 LYS+ HA     27 VAL  HN      3.60 
 11 LYS+ HB2    12 ILE  HN      5.40 
 11 LYS+ HB2    13 LEU  HN      5.40 
 11 LYS+ HB3    12 ILE  HN      5.40 
 11 LYS+ HB3    13 LEU  HN      5.40 
 11 LYS+ HD2    26 THR  HA      5.40 
 11 LYS+ HD2    26 THR  QG2     6.72 
 11 LYS+ HD3    26 THR  HA      5.40 
 11 LYS+ HD3    26 THR  QG2     6.72 
 11 LYS+ HE2    26 THR  QG2     6.72 
 11 LYS+ HE3    26 THR  QG2     6.72 
 11 LYS+ HG2    12 ILE  HN      5.40 
 11 LYS+ HG2    26 THR  QG2     6.72 
 11 LYS+ HG3    12 ILE  HN      5.40 
 11 LYS+ HG3    26 THR  QG2     6.72 
 11 LYS+ HN     11 LYS+ HD2     5.40 
 11 LYS+ HN     11 LYS+ HD3     5.40 
 11 LYS+ HN     11 LYS+ HE2     5.40 
 11 LYS+ HN     11 LYS+ HE3     5.40 
 11 LYS+ HN     11 LYS+ HG2     5.40 
 11 LYS+ HN     11 LYS+ HG3     5.40 
 11 LYS+ HN     12 ILE  HA      5.40 
 11 LYS+ HN     12 ILE  HN      4.30 
 11 LYS+ HN     12 ILE  QD1     6.72 
 11 LYS+ HN     26 THR  HA      5.40 
 12 ILE  HA     12 ILE  QD1     4.92 
 12 ILE  HA     13 LEU  HA      5.40 
 12 ILE  HB     13 LEU  HN      5.40 
 12 ILE  HB     14 CYS  HN      5.40 
 12 ILE  HB     25 LEU  HB2     5.40 
 12 ILE  HB     25 LEU  HB3     5.40 
 12 ILE  HB     25 LEU  HG      5.40 
 12 ILE  HB     25 LEU  HN      5.40 
 12 ILE  HB     25 LEU  QD1     6.72 
 12 ILE  HB     25 LEU  QD2     6.72 
 12 ILE  HB     27 VAL  HN      5.40 
 12 ILE  HN     12 ILE  HB      3.60 
 12 ILE  HN     12 ILE  QD1     6.72 
 12 ILE  HN     12 ILE  QG2     6.72 
 12 ILE  HN     13 LEU  HA      5.40 
 12 ILE  HN     13 LEU  HN      4.30 
 12 ILE  HN     25 LEU  HB2     5.40 
 12 ILE  HN     25 LEU  HB3     5.40 
 12 ILE  HN     25 LEU  HN      5.70 
 12 ILE  HN     26 THR  HA      5.40 
 12 ILE  HN     27 VAL  HN      4.30 
 12 ILE  QD1    13 LEU  HN      6.72 
 12 ILE  QD1    25 LEU  HB2     6.72 
 12 ILE  QD1    25 LEU  HB3     6.72 
 12 ILE  QD1    25 LEU  HG      6.72 
 12 ILE  QD1    25 LEU  QD1     8.74 
 12 ILE  QD1    25 LEU  QD2     8.74 
 12 ILE  QD1    27 VAL  HB      8.92 
 12 ILE  QD1    27 VAL  HN      6.72 
 12 ILE  QD1    34 LEU  HG      6.72 
 12 ILE  QD1    34 LEU  QD1     8.74 
 12 ILE  QD1    34 LEU  QD2     8.74 
 12 ILE  QD1    37 LEU  HG      6.72 
 12 ILE  QD1    37 LEU  QD1     8.74 
 12 ILE  QD1    37 LEU  QD2     8.74 
 12 ILE  QD1    38 GLN  HA      6.72 
 12 ILE  QD1    41 PHE  QD      8.85 
 12 ILE  QD1    41 PHE  QE      8.85 
 12 ILE  QG2    13 LEU  HN      6.72 
 12 ILE  QG2    13 LEU  QD1     8.74 
 12 ILE  QG2    13 LEU  QD2     8.74 
 12 ILE  QG2    14 CYS  HB2     6.72 
 12 ILE  QG2    14 CYS  HB3     6.72 
 12 ILE  QG2    14 CYS  HN      6.72 
 12 ILE  QG2    25 LEU  HB2     6.72 
 12 ILE  QG2    25 LEU  HB3     6.72 
 12 ILE  QG2    25 LEU  HN      6.72 
 12 ILE  QG2    27 VAL  QG1     8.74 
 12 ILE  QG2    27 VAL  QG2     8.74 
 12 ILE  QG2    34 LEU  QD1     8.74 
 12 ILE  QG2    34 LEU  QD2     8.74 
 12 ILE  QG2    41 PHE  QD      8.85 
 12 ILE  QG2    41 PHE  QE      8.85 
 12 ILE  QG2    41 PHE  HZ      8.92 
 13 LEU  HA     13 LEU  QD1     6.72 
 13 LEU  HA     13 LEU  QD2     6.72 
 13 LEU  HA     14 CYS  HN      2.80 
 13 LEU  HA     23 ILE  HN      5.40 
 13 LEU  HA     24 GLU- HG2     5.40 
 13 LEU  HA     24 GLU- HG3     5.40 
 13 LEU  HA     24 GLU- HN      5.40 
 13 LEU  HA     25 LEU  HN      3.60 
 13 LEU  HG     14 CYS  HN      5.40 
 13 LEU  HG     22 ARG+ HD2     5.40 
 13 LEU  HG     22 ARG+ HD3     5.40 
 13 LEU  HN     13 LEU  HA      2.80 
 13 LEU  HN     13 LEU  HB2     3.60 
 13 LEU  HN     13 LEU  HB3     3.60 
 13 LEU  HN     13 LEU  HG      5.40 
 13 LEU  HN     13 LEU  QD1     6.72 
 13 LEU  HN     13 LEU  QD2     6.72 
 13 LEU  HN     14 CYS  HA      5.40 
 13 LEU  HN     14 CYS  HN      4.30 
 13 LEU  HN     24 GLU- HA      5.40 
 13 LEU  HN     25 LEU  HG      5.40 
 13 LEU  HN     25 LEU  HN      4.30 
 13 LEU  QD1    14 CYS  HN      6.72 
 13 LEU  QD1    22 ARG+ HB2     6.72 
 13 LEU  QD1    22 ARG+ HB3     6.72 
 13 LEU  QD1    22 ARG+ HD2     6.72 
 13 LEU  QD1    22 ARG+ HD3     6.72 
 13 LEU  QD1    23 ILE  QG2     8.74 
 13 LEU  QD1    24 GLU- HA      6.72 
 13 LEU  QD2    14 CYS  HN      6.72 
 13 LEU  QD2    22 ARG+ HB2     6.72 
 13 LEU  QD2    22 ARG+ HB3     6.72 
 13 LEU  QD2    22 ARG+ HD2     6.72 
 13 LEU  QD2    22 ARG+ HD3     6.72 
 13 LEU  QD2    23 ILE  QG2     8.74 
 13 LEU  QD2    24 GLU- HA      6.72 
 14 CYS  HA     15 VAL  QG1     6.72 
 14 CYS  HA     15 VAL  QG2     6.72 
 14 CYS  HA     23 ILE  HN      5.40 
 14 CYS  HB2    15 VAL  HN      5.40 
 14 CYS  HB2    23 ILE  HB      5.40 
 14 CYS  HB2    23 ILE  QG2     6.72 
 14 CYS  HB3    15 VAL  HN      5.40 
 14 CYS  HB3    23 ILE  HB      5.40 
 14 CYS  HB3    23 ILE  QG2     6.72 
 14 CYS  HN     15 VAL  HN      5.70 
 14 CYS  HN     23 ILE  HB      5.40 
 14 CYS  HN     23 ILE  HN      4.30 
 14 CYS  HN     23 ILE  QG2     6.72 
 14 CYS  HN     24 GLU- HA      5.40 
 14 CYS  HN     24 GLU- HN      5.70 
 14 CYS  HN     25 LEU  HA      5.40 
 14 CYS  HN     25 LEU  HG      5.40 
 14 CYS  HN     25 LEU  HN      5.70 
 15 VAL  HA     16 CYSM HN      2.80 
 15 VAL  HA     23 ILE  HN      3.60 
 15 VAL  HB     16 CYSM HN      3.60 
 15 VAL  HB     20 ASP- HA      5.40 
 15 VAL  HB     21 GLY  HN      5.40 
 15 VAL  HB     22 ARG+ HA      5.40 
 15 VAL  HB     22 ARG+ HN      5.40 
 15 VAL  HN     16 CYSM HN      5.70 
 15 VAL  HN     23 ILE  HB      5.40 
 15 VAL  HN     23 ILE  HN      5.70 
 15 VAL  HN     23 ILE  QD1     6.72 
 15 VAL  QG1    22 ARG+ HA      6.72 
 15 VAL  QG2    22 ARG+ HA      6.72 
 16 CYSM HA     17 CYS  HN      2.80 
 16 CYSM HA     18 LYS+ HN      5.40 
 16 CYSM HA     19 CYSS HN      5.40 
 16 CYSM HA     20 ASP- HN      5.40 
 16 CYSM HA     21 GLY  HN      5.40 
 16 CYSM HA     23 ILE  QD1     4.92 
 16 CYSM HA     47 PHE  HB2     5.40 
 16 CYSM HA     47 PHE  HB3     5.40 
 16 CYSM HA     47 PHE  QD      7.53 
 16 CYSM HA     47 PHE  HN      5.40 
 16 CYSM HA     48 VAL  HN      5.40 
 16 CYSM HA     49 CYSS HN      5.40 
 16 CYSM HB2    17 CYS  HN      5.40 
 16 CYSM HB2    18 LYS+ HN      5.40 
 16 CYSM HB2    20 ASP- HN      5.40 
 16 CYSM HB2    21 GLY  HN      5.40 
 16 CYSM HB2    23 ILE  QD1     6.72 
 16 CYSM HB2    49 CYSS HB2     7.60 
 16 CYSM HB2    49 CYSS HB3     7.60 
 16 CYSM HB2    49 CYSS HN      5.40 
 16 CYSM HB3    17 CYS  HN      5.40 
 16 CYSM HB3    18 LYS+ HN      5.40 
 16 CYSM HB3    20 ASP- HN      5.40 
 16 CYSM HB3    21 GLY  HN      5.40 
 16 CYSM HB3    23 ILE  QD1     6.72 
 16 CYSM HB3    49 CYSS HB2     7.60 
 16 CYSM HB3    49 CYSS HB3     7.60 
 16 CYSM HB3    49 CYSS HN      5.40 
 16 CYSM HN     16 CYSM HB2     3.60 
 16 CYSM HN     16 CYSM HB3     3.60 
 16 CYSM HN     17 CYS  HN      5.70 
 16 CYSM HN     20 ASP- HA      5.40 
 16 CYSM HN     20 ASP- HN      5.70 
 16 CYSM HN     21 GLY  HA1     5.40 
 16 CYSM HN     21 GLY  HA2     5.40 
 16 CYSM HN     21 GLY  HN      4.30 
 16 CYSM HN     22 ARG+ HA      5.40 
 16 CYSM HN     22 ARG+ HN      5.70 
 16 CYSM HN     23 ILE  HB      5.40 
 16 CYSM HN     23 ILE  HN      4.30 
 16 CYSM HN     23 ILE  QD1     6.72 
 17 CYS  HA     18 LYS+ HA      5.40 
 17 CYS  HA     19 CYSS HN      5.40 
 17 CYS  HA     20 ASP- HN      5.40 
 17 CYS  HA     46 SER  HB2     5.40 
 17 CYS  HA     46 SER  HB3     5.40 
 17 CYS  HB2    18 LYS+ HN      5.40 
 17 CYS  HB2    46 SER  HB2     5.40 
 17 CYS  HB2    46 SER  HB3     5.40 
 17 CYS  HB2    47 PHE  HN      5.40 
 17 CYS  HB3    18 LYS+ HN      5.40 
 17 CYS  HB3    46 SER  HB2     5.40 
 17 CYS  HB3    46 SER  HB3     5.40 
 17 CYS  HB3    47 PHE  HN      5.40 
 17 CYS  HN     17 CYS  HB2     3.60 
 17 CYS  HN     17 CYS  HB3     3.60 
 17 CYS  HN     18 LYS+ HG2     5.40 
 17 CYS  HN     18 LYS+ HG3     5.40 
 17 CYS  HN     18 LYS+ HN      4.30 
 17 CYS  HN     19 CYSS HN      5.70 
 17 CYS  HN     21 GLY  HN      5.70 
 17 CYS  HN     23 ILE  QD1     6.72 
 17 CYS  HN     46 SER  HB2     5.40 
 17 CYS  HN     46 SER  HB3     5.40 
 17 CYS  HN     47 PHE  HN      5.70 
 17 CYS  HN     48 VAL  HA      5.40 
 18 LYS+ HA     20 ASP- HN      5.40 
 18 LYS+ HB2    18 LYS+ HE2     5.40 
 18 LYS+ HB2    18 LYS+ HE3     5.40 
 18 LYS+ HB2    19 CYSS HN      5.40 
 18 LYS+ HB3    18 LYS+ HE2     5.40 
 18 LYS+ HB3    18 LYS+ HE3     5.40 
 18 LYS+ HB3    19 CYSS HN      5.40 
 18 LYS+ HD2    19 CYSS HN      5.40 
 18 LYS+ HD2    56 CGLN HA      5.40 
 18 LYS+ HD3    19 CYSS HN      5.40 
 18 LYS+ HD3    56 CGLN HA      5.40 
 18 LYS+ HE2    48 VAL  QG1     6.72 
 18 LYS+ HE2    48 VAL  QG2     6.72 
 18 LYS+ HE3    48 VAL  QG1     6.72 
 18 LYS+ HE3    48 VAL  QG2     6.72 
 18 LYS+ HG2    48 VAL  QG1     6.72 
 18 LYS+ HG2    48 VAL  QG2     6.72 
 18 LYS+ HG2    52 CYSS HB2     5.40 
 18 LYS+ HG2    52 CYSS HB3     5.40 
 18 LYS+ HG2    53 ALA  QB      8.92 
 18 LYS+ HG3    48 VAL  QG1     6.72 
 18 LYS+ HG3    48 VAL  QG2     6.72 
 18 LYS+ HG3    52 CYSS HB2     5.40 
 18 LYS+ HG3    52 CYSS HB3     5.40 
 18 LYS+ HG3    53 ALA  QB      8.92 
 18 LYS+ HN     18 LYS+ HB2     3.60 
 18 LYS+ HN     18 LYS+ HB3     3.60 
 18 LYS+ HN     19 CYSS HA      5.40 
 18 LYS+ HN     19 CYSS HN      4.30 
 18 LYS+ HN     20 ASP- HN      4.30 
 18 LYS+ HN     21 GLY  HN      5.40 
 18 LYS+ HN     48 VAL  HA      5.40 
 18 LYS+ HN     48 VAL  QG1     6.72 
 18 LYS+ HN     48 VAL  QG2     6.72 
 18 LYS+ HN     49 CYSS HN      5.70 
 19 CYSS HA     19 CYSS HB2     2.80 
 19 CYSS HA     19 CYSS HB3     2.80 
 19 CYSS HB2    20 ASP- HN      5.40 
 19 CYSS HB2    21 GLY  HN      5.40 
 19 CYSS HB3    20 ASP- HN      5.40 
 19 CYSS HB3    21 GLY  HN      5.40 
 19 CYSS HN     19 CYSS HB2     3.60 
 19 CYSS HN     19 CYSS HB3     3.60 
 19 CYSS HN     20 ASP- HA      5.40 
 19 CYSS HN     20 ASP- HB2     5.40 
 19 CYSS HN     20 ASP- HB3     5.40 
 19 CYSS HN     20 ASP- HN      4.30 
 19 CYSS HN     21 GLY  HN      4.30 
 19 CYSS HN     52 CYSS HB2     5.40 
 19 CYSS HN     52 CYSS HB3     5.40 
 20 ASP- HB2    21 GLY  HN      5.40 
 20 ASP- HB3    21 GLY  HN      5.40 
 20 ASP- HN     20 ASP- HA      2.80 
 20 ASP- HN     20 ASP- HB2     3.60 
 20 ASP- HN     20 ASP- HB3     3.60 
 20 ASP- HN     21 GLY  HN      4.30 
 21 GLY  HA1    22 ARG+ HA      5.40 
 21 GLY  HA1    22 ARG+ HN      2.80 
 21 GLY  HA2    22 ARG+ HA      5.40 
 21 GLY  HA2    22 ARG+ HN      2.80 
 21 GLY  HN     22 ARG+ HN      5.70 
 21 GLY  HN     23 ILE  QD1     6.72 
 22 ARG+ HA     22 ARG+ HD2     5.40 
 22 ARG+ HA     22 ARG+ HD3     5.40 
 22 ARG+ HA     23 ILE  HN      2.80 
 22 ARG+ HB2    23 ILE  HN      5.40 
 22 ARG+ HB3    23 ILE  HN      5.40 
 22 ARG+ HD2    23 ILE  HA      5.40 
 22 ARG+ HD2    24 GLU- HB2     5.40 
 22 ARG+ HD2    24 GLU- HB3     5.40 
 22 ARG+ HD2    24 GLU- HN      5.40 
 22 ARG+ HD3    23 ILE  HA      5.40 
 22 ARG+ HD3    24 GLU- HB2     5.40 
 22 ARG+ HD3    24 GLU- HB3     5.40 
 22 ARG+ HD3    24 GLU- HN      5.40 
 22 ARG+ HN     22 ARG+ HB2     3.60 
 22 ARG+ HN     22 ARG+ HB3     3.60 
 22 ARG+ HN     22 ARG+ HD2     5.40 
 22 ARG+ HN     22 ARG+ HD3     5.40 
 22 ARG+ HN     22 ARG+ HG2     5.40 
 22 ARG+ HN     22 ARG+ HG3     5.40 
 22 ARG+ HN     23 ILE  HA      5.40 
 22 ARG+ HN     23 ILE  HN      5.70 
 23 ILE  HA     23 ILE  QD1     6.72 
 23 ILE  HA     23 ILE  QG2     4.12 
 23 ILE  HA     24 GLU- HA      5.40 
 23 ILE  HA     24 GLU- HB2     5.40 
 23 ILE  HA     24 GLU- HB3     5.40 
 23 ILE  HB     24 GLU- HN      5.40 
 23 ILE  HB     47 PHE  HB2     5.40 
 23 ILE  HB     47 PHE  HB3     5.40 
 23 ILE  HN     23 ILE  HB      3.60 
 23 ILE  HN     23 ILE  QD1     6.72 
 23 ILE  HN     23 ILE  QG2     6.72 
 23 ILE  HN     24 GLU- HA      5.40 
 23 ILE  HN     24 GLU- HN      5.70 
 23 ILE  QD1    24 GLU- HN      6.72 
 23 ILE  QD1    47 PHE  QD      8.85 
 23 ILE  QD1    47 PHE  HN      6.72 
 23 ILE  QD1    48 VAL  HA      6.72 
 23 ILE  QD1    48 VAL  HN      6.72 
 23 ILE  QD1    49 CYSS HA      6.72 
 23 ILE  QD1    49 CYSS HB2     6.72 
 23 ILE  QD1    49 CYSS HB3     6.72 
 23 ILE  QD1    49 CYSS HN      4.92 
 23 ILE  QD1    50 PRO  QD      9.61 
 23 ILE  QG2    23 ILE  QD1     6.94 
 23 ILE  QG2    24 GLU- HB2     6.72 
 23 ILE  QG2    24 GLU- HB3     6.72 
 23 ILE  QG2    24 GLU- HN      6.72 
 23 ILE  QG2    25 LEU  HA      6.72 
 23 ILE  QG2    25 LEU  HG      6.72 
 23 ILE  QG2    25 LEU  HN      6.72 
 23 ILE  QG2    47 PHE  HB2     6.72 
 23 ILE  QG2    47 PHE  HB3     6.72 
 23 ILE  QG2    47 PHE  QD      8.85 
 23 ILE  QG2    47 PHE  QE      8.85 
 23 ILE  QG2    49 CYSS HA      6.72 
 23 ILE  QG2    50 PRO  QD      9.61 
 24 GLU- HB2    25 LEU  HN      5.40 
 24 GLU- HB3    25 LEU  HN      5.40 
 24 GLU- HG2    25 LEU  HN      5.40 
 24 GLU- HG3    25 LEU  HN      5.40 
 24 GLU- HN     24 GLU- HB2     3.60 
 24 GLU- HN     24 GLU- HB3     3.60 
 24 GLU- HN     24 GLU- HG2     5.40 
 24 GLU- HN     24 GLU- HG3     5.40 
 24 GLU- HN     25 LEU  HG      5.40 
 24 GLU- HN     25 LEU  HN      4.30 
 25 LEU  HA     25 LEU  QD1     6.72 
 25 LEU  HA     25 LEU  QD2     6.72 
 25 LEU  HA     26 THR  HB      5.40 
 25 LEU  HA     26 THR  HN      2.80 
 25 LEU  HB2    26 THR  HN      5.40 
 25 LEU  HB3    26 THR  HN      5.40 
 25 LEU  HG     26 THR  HN      5.40 
 25 LEU  HN     25 LEU  HG      5.40 
 25 LEU  HN     25 LEU  QD1     6.72 
 25 LEU  HN     25 LEU  QD2     6.72 
 25 LEU  HN     26 THR  HN      4.30 
 25 LEU  QD1    26 THR  HN      6.72 
 25 LEU  QD1    47 PHE  QD      8.85 
 25 LEU  QD1    47 PHE  QE      8.85 
 25 LEU  QD2    26 THR  HN      6.72 
 25 LEU  QD2    47 PHE  QD      8.85 
 25 LEU  QD2    47 PHE  QE      8.85 
 26 THR  HA     27 VAL  HN      2.80 
 26 THR  HB     27 VAL  HN      5.40 
 26 THR  HN     26 THR  HB      3.60 
 26 THR  HN     26 THR  QG2     6.72 
 26 THR  HN     27 VAL  HA      5.40 
 26 THR  HN     27 VAL  HN      4.30 
 26 THR  QG2    27 VAL  HA      6.72 
 26 THR  QG2    27 VAL  HN      6.72 
 26 THR  QG2    27 VAL  QG1     8.74 
 26 THR  QG2    27 VAL  QG2     8.74 
 26 THR  QG2    28 GLU- HN      6.72 
 27 VAL  HA     27 VAL  HB      2.80 
 27 VAL  HA     28 GLU- HA      5.40 
 27 VAL  HA     28 GLU- HN      2.80 
 27 VAL  HB     28 GLU- HN      3.60 
 27 VAL  HN     28 GLU- HA      5.40 
 27 VAL  HN     28 GLU- HN      5.70 
 27 VAL  QG1    37 LEU  QD1     8.74 
 27 VAL  QG1    37 LEU  QD2     8.74 
 27 VAL  QG2    37 LEU  QD1     8.74 
 27 VAL  QG2    37 LEU  QD2     8.74 
 28 GLU- HA     28 GLU- HG2     3.60 
 28 GLU- HA     28 GLU- HG3     3.60 
 28 GLU- HA     29 SER  HN      2.80 
 28 GLU- HB2    29 SER  HN      5.40 
 28 GLU- HB3    29 SER  HN      5.40 
 28 GLU- HN     28 GLU- HG2     5.40 
 28 GLU- HN     28 GLU- HG3     5.40 
 28 GLU- HN     29 SER  HA      5.40 
 28 GLU- HN     29 SER  HN      4.30 
 29 SER  HA     30 SER  HN      2.80 
 29 SER  HB2    34 LEU  HN      5.40 
 29 SER  HB3    34 LEU  HN      5.40 
 29 SER  HN     29 SER  HB2     3.60 
 29 SER  HN     29 SER  HB3     3.60 
 29 SER  HN     30 SER  HN      5.70 
 30 SER  HA     31 ALA  QB      6.72 
 30 SER  HA     32 GLU- HN      5.40 
 30 SER  HA     33 ASP- HN      5.40 
 30 SER  HB2    33 ASP- HN      5.40 
 30 SER  HB2    34 LEU  HN      5.40 
 30 SER  HB3    33 ASP- HN      5.40 
 30 SER  HB3    34 LEU  HN      5.40 
 30 SER  HN     30 SER  HB2     3.60 
 30 SER  HN     30 SER  HB3     3.60 
 30 SER  HN     33 ASP- HB2     5.40 
 30 SER  HN     33 ASP- HB3     5.40 
 30 SER  HN     33 ASP- HN      5.40 
 30 SER  HN     34 LEU  HN      5.70 
 31 ALA  HA     33 ASP- HN      5.40 
 31 ALA  HA     34 LEU  HA      5.40 
 31 ALA  HA     34 LEU  HB2     5.40 
 31 ALA  HA     34 LEU  HB3     5.40 
 31 ALA  HA     34 LEU  HG      5.40 
 31 ALA  HA     34 LEU  HN      3.60 
 31 ALA  HA     34 LEU  QD1     6.72 
 31 ALA  HA     34 LEU  QD2     6.72 
 31 ALA  HA     35 ARG+ HN      5.40 
 31 ALA  QB     32 GLU- HA      6.72 
 31 ALA  QB     32 GLU- HG2     6.72 
 31 ALA  QB     32 GLU- HG3     6.72 
 31 ALA  QB     32 GLU- HN      4.92 
 31 ALA  QB     33 ASP- HN      6.72 
 31 ALA  QB     34 LEU  HN      6.72 
 31 ALA  QB     35 ARG+ HN      6.72 
 32 GLU- HA     34 LEU  HN      5.40 
 32 GLU- HA     35 ARG+ HB2     5.40 
 32 GLU- HA     35 ARG+ HB3     5.40 
 32 GLU- HA     35 ARG+ HD2     5.40 
 32 GLU- HA     35 ARG+ HD3     5.40 
 32 GLU- HA     35 ARG+ HN      3.60 
 32 GLU- HA     36 THR  HN      5.40 
 32 GLU- HB2    33 ASP- HN      5.40 
 32 GLU- HB3    33 ASP- HN      5.40 
 32 GLU- HG2    33 ASP- HN      5.40 
 32 GLU- HG3    33 ASP- HN      5.40 
 32 GLU- HN     32 GLU- HA      2.80 
 32 GLU- HN     32 GLU- HB2     3.60 
 32 GLU- HN     32 GLU- HB3     3.60 
 32 GLU- HN     32 GLU- HG2     5.40 
 32 GLU- HN     32 GLU- HG3     5.40 
 32 GLU- HN     33 ASP- HA      5.40 
 32 GLU- HN     33 ASP- HB2     5.40 
 32 GLU- HN     33 ASP- HB3     5.40 
 32 GLU- HN     33 ASP- HN      4.30 
 32 GLU- HN     34 LEU  HN      4.30 
 33 ASP- HA     35 ARG+ HN      5.40 
 33 ASP- HA     36 THR  HB      5.40 
 33 ASP- HA     36 THR  HN      3.60 
 33 ASP- HA     36 THR  QG2     6.72 
 33 ASP- HA     37 LEU  HN      5.40 
 33 ASP- HN     33 ASP- HA      2.80 
 33 ASP- HN     34 LEU  HA      5.40 
 33 ASP- HN     34 LEU  HN      4.30 
 33 ASP- HN     35 ARG+ HN      4.30 
 34 LEU  HA     34 LEU  HG      3.60 
 34 LEU  HA     34 LEU  QD1     6.72 
 34 LEU  HA     34 LEU  QD2     6.72 
 34 LEU  HA     35 ARG+ HA      5.40 
 34 LEU  HA     36 THR  HN      5.40 
 34 LEU  HA     37 LEU  HB2     5.40 
 34 LEU  HA     37 LEU  HB3     5.40 
 34 LEU  HA     37 LEU  HG      5.40 
 34 LEU  HA     37 LEU  HN      5.40 
 34 LEU  HA     37 LEU  QD1     6.72 
 34 LEU  HA     37 LEU  QD2     6.72 
 34 LEU  HA     38 GLN  HN      5.40 
 34 LEU  HB2    35 ARG+ HN      5.40 
 34 LEU  HB3    35 ARG+ HN      5.40 
 34 LEU  HG     35 ARG+ HA      5.40 
 34 LEU  HG     35 ARG+ HN      5.40 
 34 LEU  HG     37 LEU  QD1     6.72 
 34 LEU  HG     37 LEU  QD2     6.72 
 34 LEU  HG     38 GLN  HA      5.40 
 34 LEU  HG     38 GLN  HE21    5.40 
 34 LEU  HG     38 GLN  HE22    5.40 
 34 LEU  HG     38 GLN  HN      5.40 
 34 LEU  HN     34 LEU  HB2     3.60 
 34 LEU  HN     34 LEU  HB3     3.60 
 34 LEU  HN     34 LEU  HG      5.40 
 34 LEU  HN     34 LEU  QD1     6.72 
 34 LEU  HN     34 LEU  QD2     6.72 
 34 LEU  HN     35 ARG+ HB2     5.40 
 34 LEU  HN     35 ARG+ HB3     5.40 
 34 LEU  HN     35 ARG+ HN      4.30 
 34 LEU  HN     36 THR  HB      5.40 
 34 LEU  HN     36 THR  HN      5.70 
 34 LEU  QD1    35 ARG+ HN      6.72 
 34 LEU  QD1    37 LEU  QD1     8.74 
 34 LEU  QD1    37 LEU  QD2     8.74 
 34 LEU  QD1    38 GLN  HE21    6.72 
 34 LEU  QD1    38 GLN  HE22    6.72 
 34 LEU  QD2    35 ARG+ HN      6.72 
 34 LEU  QD2    37 LEU  QD1     8.74 
 34 LEU  QD2    37 LEU  QD2     8.74 
 34 LEU  QD2    38 GLN  HE21    6.72 
 34 LEU  QD2    38 GLN  HE22    6.72 
 35 ARG+ HA     35 ARG+ HD2     5.40 
 35 ARG+ HA     35 ARG+ HD3     5.40 
 35 ARG+ HA     37 LEU  HN      5.40 
 35 ARG+ HA     38 GLN  HB2     5.40 
 35 ARG+ HA     38 GLN  HB3     5.40 
 35 ARG+ HA     38 GLN  HG2     5.40 
 35 ARG+ HA     38 GLN  HG3     5.40 
 35 ARG+ HA     38 GLN  HN      3.60 
 35 ARG+ HA     39 GLN  HN      5.40 
 35 ARG+ HB2    36 THR  HN      3.60 
 35 ARG+ HB2    39 GLN  HE21    5.40 
 35 ARG+ HB2    39 GLN  HE22    5.40 
 35 ARG+ HB3    36 THR  HN      3.60 
 35 ARG+ HB3    39 GLN  HE21    5.40 
 35 ARG+ HB3    39 GLN  HE22    5.40 
 35 ARG+ HG2    36 THR  HN      5.40 
 35 ARG+ HG2    39 GLN  HE21    5.40 
 35 ARG+ HG2    39 GLN  HE22    5.40 
 35 ARG+ HG3    36 THR  HN      5.40 
 35 ARG+ HG3    39 GLN  HE21    5.40 
 35 ARG+ HG3    39 GLN  HE22    5.40 
 35 ARG+ HN     35 ARG+ HD2     5.40 
 35 ARG+ HN     35 ARG+ HD3     5.40 
 35 ARG+ HN     35 ARG+ HG2     5.40 
 35 ARG+ HN     35 ARG+ HG3     5.40 
 35 ARG+ HN     36 THR  HB      5.40 
 35 ARG+ HN     36 THR  HN      4.30 
 35 ARG+ HN     37 LEU  HG      5.40 
 35 ARG+ HN     37 LEU  HN      4.30 
 36 THR  HA     38 GLN  HN      5.40 
 36 THR  HA     39 GLN  HB2     5.40 
 36 THR  HA     39 GLN  HB3     5.40 
 36 THR  HA     39 GLN  HE21    5.40 
 36 THR  HA     39 GLN  HE22    5.40 
 36 THR  HA     39 GLN  HG2     5.40 
 36 THR  HA     39 GLN  HG3     5.40 
 36 THR  HA     39 GLN  HN      3.60 
 36 THR  HB     37 LEU  HA      5.40 
 36 THR  HB     37 LEU  HN      3.60 
 36 THR  HB     38 GLN  HN      5.40 
 36 THR  HB     39 GLN  HN      5.40 
 36 THR  HN     36 THR  HB      3.60 
 36 THR  HN     36 THR  QG2     6.72 
 36 THR  HN     37 LEU  HA      5.40 
 36 THR  HN     37 LEU  HN      5.70 
 36 THR  HN     38 GLN  HN      4.30 
 36 THR  HN     39 GLN  HN      5.70 
 36 THR  QG2    37 LEU  HA      6.72 
 36 THR  QG2    37 LEU  HN      6.72 
 36 THR  QG2    39 GLN  HN      6.72 
 36 THR  QG2    40 LEU  HG      4.92 
 36 THR  QG2    40 LEU  HN      6.72 
 36 THR  QG2    40 LEU  QD1     8.74 
 36 THR  QG2    40 LEU  QD2     8.74 
 37 LEU  HA     37 LEU  QD1     6.72 
 37 LEU  HA     37 LEU  QD2     6.72 
 37 LEU  HA     39 GLN  HN      5.40 
 37 LEU  HA     40 LEU  HB2     5.40 
 37 LEU  HA     40 LEU  HB3     5.40 
 37 LEU  HA     40 LEU  HG      5.40 
 37 LEU  HA     40 LEU  HN      3.60 
 37 LEU  HA     41 PHE  HN      5.40 
 37 LEU  HB2    38 GLN  HN      5.40 
 37 LEU  HB3    38 GLN  HN      5.40 
 37 LEU  HG     38 GLN  HA      5.40 
 37 LEU  HG     38 GLN  HN      5.40 
 37 LEU  HG     41 PHE  QE      7.53 
 37 LEU  HN     37 LEU  HB2     3.60 
 37 LEU  HN     37 LEU  HB3     3.60 
 37 LEU  HN     37 LEU  HG      5.40 
 37 LEU  HN     37 LEU  QD1     6.72 
 37 LEU  HN     37 LEU  QD2     6.72 
 37 LEU  HN     38 GLN  HA      5.40 
 37 LEU  HN     38 GLN  HN      4.30 
 37 LEU  HN     39 GLN  HN      5.70 
 37 LEU  HN     40 LEU  HG      5.40 
 37 LEU  HN     40 LEU  HN      5.70 
 37 LEU  QD1    38 GLN  HA      6.72 
 37 LEU  QD1    38 GLN  HN      6.72 
 37 LEU  QD2    38 GLN  HA      6.72 
 37 LEU  QD2    38 GLN  HN      6.72 
 38 GLN  HA     41 PHE  HB2     5.40 
 38 GLN  HA     41 PHE  HB3     5.40 
 38 GLN  HA     41 PHE  QD      7.53 
 38 GLN  HA     41 PHE  HN      3.60 
 38 GLN  HB2    38 GLN  HE21    5.40 
 38 GLN  HB2    38 GLN  HE22    5.40 
 38 GLN  HB2    39 GLN  HN      5.40 
 38 GLN  HB3    38 GLN  HE21    5.40 
 38 GLN  HB3    38 GLN  HE22    5.40 
 38 GLN  HB3    39 GLN  HN      5.40 
 38 GLN  HG2    39 GLN  HA      5.40 
 38 GLN  HG2    39 GLN  HE21    5.40 
 38 GLN  HG2    39 GLN  HE22    5.40 
 38 GLN  HG2    39 GLN  HN      5.40 
 38 GLN  HG3    39 GLN  HA      5.40 
 38 GLN  HG3    39 GLN  HE21    5.40 
 38 GLN  HG3    39 GLN  HE22    5.40 
 38 GLN  HG3    39 GLN  HN      5.40 
 38 GLN  HN     38 GLN  HB2     3.60 
 38 GLN  HN     38 GLN  HB3     3.60 
 38 GLN  HN     38 GLN  HE21    5.70 
 38 GLN  HN     38 GLN  HE22    5.70 
 38 GLN  HN     38 GLN  HG2     5.40 
 38 GLN  HN     38 GLN  HG3     5.40 
 38 GLN  HN     39 GLN  HN      4.30 
 38 GLN  HN     40 LEU  HN      4.30 
 38 GLN  HN     41 PHE  QD      7.83 
 38 GLN  HN     41 PHE  HN      5.70 
 39 GLN  HA     39 GLN  HE21    5.40 
 39 GLN  HA     39 GLN  HE22    5.40 
 39 GLN  HA     40 LEU  HA      5.40 
 39 GLN  HA     41 PHE  HN      5.40 
 39 GLN  HA     42 LEU  HB2     5.40 
 39 GLN  HA     42 LEU  HB3     5.40 
 39 GLN  HA     42 LEU  HG      5.40 
 39 GLN  HA     42 LEU  HN      3.60 
 39 GLN  HA     42 LEU  QD1     6.72 
 39 GLN  HA     42 LEU  QD2     6.72 
 39 GLN  HA     43 SER  HN      5.40 
 39 GLN  HB2    39 GLN  HE21    5.40 
 39 GLN  HB2    39 GLN  HE22    5.40 
 39 GLN  HB2    40 LEU  HA      5.40 
 39 GLN  HB2    40 LEU  HN      5.40 
 39 GLN  HB2    42 LEU  HN      5.40 
 39 GLN  HB3    39 GLN  HE21    5.40 
 39 GLN  HB3    39 GLN  HE22    5.40 
 39 GLN  HB3    40 LEU  HA      5.40 
 39 GLN  HB3    40 LEU  HN      5.40 
 39 GLN  HB3    42 LEU  HN      5.40 
 39 GLN  HN     39 GLN  HA      2.80 
 39 GLN  HN     39 GLN  HB2     3.60 
 39 GLN  HN     39 GLN  HB3     3.60 
 39 GLN  HN     40 LEU  HA      5.40 
 39 GLN  HN     40 LEU  HG      5.20 
 39 GLN  HN     40 LEU  HN      4.30 
 39 GLN  HN     40 LEU  QD1     6.72 
 39 GLN  HN     40 LEU  QD2     6.72 
 39 GLN  HN     41 PHE  QD      7.53 
 39 GLN  HN     41 PHE  HN      4.30 
 40 LEU  HA     40 LEU  HG      3.60 
 40 LEU  HA     41 PHE  HA      5.40 
 40 LEU  HA     42 LEU  HN      5.40 
 40 LEU  HA     43 SER  HB2     5.40 
 40 LEU  HA     43 SER  HB3     5.40 
 40 LEU  HA     43 SER  HN      3.60 
 40 LEU  HA     44 THR  HN      5.40 
 40 LEU  HA     44 THR  QG2     8.92 
 40 LEU  HA     45 LEU  HB2     5.40 
 40 LEU  HA     45 LEU  HB3     5.40 
 40 LEU  HA     45 LEU  HN      5.40 
 40 LEU  HB2    45 LEU  HB2     5.40 
 40 LEU  HB2    45 LEU  HB3     5.40 
 40 LEU  HB2    45 LEU  QD1     6.72 
 40 LEU  HB2    45 LEU  QD2     6.72 
 40 LEU  HB3    45 LEU  HB2     5.40 
 40 LEU  HB3    45 LEU  HB3     5.40 
 40 LEU  HB3    45 LEU  QD1     6.72 
 40 LEU  HB3    45 LEU  QD2     6.72 
 40 LEU  HG     41 PHE  HN      5.40 
 40 LEU  HN     40 LEU  HB2     3.60 
 40 LEU  HN     40 LEU  HB3     3.60 
 40 LEU  HN     40 LEU  HG      2.80 
 40 LEU  HN     40 LEU  QD1     4.92 
 40 LEU  HN     40 LEU  QD2     4.92 
 40 LEU  HN     41 PHE  HN      4.30 
 40 LEU  HN     42 LEU  HN      4.30 
 40 LEU  HN     43 SER  HN      5.70 
 40 LEU  QD1    41 PHE  HN      6.72 
 40 LEU  QD2    41 PHE  HN      6.72 
 41 PHE  HA     43 SER  HN      5.40 
 41 PHE  HA     45 LEU  HG      5.40 
 41 PHE  HA     45 LEU  HN      3.60 
 41 PHE  HA     45 LEU  QD1     6.72 
 41 PHE  HA     45 LEU  QD2     6.72 
 41 PHE  HA     46 SER  HN      5.40 
 41 PHE  HB2    42 LEU  HN      5.40 
 41 PHE  HB3    42 LEU  HN      5.40 
 41 PHE  QE     45 LEU  QD1     8.85 
 41 PHE  QE     45 LEU  QD2     8.85 
 41 PHE  HN     41 PHE  QD      7.53 
 41 PHE  HN     42 LEU  HA      5.40 
 41 PHE  HN     42 LEU  HN      4.30 
 41 PHE  HN     43 SER  HN      5.40 
 42 LEU  HA     42 LEU  HG      3.60 
 42 LEU  HA     44 THR  HN      5.40 
 42 LEU  HB2    43 SER  HN      5.40 
 42 LEU  HB3    43 SER  HN      5.40 
 42 LEU  HG     43 SER  HN      5.40 
 42 LEU  HN     42 LEU  HG      5.40 
 42 LEU  HN     42 LEU  QD1     6.72 
 42 LEU  HN     42 LEU  QD2     6.72 
 42 LEU  HN     43 SER  HA      5.40 
 42 LEU  HN     43 SER  HB2     5.40 
 42 LEU  HN     43 SER  HB3     5.40 
 42 LEU  HN     43 SER  HN      4.30 
 42 LEU  HN     44 THR  HN      5.40 
 42 LEU  HN     45 LEU  HN      5.70 
 42 LEU  QD1    43 SER  HN      6.72 
 42 LEU  QD2    43 SER  HN      6.72 
 43 SER  HA     45 LEU  HN      5.40 
 43 SER  HB2    44 THR  HN      3.60 
 43 SER  HB2    45 LEU  HN      5.40 
 43 SER  HB3    44 THR  HN      3.60 
 43 SER  HB3    45 LEU  HN      5.40 
 43 SER  HN     43 SER  HA      2.80 
 43 SER  HN     43 SER  HB2     3.60 
 43 SER  HN     43 SER  HB3     3.60 
 43 SER  HN     44 THR  HA      5.40 
 43 SER  HN     44 THR  HN      4.30 
 43 SER  HN     45 LEU  HN      4.30 
 44 THR  HB     45 LEU  HN      5.40 
 44 THR  HN     44 THR  HA      2.80 
 44 THR  HN     44 THR  QG2     4.92 
 44 THR  HN     45 LEU  HA      5.40 
 44 THR  HN     45 LEU  HB2     5.40 
 44 THR  HN     45 LEU  HB3     5.40 
 44 THR  HN     45 LEU  HN      4.30 
 44 THR  QG2    45 LEU  HN      4.92 
 45 LEU  HA     46 SER  HN      2.80 
 45 LEU  HB2    46 SER  HN      5.40 
 45 LEU  HB3    46 SER  HN      5.40 
 45 LEU  HG     46 SER  HN      5.40 
 45 LEU  HN     45 LEU  HB2     3.60 
 45 LEU  HN     45 LEU  HB3     3.60 
 45 LEU  HN     45 LEU  QD1     6.72 
 45 LEU  HN     45 LEU  QD2     6.72 
 45 LEU  HN     46 SER  HN      5.70 
 46 SER  HA     47 PHE  HB2     5.40 
 46 SER  HA     47 PHE  HB3     5.40 
 46 SER  HA     47 PHE  QD      7.53 
 46 SER  HB2    47 PHE  HN      3.60 
 46 SER  HB3    47 PHE  HN      3.60 
 46 SER  HN     47 PHE  HA      5.40 
 46 SER  HN     47 PHE  HN      4.30 
 47 PHE  HA     47 PHE  QD      7.53 
 47 PHE  HB2    48 VAL  HN      5.40 
 47 PHE  HB3    48 VAL  HN      5.40 
 47 PHE  QD     48 VAL  HN      7.53 
 47 PHE  HN     47 PHE  HB2     3.60 
 47 PHE  HN     47 PHE  HB3     3.60 
 47 PHE  HN     47 PHE  QD      6.43 
 47 PHE  HN     48 VAL  HA      5.40 
 47 PHE  HN     48 VAL  HN      4.30 
 48 VAL  HA     49 CYSS HN      2.80 
 48 VAL  HB     49 CYSS HN      5.40 
 48 VAL  HB     53 ALA  QB      6.72 
 48 VAL  HN     48 VAL  HA      2.80 
 48 VAL  HN     48 VAL  HB      3.60 
 48 VAL  HN     49 CYSS HA      5.40 
 48 VAL  HN     49 CYSS HN      4.30 
 48 VAL  QG1    52 CYSS HB2     6.72 
 48 VAL  QG1    52 CYSS HB3     6.72 
 48 VAL  QG1    53 ALA  HA      8.92 
 48 VAL  QG1    53 ALA  HN      6.72 
 48 VAL  QG1    53 ALA  QB      8.74 
 48 VAL  QG2    52 CYSS HB2     6.72 
 48 VAL  QG2    52 CYSS HB3     6.72 
 48 VAL  QG2    53 ALA  HA      8.92 
 48 VAL  QG2    53 ALA  HN      6.72 
 48 VAL  QG2    53 ALA  QB      8.74 
 49 CYSS HA     50 PRO  HG2     5.40 
 49 CYSS HA     50 PRO  HG3     5.40 
 49 CYSS HA     51 TRP  HN      5.40 
 49 CYSS HB2    50 PRO  QD      7.89 
 49 CYSS HB2    51 TRP  HN      5.40 
 49 CYSS HB3    50 PRO  QD      7.89 
 49 CYSS HB3    51 TRP  HN      5.40 
 49 CYSS HN     49 CYSS HB2     3.60 
 49 CYSS HN     49 CYSS HB3     3.60 
 49 CYSS HN     50 PRO  QD      7.89 
 49 CYSS HN     51 TRP  HN      5.40 
 49 CYSS HN     52 CYSS HB2     5.40 
 49 CYSS HN     52 CYSS HB3     5.40 
 49 CYSS HN     52 CYSS HN      5.70 
 49 CYSS HN     53 ALA  HN      5.70 
 50 PRO  HA     51 TRP  HA      5.40 
 50 PRO  HA     52 CYSS HN      5.40 
 50 PRO  HA     53 ALA  HN      5.40 
 50 PRO  HA     53 ALA  QB      4.92 
 50 PRO  HA     54 THR  HN      5.40 
 50 PRO  HB2    53 ALA  QB      6.72 
 50 PRO  HB3    53 ALA  QB      6.72 
 50 PRO  HG2    51 TRP  HN      5.40 
 50 PRO  HG3    51 TRP  HN      5.40 
 50 PRO  QD     52 CYSS HN      7.89 
 51 TRP  HA     51 TRP  HE1     5.40 
 51 TRP  HA     53 ALA  HN      5.40 
 51 TRP  HA     54 THR  HN      5.40 
 51 TRP  HA     54 THR  QG2     6.72 
 51 TRP  HA     55 ASN  HD21    5.40 
 51 TRP  HA     55 ASN  HD22    5.40 
 51 TRP  HB2    52 CYSS HN      5.40 
 51 TRP  HB3    52 CYSS HN      5.40 
 51 TRP  HD1    52 CYSS HN      5.70 
 51 TRP  HD1    55 ASN  HD21    5.40 
 51 TRP  HD1    55 ASN  HD22    5.40 
 51 TRP  HE1    55 ASN  HB2     5.40 
 51 TRP  HE1    55 ASN  HB3     5.40 
 51 TRP  HE3    52 CYSS HN      5.70 
 51 TRP  HN     51 TRP  HA      2.80 
 51 TRP  HN     51 TRP  HD1     5.40 
 51 TRP  HN     52 CYSS HA      5.40 
 51 TRP  HN     52 CYSS HN      4.30 
 51 TRP  HN     53 ALA  HN      5.70 
 51 TRP  HN     53 ALA  QB      6.72 
 51 TRP  HN     54 THR  HB      5.40 
 51 TRP  HN     54 THR  HN      5.40 
 52 CYSS HB2    53 ALA  HA      5.40 
 52 CYSS HB2    53 ALA  HN      3.60 
 52 CYSS HB3    53 ALA  HA      5.40 
 52 CYSS HB3    53 ALA  HN      3.60 
 52 CYSS HN     52 CYSS HB2     3.60 
 52 CYSS HN     52 CYSS HB3     3.60 
 52 CYSS HN     53 ALA  HA      5.40 
 52 CYSS HN     53 ALA  HN      4.30 
 52 CYSS HN     53 ALA  QB      6.72 
 52 CYSS HN     54 THR  HN      5.70 
 53 ALA  HA     56 CGLN HN      5.40 
 53 ALA  HN     53 ALA  HA      2.80 
 53 ALA  HN     54 THR  HN      4.30 
 53 ALA  HN     56 CGLN HN      5.70 
 53 ALA  QB     54 THR  HN      4.92 
 54 THR  HA     56 CGLN HN      5.40 
 54 THR  HB     55 ASN  HD21    5.40 
 54 THR  HB     55 ASN  HD22    5.40 
 54 THR  HN     54 THR  QG2     4.92 
 54 THR  HN     55 ASN  HA      5.40 
 54 THR  HN     55 ASN  HN      4.30 
 54 THR  HN     56 CGLN HN      4.30 
 54 THR  QG2    55 ASN  HD21    6.72 
 54 THR  QG2    55 ASN  HD22    6.72 
 54 THR  QG2    55 ASN  HN      6.72 
 54 THR  QG2    56 CGLN HN      6.72 
 55 ASN  HD21   56 CGLN HN      5.70 
 55 ASN  HD22   56 CGLN HN      5.70 
 55 ASN  HN     56 CGLN HN      4.30 
 56 CGLN HN     56 CGLN HG2     5.40 
 56 CGLN HN     56 CGLN HG3     5.40 
  4 MET  QG      6 GLU- HN      5.25 
  6 GLU- HN      6 GLU- QB      3.41 
  6 GLU- QB      7 PRO  QD      3.46 
  6 GLU- QB      9 ARG+ HN      5.25 
  7 PRO  QG      8 GLN  HA      7.29 
  8 GLN  HN      8 GLN  QB      3.41 
  8 GLN  QB      8 GLN  QE2     4.67 
  8 GLN  QB     29 SER  HN      5.25 
  8 GLN  QG     29 SER  HN      5.25 
  9 ARG+ HN      9 ARG+ QD      5.25 
  9 ARG+ QB     28 GLU- HA      5.25 
  9 ARG+ QB     28 GLU- QG      5.10 
  9 ARG+ QG     28 GLU- HA      5.25 
  9 ARG+ QD     10 HIS  HN      5.25 
  9 ARG+ QD     26 THR  HB      7.29 
 10 HIS  HN     27 VAL  QQG     6.61 
 10 HIS  HA     10 HIS  QB      2.58 
 10 HIS  QB     27 VAL  QQG     7.30 
 10 HIS  HD2    27 VAL  QQG     8.79 
 11 LYS+ HN     11 LYS+ QB      3.41 
 11 LYS+ HN     12 ILE  QG1     5.25 
 11 LYS+ HA     11 LYS+ QB      2.58 
 11 LYS+ HA     25 LEU  QB      7.29 
 11 LYS+ HA     27 VAL  QQG     6.61 
 11 LYS+ QB     11 LYS+ QE      4.45 
 11 LYS+ QG     26 THR  HB      5.25 
 12 ILE  HN     12 ILE  QG1     3.55 
 12 ILE  HN     25 LEU  QQD     6.61 
 12 ILE  HN     27 VAL  QQG     6.61 
 12 ILE  QG2    25 LEU  QQD     8.52 
 12 ILE  QG2    37 LEU  QQD     8.52 
 12 ILE  QG1    13 LEU  HN      5.25 
 12 ILE  QG1    25 LEU  QB      6.97 
 12 ILE  QG1    26 THR  HA      7.29 
 12 ILE  QG1    27 VAL  QQG     7.74 
 12 ILE  QG1    34 LEU  HG      7.29 
 12 ILE  QG1    34 LEU  QQD     5.89 
 12 ILE  QG1    37 LEU  QQD     6.36 
 12 ILE  QD1    27 VAL  QQG     6.69 
 12 ILE  QD1    37 LEU  QB      6.48 
 13 LEU  HA     24 GLU- QB      5.25 
 13 LEU  HG     22 ARG+ QG      5.25 
 13 LEU  QQD    22 ARG+ QG      5.77 
 13 LEU  QQD    23 ILE  HN      6.61 
 13 LEU  QQD    24 GLU- HN      6.61 
 13 LEU  QQD    24 GLU- QB      8.26 
 13 LEU  QQD    24 GLU- QG      7.74 
 13 LEU  QQD    25 LEU  HN      6.61 
 14 CYS  HN     25 LEU  QQD     6.61 
 14 CYS  QB     23 ILE  HN      5.25 
 15 VAL  QQG    16 CYSM HN      4.80 
 15 VAL  QQG    16 CYSM HA      6.61 
 15 VAL  QQG    16 CYSM QB      8.26 
 15 VAL  QQG    20 ASP- HA      6.61 
 15 VAL  QQG    21 GLY  HN      6.61 
 15 VAL  QQG    22 ARG+ QG      7.74 
 15 VAL  QQG    23 ILE  HN      6.61 
 15 VAL  QQG    23 ILE  HB      6.61 
 15 VAL  QQG    23 ILE  QG2    10.58 
 16 CYSM HN     23 ILE  QG1     5.25 
 16 CYSM QB     18 LYS+ QB      6.97 
 16 CYSM QB     19 CYSS HN      3.55 
 16 CYSM QB     20 ASP- HA      5.25 
 16 CYSM QB     20 ASP- QB      6.97 
 16 CYSM QB     21 GLY  QA      4.68 
 16 CYSM QB     22 ARG+ HA      7.29 
 18 LYS+ HN     18 LYS+ QG      3.55 
 18 LYS+ HN     18 LYS+ QD      5.25 
 18 LYS+ HN     18 LYS+ QE      5.25 
 18 LYS+ HN     19 CYSS QB      5.25 
 18 LYS+ HA     18 LYS+ QB      2.58 
 18 LYS+ QB     48 VAL  QQG     7.74 
 18 LYS+ QG     19 CYSS HN      3.55 
 18 LYS+ QG     49 CYSS HN      5.25 
 18 LYS+ QD     48 VAL  QQG     6.36 
 20 ASP- HN     21 GLY  QA      5.25 
 21 GLY  HN     21 GLY  QA      2.56 
 21 GLY  QA     22 ARG+ QB      5.09 
 22 ARG+ QB     23 ILE  HA      5.25 
 22 ARG+ QG     23 ILE  HN      5.25 
 22 ARG+ QG     23 ILE  HB      7.29 
 22 ARG+ QD     23 ILE  HN      5.25 
 22 ARG+ QD     24 GLU- QG      6.49 
 23 ILE  HN     23 ILE  QG1     5.25 
 23 ILE  QG2    25 LEU  QQD     8.52 
 23 ILE  QG1    24 GLU- HN      5.25 
 23 ILE  QG1    49 CYSS HN      5.25 
 23 ILE  QD1    47 PHE  QB      4.80 
 23 ILE  QD1    48 VAL  QQG     8.52 
 24 GLU- QB     25 LEU  HG      7.29 
 24 GLU- QG     25 LEU  QB      6.49 
 25 LEU  QB     26 THR  HA      5.25 
 25 LEU  QB     27 VAL  HN      5.25 
 25 LEU  QB     27 VAL  QQG     5.89 
 25 LEU  QB     47 PHE  QE      9.24 
 25 LEU  QQD    27 VAL  QQG     8.30 
 25 LEU  QQD    41 PHE  HZ      6.61 
 25 LEU  QQD    47 PHE  HZ      6.61 
 26 THR  HN     27 VAL  QQG     6.61 
 26 THR  HA     27 VAL  QQG     6.61 
 27 VAL  QQG    28 GLU- HN      4.80 
 27 VAL  QQG    28 GLU- HA      6.61 
 27 VAL  QQG    29 SER  HN      6.61 
 27 VAL  QQG    34 LEU  QQD     9.42 
 27 VAL  QQG    47 PHE  QD     10.77 
 27 VAL  QQG    47 PHE  QE     10.77 
 28 GLU- HN     28 GLU- QB      3.41 
 28 GLU- HN     29 SER  QB      5.25 
 28 GLU- QB     29 SER  QB      6.49 
 29 SER  QB     30 SER  HN      3.55 
 30 SER  QB     31 ALA  QB      6.48 
 30 SER  QB     32 GLU- HN      3.55 
 31 ALA  QB     34 LEU  QQD     8.52 
 32 GLU- HA     32 GLU- QG      3.42 
 32 GLU- HA     35 ARG+ QG      7.29 
 32 GLU- QB     34 LEU  HN      5.25 
 33 ASP- QB     34 LEU  HN      3.55 
 34 LEU  HN     37 LEU  QQD     6.61 
 34 LEU  QB     37 LEU  QQD     6.36 
 34 LEU  HG     37 LEU  QB      7.29 
 34 LEU  HG     38 GLN  QB      5.25 
 34 LEU  QQD    35 ARG+ HA      6.61 
 34 LEU  QQD    37 LEU  QB      8.26 
 34 LEU  QQD    37 LEU  HG      6.61 
 34 LEU  QQD    38 GLN  HN      6.61 
 34 LEU  QQD    38 GLN  QB      7.57 
 34 LEU  QQD    38 GLN  QG      7.74 
 35 ARG+ HN     35 ARG+ QB      3.41 
 35 ARG+ HN     37 LEU  QQD     6.61 
 35 ARG+ HA     38 GLN  QE2     5.25 
 35 ARG+ QG     36 THR  HA      7.29 
 36 THR  HA     40 LEU  QQD     6.61 
 36 THR  HB     37 LEU  QB      5.25 
 36 THR  HB     40 LEU  QQD     6.53 
 36 THR  QG2    39 GLN  QB      8.49 
 37 LEU  HN     38 GLN  QB      5.25 
 37 LEU  HN     40 LEU  QQD     6.61 
 37 LEU  HA     40 LEU  QQD     8.69 
 37 LEU  HA     45 LEU  QQD     8.69 
 37 LEU  QB     38 GLN  HA      7.29 
 37 LEU  QB     40 LEU  QB      7.31 
 37 LEU  QB     40 LEU  HG      7.29 
 37 LEU  QB     40 LEU  QQD     7.57 
 37 LEU  QQD    38 GLN  QB      6.36 
 37 LEU  QQD    41 PHE  HN      6.61 
 37 LEU  QQD    41 PHE  QD      8.62 
 37 LEU  QQD    41 PHE  QE      8.51 
 37 LEU  QQD    41 PHE  HZ      8.79 
 37 LEU  QQD    47 PHE  QE     10.68 
 38 GLN  HN     39 GLN  QG      5.25 
 38 GLN  HA     38 GLN  QE2     5.25 
 38 GLN  QB     39 GLN  QB      6.97 
 38 GLN  QB     39 GLN  QG      6.97 
 38 GLN  QG     39 GLN  QB      6.97 
 38 GLN  QG     39 GLN  QG      6.97 
 39 GLN  HN     39 GLN  QG      5.25 
 39 GLN  HN     39 GLN  QE2     5.53 
 39 GLN  HN     42 LEU  QQD     6.61 
 39 GLN  HA     39 GLN  QG      3.42 
 40 LEU  QB     41 PHE  HN      3.55 
 40 LEU  HG     45 LEU  QQD     8.69 
 40 LEU  QQD    43 SER  HN      6.61 
 40 LEU  QQD    45 LEU  QQD     7.21 
 41 PHE  HN     41 PHE  QB      3.41 
 41 PHE  HN     42 LEU  QB      5.25 
 41 PHE  HN     45 LEU  QB      5.25 
 41 PHE  HN     45 LEU  QQD     6.61 
 41 PHE  HA     45 LEU  QB      3.55 
 41 PHE  QB     42 LEU  HA      5.25 
 41 PHE  QD     45 LEU  QQD     8.62 
 42 LEU  HN     42 LEU  QB      3.40 
 45 LEU  QQD    46 SER  HN      4.80 
 45 LEU  QQD    46 SER  HA      6.61 
 46 SER  HN     46 SER  QB      3.41 
 46 SER  QB     47 PHE  HA      5.25 
 47 PHE  HN     48 VAL  QQG     6.61 
 47 PHE  HA     48 VAL  QQG     6.61 
 47 PHE  QB     48 VAL  HA      5.25 
 47 PHE  QB     48 VAL  QQG     7.74 
 48 VAL  QQG    49 CYSS HN      4.88 
 48 VAL  QQG    52 CYSS HN      6.61 
 49 CYSS QB     52 CYSS HN      5.25 
 49 CYSS QB     52 CYSS QB      6.97 
 50 PRO  QB     51 TRP  HA      7.29 
 50 PRO  QB     54 THR  HN      5.25 
 50 PRO  QB     54 THR  QG2     8.50 
 51 TRP  HN     51 TRP  QB      2.71 
 51 TRP  QB     53 ALA  HN      5.25 
 52 CYSS HA     56 CGLN QB      7.29 
 52 CYSS HA     56 CGLN QG      7.29 
 52 CYSS QB     56 CGLN HN      5.25 
 55 ASN  HN     55 ASN  QB      3.41 
 55 ASN  HN     55 ASN  QD2     5.53 
 55 ASN  QB     56 CGLN HN      3.55 
 56 CGLN HN     56 CGLN QB      3.41 
 56 CGLN HA     56 CGLN QG      3.42 
 10 HIS  HN     27 VAL  O       2.00
 12 ILE  HN     25 LEU  O       2.00
 14 CYS  HN     23 ILE  O       2.00
 16 CYSM HN     21 GLY  O       2.00
  8 GLN  O      29 SER  HN      2.00
 10 HIS  O      27 VAL  HN      2.00
 12 ILE  O      25 LEU  HN      2.00
 14 CYS  O      23 ILE  HN      2.00
 10 HIS  N      27 VAL  O       3.00
 12 ILE  N      25 LEU  O       3.00
 14 CYS  N      23 ILE  O       3.00
 16 CYSM N      21 GLY  O       3.00
  8 GLN  O      29 SER  N       3.00
 10 HIS  O      27 VAL  N       3.00
 12 ILE  O      25 LEU  N       3.00
 14 CYS  O      23 ILE  N       3.00
 35 ARG+ HN     31 ALA  O       2.00
 35 ARG+ N      31 ALA  O       3.00
 36 THR  HN     32 GLU- O       2.00
 36 THR  N      32 GLU- O       3.00
 37 LEU  HN     33 ASP- O       2.00
 37 LEU  N      33 ASP- O       3.00
 38 GLN  HN     34 LEU  O       2.00
 38 GLN  N      34 LEU  O       3.00
 39 GLN  HN     35 ARG+ O       2.00
 39 GLN  N      35 ARG+ O       3.00
 40 LEU  HN     36 THR  O       2.00
 40 LEU  N      36 THR  O       3.00
 41 PHE  HN     37 LEU  O       2.00
 41 PHE  N      37 LEU  O       3.00
 42 LEU  HN     38 GLN  O       2.00 
 42 LEU  N      38 GLN  O       3.00 
 43 SER  HN     39 GLN  O       2.00 
 43 SER  N      39 GLN  O       3.00 
 54 THR  HN     50 PRO  O       2.00
 54 THR  N      50 PRO  O       3.00
 55 ASN  HN     51 TRP  O       2.00
 55 ASN  N      51 TRP  O       3.00
 56 CGLN HN     52 CYSS O       2.00
 56 CGLN N      52 CYSS O       3.00
 16 CYSM ME     19 CYSS SG      2.40  
 16 CYSM ME     49 CYSS SG      2.40  
 16 CYSM ME     52 CYSS SG      2.40  
 16 CYSM SG     19 CYSS SG      3.85  5.00e+01 
 16 CYSM SG     49 CYSS SG      3.85  5.00e+01 
 16 CYSM SG     52 CYSS SG      3.85  5.00e+01 
 19 CYSS SG     49 CYSS SG      3.85  5.00e+01 
 19 CYSS SG     52 CYSS SG      3.85  5.00e+01 
 49 CYSS SG     52 CYSS SG      3.85  5.00e+01 
 41 PHE  QD     47 PHE  QD      6.00  
 41 PHE  QE     47 PHE  QD      6.00   
 41 PHE  HZ     47 PHE  QD      6.00 
 41 PHE  QE     47 PHE  QE      6.00 
 41 PHE  HZ     47 PHE  QE      6.00 

   5 ALA  H    HA    6.6
   6 GLU  H    HA    6.2
   8 GLN  H    HA    9.1   3.0
   9 ARG  H    HA    6.5
  10 HIS  H    HA    9.7
  11 LYS  H    HA    8.8
  12 ILE  H    HA   10.0
  13 LEU  H    HA    8.6
  14 CYS  H    HA    9.2
  15 VAL  H    HA    9.1
  16 CYSM H    HA    3.6
  17 CYS  H    HA    7.7
  18 LYS  H    HA    9.8
  19 CYSS H    HA   10.0
  20 ASP  H    HA    6.9   3.0
  21 GLY  H    HA2   4.3
  21 GLY  H    HA3   6.0
  22 ARG  H    HA    5.3
  23 ILE  H    HA    9.7
  24 GLU  H    HA    8.5
  25 LEU  H    HA    9.4
  26 THR  H    HA    9.3
  27 VAL  H    HA    9.6
  28 GLU  H    HA    9.1
  29 SER  H    HA    5.7   3.0
  30 SER  H    HA    6.2
  32 GLU  H    HA    4.2
  33 ASP  H    HA    5.7
  34 LEU  H    HA    3.7
  35 ARG  H    HA    3.9
  36 THR  H    HA    3.5
  37 LEU  H    HA    4.3
  38 GLN  H    HA    3.9
  39 GLN  H    HA    5.1
  40 LEU  H    HA    4.2
  41 PHE  H    HA    4.8
  42 LEU  H    HA    8.0
  43 SER  H    HA   10.1
  44 THR  H    HA    9.8   3.0
  45 LEU  H    HA    5.5
  46 SER  H    HA    9.2
  47 PHE  H    HA    8.4
  48 VAL  H    HA    8.4
  49 CYSS H    HA    4.7
  51 TRP  H    HA    6.1
  52 CYSS H    HA    5.8
  53 ALA  H    HA    3.9
  54 THR  H    HA    8.3
  55 ASN  H    HA    7.8
  56 GLN  H    HA    7.2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  11.980  16.677 -11.622
    2   1HA   GLY   1          1HA       GLY   1   9.282  15.642 -11.095
    3   2HA   GLY   1          2HA       GLY   1  10.631  14.734 -11.819
    4    H    SER   2           H        SER   2  10.226  13.222  -9.903
    5    HA   SER   2           HA       SER   2  12.223  13.754  -7.958
    6   1HB   SER   2          1HB       SER   2  10.173  14.749  -6.853
    7   2HB   SER   2          2HB       SER   2   9.405  13.149  -6.949
    8    HG   SER   2           HG       SER   2  10.509  13.599  -4.938
    9    H    HIS   3           H        HIS   3  12.135  11.558  -6.519
   10    HA   HIS   3           HA       HIS   3  11.747   9.269  -8.382
   11   1HB   HIS   3          1HB       HIS   3  14.328   9.819  -6.875
   12   2HB   HIS   3          2HB       HIS   3  14.008   8.511  -8.012
   13    HD1  HIS   3           HD1      HIS   3  15.781  11.636  -7.962
   14    HD2  HIS   3           HD2      HIS   3  13.091   9.790 -10.623
   15    HE1  HIS   3           HE1      HIS   3  16.087  12.781 -10.233
   16    H    MET   4           H        MET   4  10.385   7.978  -7.277
   17    HA   MET   4           HA       MET   4  11.161   6.914  -4.708
   18   1HB   MET   4          1HB       MET   4   9.649   9.047  -4.310
   19   2HB   MET   4          2HB       MET   4   8.343   8.056  -4.925
   20   1HG   MET   4          1HG       MET   4   8.295   7.875  -2.562
   21   2HG   MET   4          2HG       MET   4   8.901   6.337  -3.165
   22   1HE   MET   4          1HE       MET   4  11.617   9.518  -1.094
   23   2HE   MET   4          2HE       MET   4  11.216   9.653  -2.815
   24   3HE   MET   4          3HE       MET   4   9.934   9.823  -1.585
   25    H    ALA   5           H        ALA   5  11.290   4.896  -5.625
   26    HA   ALA   5           HA       ALA   5   9.103   3.800  -7.162
   27   1HB   ALA   5          1HB       ALA   5  11.974   4.103  -8.174
   28   2HB   ALA   5          2HB       ALA   5  10.655   3.333  -9.083
   29   3HB   ALA   5          3HB       ALA   5  10.603   5.084  -8.748
   30    H    GLU   6           H        GLU   6  10.304   3.172  -4.614
   31    HA   GLU   6           HA       GLU   6  12.211   1.039  -5.088
   32   1HB   GLU   6          1HB       GLU   6  11.033   2.161  -2.500
   33   2HB   GLU   6          2HB       GLU   6  12.361   1.016  -2.584
   34   1HG   GLU   6          1HG       GLU   6  13.354   3.176  -2.336
   35   2HG   GLU   6          2HG       GLU   6  13.687   2.632  -3.968
   36    HA   PRO   7           HA       PRO   7   9.469  -2.486  -4.470
   37   1HB   PRO   7          1HB       PRO   7  11.076  -4.308  -3.256
   38   2HB   PRO   7          2HB       PRO   7  11.279  -3.831  -4.966
   39   1HG   PRO   7          1HG       PRO   7  12.786  -2.770  -2.557
   40   2HG   PRO   7          2HG       PRO   7  13.462  -3.370  -4.108
   41   1HD   PRO   7          1HD       PRO   7  13.072  -0.724  -3.632
   42   2HD   PRO   7          2HD       PRO   7  12.798  -1.405  -5.254
   43    H    GLN   8           H        GLN   8   8.708  -3.904  -2.562
   44    HA   GLN   8           HA       GLN   8   7.260  -3.909  -1.018
   45   1HB   GLN   8          1HB       GLN   8   9.655  -2.805   0.340
   46   2HB   GLN   8          2HB       GLN   8   8.101  -2.774   1.182
   47   1HG   GLN   8          1HG       GLN   8   9.313  -4.769   1.807
   48   2HG   GLN   8          2HG       GLN   8   7.850  -5.193   0.927
   49   1HE2  GLN   8          1HE2      GLN   8  10.991  -4.092  -0.503
   50   2HE2  GLN   8          2HE2      GLN   8  11.352  -5.651  -1.242
   51    H    ARG   9           H        ARG   9   8.534  -0.568  -0.607
   52    HA   ARG   9           HA       ARG   9   6.142   0.633   0.187
   53   1HB   ARG   9          1HB       ARG   9   8.485   1.571   0.283
   54   2HB   ARG   9          2HB       ARG   9   8.311   2.029  -1.405
   55   1HG   ARG   9          1HG       ARG   9   7.588   3.945  -0.428
   56   2HG   ARG   9          2HG       ARG   9   6.070   3.041  -0.350
   57   1HD   ARG   9          1HD       ARG   9   6.430   2.450   1.944
   58   2HD   ARG   9          2HD       ARG   9   8.066   3.140   1.927
   59    HE   ARG   9           HE       ARG   9   6.230   5.146   1.198
   60   1HH1  ARG   9          1HH1      ARG   9   7.063   3.199   4.102
   61   2HH1  ARG   9          2HH1      ARG   9   6.583   4.426   5.215
   62   1HH2  ARG   9          1HH2      ARG   9   5.557   6.754   2.714
   63   2HH2  ARG   9          2HH2      ARG   9   5.698   6.466   4.413
   64    H    HIS  10           H        HIS  10   4.353  -0.021  -0.982
   65    HA   HIS  10           HA       HIS  10   4.184   0.824  -3.855
   66   1HB   HIS  10          1HB       HIS  10   3.177  -1.743  -2.573
   67   2HB   HIS  10          2HB       HIS  10   2.856  -1.230  -4.228
   68    HD1  HIS  10           HD1      HIS  10   4.652  -3.920  -3.146
   69    HD2  HIS  10           HD2      HIS  10   6.114  -0.288  -4.592
   70    HE1  HIS  10           HE1      HIS  10   6.886  -4.410  -4.109
   71    H    LYS  11           H        LYS  11   2.404   1.971  -4.387
   72    HA   LYS  11           HA       LYS  11   0.343   2.435  -2.308
   73   1HB   LYS  11          1HB       LYS  11   1.229   4.015  -4.743
   74   2HB   LYS  11          2HB       LYS  11  -0.112   4.432  -3.699
   75   1HG   LYS  11          1HG       LYS  11   1.263   5.489  -2.254
   76   2HG   LYS  11          2HG       LYS  11   2.112   3.983  -1.956
   77   1HD   LYS  11          1HD       LYS  11   3.856   5.255  -2.672
   78   2HD   LYS  11          2HD       LYS  11   3.394   4.563  -4.219
   79   1HE   LYS  11          1HE       LYS  11   2.635   7.285  -3.091
   80   2HE   LYS  11          2HE       LYS  11   3.833   6.994  -4.363
   81   1HZ   LYS  11          1HZ       LYS  11   1.809   7.740  -5.334
   82   2HZ   LYS  11          2HZ       LYS  11   0.885   6.679  -4.537
   83   3HZ   LYS  11          3HZ       LYS  11   1.919   6.135  -5.708
   84    H    ILE  12           H        ILE  12  -1.101   0.783  -2.576
   85    HA   ILE  12           HA       ILE  12  -2.102   0.169  -5.324
   86    HB   ILE  12           HB       ILE  12  -2.706  -1.251  -2.702
   87   1HG1  ILE  12          1HG1      ILE  12  -0.742  -2.256  -4.802
   88   2HG1  ILE  12          2HG1      ILE  12  -0.220  -1.368  -3.367
   89   1HG2  ILE  12          1HG2      ILE  12  -3.563  -3.039  -4.191
   90   2HG2  ILE  12          2HG2      ILE  12  -4.390  -1.525  -4.506
   91   3HG2  ILE  12          3HG2      ILE  12  -3.124  -2.068  -5.618
   92   1HD1  ILE  12          1HD1      ILE  12  -1.393  -3.025  -1.917
   93   2HD1  ILE  12          2HD1      ILE  12  -1.663  -4.022  -3.372
   94   3HD1  ILE  12          3HD1      ILE  12  -0.015  -3.662  -2.821
   95    H    LEU  13           H        LEU  13  -3.656   1.897  -5.757
   96    HA   LEU  13           HA       LEU  13  -5.251   2.648  -3.502
   97   1HB   LEU  13          1HB       LEU  13  -5.866   4.523  -4.423
   98   2HB   LEU  13          2HB       LEU  13  -4.166   4.338  -4.757
   99    HG   LEU  13           HG       LEU  13  -4.604   4.030  -7.098
  100   1HD1  LEU  13          1HD1      LEU  13  -7.464   3.829  -6.329
  101   2HD1  LEU  13          2HD1      LEU  13  -6.575   3.098  -7.653
  102   3HD1  LEU  13          3HD1      LEU  13  -7.090   4.782  -7.789
  103   1HD2  LEU  13          1HD2      LEU  13  -5.622   6.466  -5.687
  104   2HD2  LEU  13          2HD2      LEU  13  -5.418   6.378  -7.459
  105   3HD2  LEU  13          3HD2      LEU  13  -4.048   6.122  -6.367
  106    H    CYS  14           H        CYS  14  -7.032   2.080  -2.985
  107    HA   CYS  14           HA       CYS  14  -8.930   0.783  -4.869
  108   1HB   CYS  14          1HB       CYS  14  -7.809  -0.810  -3.196
  109   2HB   CYS  14          2HB       CYS  14  -8.666   0.066  -1.915
  110    HG   CYS  14           HG       CYS  14  -9.821  -1.601  -4.545
  111    H    VAL  15           H        VAL  15 -11.035   0.828  -2.652
  112    HA   VAL  15           HA       VAL  15 -11.348   3.735  -2.251
  113    HB   VAL  15           HB       VAL  15 -13.730   3.558  -2.991
  114   1HG1  VAL  15          1HG1      VAL  15 -11.687   3.098  -5.189
  115   2HG1  VAL  15          2HG1      VAL  15 -13.288   3.857  -5.349
  116   3HG1  VAL  15          3HG1      VAL  15 -12.052   4.651  -4.363
  117   1HG2  VAL  15          1HG2      VAL  15 -12.884   0.970  -4.366
  118   2HG2  VAL  15          2HG2      VAL  15 -13.982   1.084  -2.972
  119   3HG2  VAL  15          3HG2      VAL  15 -14.440   1.807  -4.520
  120    H    CYS  16           H        CYS  16 -12.911   4.316  -0.745
  121    HA   CYS  16           HA       CYS  16 -13.521   2.502   1.429
  122   1HB   CYS  16          1HB       CYS  16 -13.434   4.981   1.756
  123   2HB   CYS  16          2HB       CYS  16 -14.789   5.149   0.619
  124    H    CYS  17           H        CYS  17 -14.717   0.869   0.981
  125    HA   CYS  17           HA       CYS  17 -16.290   0.293  -1.206
  126   1HB   CYS  17          1HB       CYS  17 -15.323  -1.250   0.603
  127   2HB   CYS  17          2HB       CYS  17 -16.769  -0.883   1.561
  128    HG   CYS  17           HG       CYS  17 -18.374  -1.444  -0.583
  129    H    LYS  18           H        LYS  18 -17.328   2.417   1.328
  130    HA   LYS  18           HA       LYS  18 -20.164   2.091   0.524
  131   1HB   LYS  18          1HB       LYS  18 -20.648   2.895   2.832
  132   2HB   LYS  18          2HB       LYS  18 -19.958   1.274   2.659
  133   1HG   LYS  18          1HG       LYS  18 -17.738   2.192   3.349
  134   2HG   LYS  18          2HG       LYS  18 -18.479   3.781   3.556
  135   1HD   LYS  18          1HD       LYS  18 -18.161   2.530   5.683
  136   2HD   LYS  18          2HD       LYS  18 -19.850   2.959   5.379
  137   1HE   LYS  18          1HE       LYS  18 -20.398   0.701   4.784
  138   2HE   LYS  18          2HE       LYS  18 -18.695   0.239   4.621
  139   1HZ   LYS  18          1HZ       LYS  18 -19.821  -0.492   6.722
  140   2HZ   LYS  18          2HZ       LYS  18 -19.877   1.083   7.204
  141   3HZ   LYS  18          3HZ       LYS  18 -18.443   0.387   6.971
  142    H    CYS  19           H        CYS  19 -17.573   4.541   0.662
  143    HA   CYS  19           HA       CYS  19 -19.615   6.398  -0.380
  144   1HB   CYS  19          1HB       CYS  19 -18.397   8.136   0.551
  145   2HB   CYS  19          2HB       CYS  19 -18.728   6.998   1.844
  146    H    ASP  20           H        ASP  20 -17.187   4.394  -1.434
  147    HA   ASP  20           HA       ASP  20 -15.909   4.189  -3.174
  148   1HB   ASP  20          1HB       ASP  20 -18.049   4.727  -4.315
  149   2HB   ASP  20          2HB       ASP  20 -17.499   6.398  -4.475
  150    H    GLY  21           H        GLY  21 -15.177   6.261  -1.072
  151   1HA   GLY  21          1HA       GLY  21 -13.734   8.310  -2.659
  152   2HA   GLY  21          2HA       GLY  21 -13.669   8.237  -0.915
  153    H    ARG  22           H        ARG  22 -11.498   8.502  -2.812
  154    HA   ARG  22           HA       ARG  22 -10.381   6.092  -3.345
  155   1HB   ARG  22          1HB       ARG  22 -10.145   8.254  -4.616
  156   2HB   ARG  22          2HB       ARG  22  -9.152   8.915  -3.317
  157   1HG   ARG  22          1HG       ARG  22  -7.933   7.930  -5.424
  158   2HG   ARG  22          2HG       ARG  22  -7.316   7.452  -3.850
  159   1HD   ARG  22          1HD       ARG  22  -7.506   5.726  -5.395
  160   2HD   ARG  22          2HD       ARG  22  -8.256   5.358  -3.929
  161    HE   ARG  22           HE       ARG  22 -10.033   4.727  -5.095
  162   1HH1  ARG  22          1HH1      ARG  22  -8.554   7.157  -7.171
  163   2HH1  ARG  22          2HH1      ARG  22  -9.871   7.242  -8.295
  164   1HH2  ARG  22          1HH2      ARG  22 -11.896   4.962  -6.469
  165   2HH2  ARG  22          2HH2      ARG  22 -11.804   5.917  -7.890
  166    H    ILE  23           H        ILE  23  -9.262   4.710  -2.173
  167    HA   ILE  23           HA       ILE  23  -7.695   5.815   0.071
  168    HB   ILE  23           HB       ILE  23  -8.801   2.990  -0.234
  169   1HG1  ILE  23          1HG1      ILE  23  -9.501   5.145   1.822
  170   2HG1  ILE  23          2HG1      ILE  23 -10.521   4.685   0.458
  171   1HG2  ILE  23          1HG2      ILE  23  -7.710   2.665   1.987
  172   2HG2  ILE  23          2HG2      ILE  23  -6.538   3.084   0.751
  173   3HG2  ILE  23          3HG2      ILE  23  -7.062   4.330   1.890
  174   1HD1  ILE  23          1HD1      ILE  23 -10.535   2.306   1.363
  175   2HD1  ILE  23          2HD1      ILE  23  -9.814   2.967   2.853
  176   3HD1  ILE  23          3HD1      ILE  23 -11.400   3.530   2.304
  177    H    GLU  24           H        GLU  24  -5.821   6.263  -0.948
  178    HA   GLU  24           HA       GLU  24  -4.450   4.309  -2.632
  179   1HB   GLU  24          1HB       GLU  24  -4.041   6.518  -3.197
  180   2HB   GLU  24          2HB       GLU  24  -3.834   7.033  -1.542
  181   1HG   GLU  24          1HG       GLU  24  -1.675   5.847  -1.406
  182   2HG   GLU  24          2HG       GLU  24  -2.010   5.045  -2.943
  183    H    LEU  25           H        LEU  25  -4.246   2.352  -1.580
  184    HA   LEU  25           HA       LEU  25  -3.500   2.210   1.193
  185   1HB   LEU  25          1HB       LEU  25  -3.249  -0.060  -0.797
  186   2HB   LEU  25          2HB       LEU  25  -3.362  -0.163   0.928
  187    HG   LEU  25           HG       LEU  25  -5.662   0.921  -0.756
  188   1HD1  LEU  25          1HD1      LEU  25  -5.153  -1.977   0.049
  189   2HD1  LEU  25          2HD1      LEU  25  -5.139  -1.321  -1.600
  190   3HD1  LEU  25          3HD1      LEU  25  -6.646  -1.340  -0.677
  191   1HD2  LEU  25          1HD2      LEU  25  -7.003   0.325   1.185
  192   2HD2  LEU  25          2HD2      LEU  25  -5.620   1.272   1.780
  193   3HD2  LEU  25          3HD2      LEU  25  -5.623  -0.485   1.960
  194    H    THR  26           H        THR  26  -1.676   3.601   1.138
  195    HA   THR  26           HA       THR  26   0.819   2.820  -0.181
  196    HB   THR  26           HB       THR  26   0.344   4.620   2.234
  197    HG1  THR  26           HG1      THR  26  -0.630   5.329   0.276
  198   1HG2  THR  26          1HG2      THR  26   2.773   4.302   0.397
  199   2HG2  THR  26          2HG2      THR  26   2.698   3.847   2.113
  200   3HG2  THR  26          3HG2      THR  26   2.577   5.551   1.647
  201    H    VAL  27           H        VAL  27   1.429   0.753   0.213
  202    HA   VAL  27           HA       VAL  27   1.690  -0.119   3.048
  203    HB   VAL  27           HB       VAL  27   1.384  -2.425   2.235
  204   1HG1  VAL  27          1HG1      VAL  27  -0.522  -1.156   3.184
  205   2HG1  VAL  27          2HG1      VAL  27  -0.995  -0.656   1.547
  206   3HG1  VAL  27          3HG1      VAL  27  -1.035  -2.371   1.999
  207   1HG2  VAL  27          1HG2      VAL  27   0.447  -1.250  -0.420
  208   2HG2  VAL  27          2HG2      VAL  27   1.996  -2.087  -0.176
  209   3HG2  VAL  27          3HG2      VAL  27   0.476  -2.959   0.057
  210    H    GLU  28           H        GLU  28   3.446  -1.937   3.119
  211    HA   GLU  28           HA       GLU  28   5.561  -1.458   1.128
  212   1HB   GLU  28          1HB       GLU  28   5.829  -1.516   4.070
  213   2HB   GLU  28          2HB       GLU  28   7.104  -2.266   3.108
  214   1HG   GLU  28          1HG       GLU  28   7.496  -0.206   1.913
  215   2HG   GLU  28          2HG       GLU  28   6.041   0.524   2.610
  216    H    SER  29           H        SER  29   4.885  -3.232  -0.129
  217    HA   SER  29           HA       SER  29   4.581  -5.884   1.247
  218   1HB   SER  29          1HB       SER  29   2.755  -4.433  -0.668
  219   2HB   SER  29          2HB       SER  29   2.815  -6.208  -0.592
  220    HG   SER  29           HG       SER  29   1.859  -6.302   1.224
  221    H    SER  30           H        SER  30   5.621  -7.440   0.201
  222    HA   SER  30           HA       SER  30   7.335  -6.927  -2.080
  223   1HB   SER  30          1HB       SER  30   6.360  -9.625  -1.000
  224   2HB   SER  30          2HB       SER  30   7.840  -9.313  -1.930
  225    HG   SER  30           HG       SER  30   8.493  -7.920  -0.131
  226    H    ALA  31           H        ALA  31   7.125  -8.132  -4.181
  227    HA   ALA  31           HA       ALA  31   4.823  -7.460  -5.538
  228   1HB   ALA  31          1HB       ALA  31   5.614  -9.003  -7.312
  229   2HB   ALA  31          2HB       ALA  31   6.967  -8.069  -6.635
  230   3HB   ALA  31          3HB       ALA  31   6.724  -9.773  -6.168
  231    H    GLU  32           H        GLU  32   5.534 -10.640  -4.040
  232    HA   GLU  32           HA       GLU  32   3.194 -11.836  -5.145
  233   1HB   GLU  32          1HB       GLU  32   5.532 -12.772  -4.117
  234   2HB   GLU  32          2HB       GLU  32   4.461 -13.043  -2.727
  235   1HG   GLU  32          1HG       GLU  32   2.856 -14.198  -4.293
  236   2HG   GLU  32          2HG       GLU  32   3.977 -13.935  -5.620
  237    H    ASP  33           H        ASP  33   3.834 -10.205  -2.035
  238    HA   ASP  33           HA       ASP  33   1.337 -10.920  -0.799
  239   1HB   ASP  33          1HB       ASP  33   3.213 -10.167   0.563
  240   2HB   ASP  33          2HB       ASP  33   3.268  -8.624  -0.296
  241    H    LEU  34           H        LEU  34   2.594  -8.205  -2.730
  242    HA   LEU  34           HA       LEU  34   0.220  -6.606  -2.768
  243   1HB   LEU  34          1HB       LEU  34   2.336  -5.702  -3.414
  244   2HB   LEU  34          2HB       LEU  34   2.537  -6.842  -4.733
  245    HG   LEU  34           HG       LEU  34   0.080  -5.085  -4.803
  246   1HD1  LEU  34          1HD1      LEU  34   1.357  -3.231  -5.818
  247   2HD1  LEU  34          2HD1      LEU  34   2.881  -4.096  -5.528
  248   3HD1  LEU  34          3HD1      LEU  34   1.903  -3.525  -4.162
  249   1HD2  LEU  34          1HD2      LEU  34   0.427  -6.692  -6.658
  250   2HD2  LEU  34          2HD2      LEU  34   2.034  -6.011  -6.963
  251   3HD2  LEU  34          3HD2      LEU  34   0.574  -5.038  -7.233
  252    H    ARG  35           H        ARG  35   1.348  -9.214  -4.929
  253    HA   ARG  35           HA       ARG  35  -0.848  -9.192  -6.742
  254   1HB   ARG  35          1HB       ARG  35   1.346 -10.383  -7.076
  255   2HB   ARG  35          2HB       ARG  35   0.857 -11.558  -5.861
  256   1HG   ARG  35          1HG       ARG  35  -1.114 -12.180  -7.269
  257   2HG   ARG  35          2HG       ARG  35  -0.511 -11.079  -8.530
  258   1HD   ARG  35          1HD       ARG  35   1.586 -12.389  -8.659
  259   2HD   ARG  35          2HD       ARG  35   1.020 -13.431  -7.334
  260    HE   ARG  35           HE       ARG  35  -0.850 -13.351  -9.518
  261   1HH1  ARG  35          1HH1      ARG  35   2.155 -14.893  -8.462
  262   2HH1  ARG  35          2HH1      ARG  35   1.968 -16.306  -9.435
  263   1HH2  ARG  35          1HH2      ARG  35  -1.131 -15.230 -10.830
  264   2HH2  ARG  35          2HH2      ARG  35   0.047 -16.489 -10.819
  265    H    THR  36           H        THR  36  -0.210 -11.214  -3.855
  266    HA   THR  36           HA       THR  36  -2.597 -12.711  -3.958
  267    HB   THR  36           HB       THR  36  -0.980 -11.943  -1.495
  268    HG1  THR  36           HG1      THR  36   0.399 -12.864  -2.925
  269   1HG2  THR  36          1HG2      THR  36  -2.767 -14.358  -2.050
  270   2HG2  THR  36          2HG2      THR  36  -3.115 -13.047  -0.897
  271   3HG2  THR  36          3HG2      THR  36  -1.744 -14.132  -0.615
  272    H    LEU  37           H        LEU  37  -1.899  -9.698  -2.044
  273    HA   LEU  37           HA       LEU  37  -4.614  -9.575  -1.109
  274   1HB   LEU  37          1HB       LEU  37  -4.074  -7.694   0.040
  275   2HB   LEU  37          2HB       LEU  37  -2.549  -8.536  -0.058
  276    HG   LEU  37           HG       LEU  37  -2.178  -6.923  -2.183
  277   1HD1  LEU  37          1HD1      LEU  37  -3.157  -4.666  -1.716
  278   2HD1  LEU  37          2HD1      LEU  37  -4.128  -5.359  -0.416
  279   3HD1  LEU  37          3HD1      LEU  37  -4.416  -5.830  -2.101
  280   1HD2  LEU  37          1HD2      LEU  37  -1.921  -6.000   0.712
  281   2HD2  LEU  37          2HD2      LEU  37  -1.035  -5.335  -0.679
  282   3HD2  LEU  37          3HD2      LEU  37  -0.755  -7.002  -0.168
  283    H    GLN  38           H        GLN  38  -3.041  -8.453  -4.100
  284    HA   GLN  38           HA       GLN  38  -5.110  -6.805  -5.056
  285   1HB   GLN  38          1HB       GLN  38  -2.792  -7.897  -6.262
  286   2HB   GLN  38          2HB       GLN  38  -4.083  -8.686  -7.101
  287   1HG   GLN  38          1HG       GLN  38  -3.669  -6.809  -8.330
  288   2HG   GLN  38          2HG       GLN  38  -5.169  -6.477  -7.472
  289   1HE2  GLN  38          1HE2      GLN  38  -2.207  -6.213  -5.429
  290   2HE2  GLN  38          2HE2      GLN  38  -2.195  -4.457  -5.525
  291    H    GLN  39           H        GLN  39  -4.659 -10.377  -5.215
  292    HA   GLN  39           HA       GLN  39  -6.960 -10.887  -6.770
  293   1HB   GLN  39          1HB       GLN  39  -5.902 -12.835  -4.761
  294   2HB   GLN  39          2HB       GLN  39  -6.822 -13.132  -6.242
  295   1HG   GLN  39          1HG       GLN  39  -3.945 -12.427  -5.906
  296   2HG   GLN  39          2HG       GLN  39  -4.659 -13.827  -6.688
  297   1HE2  GLN  39          1HE2      GLN  39  -3.243 -10.823  -7.197
  298   2HE2  GLN  39          2HE2      GLN  39  -3.590 -10.686  -8.927
  299    H    LEU  40           H        LEU  40  -6.410 -10.799  -3.227
  300    HA   LEU  40           HA       LEU  40  -9.038 -11.585  -2.427
  301   1HB   LEU  40          1HB       LEU  40  -7.006  -9.816  -1.011
  302   2HB   LEU  40          2HB       LEU  40  -8.484 -10.410  -0.267
  303    HG   LEU  40           HG       LEU  40  -6.267 -12.208  -1.346
  304   1HD1  LEU  40          1HD1      LEU  40  -5.541 -10.889   0.611
  305   2HD1  LEU  40          2HD1      LEU  40  -5.723 -12.599   1.020
  306   3HD1  LEU  40          3HD1      LEU  40  -6.969 -11.433   1.518
  307   1HD2  LEU  40          1HD2      LEU  40  -8.776 -12.846   0.273
  308   2HD2  LEU  40          2HD2      LEU  40  -7.445 -13.981  -0.037
  309   3HD2  LEU  40          3HD2      LEU  40  -8.412 -13.386  -1.383
  310    H    PHE  41           H        PHE  41  -7.696  -8.258  -2.931
  311    HA   PHE  41           HA       PHE  41 -10.215  -6.982  -2.351
  312   1HB   PHE  41          1HB       PHE  41  -7.613  -6.105  -3.578
  313   2HB   PHE  41          2HB       PHE  41  -9.029  -5.112  -3.813
  314    HD1  PHE  41           HD1      PHE  41  -6.739  -6.440  -1.150
  315    HD2  PHE  41           HD2      PHE  41  -9.990  -3.753  -2.069
  316    HE1  PHE  41           HE1      PHE  41  -6.308  -5.206   0.928
  317    HE2  PHE  41           HE2      PHE  41  -9.513  -2.494  -0.000
  318    HZ   PHE  41           HZ       PHE  41  -7.648  -3.200   1.490
  319    H    LEU  42           H        LEU  42  -8.786  -8.241  -5.371
  320    HA   LEU  42           HA       LEU  42 -10.832  -7.270  -7.129
  321   1HB   LEU  42          1HB       LEU  42  -8.646  -7.989  -7.856
  322   2HB   LEU  42          2HB       LEU  42  -8.894  -9.624  -7.273
  323    HG   LEU  42           HG       LEU  42 -10.774  -8.530  -9.377
  324   1HD1  LEU  42          1HD1      LEU  42  -8.526  -7.952 -10.194
  325   2HD1  LEU  42          2HD1      LEU  42  -9.203  -9.284 -11.138
  326   3HD1  LEU  42          3HD1      LEU  42  -7.968  -9.615  -9.902
  327   1HD2  LEU  42          1HD2      LEU  42  -9.571 -11.306  -8.862
  328   2HD2  LEU  42          2HD2      LEU  42 -10.715 -10.900 -10.160
  329   3HD2  LEU  42          3HD2      LEU  42 -11.233 -10.814  -8.483
  330    H    SER  43           H        SER  43 -10.515 -10.232  -5.169
  331    HA   SER  43           HA       SER  43 -12.815 -11.571  -6.175
  332   1HB   SER  43          1HB       SER  43 -11.025 -12.778  -5.081
  333   2HB   SER  43          2HB       SER  43 -11.149 -11.794  -3.632
  334    HG   SER  43           HG       SER  43 -12.978 -13.735  -4.552
  335    H    THR  44           H        THR  44 -12.322 -10.075  -2.960
  336    HA   THR  44           HA       THR  44 -15.163  -9.607  -2.656
  337    HB   THR  44           HB       THR  44 -14.840 -11.119  -0.463
  338    HG1  THR  44           HG1      THR  44 -13.105 -12.455  -2.289
  339   1HG2  THR  44          1HG2      THR  44 -15.743 -13.045  -1.577
  340   2HG2  THR  44          2HG2      THR  44 -15.229 -12.438  -3.166
  341   3HG2  THR  44          3HG2      THR  44 -16.478 -11.569  -2.246
  342    H    LEU  45           H        LEU  45 -11.931  -9.388  -1.277
  343    HA   LEU  45           HA       LEU  45 -12.725  -8.017   1.131
  344   1HB   LEU  45          1HB       LEU  45 -10.584  -9.236   0.859
  345   2HB   LEU  45          2HB       LEU  45 -10.065  -8.061  -0.347
  346    HG   LEU  45           HG       LEU  45  -9.993  -6.280   1.344
  347   1HD1  LEU  45          1HD1      LEU  45 -11.733  -7.027   2.938
  348   2HD1  LEU  45          2HD1      LEU  45 -10.187  -6.853   3.763
  349   3HD1  LEU  45          3HD1      LEU  45 -10.777  -8.471   3.328
  350   1HD2  LEU  45          1HD2      LEU  45  -8.045  -7.125   2.568
  351   2HD2  LEU  45          2HD2      LEU  45  -8.011  -7.712   0.898
  352   3HD2  LEU  45          3HD2      LEU  45  -8.508  -8.803   2.206
  353    H    SER  46           H        SER  46 -12.657  -5.725   1.621
  354    HA   SER  46           HA       SER  46 -11.624  -3.825  -0.182
  355   1HB   SER  46          1HB       SER  46 -14.656  -4.002   0.076
  356   2HB   SER  46          2HB       SER  46 -13.802  -2.511  -0.387
  357    HG   SER  46           HG       SER  46 -13.152  -4.894  -1.730
  358    H    PHE  47           H        PHE  47 -12.116  -1.530   0.905
  359    HA   PHE  47           HA       PHE  47 -11.835  -1.878   3.825
  360   1HB   PHE  47          1HB       PHE  47 -10.068  -0.624   1.707
  361   2HB   PHE  47          2HB       PHE  47 -10.228   0.204   3.228
  362    HD1  PHE  47           HD1      PHE  47 -10.181  -3.563   3.290
  363    HD2  PHE  47           HD2      PHE  47  -7.855   0.069   3.550
  364    HE1  PHE  47           HE1      PHE  47  -8.364  -4.801   4.360
  365    HE2  PHE  47           HE2      PHE  47  -6.020  -1.202   4.617
  366    HZ   PHE  47           HZ       PHE  47  -6.272  -3.640   5.036
  367    H    VAL  48           H        VAL  48 -11.996   0.483   4.795
  368    HA   VAL  48           HA       VAL  48 -13.895   2.148   3.424
  369    HB   VAL  48           HB       VAL  48 -15.017   2.449   5.589
  370   1HG1  VAL  48          1HG1      VAL  48 -15.932   0.984   3.751
  371   2HG1  VAL  48          2HG1      VAL  48 -15.232  -0.416   4.571
  372   3HG1  VAL  48          3HG1      VAL  48 -16.496   0.529   5.375
  373   1HG2  VAL  48          1HG2      VAL  48 -13.694  -0.126   6.494
  374   2HG2  VAL  48          2HG2      VAL  48 -13.341   1.496   7.132
  375   3HG2  VAL  48          3HG2      VAL  48 -14.950   0.791   7.349
  376    H    CYS  49           H        CYS  49 -13.666   4.373   4.059
  377    HA   CYS  49           HA       CYS  49 -10.946   5.059   4.867
  378   1HB   CYS  49          1HB       CYS  49 -11.726   7.375   4.462
  379   2HB   CYS  49          2HB       CYS  49 -12.040   6.317   3.099
  380    HA   PRO  50           HA       PRO  50 -11.668   5.409   9.132
  381   1HB   PRO  50          1HB       PRO  50 -10.375   7.719   9.968
  382   2HB   PRO  50          2HB       PRO  50  -9.582   6.174   9.540
  383   1HG   PRO  50          1HG       PRO  50  -9.993   8.611   7.787
  384   2HG   PRO  50          2HG       PRO  50  -8.505   7.631   7.999
  385   1HD   PRO  50          1HD       PRO  50 -10.124   7.252   5.875
  386   2HD   PRO  50          2HD       PRO  50  -9.393   5.847   6.704
  387    H    TRP  51           H        TRP  51 -12.658   8.288   7.305
  388    HA   TRP  51           HA       TRP  51 -14.394   9.444   9.248
  389   1HB   TRP  51          1HB       TRP  51 -13.828  10.654   7.234
  390   2HB   TRP  51          2HB       TRP  51 -14.487   9.378   6.213
  391    HD1  TRP  51           HD1      TRP  51 -15.831  11.790   8.941
  392    HE1  TRP  51           HE1      TRP  51 -18.263  12.419   8.374
  393    HE3  TRP  51           HE3      TRP  51 -16.393   9.128   4.597
  394    HZ2  TRP  51           HZ2      TRP  51 -20.196  11.832   6.329
  395    HZ3  TRP  51           HZ3      TRP  51 -18.539   9.180   3.371
  396    HH2  TRP  51           HH2      TRP  51 -20.449  10.516   4.229
  397    H    CYS  52           H        CYS  52 -15.185   7.137   6.550
  398    HA   CYS  52           HA       CYS  52 -17.811   6.576   7.475
  399   1HB   CYS  52          1HB       CYS  52 -15.906   4.895   5.808
  400   2HB   CYS  52          2HB       CYS  52 -17.605   4.523   6.120
  401    H    ALA  53           H        ALA  53 -14.661   4.936   8.193
  402    HA   ALA  53           HA       ALA  53 -15.761   2.841   9.752
  403   1HB   ALA  53          1HB       ALA  53 -13.364   3.028   8.975
  404   2HB   ALA  53          2HB       ALA  53 -13.105   4.231  10.264
  405   3HB   ALA  53          3HB       ALA  53 -13.550   2.571  10.681
  406    H    THR  54           H        THR  54 -15.139   6.226  10.648
  407    HA   THR  54           HA       THR  54 -15.697   5.803  13.478
  408    HB   THR  54           HB       THR  54 -15.587   8.389  11.862
  409    HG1  THR  54           HG1      THR  54 -13.639   7.344  11.616
  410   1HG2  THR  54          1HG2      THR  54 -16.552   8.732  14.099
  411   2HG2  THR  54          2HG2      THR  54 -14.916   9.404  14.025
  412   3HG2  THR  54          3HG2      THR  54 -15.196   7.848  14.837
  413    H    ASN  55           H        ASN  55 -17.559   6.772  10.598
  414    HA   ASN  55           HA       ASN  55 -19.836   7.728  12.190
  415   1HB   ASN  55          1HB       ASN  55 -19.331   7.476   9.198
  416   2HB   ASN  55          2HB       ASN  55 -20.914   7.880   9.853
  417   1HD2  ASN  55          1HD2      ASN  55 -17.471   8.976  10.011
  418   2HD2  ASN  55          2HD2      ASN  55 -17.927  10.650  10.330
  419    H    GLN  56           H        GLN  56 -19.256   5.049   9.950
  420    HA   GLN  56           HA       GLN  56 -19.950   2.797  10.828
  421   1HB   GLN  56          1HB       GLN  56 -22.041   3.528  11.814
  422   2HB   GLN  56          2HB       GLN  56 -22.635   4.076  10.227
  423   1HG   GLN  56          1HG       GLN  56 -22.696   1.762   9.433
  424   2HG   GLN  56          2HG       GLN  56 -21.867   1.190  10.887
  425   1HE2  GLN  56          1HE2      GLN  56 -23.184   2.140  13.035
  426   2HE2  GLN  56          2HE2      GLN  56 -24.886   1.693  12.947
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1  18.623   4.668   1.306
    2   1HA   GLY   1          1HA       GLY   1  18.127   6.272   3.076
    3   2HA   GLY   1          2HA       GLY   1  18.152   7.013   1.453
    4    H    SER   2           H        SER   2  16.245   7.857   0.606
    5    HA   SER   2           HA       SER   2  13.635   7.097   1.724
    6   1HB   SER   2          1HB       SER   2  13.928   9.214   0.387
    7   2HB   SER   2          2HB       SER   2  14.369   8.219  -1.018
    8    HG   SER   2           HG       SER   2  12.119   8.788  -0.914
    9    H    HIS   3           H        HIS   3  12.336   5.598   0.297
   10    HA   HIS   3           HA       HIS   3  13.869   3.544  -1.172
   11   1HB   HIS   3          1HB       HIS   3  12.381   3.062   1.438
   12   2HB   HIS   3          2HB       HIS   3  12.707   1.791   0.257
   13    HD1  HIS   3           HD1      HIS   3  15.399   1.436  -0.373
   14    HD2  HIS   3           HD2      HIS   3  14.407   3.604   3.117
   15    HE1  HIS   3           HE1      HIS   3  17.478   1.408   1.135
   16    H    MET   4           H        MET   4  12.804   3.905  -3.004
   17    HA   MET   4           HA       MET   4  10.101   2.971  -3.218
   18   1HB   MET   4          1HB       MET   4   9.904   5.505  -2.724
   19   2HB   MET   4          2HB       MET   4  10.573   5.765  -4.337
   20   1HG   MET   4          1HG       MET   4   8.675   4.582  -5.343
   21   2HG   MET   4          2HG       MET   4   8.131   4.032  -3.764
   22   1HE   MET   4          1HE       MET   4   9.274   7.632  -5.094
   23   2HE   MET   4          2HE       MET   4   8.261   6.890  -6.353
   24   3HE   MET   4          3HE       MET   4   7.672   8.309  -5.458
   25    H    ALA   5           H        ALA   5  12.648   1.991  -3.953
   26    HA   ALA   5           HA       ALA   5  12.499   1.889  -6.835
   27   1HB   ALA   5          1HB       ALA   5  15.068   2.392  -5.261
   28   2HB   ALA   5          2HB       ALA   5  14.969   2.113  -7.013
   29   3HB   ALA   5          3HB       ALA   5  14.255   3.579  -6.314
   30    H    GLU   6           H        GLU   6  11.588   0.229  -4.679
   31    HA   GLU   6           HA       GLU   6  13.158  -2.261  -5.027
   32   1HB   GLU   6          1HB       GLU   6  11.932  -1.203  -2.421
   33   2HB   GLU   6          2HB       GLU   6  12.738  -2.740  -2.648
   34   1HG   GLU   6          1HG       GLU   6  14.409  -1.568  -1.660
   35   2HG   GLU   6          2HG       GLU   6  14.829  -1.347  -3.350
   36    HA   PRO   7           HA       PRO   7   8.923  -3.805  -5.631
   37   1HB   PRO   7          1HB       PRO   7   9.217  -6.482  -5.329
   38   2HB   PRO   7          2HB       PRO   7  10.043  -5.598  -6.641
   39   1HG   PRO   7          1HG       PRO   7  11.197  -6.362  -3.933
   40   2HG   PRO   7          2HG       PRO   7  11.885  -6.697  -5.556
   41   1HD   PRO   7          1HD       PRO   7  12.638  -4.528  -4.072
   42   2HD   PRO   7          2HD       PRO   7  12.519  -4.447  -5.856
   43    H    GLN   8           H        GLN   8   9.053  -2.440  -3.411
   44    HA   GLN   8           HA       GLN   8   7.860  -4.053  -1.225
   45   1HB   GLN   8          1HB       GLN   8  10.478  -3.554  -1.103
   46   2HB   GLN   8          2HB       GLN   8   9.963  -1.965  -0.563
   47   1HG   GLN   8          1HG       GLN   8  10.326  -3.314   1.377
   48   2HG   GLN   8          2HG       GLN   8   8.579  -3.134   1.228
   49   1HE2  GLN   8          1HE2      GLN   8   7.414  -5.053   1.397
   50   2HE2  GLN   8          2HE2      GLN   8   8.071  -6.642   0.966
   51    H    ARG   9           H        ARG   9   8.864  -0.595  -1.385
   52    HA   ARG   9           HA       ARG   9   6.494   0.448  -0.483
   53   1HB   ARG   9          1HB       ARG   9   8.915   1.497  -1.004
   54   2HB   ARG   9          2HB       ARG   9   8.055   2.183  -2.371
   55   1HG   ARG   9          1HG       ARG   9   6.389   2.550  -0.112
   56   2HG   ARG   9          2HG       ARG   9   8.048   2.784   0.441
   57   1HD   ARG   9          1HD       ARG   9   8.371   4.508  -1.300
   58   2HD   ARG   9          2HD       ARG   9   6.644   4.340  -1.723
   59    HE   ARG   9           HE       ARG   9   7.136   4.665   1.106
   60   1HH1  ARG   9          1HH1      ARG   9   6.874   6.554  -1.879
   61   2HH1  ARG   9          2HH1      ARG   9   6.337   8.010  -1.109
   62   1HH2  ARG   9          1HH2      ARG   9   6.427   6.568   2.152
   63   2HH2  ARG   9          2HH2      ARG   9   6.086   8.019   1.273
   64    H    HIS  10           H        HIS  10   4.556   0.051  -1.267
   65    HA   HIS  10           HA       HIS  10   4.027   0.344  -4.199
   66   1HB   HIS  10          1HB       HIS  10   2.992  -1.798  -2.299
   67   2HB   HIS  10          2HB       HIS  10   2.425  -1.547  -3.950
   68    HD1  HIS  10           HD1      HIS  10   4.104  -4.229  -2.687
   69    HD2  HIS  10           HD2      HIS  10   5.648  -1.115  -4.987
   70    HE1  HIS  10           HE1      HIS  10   6.031  -5.176  -3.883
   71    H    LYS  11           H        LYS  11   1.870   1.075  -4.717
   72    HA   LYS  11           HA       LYS  11   0.444   2.351  -2.439
   73   1HB   LYS  11          1HB       LYS  11   0.940   3.587  -5.169
   74   2HB   LYS  11          2HB       LYS  11   0.001   4.279  -3.834
   75   1HG   LYS  11          1HG       LYS  11   2.169   4.064  -2.430
   76   2HG   LYS  11          2HG       LYS  11   3.012   3.816  -3.963
   77   1HD   LYS  11          1HD       LYS  11   1.302   6.216  -3.193
   78   2HD   LYS  11          2HD       LYS  11   3.068   6.174  -3.190
   79   1HE   LYS  11          1HE       LYS  11   3.213   6.058  -5.562
   80   2HE   LYS  11          2HE       LYS  11   1.520   5.552  -5.718
   81   1HZ   LYS  11          1HZ       LYS  11   1.746   7.850  -6.313
   82   2HZ   LYS  11          2HZ       LYS  11   2.337   8.227  -4.808
   83   3HZ   LYS  11          3HZ       LYS  11   0.797   7.657  -4.980
   84    H    ILE  12           H        ILE  12  -1.183   0.992  -2.198
   85    HA   ILE  12           HA       ILE  12  -2.520  -0.120  -4.607
   86    HB   ILE  12           HB       ILE  12  -2.753  -0.864  -1.680
   87   1HG1  ILE  12          1HG1      ILE  12  -1.443  -2.622  -3.713
   88   2HG1  ILE  12          2HG1      ILE  12  -0.487  -1.346  -2.985
   89   1HG2  ILE  12          1HG2      ILE  12  -3.943  -2.881  -2.556
   90   2HG2  ILE  12          2HG2      ILE  12  -4.805  -1.398  -2.939
   91   3HG2  ILE  12          3HG2      ILE  12  -3.849  -2.200  -4.197
   92   1HD1  ILE  12          1HD1      ILE  12  -0.247  -3.426  -1.701
   93   2HD1  ILE  12          2HD1      ILE  12  -0.960  -2.116  -0.737
   94   3HD1  ILE  12          3HD1      ILE  12  -1.989  -3.403  -1.341
   95    H    LEU  13           H        LEU  13  -3.864   1.512  -5.289
   96    HA   LEU  13           HA       LEU  13  -5.619   2.980  -3.557
   97   1HB   LEU  13          1HB       LEU  13  -4.877   3.733  -5.784
   98   2HB   LEU  13          2HB       LEU  13  -5.871   2.492  -6.544
   99    HG   LEU  13           HG       LEU  13  -7.180   4.360  -4.535
  100   1HD1  LEU  13          1HD1      LEU  13  -6.384   5.110  -7.361
  101   2HD1  LEU  13          2HD1      LEU  13  -5.824   5.859  -5.849
  102   3HD1  LEU  13          3HD1      LEU  13  -7.523   6.027  -6.353
  103   1HD2  LEU  13          1HD2      LEU  13  -8.133   3.158  -7.185
  104   2HD2  LEU  13          2HD2      LEU  13  -9.096   4.210  -6.129
  105   3HD2  LEU  13          3HD2      LEU  13  -8.606   2.621  -5.563
  106    H    CYS  14           H        CYS  14  -6.820   1.776  -2.244
  107    HA   CYS  14           HA       CYS  14  -8.758  -0.109  -3.564
  108   1HB   CYS  14          1HB       CYS  14  -9.296  -0.991  -1.416
  109   2HB   CYS  14          2HB       CYS  14  -7.532  -1.028  -1.602
  110    HG   CYS  14           HG       CYS  14  -7.205   1.320  -0.335
  111    H    VAL  15           H        VAL  15 -11.002   0.202  -1.959
  112    HA   VAL  15           HA       VAL  15 -11.569   3.084  -1.916
  113    HB   VAL  15           HB       VAL  15 -13.836   2.668  -2.819
  114   1HG1  VAL  15          1HG1      VAL  15 -13.215   2.659  -5.172
  115   2HG1  VAL  15          2HG1      VAL  15 -12.091   3.647  -4.239
  116   3HG1  VAL  15          3HG1      VAL  15 -11.600   2.025  -4.784
  117   1HG2  VAL  15          1HG2      VAL  15 -14.333   0.691  -4.150
  118   2HG2  VAL  15          2HG2      VAL  15 -12.764  -0.034  -3.752
  119   3HG2  VAL  15          3HG2      VAL  15 -13.990   0.209  -2.486
  120    H    CYS  16           H        CYS  16 -13.042   3.716  -0.503
  121    HA   CYS  16           HA       CYS  16 -13.769   2.146   1.826
  122   1HB   CYS  16          1HB       CYS  16 -13.436   4.646   1.853
  123   2HB   CYS  16          2HB       CYS  16 -14.827   4.784   0.765
  124    H    CYS  17           H        CYS  17 -15.122   0.508   1.423
  125    HA   CYS  17           HA       CYS  17 -16.807   0.149  -0.762
  126   1HB   CYS  17          1HB       CYS  17 -15.827  -1.549   0.917
  127   2HB   CYS  17          2HB       CYS  17 -17.221  -1.168   1.947
  128    HG   CYS  17           HG       CYS  17 -18.932  -1.505  -0.139
  129    H    LYS  18           H        LYS  18 -17.535   2.303   1.851
  130    HA   LYS  18           HA       LYS  18 -20.428   2.103   1.260
  131   1HB   LYS  18          1HB       LYS  18 -20.753   3.106   3.446
  132   2HB   LYS  18          2HB       LYS  18 -20.049   1.477   3.456
  133   1HG   LYS  18          1HG       LYS  18 -17.902   2.347   4.137
  134   2HG   LYS  18          2HG       LYS  18 -18.448   4.018   3.896
  135   1HD   LYS  18          1HD       LYS  18 -18.438   3.423   6.268
  136   2HD   LYS  18          2HD       LYS  18 -20.073   3.806   5.719
  137   1HE   LYS  18          1HE       LYS  18 -20.506   1.335   5.487
  138   2HE   LYS  18          2HE       LYS  18 -18.926   1.015   6.216
  139   1HZ   LYS  18          1HZ       LYS  18 -19.710   1.994   8.265
  140   2HZ   LYS  18          2HZ       LYS  18 -20.880   0.980   7.757
  141   3HZ   LYS  18          3HZ       LYS  18 -21.073   2.593   7.550
  142    H    CYS  19           H        CYS  19 -17.692   4.358   0.924
  143    HA   CYS  19           HA       CYS  19 -19.710   6.276  -0.074
  144   1HB   CYS  19          1HB       CYS  19 -18.235   7.983   0.495
  145   2HB   CYS  19          2HB       CYS  19 -18.520   7.032   1.941
  146    H    ASP  20           H        ASP  20 -17.523   3.981  -1.117
  147    HA   ASP  20           HA       ASP  20 -16.242   3.557  -2.813
  148   1HB   ASP  20          1HB       ASP  20 -18.406   3.873  -4.009
  149   2HB   ASP  20          2HB       ASP  20 -17.882   5.508  -4.418
  150    H    GLY  21           H        GLY  21 -15.498   5.736  -1.003
  151   1HA   GLY  21          1HA       GLY  21 -14.033   7.672  -2.678
  152   2HA   GLY  21          2HA       GLY  21 -13.977   7.631  -0.919
  153    H    ARG  22           H        ARG  22 -11.987   7.692  -3.008
  154    HA   ARG  22           HA       ARG  22 -10.729   5.081  -3.165
  155   1HB   ARG  22          1HB       ARG  22  -9.213   6.090  -4.676
  156   2HB   ARG  22          2HB       ARG  22 -10.811   6.748  -4.991
  157   1HG   ARG  22          1HG       ARG  22  -9.631   8.685  -5.139
  158   2HG   ARG  22          2HG       ARG  22  -9.934   8.737  -3.396
  159   1HD   ARG  22          1HD       ARG  22  -7.677   7.656  -3.048
  160   2HD   ARG  22          2HD       ARG  22  -7.456   7.667  -4.804
  161    HE   ARG  22           HE       ARG  22  -8.003  10.285  -3.654
  162   1HH1  ARG  22          1HH1      ARG  22  -5.531   7.927  -4.464
  163   2HH1  ARG  22          2HH1      ARG  22  -4.148   8.920  -4.219
  164   1HH2  ARG  22          1HH2      ARG  22  -6.185  11.823  -3.527
  165   2HH2  ARG  22          2HH2      ARG  22  -4.584  11.228  -3.835
  166    H    ILE  23           H        ILE  23  -8.994   4.255  -2.048
  167    HA   ILE  23           HA       ILE  23  -7.670   6.059  -0.085
  168    HB   ILE  23           HB       ILE  23  -8.385   3.168   0.360
  169   1HG1  ILE  23          1HG1      ILE  23  -9.891   5.502   1.575
  170   2HG1  ILE  23          2HG1      ILE  23 -10.492   4.459   0.283
  171   1HG2  ILE  23          1HG2      ILE  23  -6.389   4.156   1.553
  172   2HG2  ILE  23          2HG2      ILE  23  -7.483   5.324   2.313
  173   3HG2  ILE  23          3HG2      ILE  23  -7.641   3.578   2.648
  174   1HD1  ILE  23          1HD1      ILE  23 -11.444   3.661   2.314
  175   2HD1  ILE  23          2HD1      ILE  23 -10.267   2.464   1.760
  176   3HD1  ILE  23          3HD1      ILE  23  -9.869   3.557   3.110
  177    H    GLU  24           H        GLU  24  -5.785   6.358  -1.147
  178    HA   GLU  24           HA       GLU  24  -4.349   4.321  -2.644
  179   1HB   GLU  24          1HB       GLU  24  -4.410   6.643  -3.275
  180   2HB   GLU  24          2HB       GLU  24  -3.650   7.142  -1.754
  181   1HG   GLU  24          1HG       GLU  24  -1.591   5.902  -2.418
  182   2HG   GLU  24          2HG       GLU  24  -2.391   5.375  -3.902
  183    H    LEU  25           H        LEU  25  -4.080   2.613  -1.137
  184    HA   LEU  25           HA       LEU  25  -2.945   3.023   1.433
  185   1HB   LEU  25          1HB       LEU  25  -2.895   0.448  -0.123
  186   2HB   LEU  25          2HB       LEU  25  -2.732   0.636   1.602
  187    HG   LEU  25           HG       LEU  25  -5.262   1.235   0.009
  188   1HD1  LEU  25          1HD1      LEU  25  -4.407  -1.222   1.605
  189   2HD1  LEU  25          2HD1      LEU  25  -4.711  -1.126  -0.140
  190   3HD1  LEU  25          3HD1      LEU  25  -6.049  -0.939   0.995
  191   1HD2  LEU  25          1HD2      LEU  25  -5.026   2.451   2.214
  192   2HD2  LEU  25          2HD2      LEU  25  -4.819   0.890   3.023
  193   3HD2  LEU  25          3HD2      LEU  25  -6.352   1.285   2.215
  194    H    THR  26           H        THR  26  -1.046   4.302   1.014
  195    HA   THR  26           HA       THR  26   1.213   3.185  -0.485
  196    HB   THR  26           HB       THR  26   1.141   5.424   1.573
  197    HG1  THR  26           HG1      THR  26  -0.106   5.699  -0.375
  198   1HG2  THR  26          1HG2      THR  26   3.294   6.097   0.488
  199   2HG2  THR  26          2HG2      THR  26   3.275   4.596  -0.465
  200   3HG2  THR  26          3HG2      THR  26   3.430   4.528   1.298
  201    H    VAL  27           H        VAL  27   1.933   1.257   0.170
  202    HA   VAL  27           HA       VAL  27   2.578   0.843   3.050
  203    HB   VAL  27           HB       VAL  27   2.037  -1.530   2.760
  204   1HG1  VAL  27          1HG1      VAL  27   0.285  -0.006   3.628
  205   2HG1  VAL  27          2HG1      VAL  27  -0.355   0.177   1.980
  206   3HG1  VAL  27          3HG1      VAL  27  -0.383  -1.408   2.777
  207   1HG2  VAL  27          1HG2      VAL  27   2.395  -1.740   0.302
  208   2HG2  VAL  27          2HG2      VAL  27   0.842  -2.396   0.819
  209   3HG2  VAL  27          3HG2      VAL  27   0.911  -0.807   0.017
  210    H    GLU  28           H        GLU  28   4.250  -1.051   3.178
  211    HA   GLU  28           HA       GLU  28   6.035  -1.162   0.826
  212   1HB   GLU  28          1HB       GLU  28   6.778  -0.618   3.685
  213   2HB   GLU  28          2HB       GLU  28   7.924  -1.403   2.598
  214   1HG   GLU  28          1HG       GLU  28   8.126   0.463   1.234
  215   2HG   GLU  28          2HG       GLU  28   6.558   1.122   1.707
  216    H    SER  29           H        SER  29   5.266  -3.197   0.075
  217    HA   SER  29           HA       SER  29   5.258  -5.449   1.959
  218   1HB   SER  29          1HB       SER  29   2.864  -4.157   0.595
  219   2HB   SER  29          2HB       SER  29   2.916  -5.759   1.323
  220    HG   SER  29           HG       SER  29   3.975  -3.913   3.004
  221    H    SER  30           H        SER  30   5.686  -7.263   0.849
  222    HA   SER  30           HA       SER  30   7.133  -6.848  -1.472
  223   1HB   SER  30          1HB       SER  30   6.253  -9.516  -0.299
  224   2HB   SER  30          2HB       SER  30   7.720  -9.190  -1.251
  225    HG   SER  30           HG       SER  30   8.167  -9.201   0.981
  226    H    ALA  31           H        ALA  31   7.162  -8.140  -3.461
  227    HA   ALA  31           HA       ALA  31   5.104  -7.677  -5.183
  228   1HB   ALA  31          1HB       ALA  31   7.038 -10.067  -5.229
  229   2HB   ALA  31          2HB       ALA  31   6.146  -9.459  -6.624
  230   3HB   ALA  31          3HB       ALA  31   7.396  -8.443  -5.859
  231    H    GLU  32           H        GLU  32   5.603 -10.776  -3.481
  232    HA   GLU  32           HA       GLU  32   3.454 -12.110  -4.786
  233   1HB   GLU  32          1HB       GLU  32   5.436 -13.129  -3.666
  234   2HB   GLU  32          2HB       GLU  32   4.753 -12.722  -2.090
  235   1HG   GLU  32          1HG       GLU  32   3.145 -14.314  -4.136
  236   2HG   GLU  32          2HG       GLU  32   4.421 -15.068  -3.197
  237    H    ASP  33           H        ASP  33   3.721 -10.606  -1.537
  238    HA   ASP  33           HA       ASP  33   1.059 -10.945  -0.686
  239   1HB   ASP  33          1HB       ASP  33   2.822 -10.257   0.821
  240   2HB   ASP  33          2HB       ASP  33   3.100  -8.771  -0.093
  241    H    LEU  34           H        LEU  34   2.550  -8.272  -2.617
  242    HA   LEU  34           HA       LEU  34   0.217  -6.719  -2.946
  243   1HB   LEU  34          1HB       LEU  34   2.485  -5.975  -3.627
  244   2HB   LEU  34          2HB       LEU  34   2.470  -7.155  -4.930
  245    HG   LEU  34           HG       LEU  34   0.327  -5.955  -5.815
  246   1HD1  LEU  34          1HD1      LEU  34   0.170  -3.572  -5.162
  247   2HD1  LEU  34          2HD1      LEU  34   1.357  -3.850  -3.868
  248   3HD1  LEU  34          3HD1      LEU  34  -0.220  -4.672  -3.830
  249   1HD2  LEU  34          1HD2      LEU  34   1.677  -4.241  -6.960
  250   2HD2  LEU  34          2HD2      LEU  34   2.547  -5.781  -6.895
  251   3HD2  LEU  34          3HD2      LEU  34   2.994  -4.465  -5.790
  252    H    ARG  35           H        ARG  35   1.416  -9.480  -4.932
  253    HA   ARG  35           HA       ARG  35  -0.721  -9.338  -6.840
  254   1HB   ARG  35          1HB       ARG  35   1.480 -10.558  -7.100
  255   2HB   ARG  35          2HB       ARG  35   0.867 -11.822  -6.055
  256   1HG   ARG  35          1HG       ARG  35  -0.850 -11.051  -8.391
  257   2HG   ARG  35          2HG       ARG  35   0.644 -11.917  -8.744
  258   1HD   ARG  35          1HD       ARG  35   0.023 -13.839  -7.580
  259   2HD   ARG  35          2HD       ARG  35  -1.183 -13.007  -6.598
  260    HE   ARG  35           HE       ARG  35  -2.429 -12.632  -8.765
  261   1HH1  ARG  35          1HH1      ARG  35  -0.578 -15.601  -8.221
  262   2HH1  ARG  35          2HH1      ARG  35  -1.690 -16.626  -9.063
  263   1HH2  ARG  35          1HH2      ARG  35  -3.992 -13.971  -9.699
  264   2HH2  ARG  35          2HH2      ARG  35  -3.645 -15.641 -10.033
  265    H    THR  36           H        THR  36  -0.244 -11.442  -3.974
  266    HA   THR  36           HA       THR  36  -2.703 -12.807  -4.166
  267    HB   THR  36           HB       THR  36  -0.856 -12.221  -1.861
  268    HG1  THR  36           HG1      THR  36   0.231 -13.979  -2.681
  269   1HG2  THR  36          1HG2      THR  36  -3.012 -12.938  -0.898
  270   2HG2  THR  36          2HG2      THR  36  -1.830 -14.251  -0.780
  271   3HG2  THR  36          3HG2      THR  36  -3.086 -14.306  -2.038
  272    H    LEU  37           H        LEU  37  -1.955  -9.809  -2.182
  273    HA   LEU  37           HA       LEU  37  -4.680  -9.615  -1.353
  274   1HB   LEU  37          1HB       LEU  37  -4.191  -7.541  -0.388
  275   2HB   LEU  37          2HB       LEU  37  -2.777  -8.556  -0.181
  276    HG   LEU  37           HG       LEU  37  -1.910  -7.315  -2.343
  277   1HD1  LEU  37          1HD1      LEU  37  -4.062  -5.990  -2.763
  278   2HD1  LEU  37          2HD1      LEU  37  -2.596  -5.058  -2.654
  279   3HD1  LEU  37          3HD1      LEU  37  -3.719  -5.122  -1.266
  280   1HD2  LEU  37          1HD2      LEU  37  -2.043  -5.887   0.345
  281   2HD2  LEU  37          2HD2      LEU  37  -0.819  -5.646  -0.928
  282   3HD2  LEU  37          3HD2      LEU  37  -0.916  -7.184  -0.082
  283    H    GLN  38           H        GLN  38  -3.005  -8.464  -4.329
  284    HA   GLN  38           HA       GLN  38  -5.059  -6.767  -5.231
  285   1HB   GLN  38          1HB       GLN  38  -3.063  -6.642  -6.393
  286   2HB   GLN  38          2HB       GLN  38  -2.909  -8.363  -6.567
  287   1HG   GLN  38          1HG       GLN  38  -4.963  -8.236  -8.162
  288   2HG   GLN  38          2HG       GLN  38  -4.581  -6.508  -8.228
  289   1HE2  GLN  38          1HE2      GLN  38  -2.035  -6.123  -8.573
  290   2HE2  GLN  38          2HE2      GLN  38  -1.277  -7.242  -9.696
  291    H    GLN  39           H        GLN  39  -4.596 -10.364  -5.408
  292    HA   GLN  39           HA       GLN  39  -6.880 -10.908  -7.011
  293   1HB   GLN  39          1HB       GLN  39  -5.889 -12.827  -4.928
  294   2HB   GLN  39          2HB       GLN  39  -6.792 -13.132  -6.397
  295   1HG   GLN  39          1HG       GLN  39  -3.904 -12.488  -6.065
  296   2HG   GLN  39          2HG       GLN  39  -4.642 -13.871  -6.831
  297   1HE2  GLN  39          1HE2      GLN  39  -3.348 -10.769  -7.278
  298   2HE2  GLN  39          2HE2      GLN  39  -3.570 -10.534  -8.994
  299    H    LEU  40           H        LEU  40  -6.420 -10.683  -3.441
  300    HA   LEU  40           HA       LEU  40  -9.081 -11.398  -2.723
  301   1HB   LEU  40          1HB       LEU  40  -7.218  -9.474  -1.276
  302   2HB   LEU  40          2HB       LEU  40  -8.680 -10.181  -0.612
  303    HG   LEU  40           HG       LEU  40  -6.208 -11.745  -1.451
  304   1HD1  LEU  40          1HD1      LEU  40  -7.295 -11.105   1.318
  305   2HD1  LEU  40          2HD1      LEU  40  -5.873 -10.352   0.566
  306   3HD1  LEU  40          3HD1      LEU  40  -5.855 -12.079   0.940
  307   1HD2  LEU  40          1HD2      LEU  40  -8.172 -13.162  -1.732
  308   2HD2  LEU  40          2HD2      LEU  40  -8.786 -12.689  -0.129
  309   3HD2  LEU  40          3HD2      LEU  40  -7.300 -13.654  -0.284
  310    H    PHE  41           H        PHE  41  -7.731  -8.113  -3.369
  311    HA   PHE  41           HA       PHE  41 -10.302  -6.795  -3.027
  312   1HB   PHE  41          1HB       PHE  41  -7.677  -5.944  -4.267
  313   2HB   PHE  41          2HB       PHE  41  -9.114  -4.952  -4.388
  314    HD1  PHE  41           HD1      PHE  41  -6.333  -5.837  -2.225
  315    HD2  PHE  41           HD2      PHE  41 -10.279  -4.075  -2.261
  316    HE1  PHE  41           HE1      PHE  41  -5.853  -4.714  -0.095
  317    HE2  PHE  41           HE2      PHE  41  -9.768  -2.965  -0.107
  318    HZ   PHE  41           HZ       PHE  41  -7.560  -3.252   0.952
  319    H    LEU  42           H        LEU  42  -8.700  -8.254  -5.873
  320    HA   LEU  42           HA       LEU  42 -10.687  -7.438  -7.778
  321   1HB   LEU  42          1HB       LEU  42  -8.508  -9.480  -7.633
  322   2HB   LEU  42          2HB       LEU  42  -9.816  -9.869  -8.713
  323    HG   LEU  42           HG       LEU  42  -7.950  -8.769  -9.826
  324   1HD1  LEU  42          1HD1      LEU  42 -10.233  -8.657 -10.750
  325   2HD1  LEU  42          2HD1      LEU  42  -9.249  -7.259 -11.204
  326   3HD1  LEU  42          3HD1      LEU  42 -10.484  -7.096  -9.942
  327   1HD2  LEU  42          1HD2      LEU  42  -8.665  -6.257  -8.264
  328   2HD2  LEU  42          2HD2      LEU  42  -7.551  -6.349  -9.643
  329   3HD2  LEU  42          3HD2      LEU  42  -7.160  -7.188  -8.146
  330    H    SER  43           H        SER  43 -10.483 -10.220  -5.566
  331    HA   SER  43           HA       SER  43 -12.706 -11.626  -6.652
  332   1HB   SER  43          1HB       SER  43 -10.789 -12.568  -5.329
  333   2HB   SER  43          2HB       SER  43 -11.472 -11.849  -3.869
  334    HG   SER  43           HG       SER  43 -12.094 -14.046  -4.198
  335    H    THR  44           H        THR  44 -12.408  -9.766  -3.592
  336    HA   THR  44           HA       THR  44 -15.174  -8.960  -3.615
  337    HB   THR  44           HB       THR  44 -14.332 -11.264  -1.806
  338    HG1  THR  44           HG1      THR  44 -15.426 -11.263  -4.133
  339   1HG2  THR  44          1HG2      THR  44 -15.722  -9.863  -0.371
  340   2HG2  THR  44          2HG2      THR  44 -16.653 -11.270  -0.893
  341   3HG2  THR  44          3HG2      THR  44 -16.937  -9.692  -1.661
  342    H    LEU  45           H        LEU  45 -11.991  -8.905  -2.048
  343    HA   LEU  45           HA       LEU  45 -12.859  -7.690   0.375
  344   1HB   LEU  45          1HB       LEU  45 -10.686  -8.844   0.060
  345   2HB   LEU  45          2HB       LEU  45 -10.173  -7.569  -1.039
  346    HG   LEU  45           HG       LEU  45 -10.235  -5.913   0.793
  347   1HD1  LEU  45          1HD1      LEU  45 -11.925  -6.909   2.292
  348   2HD1  LEU  45          2HD1      LEU  45 -10.398  -6.724   3.146
  349   3HD1  LEU  45          3HD1      LEU  45 -10.884  -8.325   2.555
  350   1HD2  LEU  45          1HD2      LEU  45  -8.227  -6.749   1.930
  351   2HD2  LEU  45          2HD2      LEU  45  -8.169  -7.154   0.213
  352   3HD2  LEU  45          3HD2      LEU  45  -8.585  -8.407   1.403
  353    H    SER  46           H        SER  46 -12.997  -5.509   1.009
  354    HA   SER  46           HA       SER  46 -11.919  -3.397  -0.533
  355   1HB   SER  46          1HB       SER  46 -14.945  -3.668  -0.360
  356   2HB   SER  46          2HB       SER  46 -14.113  -2.127  -0.669
  357    HG   SER  46           HG       SER  46 -13.361  -4.366  -2.198
  358    H    PHE  47           H        PHE  47 -12.499  -1.254   0.880
  359    HA   PHE  47           HA       PHE  47 -12.048  -2.128   3.685
  360   1HB   PHE  47          1HB       PHE  47 -10.437  -0.393   1.789
  361   2HB   PHE  47          2HB       PHE  47 -10.404  -0.065   3.498
  362    HD1  PHE  47           HD1      PHE  47  -7.934  -0.270   2.946
  363    HD2  PHE  47           HD2      PHE  47 -10.551  -3.708   3.021
  364    HE1  PHE  47           HE1      PHE  47  -6.031  -1.727   3.556
  365    HE2  PHE  47           HE2      PHE  47  -8.661  -5.124   3.628
  366    HZ   PHE  47           HZ       PHE  47  -6.391  -4.161   3.915
  367    H    VAL  48           H        VAL  48 -11.903   0.347   4.873
  368    HA   VAL  48           HA       VAL  48 -14.033   2.019   3.918
  369    HB   VAL  48           HB       VAL  48 -15.359   0.497   5.167
  370   1HG1  VAL  48          1HG1      VAL  48 -13.704  -0.635   6.569
  371   2HG1  VAL  48          2HG1      VAL  48 -13.500   0.839   7.547
  372   3HG1  VAL  48          3HG1      VAL  48 -15.047  -0.029   7.539
  373   1HG2  VAL  48          1HG2      VAL  48 -16.326   1.937   6.887
  374   2HG2  VAL  48          2HG2      VAL  48 -14.877   2.956   6.877
  375   3HG2  VAL  48          3HG2      VAL  48 -15.915   2.867   5.440
  376    H    CYS  49           H        CYS  49 -13.384   4.120   4.239
  377    HA   CYS  49           HA       CYS  49 -10.731   4.549   5.338
  378   1HB   CYS  49          1HB       CYS  49 -11.265   6.959   4.844
  379   2HB   CYS  49          2HB       CYS  49 -11.343   5.875   3.468
  380    HA   PRO  50           HA       PRO  50 -11.773   4.901   9.466
  381   1HB   PRO  50          1HB       PRO  50 -10.222   6.960  10.522
  382   2HB   PRO  50          2HB       PRO  50  -9.630   5.330  10.078
  383   1HG   PRO  50          1HG       PRO  50  -9.546   7.865   8.422
  384   2HG   PRO  50          2HG       PRO  50  -8.230   6.679   8.706
  385   1HD   PRO  50          1HD       PRO  50  -9.690   6.599   6.439
  386   2HD   PRO  50          2HD       PRO  50  -9.260   5.075   7.274
  387    H    TRP  51           H        TRP  51 -12.116   8.022   7.794
  388    HA   TRP  51           HA       TRP  51 -13.849   9.287   9.686
  389   1HB   TRP  51          1HB       TRP  51 -12.721  10.439   7.812
  390   2HB   TRP  51          2HB       TRP  51 -13.765   9.583   6.668
  391    HD1  TRP  51           HD1      TRP  51 -15.904  10.851   6.061
  392    HE1  TRP  51           HE1      TRP  51 -17.415  12.582   7.154
  393    HE3  TRP  51           HE3      TRP  51 -13.385  11.477  10.480
  394    HZ2  TRP  51           HZ2      TRP  51 -17.554  14.066   9.645
  395    HZ3  TRP  51           HZ3      TRP  51 -14.261  13.015  12.214
  396    HH2  TRP  51           HH2      TRP  51 -16.346  14.306  11.809
  397    H    CYS  52           H        CYS  52 -14.529   7.151   6.871
  398    HA   CYS  52           HA       CYS  52 -17.389   7.106   7.348
  399   1HB   CYS  52          1HB       CYS  52 -15.507   5.417   5.675
  400   2HB   CYS  52          2HB       CYS  52 -17.230   5.109   5.808
  401    H    ALA  53           H        ALA  53 -14.626   5.034   8.383
  402    HA   ALA  53           HA       ALA  53 -16.270   3.050   9.619
  403   1HB   ALA  53          1HB       ALA  53 -13.519   3.964  10.545
  404   2HB   ALA  53          2HB       ALA  53 -14.295   2.404  10.864
  405   3HB   ALA  53          3HB       ALA  53 -13.806   2.819   9.208
  406    H    THR  54           H        THR  54 -15.206   6.238  10.739
  407    HA   THR  54           HA       THR  54 -16.160   5.930  13.446
  408    HB   THR  54           HB       THR  54 -15.495   8.453  11.864
  409    HG1  THR  54           HG1      THR  54 -13.711   7.118  11.879
  410   1HG2  THR  54          1HG2      THR  54 -15.547   7.945  14.870
  411   2HG2  THR  54          2HG2      THR  54 -16.689   8.967  13.966
  412   3HG2  THR  54          3HG2      THR  54 -14.980   9.427  14.071
  413    H    ASN  55           H        ASN  55 -17.471   7.615  10.537
  414    HA   ASN  55           HA       ASN  55 -19.879   8.456  12.003
  415   1HB   ASN  55          1HB       ASN  55 -19.005   8.821   9.104
  416   2HB   ASN  55          2HB       ASN  55 -20.495   9.472   9.791
  417   1HD2  ASN  55          1HD2      ASN  55 -16.914   9.580  10.085
  418   2HD2  ASN  55          2HD2      ASN  55 -16.910  11.133  10.915
  419    H    GLN  56           H        GLN  56 -18.968   5.784  10.136
  420    HA   GLN  56           HA       GLN  56 -19.769   4.049   9.206
  421   1HB   GLN  56          1HB       GLN  56 -21.779   4.542  11.343
  422   2HB   GLN  56          2HB       GLN  56 -21.754   3.046  10.367
  423   1HG   GLN  56          1HG       GLN  56 -19.377   4.020  12.000
  424   2HG   GLN  56          2HG       GLN  56 -20.618   2.957  12.637
  425   1HE2  GLN  56          1HE2      GLN  56 -19.039   1.297  13.035
  426   2HE2  GLN  56          2HE2      GLN  56 -18.436   0.322  11.704
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  14.413  13.539  -6.257
    2   1HA   GLY   1          1HA       GLY   1  12.797  12.379  -7.598
    3   2HA   GLY   1          2HA       GLY   1  13.664  12.966  -9.038
    4    H    SER   2           H        SER   2  13.675  10.411  -9.239
    5    HA   SER   2           HA       SER   2  14.821   8.514  -9.342
    6   1HB   SER   2          1HB       SER   2  16.512  10.059 -10.297
    7   2HB   SER   2          2HB       SER   2  17.268  10.189  -8.693
    8    HG   SER   2           HG       SER   2  17.340   7.834  -8.770
    9    H    HIS   3           H        HIS   3  13.979   9.535  -6.496
   10    HA   HIS   3           HA       HIS   3  15.105   7.213  -5.067
   11   1HB   HIS   3          1HB       HIS   3  16.378   9.224  -4.345
   12   2HB   HIS   3          2HB       HIS   3  14.870  10.027  -3.912
   13    HD1  HIS   3           HD1      HIS   3  17.213   7.244  -2.698
   14    HD2  HIS   3           HD2      HIS   3  13.641   9.210  -1.641
   15    HE1  HIS   3           HE1      HIS   3  16.692   6.580  -0.283
   16    H    MET   4           H        MET   4  13.135   6.310  -5.889
   17    HA   MET   4           HA       MET   4  10.675   6.649  -4.545
   18   1HB   MET   4          1HB       MET   4   9.395   7.648  -6.377
   19   2HB   MET   4          2HB       MET   4  10.677   8.771  -5.935
   20   1HG   MET   4          1HG       MET   4  12.046   7.554  -7.822
   21   2HG   MET   4          2HG       MET   4  10.481   6.965  -8.355
   22   1HE   MET   4          1HE       MET   4   8.624  10.232  -9.432
   23   2HE   MET   4          2HE       MET   4   8.587   8.456  -9.360
   24   3HE   MET   4          3HE       MET   4   8.504   9.413  -7.860
   25    H    ALA   5           H        ALA   5   9.047   5.262  -5.911
   26    HA   ALA   5           HA       ALA   5   8.408   3.492  -7.125
   27   1HB   ALA   5          1HB       ALA   5   9.449   4.816  -9.002
   28   2HB   ALA   5          2HB       ALA   5  10.947   3.880  -8.758
   29   3HB   ALA   5          3HB       ALA   5   9.474   3.046  -9.266
   30    H    GLU   6           H        GLU   6  10.143   3.175  -4.849
   31    HA   GLU   6           HA       GLU   6  12.036   1.082  -5.419
   32   1HB   GLU   6          1HB       GLU   6  11.012   1.932  -2.674
   33   2HB   GLU   6          2HB       GLU   6  12.569   1.219  -3.064
   34   1HG   GLU   6          1HG       GLU   6  13.352   3.337  -3.132
   35   2HG   GLU   6          2HG       GLU   6  12.662   3.430  -4.695
   36    HA   PRO   7           HA       PRO   7   9.542  -2.581  -4.313
   37   1HB   PRO   7          1HB       PRO   7  11.342  -4.136  -2.956
   38   2HB   PRO   7          2HB       PRO   7  11.389  -3.919  -4.733
   39   1HG   PRO   7          1HG       PRO   7  12.993  -2.424  -2.633
   40   2HG   PRO   7          2HG       PRO   7  13.598  -3.224  -4.121
   41   1HD   PRO   7          1HD       PRO   7  13.111  -0.571  -4.059
   42   2HD   PRO   7          2HD       PRO   7  12.693  -1.523  -5.505
   43    H    GLN   8           H        GLN   8   8.863  -3.715  -2.334
   44    HA   GLN   8           HA       GLN   8   7.805  -3.730  -0.463
   45   1HB   GLN   8          1HB       GLN   8  10.347  -2.969   0.354
   46   2HB   GLN   8          2HB       GLN   8   9.265  -1.838   1.167
   47   1HG   GLN   8          1HG       GLN   8   9.514  -3.658   2.648
   48   2HG   GLN   8          2HG       GLN   8   7.924  -3.901   1.939
   49   1HE2  GLN   8          1HE2      GLN   8   7.902  -5.510  -0.061
   50   2HE2  GLN   8          2HE2      GLN   8   8.852  -6.948   0.225
   51    H    ARG   9           H        ARG   9   8.720  -0.281  -0.494
   52    HA   ARG   9           HA       ARG   9   6.251   0.787   0.245
   53   1HB   ARG   9          1HB       ARG   9   8.519   1.899   0.212
   54   2HB   ARG   9          2HB       ARG   9   8.372   2.068  -1.524
   55   1HG   ARG   9          1HG       ARG   9   5.969   3.086  -0.342
   56   2HG   ARG   9          2HG       ARG   9   7.324   3.717   0.580
   57   1HD   ARG   9          1HD       ARG   9   7.150   3.843  -2.456
   58   2HD   ARG   9          2HD       ARG   9   6.512   5.116  -1.413
   59    HE   ARG   9           HE       ARG   9   9.239   4.687  -2.205
   60   1HH1  ARG   9          1HH1      ARG   9   7.347   5.919   0.523
   61   2HH1  ARG   9          2HH1      ARG   9   8.596   6.969   1.115
   62   1HH2  ARG   9          1HH2      ARG   9  10.930   5.979  -1.397
   63   2HH2  ARG   9          2HH2      ARG   9  10.694   7.019  -0.029
   64    H    HIS  10           H        HIS  10   4.462  -0.029  -0.740
   65    HA   HIS  10           HA       HIS  10   4.124   0.577  -3.664
   66   1HB   HIS  10          1HB       HIS  10   3.107  -1.876  -2.192
   67   2HB   HIS  10          2HB       HIS  10   2.833  -1.469  -3.884
   68    HD1  HIS  10           HD1      HIS  10   4.341  -4.173  -2.732
   69    HD2  HIS  10           HD2      HIS  10   6.143  -0.742  -4.361
   70    HE1  HIS  10           HE1      HIS  10   6.534  -4.915  -3.721
   71    H    LYS  11           H        LYS  11   1.767   0.775  -4.311
   72    HA   LYS  11           HA       LYS  11   0.201   2.008  -2.099
   73   1HB   LYS  11          1HB       LYS  11   0.808   3.293  -4.777
   74   2HB   LYS  11          2HB       LYS  11  -0.218   3.940  -3.488
   75   1HG   LYS  11          1HG       LYS  11   1.855   3.763  -1.956
   76   2HG   LYS  11          2HG       LYS  11   2.805   3.517  -3.425
   77   1HD   LYS  11          1HD       LYS  11   1.047   5.913  -2.789
   78   2HD   LYS  11          2HD       LYS  11   2.806   5.862  -2.635
   79   1HE   LYS  11          1HE       LYS  11   3.142   5.679  -4.999
   80   2HE   LYS  11          2HE       LYS  11   1.436   5.278  -5.279
   81   1HZ   LYS  11          1HZ       LYS  11   0.790   7.414  -4.608
   82   2HZ   LYS  11          2HZ       LYS  11   1.861   7.559  -5.851
   83   3HZ   LYS  11          3HZ       LYS  11   2.339   7.899  -4.296
   84    H    ILE  12           H        ILE  12  -1.449   0.619  -1.965
   85    HA   ILE  12           HA       ILE  12  -2.678  -0.509  -4.403
   86    HB   ILE  12           HB       ILE  12  -3.512  -0.925  -1.538
   87   1HG1  ILE  12          1HG1      ILE  12  -1.146  -1.517  -1.797
   88   2HG1  ILE  12          2HG1      ILE  12  -2.228  -2.804  -1.301
   89   1HG2  ILE  12          1HG2      ILE  12  -4.526  -3.015  -2.383
   90   2HG2  ILE  12          2HG2      ILE  12  -5.251  -1.565  -3.077
   91   3HG2  ILE  12          3HG2      ILE  12  -4.112  -2.522  -4.041
   92   1HD1  ILE  12          1HD1      ILE  12  -0.562  -3.592  -2.879
   93   2HD1  ILE  12          2HD1      ILE  12  -2.183  -3.751  -3.576
   94   3HD1  ILE  12          3HD1      ILE  12  -1.122  -2.411  -4.097
   95    H    LEU  13           H        LEU  13  -3.695   1.066  -5.303
   96    HA   LEU  13           HA       LEU  13  -5.419   3.006  -4.069
   97   1HB   LEU  13          1HB       LEU  13  -4.341   3.047  -6.469
   98   2HB   LEU  13          2HB       LEU  13  -5.804   2.226  -6.967
   99    HG   LEU  13           HG       LEU  13  -6.105   4.609  -7.328
  100   1HD1  LEU  13          1HD1      LEU  13  -8.056   3.364  -6.413
  101   2HD1  LEU  13          2HD1      LEU  13  -8.054   5.121  -6.244
  102   3HD1  LEU  13          3HD1      LEU  13  -7.675   4.086  -4.833
  103   1HD2  LEU  13          1HD2      LEU  13  -5.590   5.259  -4.442
  104   2HD2  LEU  13          2HD2      LEU  13  -5.671   6.311  -5.896
  105   3HD2  LEU  13          3HD2      LEU  13  -4.287   5.248  -5.654
  106    H    CYS  14           H        CYS  14  -6.727   1.903  -2.623
  107    HA   CYS  14           HA       CYS  14  -8.732  -0.063  -3.600
  108   1HB   CYS  14          1HB       CYS  14  -7.416  -0.384  -1.477
  109   2HB   CYS  14          2HB       CYS  14  -8.183   1.060  -0.806
  110    HG   CYS  14           HG       CYS  14 -10.612   0.157  -0.696
  111    H    VAL  15           H        VAL  15 -11.036   0.392  -2.546
  112    HA   VAL  15           HA       VAL  15 -11.632   3.269  -2.326
  113    HB   VAL  15           HB       VAL  15 -13.894   2.859  -3.234
  114   1HG1  VAL  15          1HG1      VAL  15 -12.169   3.889  -4.645
  115   2HG1  VAL  15          2HG1      VAL  15 -11.650   2.285  -5.217
  116   3HG1  VAL  15          3HG1      VAL  15 -13.274   2.897  -5.597
  117   1HG2  VAL  15          1HG2      VAL  15 -14.001   0.383  -2.947
  118   2HG2  VAL  15          2HG2      VAL  15 -14.385   0.899  -4.592
  119   3HG2  VAL  15          3HG2      VAL  15 -12.797   0.192  -4.244
  120    H    CYS  16           H        CYS  16 -13.269   3.776  -0.927
  121    HA   CYS  16           HA       CYS  16 -13.629   2.167   1.451
  122   1HB   CYS  16          1HB       CYS  16 -13.597   4.688   1.433
  123   2HB   CYS  16          2HB       CYS  16 -15.098   4.650   0.492
  124    H    CYS  17           H        CYS  17 -14.856   0.501   1.423
  125    HA   CYS  17           HA       CYS  17 -16.605  -0.411  -0.482
  126   1HB   CYS  17          1HB       CYS  17 -15.462  -1.623   1.464
  127   2HB   CYS  17          2HB       CYS  17 -16.847  -1.142   2.464
  128    HG   CYS  17           HG       CYS  17 -17.046  -3.656   1.729
  129    H    LYS  18           H        LYS  18 -17.525   1.942   2.008
  130    HA   LYS  18           HA       LYS  18 -20.400   1.451   1.405
  131   1HB   LYS  18          1HB       LYS  18 -20.259   3.657   3.152
  132   2HB   LYS  18          2HB       LYS  18 -20.853   2.038   3.450
  133   1HG   LYS  18          1HG       LYS  18 -18.640   1.348   4.265
  134   2HG   LYS  18          2HG       LYS  18 -17.992   2.970   3.930
  135   1HD   LYS  18          1HD       LYS  18 -19.250   3.982   5.647
  136   2HD   LYS  18          2HD       LYS  18 -20.471   2.710   5.656
  137   1HE   LYS  18          1HE       LYS  18 -19.043   1.137   6.714
  138   2HE   LYS  18          2HE       LYS  18 -17.626   2.179   6.555
  139   1HZ   LYS  18          1HZ       LYS  18 -19.973   3.110   8.114
  140   2HZ   LYS  18          2HZ       LYS  18 -18.454   3.620   8.210
  141   3HZ   LYS  18          3HZ       LYS  18 -18.831   2.127   8.787
  142    H    CYS  19           H        CYS  19 -17.907   4.028   1.020
  143    HA   CYS  19           HA       CYS  19 -20.015   5.703  -0.218
  144   1HB   CYS  19          1HB       CYS  19 -18.794   7.554   0.499
  145   2HB   CYS  19          2HB       CYS  19 -18.965   6.477   1.879
  146    H    ASP  20           H        ASP  20 -17.473   3.728  -1.189
  147    HA   ASP  20           HA       ASP  20 -16.154   3.534  -2.934
  148   1HB   ASP  20          1HB       ASP  20 -18.388   3.259  -3.914
  149   2HB   ASP  20          2HB       ASP  20 -18.392   4.963  -4.357
  150    H    GLY  21           H        GLY  21 -15.373   5.571  -1.317
  151   1HA   GLY  21          1HA       GLY  21 -14.236   7.607  -3.208
  152   2HA   GLY  21          2HA       GLY  21 -14.246   7.818  -1.457
  153    H    ARG  22           H        ARG  22 -11.996   7.752  -3.266
  154    HA   ARG  22           HA       ARG  22 -10.973   5.046  -3.070
  155   1HB   ARG  22          1HB       ARG  22  -9.401   5.514  -4.586
  156   2HB   ARG  22          2HB       ARG  22 -10.822   6.357  -5.127
  157   1HG   ARG  22          1HG       ARG  22  -9.010   7.709  -5.682
  158   2HG   ARG  22          2HG       ARG  22  -9.783   8.493  -4.288
  159   1HD   ARG  22          1HD       ARG  22  -7.853   7.321  -2.926
  160   2HD   ARG  22          2HD       ARG  22  -7.157   7.043  -4.505
  161    HE   ARG  22           HE       ARG  22  -7.964   9.775  -3.642
  162   1HH1  ARG  22          1HH1      ARG  22  -5.342   7.617  -4.601
  163   2HH1  ARG  22          2HH1      ARG  22  -4.055   8.667  -4.150
  164   1HH2  ARG  22          1HH2      ARG  22  -6.260  11.362  -3.327
  165   2HH2  ARG  22          2HH2      ARG  22  -4.623  10.898  -3.672
  166    H    ILE  23           H        ILE  23  -9.107   4.320  -2.153
  167    HA   ILE  23           HA       ILE  23  -7.909   6.035  -0.056
  168    HB   ILE  23           HB       ILE  23  -8.437   3.085   0.319
  169   1HG1  ILE  23          1HG1      ILE  23 -10.326   5.229   1.348
  170   2HG1  ILE  23          2HG1      ILE  23 -10.679   4.119   0.021
  171   1HG2  ILE  23          1HG2      ILE  23  -7.949   3.593   2.661
  172   2HG2  ILE  23          2HG2      ILE  23  -6.720   4.417   1.704
  173   3HG2  ILE  23          3HG2      ILE  23  -8.077   5.340   2.361
  174   1HD1  ILE  23          1HD1      ILE  23 -11.697   3.258   2.014
  175   2HD1  ILE  23          2HD1      ILE  23 -10.394   2.170   1.512
  176   3HD1  ILE  23          3HD1      ILE  23 -10.166   3.274   2.890
  177    H    GLU  24           H        GLU  24  -5.810   6.271  -0.731
  178    HA   GLU  24           HA       GLU  24  -4.494   4.282  -2.437
  179   1HB   GLU  24          1HB       GLU  24  -4.397   6.683  -2.823
  180   2HB   GLU  24          2HB       GLU  24  -3.578   6.958  -1.287
  181   1HG   GLU  24          1HG       GLU  24  -1.626   5.705  -2.072
  182   2HG   GLU  24          2HG       GLU  24  -2.486   5.206  -3.531
  183    H    LEU  25           H        LEU  25  -4.192   2.418  -1.164
  184    HA   LEU  25           HA       LEU  25  -3.325   2.712   1.592
  185   1HB   LEU  25          1HB       LEU  25  -3.209   0.100   0.137
  186   2HB   LEU  25          2HB       LEU  25  -3.327   0.385   1.830
  187    HG   LEU  25           HG       LEU  25  -5.558   0.848  -0.195
  188   1HD1  LEU  25          1HD1      LEU  25  -5.187  -1.328   1.901
  189   2HD1  LEU  25          2HD1      LEU  25  -5.101  -1.534   0.142
  190   3HD1  LEU  25          3HD1      LEU  25  -6.633  -1.088   0.900
  191   1HD2  LEU  25          1HD2      LEU  25  -5.690   2.399   1.707
  192   2HD2  LEU  25          2HD2      LEU  25  -5.611   1.031   2.838
  193   3HD2  LEU  25          3HD2      LEU  25  -7.002   1.212   1.730
  194    H    THR  26           H        THR  26  -1.410   3.893   1.361
  195    HA   THR  26           HA       THR  26   0.903   2.852  -0.081
  196    HB   THR  26           HB       THR  26   0.733   4.955   2.110
  197    HG1  THR  26           HG1      THR  26  -0.416   5.402   0.160
  198   1HG2  THR  26          1HG2      THR  26   3.028   4.069   1.893
  199   2HG2  THR  26          2HG2      THR  26   2.930   5.691   1.192
  200   3HG2  THR  26          3HG2      THR  26   2.961   4.263   0.130
  201    H    VAL  27           H        VAL  27   1.283   0.794   0.472
  202    HA   VAL  27           HA       VAL  27   1.775   0.098   3.331
  203    HB   VAL  27           HB       VAL  27   1.514  -2.242   2.590
  204   1HG1  VAL  27          1HG1      VAL  27  -0.894  -0.555   1.799
  205   2HG1  VAL  27          2HG1      VAL  27  -0.899  -2.250   2.320
  206   3HG1  VAL  27          3HG1      VAL  27  -0.435  -0.976   3.462
  207   1HG2  VAL  27          1HG2      VAL  27   0.665  -1.131  -0.126
  208   2HG2  VAL  27          2HG2      VAL  27   2.165  -2.025   0.200
  209   3HG2  VAL  27          3HG2      VAL  27   0.599  -2.825   0.394
  210    H    GLU  28           H        GLU  28   3.601  -1.622   3.513
  211    HA   GLU  28           HA       GLU  28   5.549  -1.412   1.336
  212   1HB   GLU  28          1HB       GLU  28   6.230  -1.431   4.251
  213   2HB   GLU  28          2HB       GLU  28   7.382  -1.790   2.976
  214   1HG   GLU  28          1HG       GLU  28   7.124   0.464   2.077
  215   2HG   GLU  28          2HG       GLU  28   5.884   0.852   3.275
  216    H    SER  29           H        SER  29   5.271  -3.411   0.334
  217    HA   SER  29           HA       SER  29   5.563  -5.797   1.962
  218   1HB   SER  29          1HB       SER  29   3.028  -5.297   2.003
  219   2HB   SER  29          2HB       SER  29   3.045  -5.674   0.264
  220    HG   SER  29           HG       SER  29   2.595  -7.585   1.393
  221    H    SER  30           H        SER  30   5.521  -7.807   0.326
  222    HA   SER  30           HA       SER  30   7.297  -6.939  -1.879
  223   1HB   SER  30          1HB       SER  30   6.547  -9.732  -0.926
  224   2HB   SER  30          2HB       SER  30   7.803  -9.305  -2.109
  225    HG   SER  30           HG       SER  30   8.631  -9.613  -0.032
  226    H    ALA  31           H        ALA  31   6.992  -8.403  -4.010
  227    HA   ALA  31           HA       ALA  31   4.639  -7.196  -5.204
  228   1HB   ALA  31          1HB       ALA  31   6.726  -9.110  -6.337
  229   2HB   ALA  31          2HB       ALA  31   5.521  -8.196  -7.271
  230   3HB   ALA  31          3HB       ALA  31   6.796  -7.331  -6.393
  231    H    GLU  32           H        GLU  32   5.655 -10.385  -4.199
  232    HA   GLU  32           HA       GLU  32   3.645 -12.006  -5.318
  233   1HB   GLU  32          1HB       GLU  32   4.810 -12.544  -2.553
  234   2HB   GLU  32          2HB       GLU  32   4.338 -13.680  -3.805
  235   1HG   GLU  32          1HG       GLU  32   6.667 -13.798  -3.822
  236   2HG   GLU  32          2HG       GLU  32   6.329 -12.725  -5.177
  237    H    ASP  33           H        ASP  33   3.786 -10.531  -2.077
  238    HA   ASP  33           HA       ASP  33   1.156 -11.282  -1.239
  239   1HB   ASP  33          1HB       ASP  33   2.834 -10.770   0.405
  240   2HB   ASP  33          2HB       ASP  33   3.122  -9.175  -0.303
  241    H    LEU  34           H        LEU  34   2.546  -8.229  -2.582
  242    HA   LEU  34           HA       LEU  34   0.161  -6.740  -2.719
  243   1HB   LEU  34          1HB       LEU  34   2.273  -5.740  -3.192
  244   2HB   LEU  34          2HB       LEU  34   2.556  -6.775  -4.583
  245    HG   LEU  34           HG       LEU  34   0.051  -5.110  -4.679
  246   1HD1  LEU  34          1HD1      LEU  34   1.247  -3.101  -5.389
  247   2HD1  LEU  34          2HD1      LEU  34   2.810  -3.889  -5.085
  248   3HD1  LEU  34          3HD1      LEU  34   1.701  -3.539  -3.737
  249   1HD2  LEU  34          1HD2      LEU  34   0.760  -4.797  -7.048
  250   2HD2  LEU  34          2HD2      LEU  34   0.645  -6.505  -6.640
  251   3HD2  LEU  34          3HD2      LEU  34   2.236  -5.730  -6.729
  252    H    ARG  35           H        ARG  35   1.407  -9.112  -5.162
  253    HA   ARG  35           HA       ARG  35  -0.803  -8.697  -6.930
  254   1HB   ARG  35          1HB       ARG  35   1.404  -9.846  -7.471
  255   2HB   ARG  35          2HB       ARG  35   0.801 -11.283  -6.644
  256   1HG   ARG  35          1HG       ARG  35  -1.114 -11.416  -8.188
  257   2HG   ARG  35          2HG       ARG  35  -0.639  -9.885  -8.950
  258   1HD   ARG  35          1HD       ARG  35   1.482 -10.934  -9.697
  259   2HD   ARG  35          2HD       ARG  35   0.955 -12.480  -8.987
  260    HE   ARG  35           HE       ARG  35  -1.123 -11.654 -10.633
  261   1HH1  ARG  35          1HH1      ARG  35   2.269 -12.492 -11.116
  262   2HH1  ARG  35          2HH1      ARG  35   2.090 -12.994 -12.763
  263   1HH2  ARG  35          1HH2      ARG  35  -1.409 -12.317 -12.819
  264   2HH2  ARG  35          2HH2      ARG  35  -0.074 -12.894 -13.746
  265    H    THR  36           H        THR  36  -0.172 -11.124  -4.403
  266    HA   THR  36           HA       THR  36  -2.560 -12.579  -4.787
  267    HB   THR  36           HB       THR  36  -1.052 -12.176  -2.157
  268    HG1  THR  36           HG1      THR  36   0.429 -12.831  -3.667
  269   1HG2  THR  36          1HG2      THR  36  -3.179 -13.404  -1.858
  270   2HG2  THR  36          2HG2      THR  36  -1.792 -14.487  -1.656
  271   3HG2  THR  36          3HG2      THR  36  -2.726 -14.522  -3.167
  272    H    LEU  37           H        LEU  37  -1.946  -9.853  -2.469
  273    HA   LEU  37           HA       LEU  37  -4.663  -9.860  -1.570
  274   1HB   LEU  37          1HB       LEU  37  -4.154  -8.084  -0.210
  275   2HB   LEU  37          2HB       LEU  37  -2.645  -8.958  -0.346
  276    HG   LEU  37           HG       LEU  37  -2.168  -7.153  -2.275
  277   1HD1  LEU  37          1HD1      LEU  37  -4.400  -6.010  -2.107
  278   2HD1  LEU  37          2HD1      LEU  37  -3.069  -4.943  -1.677
  279   3HD1  LEU  37          3HD1      LEU  37  -4.070  -5.659  -0.403
  280   1HD2  LEU  37          1HD2      LEU  37  -1.034  -5.752  -0.594
  281   2HD2  LEU  37          2HD2      LEU  37  -0.803  -7.471  -0.258
  282   3HD2  LEU  37          3HD2      LEU  37  -1.964  -6.542   0.702
  283    H    GLN  38           H        GLN  38  -3.066  -8.271  -4.386
  284    HA   GLN  38           HA       GLN  38  -5.219  -6.512  -5.005
  285   1HB   GLN  38          1HB       GLN  38  -3.111  -6.215  -6.061
  286   2HB   GLN  38          2HB       GLN  38  -3.050  -7.878  -6.594
  287   1HG   GLN  38          1HG       GLN  38  -5.102  -7.298  -8.086
  288   2HG   GLN  38          2HG       GLN  38  -4.617  -5.619  -7.800
  289   1HE2  GLN  38          1HE2      GLN  38  -2.129  -5.219  -8.196
  290   2HE2  GLN  38          2HE2      GLN  38  -1.405  -6.157  -9.491
  291    H    GLN  39           H        GLN  39  -4.637 -10.045  -5.681
  292    HA   GLN  39           HA       GLN  39  -6.968 -10.335  -7.302
  293   1HB   GLN  39          1HB       GLN  39  -5.872 -12.546  -5.588
  294   2HB   GLN  39          2HB       GLN  39  -6.822 -12.641  -7.062
  295   1HG   GLN  39          1HG       GLN  39  -3.930 -12.005  -6.711
  296   2HG   GLN  39          2HG       GLN  39  -4.680 -13.204  -7.743
  297   1HE2  GLN  39          1HE2      GLN  39  -3.271 -10.173  -7.619
  298   2HE2  GLN  39          2HE2      GLN  39  -3.686  -9.525  -9.193
  299    H    LEU  40           H        LEU  40  -6.401 -10.734  -3.768
  300    HA   LEU  40           HA       LEU  40  -9.056 -11.561  -3.121
  301   1HB   LEU  40          1HB       LEU  40  -7.051 -10.015  -1.433
  302   2HB   LEU  40          2HB       LEU  40  -8.541 -10.713  -0.815
  303    HG   LEU  40           HG       LEU  40  -6.269 -12.318  -2.067
  304   1HD1  LEU  40          1HD1      LEU  40  -5.822 -13.057   0.234
  305   2HD1  LEU  40          2HD1      LEU  40  -7.109 -11.993   0.844
  306   3HD1  LEU  40          3HD1      LEU  40  -5.652 -11.303   0.096
  307   1HD2  LEU  40          1HD2      LEU  40  -8.381 -13.507  -2.382
  308   2HD2  LEU  40          2HD2      LEU  40  -8.840 -13.216  -0.686
  309   3HD2  LEU  40          3HD2      LEU  40  -7.474 -14.280  -1.085
  310    H    PHE  41           H        PHE  41  -7.698  -8.248  -3.360
  311    HA   PHE  41           HA       PHE  41 -10.194  -7.018  -2.514
  312   1HB   PHE  41          1HB       PHE  41  -7.598  -5.968  -3.639
  313   2HB   PHE  41          2HB       PHE  41  -9.014  -4.945  -3.562
  314    HD1  PHE  41           HD1      PHE  41  -7.081  -7.223  -1.192
  315    HD2  PHE  41           HD2      PHE  41  -9.289  -3.549  -1.702
  316    HE1  PHE  41           HE1      PHE  41  -6.359  -6.489   1.027
  317    HE2  PHE  41           HE2      PHE  41  -8.596  -2.858   0.575
  318    HZ   PHE  41           HZ       PHE  41  -7.086  -4.287   1.909
  319    H    LEU  42           H        LEU  42  -8.779  -7.922  -5.684
  320    HA   LEU  42           HA       LEU  42 -10.893  -6.670  -7.226
  321   1HB   LEU  42          1HB       LEU  42  -8.919  -8.922  -7.736
  322   2HB   LEU  42          2HB       LEU  42 -10.142  -8.498  -8.923
  323    HG   LEU  42           HG       LEU  42  -8.092  -6.497  -7.876
  324   1HD1  LEU  42          1HD1      LEU  42  -7.001  -8.390  -9.065
  325   2HD1  LEU  42          2HD1      LEU  42  -6.892  -6.883  -9.990
  326   3HD1  LEU  42          3HD1      LEU  42  -8.070  -8.131 -10.456
  327   1HD2  LEU  42          1HD2      LEU  42 -10.082  -5.407  -8.818
  328   2HD2  LEU  42          2HD2      LEU  42  -9.976  -6.419 -10.275
  329   3HD2  LEU  42          3HD2      LEU  42  -8.712  -5.222  -9.914
  330    H    SER  43           H        SER  43 -10.504  -9.841  -5.663
  331    HA   SER  43           HA       SER  43 -12.817 -11.097  -6.725
  332   1HB   SER  43          1HB       SER  43 -11.056 -12.388  -5.750
  333   2HB   SER  43          2HB       SER  43 -11.102 -11.498  -4.241
  334    HG   SER  43           HG       SER  43 -12.915 -12.498  -3.617
  335    H    THR  44           H        THR  44 -12.342  -9.877  -3.399
  336    HA   THR  44           HA       THR  44 -15.175  -9.346  -3.123
  337    HB   THR  44           HB       THR  44 -14.897 -11.036  -1.034
  338    HG1  THR  44           HG1      THR  44 -13.495 -12.618  -1.377
  339   1HG2  THR  44          1HG2      THR  44 -15.879 -12.819  -2.321
  340   2HG2  THR  44          2HG2      THR  44 -15.320 -12.100  -3.845
  341   3HG2  THR  44          3HG2      THR  44 -16.548 -11.264  -2.867
  342    H    LEU  45           H        LEU  45 -11.977  -9.285  -1.674
  343    HA   LEU  45           HA       LEU  45 -12.846  -8.048   0.799
  344   1HB   LEU  45          1HB       LEU  45 -10.798  -9.428   0.547
  345   2HB   LEU  45          2HB       LEU  45 -10.095  -8.198  -0.500
  346    HG   LEU  45           HG       LEU  45  -9.947  -6.614   1.342
  347   1HD1  LEU  45          1HD1      LEU  45 -11.231  -8.786   3.072
  348   2HD1  LEU  45          2HD1      LEU  45 -11.934  -7.198   2.706
  349   3HD1  LEU  45          3HD1      LEU  45 -10.472  -7.299   3.680
  350   1HD2  LEU  45          1HD2      LEU  45  -8.266  -7.789   2.666
  351   2HD2  LEU  45          2HD2      LEU  45  -8.163  -8.352   0.989
  352   3HD2  LEU  45          3HD2      LEU  45  -8.945  -9.367   2.210
  353    H    SER  46           H        SER  46 -12.481  -5.783   1.463
  354    HA   SER  46           HA       SER  46 -11.374  -3.810  -0.212
  355   1HB   SER  46          1HB       SER  46 -14.422  -3.932  -0.009
  356   2HB   SER  46          2HB       SER  46 -13.541  -2.427  -0.344
  357    HG   SER  46           HG       SER  46 -12.970  -4.740  -1.859
  358    H    PHE  47           H        PHE  47 -11.764  -1.629   0.932
  359    HA   PHE  47           HA       PHE  47 -11.636  -2.099   3.862
  360   1HB   PHE  47          1HB       PHE  47  -9.824  -0.687   1.898
  361   2HB   PHE  47          2HB       PHE  47 -10.016  -0.001   3.474
  362    HD1  PHE  47           HD1      PHE  47  -7.582  -0.203   3.633
  363    HD2  PHE  47           HD2      PHE  47 -10.064  -3.733   3.437
  364    HE1  PHE  47           HE1      PHE  47  -5.777  -1.547   4.662
  365    HE2  PHE  47           HE2      PHE  47  -8.286  -5.038   4.489
  366    HZ   PHE  47           HZ       PHE  47  -6.129  -3.967   5.112
  367    H    VAL  48           H        VAL  48 -11.632   0.367   4.817
  368    HA   VAL  48           HA       VAL  48 -13.897   1.817   3.768
  369    HB   VAL  48           HB       VAL  48 -13.644   0.653   6.576
  370   1HG1  VAL  48          1HG1      VAL  48 -15.710   2.653   5.579
  371   2HG1  VAL  48          2HG1      VAL  48 -15.691   1.848   7.176
  372   3HG1  VAL  48          3HG1      VAL  48 -14.422   2.988   6.763
  373   1HG2  VAL  48          1HG2      VAL  48 -14.688  -0.900   4.971
  374   2HG2  VAL  48          2HG2      VAL  48 -15.903  -0.296   6.095
  375   3HG2  VAL  48          3HG2      VAL  48 -15.818   0.364   4.445
  376    H    CYS  49           H        CYS  49 -13.510   4.038   3.974
  377    HA   CYS  49           HA       CYS  49 -10.819   4.805   4.724
  378   1HB   CYS  49          1HB       CYS  49 -11.566   7.072   4.129
  379   2HB   CYS  49          2HB       CYS  49 -11.940   5.903   2.877
  380    HA   PRO  50           HA       PRO  50 -11.450   5.438   8.977
  381   1HB   PRO  50          1HB       PRO  50 -10.016   7.728   9.617
  382   2HB   PRO  50          2HB       PRO  50  -9.306   6.119   9.291
  383   1HG   PRO  50          1HG       PRO  50  -9.633   8.437   7.369
  384   2HG   PRO  50          2HG       PRO  50  -8.188   7.407   7.631
  385   1HD   PRO  50          1HD       PRO  50  -9.867   6.949   5.563
  386   2HD   PRO  50          2HD       PRO  50  -9.180   5.576   6.483
  387    H    TRP  51           H        TRP  51 -12.188   8.291   6.964
  388    HA   TRP  51           HA       TRP  51 -13.890   9.671   8.773
  389   1HB   TRP  51          1HB       TRP  51 -13.065  10.535   6.589
  390   2HB   TRP  51          2HB       TRP  51 -14.164   9.429   5.758
  391    HD1  TRP  51           HD1      TRP  51 -16.466  10.422   5.239
  392    HE1  TRP  51           HE1      TRP  51 -17.953  12.268   6.178
  393    HE3  TRP  51           HE3      TRP  51 -13.496  11.992   9.103
  394    HZ2  TRP  51           HZ2      TRP  51 -17.883  14.215   8.321
  395    HZ3  TRP  51           HZ3      TRP  51 -14.267  13.794  10.621
  396    HH2  TRP  51           HH2      TRP  51 -16.454  14.909  10.240
  397    H    CYS  52           H        CYS  52 -14.619   6.985   6.499
  398    HA   CYS  52           HA       CYS  52 -17.422   6.824   7.283
  399   1HB   CYS  52          1HB       CYS  52 -15.531   5.117   5.645
  400   2HB   CYS  52          2HB       CYS  52 -17.109   4.529   6.122
  401    H    ALA  53           H        ALA  53 -14.393   5.328   8.440
  402    HA   ALA  53           HA       ALA  53 -15.683   3.406  10.123
  403   1HB   ALA  53          1HB       ALA  53 -13.031   4.807  10.639
  404   2HB   ALA  53          2HB       ALA  53 -13.594   3.281  11.332
  405   3HB   ALA  53          3HB       ALA  53 -13.246   3.381   9.594
  406    H    THR  54           H        THR  54 -14.604   6.813  10.788
  407    HA   THR  54           HA       THR  54 -15.678   6.935  13.408
  408    HB   THR  54           HB       THR  54 -15.207   9.172  11.384
  409    HG1  THR  54           HG1      THR  54 -13.515   7.941  13.294
  410   1HG2  THR  54          1HG2      THR  54 -14.803  10.593  13.379
  411   2HG2  THR  54          2HG2      THR  54 -15.322   9.258  14.435
  412   3HG2  THR  54          3HG2      THR  54 -16.473  10.018  13.315
  413    H    ASN  55           H        ASN  55 -17.146   7.953  10.276
  414    HA   ASN  55           HA       ASN  55 -19.549   8.956  11.572
  415   1HB   ASN  55          1HB       ASN  55 -18.889   8.390   8.650
  416   2HB   ASN  55          2HB       ASN  55 -20.465   8.966   9.192
  417   1HD2  ASN  55          1HD2      ASN  55 -16.965   9.792   9.375
  418   2HD2  ASN  55          2HD2      ASN  55 -17.252  11.509   9.596
  419    H    GLN  56           H        GLN  56 -18.561   5.921  10.317
  420    HA   GLN  56           HA       GLN  56 -19.288   3.836  10.540
  421   1HB   GLN  56          1HB       GLN  56 -19.354   4.595  12.915
  422   2HB   GLN  56          2HB       GLN  56 -21.089   4.835  12.750
  423   1HG   GLN  56          1HG       GLN  56 -20.508   2.202  11.723
  424   2HG   GLN  56          2HG       GLN  56 -19.567   2.386  13.194
  425   1HE2  GLN  56          1HE2      GLN  56 -22.823   3.279  11.988
  426   2HE2  GLN  56          2HE2      GLN  56 -23.735   2.639  13.389
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  17.326  14.302  -2.599
    2   1HA   GLY   1          1HA       GLY   1  15.872  14.484  -4.537
    3   2HA   GLY   1          2HA       GLY   1  17.604  14.502  -4.956
    4    H    SER   2           H        SER   2  15.281  13.610  -6.619
    5    HA   SER   2           HA       SER   2  14.487  11.946  -7.846
    6   1HB   SER   2          1HB       SER   2  16.929  11.745  -8.505
    7   2HB   SER   2          2HB       SER   2  17.043  10.379  -7.375
    8    HG   SER   2           HG       SER   2  16.535   9.683  -9.484
    9    H    HIS   3           H        HIS   3  14.590   9.191  -7.652
   10    HA   HIS   3           HA       HIS   3  13.894   8.232  -5.012
   11   1HB   HIS   3          1HB       HIS   3  11.787   9.004  -7.002
   12   2HB   HIS   3          2HB       HIS   3  11.628   7.378  -6.381
   13    HD1  HIS   3           HD1      HIS   3  12.691  10.463  -4.320
   14    HD2  HIS   3           HD2      HIS   3   9.692   7.528  -4.672
   15    HE1  HIS   3           HE1      HIS   3  11.083  10.781  -2.315
   16    H    MET   4           H        MET   4  12.898   5.782  -5.619
   17    HA   MET   4           HA       MET   4  14.406   4.670  -7.883
   18   1HB   MET   4          1HB       MET   4  15.828   4.341  -5.905
   19   2HB   MET   4          2HB       MET   4  14.479   3.659  -5.004
   20   1HG   MET   4          1HG       MET   4  16.077   1.957  -5.847
   21   2HG   MET   4          2HG       MET   4  14.426   1.696  -6.378
   22   1HE   MET   4          1HE       MET   4  17.077   4.291  -7.947
   23   2HE   MET   4          2HE       MET   4  18.020   2.887  -7.385
   24   3HE   MET   4          3HE       MET   4  17.854   3.213  -9.125
   25    H    ALA   5           H        ALA   5  13.429   2.659  -8.624
   26    HA   ALA   5           HA       ALA   5  10.597   2.411  -8.116
   27   1HB   ALA   5          1HB       ALA   5  11.389   2.450 -10.428
   28   2HB   ALA   5          2HB       ALA   5  12.467   1.069 -10.103
   29   3HB   ALA   5          3HB       ALA   5  10.701   0.857 -10.034
   30    H    GLU   6           H        GLU   6  11.195   1.795  -5.824
   31    HA   GLU   6           HA       GLU   6  12.860  -0.435  -5.327
   32   1HB   GLU   6          1HB       GLU   6  10.782   0.641  -3.408
   33   2HB   GLU   6          2HB       GLU   6  12.311  -0.163  -3.032
   34   1HG   GLU   6          1HG       GLU   6  13.599   1.760  -3.732
   35   2HG   GLU   6          2HG       GLU   6  12.197   2.541  -4.448
   36    HA   PRO   7           HA       PRO   7   9.758  -3.723  -5.787
   37   1HB   PRO   7          1HB       PRO   7  11.211  -5.869  -5.072
   38   2HB   PRO   7          2HB       PRO   7  11.718  -4.854  -6.451
   39   1HG   PRO   7          1HG       PRO   7  12.730  -4.713  -3.585
   40   2HG   PRO   7          2HG       PRO   7  13.696  -4.828  -5.091
   41   1HD   PRO   7          1HD       PRO   7  13.084  -2.431  -3.831
   42   2HD   PRO   7          2HD       PRO   7  13.345  -2.564  -5.597
   43    H    GLN   8           H        GLN   8   9.340  -2.070  -3.631
   44    HA   GLN   8           HA       GLN   8   8.344  -3.812  -1.478
   45   1HB   GLN   8          1HB       GLN   8  10.299  -1.572  -0.950
   46   2HB   GLN   8          2HB       GLN   8   9.212  -2.247   0.270
   47   1HG   GLN   8          1HG       GLN   8  11.308  -3.850  -1.261
   48   2HG   GLN   8          2HG       GLN   8  11.478  -3.174   0.347
   49   1HE2  GLN   8          1HE2      GLN   8   9.746  -5.685  -1.529
   50   2HE2  GLN   8          2HE2      GLN   8   9.387  -6.650  -0.083
   51    H    ARG   9           H        ARG   9   8.928  -0.328  -1.783
   52    HA   ARG   9           HA       ARG   9   6.460   0.456  -0.938
   53   1HB   ARG   9          1HB       ARG   9   8.683   1.681  -1.063
   54   2HB   ARG   9          2HB       ARG   9   8.137   2.274  -2.635
   55   1HG   ARG   9          1HG       ARG   9   6.139   3.007  -1.492
   56   2HG   ARG   9          2HG       ARG   9   6.965   2.605  -0.000
   57   1HD   ARG   9          1HD       ARG   9   7.663   4.616  -2.046
   58   2HD   ARG   9          2HD       ARG   9   7.278   4.874  -0.320
   59    HE   ARG   9           HE       ARG   9   9.877   4.022  -1.537
   60   1HH1  ARG   9          1HH1      ARG   9   8.255   3.906   1.705
   61   2HH1  ARG   9          2HH1      ARG   9   9.635   3.274   2.320
   62   1HH2  ARG   9          1HH2      ARG   9  11.654   3.392  -0.473
   63   2HH2  ARG   9          2HH2      ARG   9  11.722   3.426   1.251
   64    H    HIS  10           H        HIS  10   4.705   0.194  -1.724
   65    HA   HIS  10           HA       HIS  10   4.220   0.048  -4.721
   66   1HB   HIS  10          1HB       HIS  10   3.559  -2.192  -2.791
   67   2HB   HIS  10          2HB       HIS  10   2.982  -2.045  -4.442
   68    HD1  HIS  10           HD1      HIS  10   4.815  -4.534  -3.408
   69    HD2  HIS  10           HD2      HIS  10   6.167  -1.088  -5.388
   70    HE1  HIS  10           HE1      HIS  10   6.941  -5.172  -4.580
   71    H    LYS  11           H        LYS  11   2.622   1.341  -5.166
   72    HA   LYS  11           HA       LYS  11   0.645   2.122  -3.133
   73   1HB   LYS  11          1HB       LYS  11   1.439   3.197  -5.853
   74   2HB   LYS  11          2HB       LYS  11  -0.019   3.712  -5.003
   75   1HG   LYS  11          1HG       LYS  11   1.684   5.300  -4.603
   76   2HG   LYS  11          2HG       LYS  11   1.241   4.515  -3.115
   77   1HD   LYS  11          1HD       LYS  11   3.638   4.906  -3.141
   78   2HD   LYS  11          2HD       LYS  11   3.346   3.167  -3.229
   79   1HE   LYS  11          1HE       LYS  11   3.665   3.192  -5.631
   80   2HE   LYS  11          2HE       LYS  11   4.019   4.929  -5.591
   81   1HZ   LYS  11          1HZ       LYS  11   6.063   3.745  -5.614
   82   2HZ   LYS  11          2HZ       LYS  11   5.640   2.723  -4.422
   83   3HZ   LYS  11          3HZ       LYS  11   5.900   4.323  -4.086
   84    H    ILE  12           H        ILE  12  -0.995   0.813  -2.955
   85    HA   ILE  12           HA       ILE  12  -2.371  -0.235  -5.397
   86    HB   ILE  12           HB       ILE  12  -2.374  -1.298  -2.552
   87   1HG1  ILE  12          1HG1      ILE  12  -1.276  -2.595  -5.086
   88   2HG1  ILE  12          2HG1      ILE  12  -0.279  -1.724  -3.923
   89   1HG2  ILE  12          1HG2      ILE  12  -3.888  -2.189  -5.048
   90   2HG2  ILE  12          2HG2      ILE  12  -3.778  -3.152  -3.558
   91   3HG2  ILE  12          3HG2      ILE  12  -4.585  -1.593  -3.539
   92   1HD1  ILE  12          1HD1      ILE  12  -0.074  -4.021  -3.365
   93   2HD1  ILE  12          2HD1      ILE  12  -1.040  -3.252  -2.115
   94   3HD1  ILE  12          3HD1      ILE  12  -1.822  -4.267  -3.367
   95    H    LEU  13           H        LEU  13  -3.718   1.438  -5.884
   96    HA   LEU  13           HA       LEU  13  -5.139   2.977  -3.959
   97   1HB   LEU  13          1HB       LEU  13  -4.566   3.734  -6.223
   98   2HB   LEU  13          2HB       LEU  13  -5.717   2.596  -6.920
   99    HG   LEU  13           HG       LEU  13  -6.770   4.435  -4.767
  100   1HD1  LEU  13          1HD1      LEU  13  -7.017   6.280  -6.409
  101   2HD1  LEU  13          2HD1      LEU  13  -5.943   5.395  -7.513
  102   3HD1  LEU  13          3HD1      LEU  13  -5.333   5.940  -5.927
  103   1HD2  LEU  13          1HD2      LEU  13  -8.316   2.881  -5.927
  104   2HD2  LEU  13          2HD2      LEU  13  -7.890   3.619  -7.484
  105   3HD2  LEU  13          3HD2      LEU  13  -8.736   4.564  -6.238
  106    H    CYS  14           H        CYS  14  -6.593   2.099  -2.663
  107    HA   CYS  14           HA       CYS  14  -8.608   0.198  -3.822
  108   1HB   CYS  14          1HB       CYS  14  -7.122  -0.671  -1.900
  109   2HB   CYS  14          2HB       CYS  14  -8.035   0.438  -0.853
  110    HG   CYS  14           HG       CYS  14  -9.059  -2.077  -2.772
  111    H    VAL  15           H        VAL  15 -10.774   0.479  -2.223
  112    HA   VAL  15           HA       VAL  15 -11.240   3.357  -1.871
  113    HB   VAL  15           HB       VAL  15 -13.413   3.243  -3.018
  114   1HG1  VAL  15          1HG1      VAL  15 -11.423   4.216  -4.115
  115   2HG1  VAL  15          2HG1      VAL  15 -11.079   2.645  -4.878
  116   3HG1  VAL  15          3HG1      VAL  15 -12.574   3.525  -5.265
  117   1HG2  VAL  15          1HG2      VAL  15 -12.448   0.597  -4.192
  118   2HG2  VAL  15          2HG2      VAL  15 -13.784   0.790  -3.032
  119   3HG2  VAL  15          3HG2      VAL  15 -13.909   1.499  -4.647
  120    H    CYS  16           H        CYS  16 -12.833   3.921  -0.529
  121    HA   CYS  16           HA       CYS  16 -13.842   2.137   1.506
  122   1HB   CYS  16          1HB       CYS  16 -13.576   4.598   1.818
  123   2HB   CYS  16          2HB       CYS  16 -14.843   4.853   0.598
  124    H    CYS  17           H        CYS  17 -15.298   0.644   1.210
  125    HA   CYS  17           HA       CYS  17 -16.620   0.004  -1.115
  126   1HB   CYS  17          1HB       CYS  17 -16.205  -1.384   1.040
  127   2HB   CYS  17          2HB       CYS  17 -17.707  -0.680   1.647
  128    HG   CYS  17           HG       CYS  17 -18.993  -1.314  -0.688
  129    H    LYS  18           H        LYS  18 -17.693   2.438   1.131
  130    HA   LYS  18           HA       LYS  18 -20.491   2.307   0.127
  131   1HB   LYS  18          1HB       LYS  18 -21.052   3.100   2.430
  132   2HB   LYS  18          2HB       LYS  18 -20.367   1.469   2.326
  133   1HG   LYS  18          1HG       LYS  18 -18.171   2.311   3.036
  134   2HG   LYS  18          2HG       LYS  18 -18.793   3.962   3.118
  135   1HD   LYS  18          1HD       LYS  18 -20.205   1.805   4.666
  136   2HD   LYS  18          2HD       LYS  18 -18.604   2.285   5.218
  137   1HE   LYS  18          1HE       LYS  18 -19.859   3.744   6.439
  138   2HE   LYS  18          2HE       LYS  18 -19.474   4.724   5.026
  139   1HZ   LYS  18          1HZ       LYS  18 -21.766   4.210   4.221
  140   2HZ   LYS  18          2HZ       LYS  18 -21.744   4.869   5.783
  141   3HZ   LYS  18          3HZ       LYS  18 -22.003   3.356   5.677
  142    H    CYS  19           H        CYS  19 -17.760   4.547   0.594
  143    HA   CYS  19           HA       CYS  19 -19.520   6.608  -0.587
  144   1HB   CYS  19          1HB       CYS  19 -18.179   8.209   0.429
  145   2HB   CYS  19          2HB       CYS  19 -18.712   7.122   1.695
  146    H    ASP  20           H        ASP  20 -17.208   4.350  -1.498
  147    HA   ASP  20           HA       ASP  20 -15.710   4.106  -3.064
  148   1HB   ASP  20          1HB       ASP  20 -17.645   4.798  -4.459
  149   2HB   ASP  20          2HB       ASP  20 -16.996   6.438  -4.480
  150    H    GLY  21           H        GLY  21 -15.242   6.044  -0.816
  151   1HA   GLY  21          1HA       GLY  21 -13.599   8.174  -1.714
  152   2HA   GLY  21          2HA       GLY  21 -13.528   7.536  -0.086
  153    H    ARG  22           H        ARG  22 -11.674   8.312  -2.161
  154    HA   ARG  22           HA       ARG  22 -10.203   6.081  -3.243
  155   1HB   ARG  22          1HB       ARG  22 -10.430   8.279  -4.312
  156   2HB   ARG  22          2HB       ARG  22  -9.519   9.056  -3.020
  157   1HG   ARG  22          1HG       ARG  22  -8.221   6.809  -4.560
  158   2HG   ARG  22          2HG       ARG  22  -8.463   8.363  -5.371
  159   1HD   ARG  22          1HD       ARG  22  -7.267   9.481  -3.419
  160   2HD   ARG  22          2HD       ARG  22  -6.819   7.854  -2.870
  161    HE   ARG  22           HE       ARG  22  -6.172   8.147  -5.623
  162   1HH1  ARG  22          1HH1      ARG  22  -4.947   9.375  -2.462
  163   2HH1  ARG  22          2HH1      ARG  22  -3.280   9.080  -3.008
  164   1HH2  ARG  22          1HH2      ARG  22  -3.858   8.108  -6.209
  165   2HH2  ARG  22          2HH2      ARG  22  -2.753   8.469  -4.875
  166    H    ILE  23           H        ILE  23  -8.876   4.722  -2.025
  167    HA   ILE  23           HA       ILE  23  -7.247   6.047   0.074
  168    HB   ILE  23           HB       ILE  23  -7.456   3.064  -0.056
  169   1HG1  ILE  23          1HG1      ILE  23  -9.801   3.502  -0.131
  170   2HG1  ILE  23          2HG1      ILE  23  -9.249   2.788   1.374
  171   1HG2  ILE  23          1HG2      ILE  23  -5.885   4.212   1.443
  172   2HG2  ILE  23          2HG2      ILE  23  -7.222   5.068   2.225
  173   3HG2  ILE  23          3HG2      ILE  23  -7.091   3.300   2.367
  174   1HD1  ILE  23          1HD1      ILE  23  -9.573   4.822   2.593
  175   2HD1  ILE  23          2HD1      ILE  23 -10.015   5.689   1.088
  176   3HD1  ILE  23          3HD1      ILE  23 -11.046   4.382   1.716
  177    H    GLU  24           H        GLU  24  -5.047   5.905  -0.212
  178    HA   GLU  24           HA       GLU  24  -4.018   4.384  -2.578
  179   1HB   GLU  24          1HB       GLU  24  -3.745   6.700  -2.838
  180   2HB   GLU  24          2HB       GLU  24  -2.980   6.907  -1.253
  181   1HG   GLU  24          1HG       GLU  24  -1.061   5.517  -2.046
  182   2HG   GLU  24          2HG       GLU  24  -1.870   5.291  -3.599
  183    H    LEU  25           H        LEU  25  -3.723   2.348  -1.615
  184    HA   LEU  25           HA       LEU  25  -2.540   2.247   1.027
  185   1HB   LEU  25          1HB       LEU  25  -2.971  -0.126  -0.789
  186   2HB   LEU  25          2HB       LEU  25  -2.768  -0.099   0.943
  187    HG   LEU  25           HG       LEU  25  -5.177   0.934  -0.631
  188   1HD1  LEU  25          1HD1      LEU  25  -4.751  -1.547   1.093
  189   2HD1  LEU  25          2HD1      LEU  25  -4.896  -1.504  -0.678
  190   3HD1  LEU  25          3HD1      LEU  25  -6.283  -1.058   0.333
  191   1HD2  LEU  25          1HD2      LEU  25  -4.854   2.179   1.506
  192   2HD2  LEU  25          2HD2      LEU  25  -4.793   0.646   2.390
  193   3HD2  LEU  25          3HD2      LEU  25  -6.285   1.138   1.557
  194    H    THR  26           H        THR  26  -0.459   3.380   0.472
  195    HA   THR  26           HA       THR  26   1.329   1.681  -1.137
  196    HB   THR  26           HB       THR  26   1.925   3.990  -1.194
  197    HG1  THR  26           HG1      THR  26   3.722   1.964  -0.313
  198   1HG2  THR  26          1HG2      THR  26   3.334   3.638   1.441
  199   2HG2  THR  26          2HG2      THR  26   1.838   4.605   1.237
  200   3HG2  THR  26          3HG2      THR  26   3.323   5.030   0.344
  201    H    VAL  27           H        VAL  27   1.566  -0.235  -0.479
  202    HA   VAL  27           HA       VAL  27   2.309  -0.746   2.371
  203    HB   VAL  27           HB       VAL  27   2.582  -3.092   1.711
  204   1HG1  VAL  27          1HG1      VAL  27  -0.154  -1.998   0.940
  205   2HG1  VAL  27          2HG1      VAL  27   0.217  -3.632   1.535
  206   3HG1  VAL  27          3HG1      VAL  27   0.434  -2.235   2.600
  207   1HG2  VAL  27          1HG2      VAL  27   3.126  -2.834  -0.690
  208   2HG2  VAL  27          2HG2      VAL  27   1.812  -3.981  -0.416
  209   3HG2  VAL  27          3HG2      VAL  27   1.442  -2.354  -1.019
  210    H    GLU  28           H        GLU  28   4.461  -1.973   2.529
  211    HA   GLU  28           HA       GLU  28   6.331  -1.430   0.361
  212   1HB   GLU  28          1HB       GLU  28   6.782  -0.774   3.242
  213   2HB   GLU  28          2HB       GLU  28   8.136  -1.343   2.247
  214   1HG   GLU  28          1HG       GLU  28   7.958   0.424   0.753
  215   2HG   GLU  28          2HG       GLU  28   6.329   0.863   1.284
  216    H    SER  29           H        SER  29   6.089  -3.509  -0.477
  217    HA   SER  29           HA       SER  29   6.700  -5.792   1.247
  218   1HB   SER  29          1HB       SER  29   4.234  -5.071   1.667
  219   2HB   SER  29          2HB       SER  29   3.928  -5.626   0.009
  220    HG   SER  29           HG       SER  29   3.504  -7.299   1.405
  221    H    SER  30           H        SER  30   6.143  -7.872  -0.096
  222    HA   SER  30           HA       SER  30   7.693  -7.627  -2.556
  223   1HB   SER  30          1HB       SER  30   7.748  -9.638  -0.996
  224   2HB   SER  30          2HB       SER  30   6.119 -10.054  -1.568
  225    HG   SER  30           HG       SER  30   7.601 -11.231  -2.847
  226    H    ALA  31           H        ALA  31   6.957  -8.719  -4.522
  227    HA   ALA  31           HA       ALA  31   4.530  -7.663  -5.709
  228   1HB   ALA  31          1HB       ALA  31   5.180  -9.080  -7.617
  229   2HB   ALA  31          2HB       ALA  31   6.555  -8.117  -7.040
  230   3HB   ALA  31          3HB       ALA  31   6.445  -9.848  -6.635
  231    H    GLU  32           H        GLU  32   5.490 -10.706  -4.101
  232    HA   GLU  32           HA       GLU  32   3.288 -12.311  -4.954
  233   1HB   GLU  32          1HB       GLU  32   4.933 -12.477  -2.399
  234   2HB   GLU  32          2HB       GLU  32   3.951 -13.775  -3.063
  235   1HG   GLU  32          1HG       GLU  32   5.519 -14.379  -4.611
  236   2HG   GLU  32          2HG       GLU  32   6.023 -12.729  -4.949
  237    H    ASP  33           H        ASP  33   3.898 -10.449  -1.977
  238    HA   ASP  33           HA       ASP  33   1.358 -10.905  -0.735
  239   1HB   ASP  33          1HB       ASP  33   3.306 -10.343   0.580
  240   2HB   ASP  33          2HB       ASP  33   3.535  -8.843  -0.330
  241    H    LEU  34           H        LEU  34   2.756  -8.117  -2.612
  242    HA   LEU  34           HA       LEU  34   0.465  -6.515  -2.780
  243   1HB   LEU  34          1HB       LEU  34   2.495  -5.739  -3.719
  244   2HB   LEU  34          2HB       LEU  34   2.635  -7.104  -4.812
  245    HG   LEU  34           HG       LEU  34   0.140  -5.496  -5.202
  246   1HD1  LEU  34          1HD1      LEU  34   2.861  -4.320  -5.885
  247   2HD1  LEU  34          2HD1      LEU  34   1.709  -3.723  -4.669
  248   3HD1  LEU  34          3HD1      LEU  34   1.275  -3.674  -6.380
  249   1HD2  LEU  34          1HD2      LEU  34   0.781  -7.295  -6.811
  250   2HD2  LEU  34          2HD2      LEU  34   2.303  -6.455  -7.140
  251   3HD2  LEU  34          3HD2      LEU  34   0.753  -5.714  -7.585
  252    H    ARG  35           H        ARG  35   1.300  -9.323  -4.902
  253    HA   ARG  35           HA       ARG  35  -1.058  -9.101  -6.476
  254   1HB   ARG  35          1HB       ARG  35   0.893 -10.537  -7.121
  255   2HB   ARG  35          2HB       ARG  35   0.488 -11.667  -5.824
  256   1HG   ARG  35          1HG       ARG  35  -1.778 -11.965  -6.782
  257   2HG   ARG  35          2HG       ARG  35  -1.355 -10.902  -8.126
  258   1HD   ARG  35          1HD       ARG  35   0.165 -12.554  -9.007
  259   2HD   ARG  35          2HD       ARG  35   0.051 -13.531  -7.515
  260    HE   ARG  35           HE       ARG  35  -2.570 -13.116  -8.430
  261   1HH1  ARG  35          1HH1      ARG  35   0.194 -14.990  -9.598
  262   2HH1  ARG  35          2HH1      ARG  35  -0.796 -16.157 -10.413
  263   1HH2  ARG  35          1HH2      ARG  35  -3.809 -14.508  -9.347
  264   2HH2  ARG  35          2HH2      ARG  35  -3.229 -15.860 -10.300
  265    H    THR  36           H        THR  36  -0.333 -11.191  -3.716
  266    HA   THR  36           HA       THR  36  -2.787 -12.497  -3.532
  267    HB   THR  36           HB       THR  36  -0.946 -11.675  -1.221
  268    HG1  THR  36           HG1      THR  36   0.282 -12.737  -2.703
  269   1HG2  THR  36          1HG2      THR  36  -1.725 -13.742  -0.126
  270   2HG2  THR  36          2HG2      THR  36  -2.871 -14.029  -1.457
  271   3HG2  THR  36          3HG2      THR  36  -3.066 -12.619  -0.386
  272    H    LEU  37           H        LEU  37  -1.775  -9.509  -1.802
  273    HA   LEU  37           HA       LEU  37  -4.286  -9.159  -0.548
  274   1HB   LEU  37          1HB       LEU  37  -3.435  -7.398   0.526
  275   2HB   LEU  37          2HB       LEU  37  -1.992  -8.277   0.122
  276    HG   LEU  37           HG       LEU  37  -1.894  -6.596  -1.955
  277   1HD1  LEU  37          1HD1      LEU  37  -3.687  -5.163   0.065
  278   2HD1  LEU  37          2HD1      LEU  37  -4.008  -5.433  -1.667
  279   3HD1  LEU  37          3HD1      LEU  37  -2.757  -4.310  -1.156
  280   1HD2  LEU  37          1HD2      LEU  37  -0.543  -5.062  -0.565
  281   2HD2  LEU  37          2HD2      LEU  37  -0.213  -6.753  -0.169
  282   3HD2  LEU  37          3HD2      LEU  37  -1.236  -5.785   0.906
  283    H    GLN  38           H        GLN  38  -2.991  -8.062  -3.676
  284    HA   GLN  38           HA       GLN  38  -5.189  -6.420  -4.416
  285   1HB   GLN  38          1HB       GLN  38  -2.927  -6.695  -5.654
  286   2HB   GLN  38          2HB       GLN  38  -3.630  -8.138  -6.377
  287   1HG   GLN  38          1HG       GLN  38  -4.052  -6.524  -7.965
  288   2HG   GLN  38          2HG       GLN  38  -5.585  -6.568  -7.097
  289   1HE2  GLN  38          1HE2      GLN  38  -2.379  -4.855  -7.138
  290   2HE2  GLN  38          2HE2      GLN  38  -3.070  -3.308  -6.668
  291    H    GLN  39           H        GLN  39  -4.674 -10.030  -4.711
  292    HA   GLN  39           HA       GLN  39  -6.938 -10.570  -6.262
  293   1HB   GLN  39          1HB       GLN  39  -6.098 -12.507  -4.158
  294   2HB   GLN  39          2HB       GLN  39  -6.915 -12.774  -5.683
  295   1HG   GLN  39          1HG       GLN  39  -4.053 -12.085  -5.233
  296   2HG   GLN  39          2HG       GLN  39  -4.710 -13.624  -5.748
  297   1HE2  GLN  39          1HE2      GLN  39  -4.418 -10.227  -6.798
  298   2HE2  GLN  39          2HE2      GLN  39  -4.155 -10.605  -8.489
  299    H    LEU  40           H        LEU  40  -6.517 -10.436  -2.673
  300    HA   LEU  40           HA       LEU  40  -9.331 -11.071  -2.252
  301   1HB   LEU  40          1HB       LEU  40  -8.919 -10.137   0.085
  302   2HB   LEU  40          2HB       LEU  40  -8.242 -11.668  -0.453
  303    HG   LEU  40           HG       LEU  40  -6.133 -10.018  -0.935
  304   1HD1  LEU  40          1HD1      LEU  40  -7.337  -8.058   0.083
  305   2HD1  LEU  40          2HD1      LEU  40  -5.852  -8.484   0.940
  306   3HD1  LEU  40          3HD1      LEU  40  -7.415  -8.970   1.604
  307   1HD2  LEU  40          1HD2      LEU  40  -5.175 -10.894   1.148
  308   2HD2  LEU  40          2HD2      LEU  40  -6.030 -12.142   0.235
  309   3HD2  LEU  40          3HD2      LEU  40  -6.791 -11.418   1.670
  310    H    PHE  41           H        PHE  41  -7.599  -8.008  -2.171
  311    HA   PHE  41           HA       PHE  41 -10.020  -6.469  -1.696
  312   1HB   PHE  41          1HB       PHE  41  -7.295  -5.613  -2.653
  313   2HB   PHE  41          2HB       PHE  41  -8.649  -4.505  -2.699
  314    HD1  PHE  41           HD1      PHE  41  -6.030  -5.699  -0.580
  315    HD2  PHE  41           HD2      PHE  41 -10.031  -4.104  -0.517
  316    HE1  PHE  41           HE1      PHE  41  -5.770  -5.140   1.804
  317    HE2  PHE  41           HE2      PHE  41  -9.791  -3.612   1.884
  318    HZ   PHE  41           HZ       PHE  41  -7.663  -4.125   3.062
  319    H    LEU  42           H        LEU  42  -8.690  -7.781  -4.662
  320    HA   LEU  42           HA       LEU  42 -10.514  -6.442  -6.461
  321   1HB   LEU  42          1HB       LEU  42  -8.333  -7.346  -7.135
  322   2HB   LEU  42          2HB       LEU  42  -8.813  -8.961  -6.611
  323    HG   LEU  42           HG       LEU  42 -10.512  -9.021  -8.447
  324   1HD1  LEU  42          1HD1      LEU  42  -9.118  -6.419  -9.264
  325   2HD1  LEU  42          2HD1      LEU  42 -10.826  -6.601  -8.800
  326   3HD1  LEU  42          3HD1      LEU  42 -10.236  -7.353 -10.285
  327   1HD2  LEU  42          1HD2      LEU  42  -8.287 -10.061  -8.637
  328   2HD2  LEU  42          2HD2      LEU  42  -7.598  -8.524  -9.213
  329   3HD2  LEU  42          3HD2      LEU  42  -8.799  -9.393 -10.193
  330    H    SER  43           H        SER  43 -10.528  -9.481  -4.573
  331    HA   SER  43           HA       SER  43 -12.820 -10.669  -5.782
  332   1HB   SER  43          1HB       SER  43 -11.287 -11.989  -4.485
  333   2HB   SER  43          2HB       SER  43 -11.461 -10.964  -3.071
  334    HG   SER  43           HG       SER  43 -13.430 -11.751  -2.643
  335    H    THR  44           H        THR  44 -12.534  -9.091  -2.601
  336    HA   THR  44           HA       THR  44 -15.304  -8.255  -2.617
  337    HB   THR  44           HB       THR  44 -15.435  -9.787  -0.386
  338    HG1  THR  44           HG1      THR  44 -14.325 -11.618  -0.535
  339   1HG2  THR  44          1HG2      THR  44 -17.015  -9.903  -2.302
  340   2HG2  THR  44          2HG2      THR  44 -16.656 -11.482  -1.581
  341   3HG2  THR  44          3HG2      THR  44 -15.905 -11.025  -3.120
  342    H    LEU  45           H        LEU  45 -12.299  -8.707  -0.736
  343    HA   LEU  45           HA       LEU  45 -13.146  -7.195   1.509
  344   1HB   LEU  45          1HB       LEU  45 -11.053  -8.736   1.236
  345   2HB   LEU  45          2HB       LEU  45 -10.278  -7.328   0.513
  346    HG   LEU  45           HG       LEU  45 -10.865  -6.045   2.663
  347   1HD1  LEU  45          1HD1      LEU  45 -11.481  -8.876   3.646
  348   2HD1  LEU  45          2HD1      LEU  45 -12.636  -7.530   3.568
  349   3HD1  LEU  45          3HD1      LEU  45 -11.275  -7.456   4.690
  350   1HD2  LEU  45          1HD2      LEU  45  -9.095  -8.492   3.031
  351   2HD2  LEU  45          2HD2      LEU  45  -8.999  -6.960   3.926
  352   3HD2  LEU  45          3HD2      LEU  45  -8.607  -6.994   2.202
  353    H    SER  46           H        SER  46 -12.934  -4.912   2.001
  354    HA   SER  46           HA       SER  46 -12.228  -3.110  -0.197
  355   1HB   SER  46          1HB       SER  46 -14.997  -3.273   1.061
  356   2HB   SER  46          2HB       SER  46 -14.438  -2.050  -0.095
  357    HG   SER  46           HG       SER  46 -14.633  -4.857  -0.658
  358    H    PHE  47           H        PHE  47 -12.335  -0.787   0.714
  359    HA   PHE  47           HA       PHE  47 -11.104  -1.074   3.414
  360   1HB   PHE  47          1HB       PHE  47  -9.844  -0.715   1.092
  361   2HB   PHE  47          2HB       PHE  47 -10.212   0.947   1.390
  362    HD1  PHE  47           HD1      PHE  47  -7.925  -1.720   1.992
  363    HD2  PHE  47           HD2      PHE  47  -9.556   1.800   3.852
  364    HE1  PHE  47           HE1      PHE  47  -6.056  -1.713   3.615
  365    HE2  PHE  47           HE2      PHE  47  -7.663   1.828   5.467
  366    HZ   PHE  47           HZ       PHE  47  -5.918   0.060   5.355
  367    H    VAL  48           H        VAL  48 -13.367  -0.483   4.257
  368    HA   VAL  48           HA       VAL  48 -14.345   2.081   3.649
  369    HB   VAL  48           HB       VAL  48 -15.877   1.857   5.533
  370   1HG1  VAL  48          1HG1      VAL  48 -17.167   0.029   4.589
  371   2HG1  VAL  48          2HG1      VAL  48 -16.360   0.917   3.291
  372   3HG1  VAL  48          3HG1      VAL  48 -15.726  -0.658   3.816
  373   1HG2  VAL  48          1HG2      VAL  48 -14.566   0.586   7.173
  374   2HG2  VAL  48          2HG2      VAL  48 -16.078  -0.236   6.795
  375   3HG2  VAL  48          3HG2      VAL  48 -14.555  -0.833   6.098
  376    H    CYS  49           H        CYS  49 -13.502   3.883   4.042
  377    HA   CYS  49           HA       CYS  49 -11.234   4.352   5.609
  378   1HB   CYS  49          1HB       CYS  49 -11.800   6.787   5.228
  379   2HB   CYS  49          2HB       CYS  49 -11.768   5.789   3.785
  380    HA   PRO  50           HA       PRO  50 -12.582   4.503   9.688
  381   1HB   PRO  50          1HB       PRO  50 -11.172   6.560  10.917
  382   2HB   PRO  50          2HB       PRO  50 -10.504   4.966  10.459
  383   1HG   PRO  50          1HG       PRO  50 -10.369   7.562   8.903
  384   2HG   PRO  50          2HG       PRO  50  -9.049   6.392   9.230
  385   1HD   PRO  50          1HD       PRO  50 -10.362   6.381   6.871
  386   2HD   PRO  50          2HD       PRO  50  -9.926   4.835   7.661
  387    H    TRP  51           H        TRP  51 -12.977   7.598   8.002
  388    HA   TRP  51           HA       TRP  51 -14.882   8.760   9.791
  389   1HB   TRP  51          1HB       TRP  51 -13.826  10.046   7.992
  390   2HB   TRP  51          2HB       TRP  51 -14.577   9.011   6.776
  391    HD1  TRP  51           HD1      TRP  51 -15.534  11.626   9.443
  392    HE1  TRP  51           HE1      TRP  51 -17.841  12.620   8.887
  393    HE3  TRP  51           HE3      TRP  51 -16.678   8.814   5.323
  394    HZ2  TRP  51           HZ2      TRP  51 -19.961  12.162   6.992
  395    HZ3  TRP  51           HZ3      TRP  51 -18.858   9.100   4.174
  396    HH2  TRP  51           HH2      TRP  51 -20.509  10.755   5.009
  397    H    CYS  52           H        CYS  52 -15.260   6.609   6.907
  398    HA   CYS  52           HA       CYS  52 -18.117   6.370   7.131
  399   1HB   CYS  52          1HB       CYS  52 -15.902   4.925   5.663
  400   2HB   CYS  52          2HB       CYS  52 -17.499   4.231   5.730
  401    H    ALA  53           H        ALA  53 -15.375   4.461   8.450
  402    HA   ALA  53           HA       ALA  53 -16.977   2.402   9.608
  403   1HB   ALA  53          1HB       ALA  53 -14.480   2.337   9.402
  404   2HB   ALA  53          2HB       ALA  53 -14.374   3.555  10.698
  405   3HB   ALA  53          3HB       ALA  53 -15.061   1.959  11.038
  406    H    THR  54           H        THR  54 -16.087   5.644  10.808
  407    HA   THR  54           HA       THR  54 -17.265   5.308  13.415
  408    HB   THR  54           HB       THR  54 -16.551   7.859  11.899
  409    HG1  THR  54           HG1      THR  54 -14.728   6.595  12.012
  410   1HG2  THR  54          1HG2      THR  54 -16.771   7.321  14.891
  411   2HG2  THR  54          2HG2      THR  54 -17.884   8.321  13.929
  412   3HG2  THR  54          3HG2      THR  54 -16.201   8.827  14.139
  413    H    ASN  55           H        ASN  55 -18.422   6.742  10.341
  414    HA   ASN  55           HA       ASN  55 -20.874   7.757  11.618
  415   1HB   ASN  55          1HB       ASN  55 -19.841   7.871   8.751
  416   2HB   ASN  55          2HB       ASN  55 -21.407   8.506   9.250
  417   1HD2  ASN  55          1HD2      ASN  55 -17.905   8.769  10.006
  418   2HD2  ASN  55          2HD2      ASN  55 -18.032  10.414  10.605
  419    H    GLN  56           H        GLN  56 -19.932   5.003   9.852
  420    HA   GLN  56           HA       GLN  56 -20.900   3.022   9.369
  421   1HB   GLN  56          1HB       GLN  56 -22.359   3.463  11.455
  422   2HB   GLN  56          2HB       GLN  56 -23.611   3.965  10.311
  423   1HG   GLN  56          1HG       GLN  56 -23.436   1.676   9.234
  424   2HG   GLN  56          2HG       GLN  56 -22.249   1.238  10.467
  425   1HE2  GLN  56          1HE2      GLN  56 -25.598   2.625  10.196
  426   2HE2  GLN  56          2HE2      GLN  56 -26.207   1.723  11.585
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1  12.280  12.970  -8.509
    2   1HA   GLY   1          1HA       GLY   1  13.352  12.587  -6.381
    3   2HA   GLY   1          2HA       GLY   1  12.951  11.068  -7.218
    4    H    SER   2           H        SER   2  14.914  10.899  -5.312
    5    HA   SER   2           HA       SER   2  17.383  10.531  -6.907
    6   1HB   SER   2          1HB       SER   2  17.527  12.719  -5.758
    7   2HB   SER   2          2HB       SER   2  17.236  11.911  -4.199
    8    HG   SER   2           HG       SER   2  19.087  10.574  -4.796
    9    H    HIS   3           H        HIS   3  15.218   8.653  -5.787
   10    HA   HIS   3           HA       HIS   3  17.151   6.756  -4.845
   11   1HB   HIS   3          1HB       HIS   3  15.932   7.731  -2.747
   12   2HB   HIS   3          2HB       HIS   3  14.517   6.850  -3.331
   13    HD1  HIS   3           HD1      HIS   3  14.449   4.367  -2.105
   14    HD2  HIS   3           HD2      HIS   3  18.317   6.025  -2.773
   15    HE1  HIS   3           HE1      HIS   3  16.107   2.725  -1.255
   16    H    MET   4           H        MET   4  15.924   4.546  -4.836
   17    HA   MET   4           HA       MET   4  15.063   4.101  -7.532
   18   1HB   MET   4          1HB       MET   4  16.468   2.595  -6.205
   19   2HB   MET   4          2HB       MET   4  15.191   2.374  -5.021
   20   1HG   MET   4          1HG       MET   4  13.815   1.234  -6.730
   21   2HG   MET   4          2HG       MET   4  15.100   1.452  -7.922
   22   1HE   MET   4          1HE       MET   4  17.308   0.089  -7.971
   23   2HE   MET   4          2HE       MET   4  17.793   0.698  -6.368
   24   3HE   MET   4          3HE       MET   4  17.831  -1.044  -6.705
   25    H    ALA   5           H        ALA   5  12.993   2.980  -8.141
   26    HA   ALA   5           HA       ALA   5  10.673   3.609  -6.532
   27   1HB   ALA   5          1HB       ALA   5  10.956   2.473  -9.336
   28   2HB   ALA   5          2HB       ALA   5   9.421   2.743  -8.481
   29   3HB   ALA   5          3HB       ALA   5  10.454   4.130  -8.908
   30    H    GLU   6           H        GLU   6  10.908   2.160  -4.819
   31    HA   GLU   6           HA       GLU   6  12.436  -0.200  -5.272
   32   1HB   GLU   6          1HB       GLU   6  11.092   0.901  -2.781
   33   2HB   GLU   6          2HB       GLU   6  12.268  -0.431  -2.801
   34   1HG   GLU   6          1HG       GLU   6  14.012   0.988  -3.647
   35   2HG   GLU   6          2HG       GLU   6  12.917   2.303  -3.987
   36    HA   PRO   7           HA       PRO   7   9.095  -3.101  -5.716
   37   1HB   PRO   7          1HB       PRO   7  10.408  -5.460  -5.534
   38   2HB   PRO   7          2HB       PRO   7  10.827  -4.266  -6.793
   39   1HG   PRO   7          1HG       PRO   7  12.194  -4.662  -4.104
   40   2HG   PRO   7          2HG       PRO   7  12.953  -4.608  -5.730
   41   1HD   PRO   7          1HD       PRO   7  12.763  -2.396  -4.089
   42   2HD   PRO   7          2HD       PRO   7  12.696  -2.273  -5.874
   43    H    GLN   8           H        GLN   8   8.828  -1.879  -3.336
   44    HA   GLN   8           HA       GLN   8   7.778  -3.937  -1.598
   45   1HB   GLN   8          1HB       GLN   8  10.351  -3.624  -1.015
   46   2HB   GLN   8          2HB       GLN   8   9.810  -2.153  -0.231
   47   1HG   GLN   8          1HG       GLN   8   9.841  -3.830   1.429
   48   2HG   GLN   8          2HG       GLN   8   8.146  -3.567   1.064
   49   1HE2  GLN   8          1HE2      GLN   8   9.357  -5.539  -1.579
   50   2HE2  GLN   8          2HE2      GLN   8   8.908  -7.043  -0.761
   51    H    ARG   9           H        ARG   9   8.851  -0.537  -1.120
   52    HA   ARG   9           HA       ARG   9   6.510   0.590  -0.125
   53   1HB   ARG   9          1HB       ARG   9   8.827   1.533  -0.130
   54   2HB   ARG   9          2HB       ARG   9   8.672   1.816  -1.857
   55   1HG   ARG   9          1HG       ARG   9   6.425   3.027  -0.539
   56   2HG   ARG   9          2HG       ARG   9   7.892   3.490   0.329
   57   1HD   ARG   9          1HD       ARG   9   7.306   3.838  -2.621
   58   2HD   ARG   9          2HD       ARG   9   7.360   5.120  -1.394
   59    HE   ARG   9           HE       ARG   9   9.841   4.067  -1.149
   60   1HH1  ARG   9          1HH1      ARG   9   8.152   5.094  -4.070
   61   2HH1  ARG   9          2HH1      ARG   9   9.609   5.359  -4.985
   62   1HH2  ARG   9          1HH2      ARG   9  11.791   4.188  -2.435
   63   2HH2  ARG   9          2HH2      ARG   9  11.698   4.756  -4.047
   64    H    HIS  10           H        HIS  10   4.696  -0.016  -1.047
   65    HA   HIS  10           HA       HIS  10   4.226   0.625  -3.961
   66   1HB   HIS  10          1HB       HIS  10   3.284  -1.721  -2.268
   67   2HB   HIS  10          2HB       HIS  10   2.683  -1.340  -3.883
   68    HD1  HIS  10           HD1      HIS  10   4.459  -4.082  -3.050
   69    HD2  HIS  10           HD2      HIS  10   5.905  -0.583  -4.756
   70    HE1  HIS  10           HE1      HIS  10   6.348  -4.785  -4.515
   71    H    LYS  11           H        LYS  11   2.210   1.539  -4.556
   72    HA   LYS  11           HA       LYS  11   0.538   2.429  -2.260
   73   1HB   LYS  11          1HB       LYS  11   0.698   3.958  -4.843
   74   2HB   LYS  11          2HB       LYS  11   0.130   4.439  -3.241
   75   1HG   LYS  11          1HG       LYS  11   2.670   4.004  -2.561
   76   2HG   LYS  11          2HG       LYS  11   2.944   4.115  -4.292
   77   1HD   LYS  11          1HD       LYS  11   2.290   6.207  -2.279
   78   2HD   LYS  11          2HD       LYS  11   3.371   6.296  -3.643
   79   1HE   LYS  11          1HE       LYS  11   1.668   6.944  -5.129
   80   2HE   LYS  11          2HE       LYS  11   0.395   6.207  -4.154
   81   1HZ   LYS  11          1HZ       LYS  11   0.675   7.846  -2.473
   82   2HZ   LYS  11          2HZ       LYS  11   0.218   8.514  -3.852
   83   3HZ   LYS  11          3HZ       LYS  11   1.811   8.668  -3.372
   84    H    ILE  12           H        ILE  12  -0.739   0.614  -2.277
   85    HA   ILE  12           HA       ILE  12  -2.152  -0.129  -4.772
   86    HB   ILE  12           HB       ILE  12  -2.399  -1.373  -2.014
   87   1HG1  ILE  12          1HG1      ILE  12  -0.785  -2.408  -4.365
   88   2HG1  ILE  12          2HG1      ILE  12  -0.087  -1.573  -2.973
   89   1HG2  ILE  12          1HG2      ILE  12  -3.346  -2.261  -4.780
   90   2HG2  ILE  12          2HG2      ILE  12  -3.499  -3.225  -3.290
   91   3HG2  ILE  12          3HG2      ILE  12  -4.379  -1.718  -3.453
   92   1HD1  ILE  12          1HD1      ILE  12  -1.485  -4.254  -2.931
   93   2HD1  ILE  12          2HD1      ILE  12   0.189  -3.872  -2.510
   94   3HD1  ILE  12          3HD1      ILE  12  -1.118  -3.311  -1.462
   95    H    LEU  13           H        LEU  13  -3.629   1.413  -5.251
   96    HA   LEU  13           HA       LEU  13  -5.249   2.775  -3.321
   97   1HB   LEU  13          1HB       LEU  13  -4.473   3.711  -5.476
   98   2HB   LEU  13          2HB       LEU  13  -5.568   2.643  -6.345
   99    HG   LEU  13           HG       LEU  13  -6.781   4.306  -4.135
  100   1HD1  LEU  13          1HD1      LEU  13  -6.870   6.309  -5.591
  101   2HD1  LEU  13          2HD1      LEU  13  -5.783   5.498  -6.739
  102   3HD1  LEU  13          3HD1      LEU  13  -5.214   5.874  -5.097
  103   1HD2  LEU  13          1HD2      LEU  13  -8.241   2.890  -5.567
  104   2HD2  LEU  13          2HD2      LEU  13  -7.659   3.739  -7.010
  105   3HD2  LEU  13          3HD2      LEU  13  -8.613   4.597  -5.779
  106    H    CYS  14           H        CYS  14  -6.534   1.479  -2.152
  107    HA   CYS  14           HA       CYS  14  -8.547  -0.225  -3.535
  108   1HB   CYS  14          1HB       CYS  14  -7.373  -1.031  -1.419
  109   2HB   CYS  14          2HB       CYS  14  -8.193   0.268  -0.541
  110    HG   CYS  14           HG       CYS  14  -9.442  -2.265  -2.281
  111    H    VAL  15           H        VAL  15 -10.833   0.366  -2.075
  112    HA   VAL  15           HA       VAL  15 -11.160   3.265  -1.934
  113    HB   VAL  15           HB       VAL  15 -13.336   3.150  -3.142
  114   1HG1  VAL  15          1HG1      VAL  15 -10.932   2.527  -4.902
  115   2HG1  VAL  15          2HG1      VAL  15 -12.441   3.325  -5.392
  116   3HG1  VAL  15          3HG1      VAL  15 -11.368   4.121  -4.244
  117   1HG2  VAL  15          1HG2      VAL  15 -12.338   0.481  -4.233
  118   2HG2  VAL  15          2HG2      VAL  15 -13.690   0.691  -3.094
  119   3HG2  VAL  15          3HG2      VAL  15 -13.797   1.361  -4.725
  120    H    CYS  16           H        CYS  16 -13.008   3.868  -0.782
  121    HA   CYS  16           HA       CYS  16 -13.677   2.273   1.506
  122   1HB   CYS  16          1HB       CYS  16 -13.526   4.790   1.500
  123   2HB   CYS  16          2HB       CYS  16 -14.967   4.816   0.459
  124    H    CYS  17           H        CYS  17 -14.973   0.656   1.329
  125    HA   CYS  17           HA       CYS  17 -16.592  -0.125  -0.782
  126   1HB   CYS  17          1HB       CYS  17 -15.656  -1.420   1.293
  127   2HB   CYS  17          2HB       CYS  17 -17.182  -0.980   2.070
  128    HG   CYS  17           HG       CYS  17 -16.617  -2.665  -0.736
  129    H    LYS  18           H        LYS  18 -17.497   2.215   1.654
  130    HA   LYS  18           HA       LYS  18 -20.355   2.005   0.826
  131   1HB   LYS  18          1HB       LYS  18 -20.699   3.351   3.004
  132   2HB   LYS  18          2HB       LYS  18 -20.449   1.599   3.047
  133   1HG   LYS  18          1HG       LYS  18 -18.204   1.834   3.818
  134   2HG   LYS  18          2HG       LYS  18 -18.198   3.568   3.480
  135   1HD   LYS  18          1HD       LYS  18 -18.350   2.925   5.864
  136   2HD   LYS  18          2HD       LYS  18 -19.568   4.075   5.334
  137   1HE   LYS  18          1HE       LYS  18 -20.347   1.161   5.329
  138   2HE   LYS  18          2HE       LYS  18 -20.003   1.905   6.897
  139   1HZ   LYS  18          1HZ       LYS  18 -22.193   2.375   6.688
  140   2HZ   LYS  18          2HZ       LYS  18 -22.117   2.797   5.048
  141   3HZ   LYS  18          3HZ       LYS  18 -21.505   3.705   6.324
  142    H    CYS  19           H        CYS  19 -17.637   4.324   0.625
  143    HA   CYS  19           HA       CYS  19 -19.613   6.182  -0.540
  144   1HB   CYS  19          1HB       CYS  19 -18.419   7.922   0.349
  145   2HB   CYS  19          2HB       CYS  19 -18.704   6.834   1.689
  146    H    ASP  20           H        ASP  20 -17.123   4.102  -1.425
  147    HA   ASP  20           HA       ASP  20 -15.663   3.920  -3.025
  148   1HB   ASP  20          1HB       ASP  20 -17.764   4.228  -4.335
  149   2HB   ASP  20          2HB       ASP  20 -17.307   5.913  -4.588
  150    H    GLY  21           H        GLY  21 -15.132   5.954  -0.992
  151   1HA   GLY  21          1HA       GLY  21 -13.540   8.037  -2.412
  152   2HA   GLY  21          2HA       GLY  21 -13.623   7.859  -0.655
  153    H    ARG  22           H        ARG  22 -11.288   8.097  -2.325
  154    HA   ARG  22           HA       ARG  22 -10.358   5.406  -2.841
  155   1HB   ARG  22          1HB       ARG  22  -8.574   6.306  -3.972
  156   2HB   ARG  22          2HB       ARG  22  -9.942   7.363  -4.292
  157   1HG   ARG  22          1HG       ARG  22  -8.323   8.937  -4.005
  158   2HG   ARG  22          2HG       ARG  22  -8.875   8.823  -2.324
  159   1HD   ARG  22          1HD       ARG  22  -6.995   7.254  -1.845
  160   2HD   ARG  22          2HD       ARG  22  -6.534   7.283  -3.537
  161    HE   ARG  22           HE       ARG  22  -6.446   9.686  -1.767
  162   1HH1  ARG  22          1HH1      ARG  22  -4.786   7.785  -4.327
  163   2HH1  ARG  22          2HH1      ARG  22  -3.201   8.197  -3.641
  164   1HH2  ARG  22          1HH2      ARG  22  -4.188  10.333  -1.187
  165   2HH2  ARG  22          2HH2      ARG  22  -2.915   9.519  -2.095
  166    H    ILE  23           H        ILE  23  -8.807   4.178  -1.880
  167    HA   ILE  23           HA       ILE  23  -7.813   5.168   0.717
  168    HB   ILE  23           HB       ILE  23  -8.682   2.354  -0.022
  169   1HG1  ILE  23          1HG1      ILE  23 -10.577   3.877   0.278
  170   2HG1  ILE  23          2HG1      ILE  23 -10.511   2.555   1.437
  171   1HG2  ILE  23          1HG2      ILE  23  -6.821   2.277   1.517
  172   2HG2  ILE  23          2HG2      ILE  23  -7.588   3.444   2.600
  173   3HG2  ILE  23          3HG2      ILE  23  -8.299   1.824   2.374
  174   1HD1  ILE  23          1HD1      ILE  23 -11.269   4.650   2.427
  175   2HD1  ILE  23          2HD1      ILE  23  -9.774   4.101   3.198
  176   3HD1  ILE  23          3HD1      ILE  23  -9.735   5.441   2.020
  177    H    GLU  24           H        GLU  24  -5.918   5.759   0.095
  178    HA   GLU  24           HA       GLU  24  -4.248   4.270  -1.815
  179   1HB   GLU  24          1HB       GLU  24  -4.255   6.796  -1.512
  180   2HB   GLU  24          2HB       GLU  24  -3.319   6.567  -0.041
  181   1HG   GLU  24          1HG       GLU  24  -1.707   5.155  -1.490
  182   2HG   GLU  24          2HG       GLU  24  -2.588   5.747  -2.889
  183    H    LEU  25           H        LEU  25  -3.839   2.168  -0.952
  184    HA   LEU  25           HA       LEU  25  -2.731   1.969   1.750
  185   1HB   LEU  25          1HB       LEU  25  -2.715  -0.194  -0.336
  186   2HB   LEU  25          2HB       LEU  25  -2.561  -0.373   1.388
  187    HG   LEU  25           HG       LEU  25  -5.102   0.574  -0.036
  188   1HD1  LEU  25          1HD1      LEU  25  -4.332  -2.199   0.952
  189   2HD1  LEU  25          2HD1      LEU  25  -4.514  -1.684  -0.737
  190   3HD1  LEU  25          3HD1      LEU  25  -5.926  -1.711   0.318
  191   1HD2  LEU  25          1HD2      LEU  25  -4.901   1.230   2.387
  192   2HD2  LEU  25          2HD2      LEU  25  -4.624  -0.469   2.811
  193   3HD2  LEU  25          3HD2      LEU  25  -6.181   0.038   2.128
  194    H    THR  26           H        THR  26  -1.119   3.656   1.173
  195    HA   THR  26           HA       THR  26   1.230   2.740  -0.345
  196    HB   THR  26           HB       THR  26   0.817   5.210   1.345
  197    HG1  THR  26           HG1      THR  26   0.343   6.009  -0.705
  198   1HG2  THR  26          1HG2      THR  26   3.241   4.294  -0.279
  199   2HG2  THR  26          2HG2      THR  26   3.204   4.564   1.472
  200   3HG2  THR  26          3HG2      THR  26   2.995   5.935   0.370
  201    H    VAL  27           H        VAL  27   1.959   0.886   0.373
  202    HA   VAL  27           HA       VAL  27   2.765   0.585   3.202
  203    HB   VAL  27           HB       VAL  27   1.785  -1.664   3.254
  204   1HG1  VAL  27          1HG1      VAL  27  -0.389   0.341   2.555
  205   2HG1  VAL  27          2HG1      VAL  27  -0.543  -1.110   3.562
  206   3HG1  VAL  27          3HG1      VAL  27   0.453   0.249   4.113
  207   1HG2  VAL  27          1HG2      VAL  27   0.505  -1.047   0.554
  208   2HG2  VAL  27          2HG2      VAL  27   1.745  -2.272   0.875
  209   3HG2  VAL  27          3HG2      VAL  27   0.137  -2.444   1.582
  210    H    GLU  28           H        GLU  28   4.443  -1.034   3.437
  211    HA   GLU  28           HA       GLU  28   5.945  -1.449   0.949
  212   1HB   GLU  28          1HB       GLU  28   6.707  -1.410   3.846
  213   2HB   GLU  28          2HB       GLU  28   7.806  -1.938   2.586
  214   1HG   GLU  28          1HG       GLU  28   8.196   0.392   3.159
  215   2HG   GLU  28          2HG       GLU  28   7.738   0.213   1.515
  216    H    SER  29           H        SER  29   5.319  -3.374  -0.071
  217    HA   SER  29           HA       SER  29   5.904  -5.802   1.421
  218   1HB   SER  29          1HB       SER  29   3.370  -5.300   1.822
  219   2HB   SER  29          2HB       SER  29   3.177  -5.741   0.111
  220    HG   SER  29           HG       SER  29   2.876  -7.590   1.292
  221    H    SER  30           H        SER  30   6.036  -7.643  -0.024
  222    HA   SER  30           HA       SER  30   7.338  -6.882  -2.468
  223   1HB   SER  30          1HB       SER  30   6.540  -9.662  -1.505
  224   2HB   SER  30          2HB       SER  30   7.721  -9.285  -2.779
  225    HG   SER  30           HG       SER  30   8.688  -9.652  -0.747
  226    H    ALA  31           H        ALA  31   6.922  -7.979  -4.611
  227    HA   ALA  31           HA       ALA  31   4.450  -6.984  -5.627
  228   1HB   ALA  31          1HB       ALA  31   6.497  -8.867  -6.878
  229   2HB   ALA  31          2HB       ALA  31   5.222  -7.983  -7.744
  230   3HB   ALA  31          3HB       ALA  31   6.531  -7.088  -6.946
  231    H    GLU  32           H        GLU  32   5.584 -10.206  -4.742
  232    HA   GLU  32           HA       GLU  32   3.487 -11.805  -5.692
  233   1HB   GLU  32          1HB       GLU  32   5.025 -12.234  -3.088
  234   2HB   GLU  32          2HB       GLU  32   4.241 -13.449  -4.091
  235   1HG   GLU  32          1HG       GLU  32   6.415 -13.770  -4.757
  236   2HG   GLU  32          2HG       GLU  32   5.950 -12.563  -5.951
  237    H    ASP  33           H        ASP  33   3.829 -10.194  -2.507
  238    HA   ASP  33           HA       ASP  33   1.313 -11.109  -1.473
  239   1HB   ASP  33          1HB       ASP  33   3.107 -10.542   0.042
  240   2HB   ASP  33          2HB       ASP  33   3.217  -8.909  -0.631
  241    H    LEU  34           H        LEU  34   2.515  -8.018  -2.844
  242    HA   LEU  34           HA       LEU  34   0.124  -6.548  -2.880
  243   1HB   LEU  34          1HB       LEU  34   2.184  -5.547  -3.535
  244   2HB   LEU  34          2HB       LEU  34   2.392  -6.631  -4.899
  245    HG   LEU  34           HG       LEU  34  -0.105  -4.928  -4.870
  246   1HD1  LEU  34          1HD1      LEU  34   1.708  -3.367  -4.225
  247   2HD1  LEU  34          2HD1      LEU  34   1.121  -3.026  -5.859
  248   3HD1  LEU  34          3HD1      LEU  34   2.664  -3.876  -5.629
  249   1HD2  LEU  34          1HD2      LEU  34   1.818  -5.795  -7.086
  250   2HD2  LEU  34          2HD2      LEU  34   0.386  -4.771  -7.318
  251   3HD2  LEU  34          3HD2      LEU  34   0.189  -6.434  -6.802
  252    H    ARG  35           H        ARG  35   1.223  -8.974  -5.294
  253    HA   ARG  35           HA       ARG  35  -1.058  -8.724  -7.005
  254   1HB   ARG  35          1HB       ARG  35   1.132  -9.792  -7.627
  255   2HB   ARG  35          2HB       ARG  35   0.737 -11.158  -6.589
  256   1HG   ARG  35          1HG       ARG  35  -1.291 -11.625  -7.930
  257   2HG   ARG  35          2HG       ARG  35  -0.897 -10.262  -9.001
  258   1HD   ARG  35          1HD       ARG  35   1.179 -11.382  -9.681
  259   2HD   ARG  35          2HD       ARG  35   0.888 -12.682  -8.501
  260    HE   ARG  35           HE       ARG  35  -1.355 -12.429 -10.234
  261   1HH1  ARG  35          1HH1      ARG  35   1.963 -13.631 -10.276
  262   2HH1  ARG  35          2HH1      ARG  35   1.689 -14.842 -11.481
  263   1HH2  ARG  35          1HH2      ARG  35  -1.760 -14.033 -11.844
  264   2HH2  ARG  35          2HH2      ARG  35  -0.488 -15.060 -12.394
  265    H    THR  36           H        THR  36  -0.227 -11.063  -4.456
  266    HA   THR  36           HA       THR  36  -2.540 -12.675  -4.645
  267    HB   THR  36           HB       THR  36  -0.875 -12.077  -2.167
  268    HG1  THR  36           HG1      THR  36   0.503 -12.751  -3.751
  269   1HG2  THR  36          1HG2      THR  36  -1.469 -14.398  -1.517
  270   2HG2  THR  36          2HG2      THR  36  -2.547 -14.519  -2.924
  271   3HG2  THR  36          3HG2      THR  36  -2.907 -13.369  -1.616
  272    H    LEU  37           H        LEU  37  -1.908  -9.895  -2.401
  273    HA   LEU  37           HA       LEU  37  -4.579  -9.948  -1.375
  274   1HB   LEU  37          1HB       LEU  37  -4.039  -8.163  -0.066
  275   2HB   LEU  37          2HB       LEU  37  -2.504  -8.963  -0.299
  276    HG   LEU  37           HG       LEU  37  -2.197  -7.144  -2.235
  277   1HD1  LEU  37          1HD1      LEU  37  -4.194  -5.804  -0.340
  278   2HD1  LEU  37          2HD1      LEU  37  -4.448  -6.097  -2.071
  279   3HD1  LEU  37          3HD1      LEU  37  -3.216  -4.957  -1.542
  280   1HD2  LEU  37          1HD2      LEU  37  -1.970  -6.495   0.734
  281   2HD2  LEU  37          2HD2      LEU  37  -1.089  -5.685  -0.580
  282   3HD2  LEU  37          3HD2      LEU  37  -0.779  -7.387  -0.229
  283    H    GLN  38           H        GLN  38  -3.124  -8.406  -4.264
  284    HA   GLN  38           HA       GLN  38  -5.271  -6.740  -4.958
  285   1HB   GLN  38          1HB       GLN  38  -2.985  -7.616  -6.357
  286   2HB   GLN  38          2HB       GLN  38  -4.279  -8.362  -7.234
  287   1HG   GLN  38          1HG       GLN  38  -3.984  -6.353  -8.266
  288   2HG   GLN  38          2HG       GLN  38  -5.451  -6.168  -7.317
  289   1HE2  GLN  38          1HE2      GLN  38  -2.417  -6.005  -5.373
  290   2HE2  GLN  38          2HE2      GLN  38  -2.487  -4.252  -5.267
  291    H    GLN  39           H        GLN  39  -4.739 -10.242  -5.571
  292    HA   GLN  39           HA       GLN  39  -7.090 -10.680  -7.030
  293   1HB   GLN  39          1HB       GLN  39  -5.916 -12.792  -5.265
  294   2HB   GLN  39          2HB       GLN  39  -6.885 -12.954  -6.738
  295   1HG   GLN  39          1HG       GLN  39  -4.013 -12.197  -6.431
  296   2HG   GLN  39          2HG       GLN  39  -4.710 -13.551  -7.303
  297   1HE2  GLN  39          1HE2      GLN  39  -3.462 -10.424  -7.590
  298   2HE2  GLN  39          2HE2      GLN  39  -3.908 -10.145  -9.281
  299    H    LEU  40           H        LEU  40  -6.429 -10.979  -3.498
  300    HA   LEU  40           HA       LEU  40  -9.038 -11.837  -2.699
  301   1HB   LEU  40          1HB       LEU  40  -7.048 -10.124  -1.160
  302   2HB   LEU  40          2HB       LEU  40  -8.464 -10.902  -0.471
  303    HG   LEU  40           HG       LEU  40  -6.118 -12.384  -1.733
  304   1HD1  LEU  40          1HD1      LEU  40  -5.547 -13.004   0.571
  305   2HD1  LEU  40          2HD1      LEU  40  -6.894 -12.023   1.192
  306   3HD1  LEU  40          3HD1      LEU  40  -5.520 -11.248   0.375
  307   1HD2  LEU  40          1HD2      LEU  40  -7.145 -14.393  -0.672
  308   2HD2  LEU  40          2HD2      LEU  40  -8.155 -13.717  -1.947
  309   3HD2  LEU  40          3HD2      LEU  40  -8.569 -13.421  -0.241
  310    H    PHE  41           H        PHE  41  -7.772  -8.489  -3.014
  311    HA   PHE  41           HA       PHE  41 -10.308  -7.313  -2.225
  312   1HB   PHE  41          1HB       PHE  41  -7.704  -6.232  -3.306
  313   2HB   PHE  41          2HB       PHE  41  -9.140  -5.222  -3.251
  314    HD1  PHE  41           HD1      PHE  41  -6.738  -7.107  -1.051
  315    HD2  PHE  41           HD2      PHE  41 -10.051  -4.362  -1.200
  316    HE1  PHE  41           HE1      PHE  41  -6.469  -6.691   1.337
  317    HE2  PHE  41           HE2      PHE  41  -9.743  -3.924   1.229
  318    HZ   PHE  41           HZ       PHE  41  -8.010  -5.131   2.507
  319    H    LEU  42           H        LEU  42  -8.979  -8.320  -5.375
  320    HA   LEU  42           HA       LEU  42 -11.177  -7.207  -6.902
  321   1HB   LEU  42          1HB       LEU  42  -9.036  -9.266  -7.363
  322   2HB   LEU  42          2HB       LEU  42 -10.493  -9.430  -8.311
  323    HG   LEU  42           HG       LEU  42  -8.878  -8.244  -9.565
  324   1HD1  LEU  42          1HD1      LEU  42 -10.987  -6.207  -8.785
  325   2HD1  LEU  42          2HD1      LEU  42 -11.282  -7.621  -9.819
  326   3HD1  LEU  42          3HD1      LEU  42 -10.141  -6.368 -10.327
  327   1HD2  LEU  42          1HD2      LEU  42  -8.780  -6.152  -7.367
  328   2HD2  LEU  42          2HD2      LEU  42  -8.057  -5.981  -8.981
  329   3HD2  LEU  42          3HD2      LEU  42  -7.477  -7.243  -7.893
  330    H    SER  43           H        SER  43 -10.622 -10.328  -5.262
  331    HA   SER  43           HA       SER  43 -12.906 -11.650  -6.225
  332   1HB   SER  43          1HB       SER  43 -10.838 -12.628  -5.147
  333   2HB   SER  43          2HB       SER  43 -11.471 -12.139  -3.575
  334    HG   SER  43           HG       SER  43 -12.005 -14.300  -4.112
  335    H    THR  44           H        THR  44 -12.419 -10.059  -3.049
  336    HA   THR  44           HA       THR  44 -15.213  -9.373  -2.854
  337    HB   THR  44           HB       THR  44 -14.122 -11.610  -1.090
  338    HG1  THR  44           HG1      THR  44 -15.373 -11.676  -3.376
  339   1HG2  THR  44          1HG2      THR  44 -16.824 -10.220  -0.873
  340   2HG2  THR  44          2HG2      THR  44 -15.552 -10.277   0.372
  341   3HG2  THR  44          3HG2      THR  44 -16.401 -11.757  -0.085
  342    H    LEU  45           H        LEU  45 -11.942  -9.246  -1.444
  343    HA   LEU  45           HA       LEU  45 -12.845  -8.007   0.981
  344   1HB   LEU  45          1HB       LEU  45 -10.417  -9.072  -0.023
  345   2HB   LEU  45          2HB       LEU  45 -10.057  -7.397   0.311
  346    HG   LEU  45           HG       LEU  45 -11.301  -9.385   2.267
  347   1HD1  LEU  45          1HD1      LEU  45  -8.970  -9.945   1.714
  348   2HD1  LEU  45          2HD1      LEU  45  -9.104  -9.372   3.380
  349   3HD1  LEU  45          3HD1      LEU  45  -8.461  -8.294   2.125
  350   1HD2  LEU  45          1HD2      LEU  45 -10.339  -6.525   2.722
  351   2HD2  LEU  45          2HD2      LEU  45 -10.709  -7.680   4.015
  352   3HD2  LEU  45          3HD2      LEU  45 -11.992  -7.155   2.936
  353    H    SER  46           H        SER  46 -12.321  -5.715   1.689
  354    HA   SER  46           HA       SER  46 -11.848  -3.625  -0.191
  355   1HB   SER  46          1HB       SER  46 -14.718  -4.169   0.688
  356   2HB   SER  46          2HB       SER  46 -14.149  -2.593   0.096
  357    HG   SER  46           HG       SER  46 -13.547  -4.852  -1.449
  358    H    PHE  47           H        PHE  47 -12.378  -1.453   1.009
  359    HA   PHE  47           HA       PHE  47 -11.763  -1.772   3.876
  360   1HB   PHE  47          1HB       PHE  47 -10.202  -0.434   1.658
  361   2HB   PHE  47          2HB       PHE  47 -10.222   0.334   3.216
  362    HD1  PHE  47           HD1      PHE  47  -9.986  -1.618   5.259
  363    HD2  PHE  47           HD2      PHE  47  -8.164  -1.643   1.342
  364    HE1  PHE  47           HE1      PHE  47  -8.112  -2.956   6.140
  365    HE2  PHE  47           HE2      PHE  47  -6.276  -2.964   2.258
  366    HZ   PHE  47           HZ       PHE  47  -6.238  -3.616   4.644
  367    H    VAL  48           H        VAL  48 -11.720   0.737   4.727
  368    HA   VAL  48           HA       VAL  48 -13.936   2.243   3.696
  369    HB   VAL  48           HB       VAL  48 -15.132   0.650   5.035
  370   1HG1  VAL  48          1HG1      VAL  48 -13.365   1.358   7.403
  371   2HG1  VAL  48          2HG1      VAL  48 -14.807   0.316   7.429
  372   3HG1  VAL  48          3HG1      VAL  48 -13.381  -0.192   6.522
  373   1HG2  VAL  48          1HG2      VAL  48 -16.258   2.066   6.669
  374   2HG2  VAL  48          2HG2      VAL  48 -14.939   3.245   6.598
  375   3HG2  VAL  48          3HG2      VAL  48 -15.952   2.940   5.164
  376    H    CYS  49           H        CYS  49 -13.623   4.448   4.181
  377    HA   CYS  49           HA       CYS  49 -10.989   5.169   5.201
  378   1HB   CYS  49          1HB       CYS  49 -11.860   7.517   4.835
  379   2HB   CYS  49          2HB       CYS  49 -11.811   6.507   3.410
  380    HA   PRO  50           HA       PRO  50 -12.065   5.599   9.415
  381   1HB   PRO  50          1HB       PRO  50 -10.710   7.844  10.304
  382   2HB   PRO  50          2HB       PRO  50  -9.963   6.255   9.960
  383   1HG   PRO  50          1HG       PRO  50 -10.121   8.676   8.142
  384   2HG   PRO  50          2HG       PRO  50  -8.698   7.640   8.488
  385   1HD   PRO  50          1HD       PRO  50 -10.168   7.286   6.247
  386   2HD   PRO  50          2HD       PRO  50  -9.553   5.872   7.153
  387    H    TRP  51           H        TRP  51 -12.655   8.479   7.429
  388    HA   TRP  51           HA       TRP  51 -14.536   9.798   9.119
  389   1HB   TRP  51          1HB       TRP  51 -13.659  10.884   7.133
  390   2HB   TRP  51          2HB       TRP  51 -14.305   9.615   6.093
  391    HD1  TRP  51           HD1      TRP  51 -15.646  12.328   8.513
  392    HE1  TRP  51           HE1      TRP  51 -17.981  13.067   7.745
  393    HE3  TRP  51           HE3      TRP  51 -16.203   9.239   4.461
  394    HZ2  TRP  51           HZ2      TRP  51 -19.863  12.387   5.671
  395    HZ3  TRP  51           HZ3      TRP  51 -18.277   9.306   3.116
  396    HH2  TRP  51           HH2      TRP  51 -20.116  10.865   3.715
  397    H    CYS  52           H        CYS  52 -15.081   7.386   6.461
  398    HA   CYS  52           HA       CYS  52 -17.846   7.004   7.038
  399   1HB   CYS  52          1HB       CYS  52 -15.746   5.368   5.609
  400   2HB   CYS  52          2HB       CYS  52 -17.348   4.739   5.929
  401    H    ALA  53           H        ALA  53 -14.909   5.305   8.306
  402    HA   ALA  53           HA       ALA  53 -16.340   3.352   9.792
  403   1HB   ALA  53          1HB       ALA  53 -14.320   3.095  11.111
  404   2HB   ALA  53          2HB       ALA  53 -13.867   3.340   9.412
  405   3HB   ALA  53          3HB       ALA  53 -13.713   4.672  10.588
  406    H    THR  54           H        THR  54 -15.609   6.744  10.564
  407    HA   THR  54           HA       THR  54 -16.672   6.638  13.258
  408    HB   THR  54           HB       THR  54 -16.152   9.055  11.471
  409    HG1  THR  54           HG1      THR  54 -14.252   7.868  11.585
  410   1HG2  THR  54          1HG2      THR  54 -16.183   8.752  14.503
  411   2HG2  THR  54          2HG2      THR  54 -17.378   9.635  13.527
  412   3HG2  THR  54          3HG2      THR  54 -15.708  10.214  13.614
  413    H    ASN  55           H        ASN  55 -18.044   7.330  10.051
  414    HA   ASN  55           HA       ASN  55 -20.565   8.375  11.231
  415   1HB   ASN  55          1HB       ASN  55 -19.529   8.255   8.370
  416   2HB   ASN  55          2HB       ASN  55 -21.163   8.765   8.795
  417   1HD2  ASN  55          1HD2      ASN  55 -17.720   9.502   9.544
  418   2HD2  ASN  55          2HD2      ASN  55 -18.059  11.147  10.050
  419    H    GLN  56           H        GLN  56 -19.339   5.506  10.255
  420    HA   GLN  56           HA       GLN  56 -19.954   3.477   9.765
  421   1HB   GLN  56          1HB       GLN  56 -21.714   2.329  10.872
  422   2HB   GLN  56          2HB       GLN  56 -20.729   3.318  11.964
  423   1HG   GLN  56          1HG       GLN  56 -22.357   4.994  12.109
  424   2HG   GLN  56          2HG       GLN  56 -23.285   4.327  10.741
  425   1HE2  GLN  56          1HE2      GLN  56 -24.896   2.806  11.168
  426   2HE2  GLN  56          2HE2      GLN  56 -25.200   2.164  12.785
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  12.161   3.306  13.109
    2   1HA   GLY   1          1HA       GLY   1  11.802   4.441  11.030
    3   2HA   GLY   1          2HA       GLY   1  12.165   5.589  12.341
    4    H    SER   2           H        SER   2  12.656   6.719  10.021
    5    HA   SER   2           HA       SER   2  14.114   7.679   8.655
    6   1HB   SER   2          1HB       SER   2  15.061   8.370  10.840
    7   2HB   SER   2          2HB       SER   2  16.192   7.001  10.760
    8    HG   SER   2           HG       SER   2  16.775   7.885   8.652
    9    H    HIS   3           H        HIS   3  13.892   4.570   8.470
   10    HA   HIS   3           HA       HIS   3  16.348   3.969   6.932
   11   1HB   HIS   3          1HB       HIS   3  15.573   2.204   8.421
   12   2HB   HIS   3          2HB       HIS   3  13.928   2.324   7.788
   13    HD1  HIS   3           HD1      HIS   3  17.440   1.405   6.315
   14    HD2  HIS   3           HD2      HIS   3  13.306   0.669   5.896
   15    HE1  HIS   3           HE1      HIS   3  17.181  -0.315   4.456
   16    H    MET   4           H        MET   4  16.133   3.345   4.670
   17    HA   MET   4           HA       MET   4  13.611   3.556   3.340
   18   1HB   MET   4          1HB       MET   4  14.620   5.926   3.305
   19   2HB   MET   4          2HB       MET   4  15.945   5.256   2.342
   20   1HG   MET   4          1HG       MET   4  14.271   4.535   0.629
   21   2HG   MET   4          2HG       MET   4  12.984   5.219   1.636
   22   1HE   MET   4          1HE       MET   4  12.934   7.728  -1.301
   23   2HE   MET   4          2HE       MET   4  13.187   5.969  -1.391
   24   3HE   MET   4          3HE       MET   4  11.994   6.642  -0.251
   25    H    ALA   5           H        ALA   5  13.768   2.348   1.452
   26    HA   ALA   5           HA       ALA   5  14.992   1.012  -0.236
   27   1HB   ALA   5          1HB       ALA   5  17.158   0.876   0.962
   28   2HB   ALA   5          2HB       ALA   5  16.380  -0.155   2.200
   29   3HB   ALA   5          3HB       ALA   5  16.546  -0.734   0.534
   30    H    GLU   6           H        GLU   6  12.516   1.129   1.206
   31    HA   GLU   6           HA       GLU   6  12.182  -1.290   2.677
   32   1HB   GLU   6          1HB       GLU   6   9.866   0.526   2.084
   33   2HB   GLU   6          2HB       GLU   6  10.286  -0.329   3.558
   34   1HG   GLU   6          1HG       GLU   6  10.852   1.809   4.213
   35   2HG   GLU   6          2HG       GLU   6  12.381   1.365   3.541
   36    HA   PRO   7           HA       PRO   7  11.015  -3.969  -0.375
   37   1HB   PRO   7          1HB       PRO   7   9.468  -5.886   0.846
   38   2HB   PRO   7          2HB       PRO   7  11.206  -5.627   1.184
   39   1HG   PRO   7          1HG       PRO   7   8.829  -4.568   2.744
   40   2HG   PRO   7          2HG       PRO   7  10.302  -5.376   3.374
   41   1HD   PRO   7          1HD       PRO   7  10.051  -2.668   3.350
   42   2HD   PRO   7          2HD       PRO   7  11.624  -3.453   3.014
   43    H    GLN   8           H        GLN   8   9.894  -3.091  -2.011
   44    HA   GLN   8           HA       GLN   8   8.280  -2.121  -3.215
   45   1HB   GLN   8          1HB       GLN   8   7.055  -4.725  -2.343
   46   2HB   GLN   8          2HB       GLN   8   6.439  -3.729  -3.672
   47   1HG   GLN   8          1HG       GLN   8   8.915  -5.404  -3.521
   48   2HG   GLN   8          2HG       GLN   8   7.701  -5.179  -4.779
   49   1HE2  GLN   8          1HE2      GLN   8   7.703  -2.718  -5.752
   50   2HE2  GLN   8          2HE2      GLN   8   9.348  -2.277  -6.208
   51    H    ARG   9           H        ARG   9   8.362  -0.837  -1.466
   52    HA   ARG   9           HA       ARG   9   5.952   0.057   0.007
   53   1HB   ARG   9          1HB       ARG   9   8.177   0.630   0.766
   54   2HB   ARG   9          2HB       ARG   9   8.469   1.500  -0.728
   55   1HG   ARG   9          1HG       ARG   9   6.051   2.425   0.557
   56   2HG   ARG   9          2HG       ARG   9   7.414   2.535   1.674
   57   1HD   ARG   9          1HD       ARG   9   7.177   3.793  -1.086
   58   2HD   ARG   9          2HD       ARG   9   7.153   4.634   0.463
   59    HE   ARG   9           HE       ARG   9   9.466   3.883   0.869
   60   1HH1  ARG   9          1HH1      ARG   9   8.382   3.560  -2.495
   61   2HH1  ARG   9          2HH1      ARG   9   9.981   3.558  -3.167
   62   1HH2  ARG   9          1HH2      ARG   9  11.519   3.536   0.049
   63   2HH2  ARG   9          2HH2      ARG   9  11.842   3.562  -1.661
   64    H    HIS  10           H        HIS  10   4.381  -0.084  -1.373
   65    HA   HIS  10           HA       HIS  10   4.394   1.483  -3.938
   66   1HB   HIS  10          1HB       HIS  10   2.750  -0.907  -3.030
   67   2HB   HIS  10          2HB       HIS  10   2.455  -0.007  -4.514
   68    HD1  HIS  10           HD1      HIS  10   2.916  -2.838  -5.133
   69    HD2  HIS  10           HD2      HIS  10   6.095  -0.131  -4.578
   70    HE1  HIS  10           HE1      HIS  10   4.918  -3.780  -6.406
   71    H    LYS  11           H        LYS  11   2.060   2.170  -4.553
   72    HA   LYS  11           HA       LYS  11   0.513   3.202  -2.243
   73   1HB   LYS  11          1HB       LYS  11   1.340   4.765  -4.706
   74   2HB   LYS  11          2HB       LYS  11   0.073   5.247  -3.600
   75   1HG   LYS  11          1HG       LYS  11   1.536   6.254  -2.245
   76   2HG   LYS  11          2HG       LYS  11   2.294   4.718  -1.916
   77   1HD   LYS  11          1HD       LYS  11   3.995   6.241  -2.654
   78   2HD   LYS  11          2HD       LYS  11   3.778   5.002  -3.887
   79   1HE   LYS  11          1HE       LYS  11   4.057   7.190  -4.929
   80   2HE   LYS  11          2HE       LYS  11   2.433   6.569  -5.257
   81   1HZ   LYS  11          1HZ       LYS  11   1.523   8.022  -3.647
   82   2HZ   LYS  11          2HZ       LYS  11   2.474   8.923  -4.609
   83   3HZ   LYS  11          3HZ       LYS  11   3.004   8.502  -3.098
   84    H    ILE  12           H        ILE  12  -1.052   1.655  -2.430
   85    HA   ILE  12           HA       ILE  12  -2.102   0.971  -5.116
   86    HB   ILE  12           HB       ILE  12  -2.682  -0.386  -2.459
   87   1HG1  ILE  12          1HG1      ILE  12  -0.638  -1.219  -4.564
   88   2HG1  ILE  12          2HG1      ILE  12  -0.240  -0.497  -3.000
   89   1HG2  ILE  12          1HG2      ILE  12  -3.106  -1.257  -5.354
   90   2HG2  ILE  12          2HG2      ILE  12  -3.530  -2.198  -3.903
   91   3HG2  ILE  12          3HG2      ILE  12  -4.377  -0.699  -4.249
   92   1HD1  ILE  12          1HD1      ILE  12  -1.514  -3.192  -3.455
   93   2HD1  ILE  12          2HD1      ILE  12   0.054  -2.809  -2.716
   94   3HD1  ILE  12          3HD1      ILE  12  -1.442  -2.398  -1.861
   95    H    LEU  13           H        LEU  13  -3.541   2.519  -5.677
   96    HA   LEU  13           HA       LEU  13  -5.294   3.877  -3.877
   97   1HB   LEU  13          1HB       LEU  13  -4.441   4.779  -6.011
   98   2HB   LEU  13          2HB       LEU  13  -5.443   3.638  -6.908
   99    HG   LEU  13           HG       LEU  13  -6.797   5.371  -4.822
  100   1HD1  LEU  13          1HD1      LEU  13  -5.771   6.367  -7.492
  101   2HD1  LEU  13          2HD1      LEU  13  -5.324   6.938  -5.864
  102   3HD1  LEU  13          3HD1      LEU  13  -6.971   7.211  -6.490
  103   1HD2  LEU  13          1HD2      LEU  13  -8.182   3.777  -6.133
  104   2HD2  LEU  13          2HD2      LEU  13  -7.622   4.521  -7.643
  105   3HD2  LEU  13          3HD2      LEU  13  -8.620   5.443  -6.493
  106    H    CYS  14           H        CYS  14  -6.812   2.824  -2.806
  107    HA   CYS  14           HA       CYS  14  -8.708   1.211  -4.443
  108   1HB   CYS  14          1HB       CYS  14  -9.404  -0.002  -2.586
  109   2HB   CYS  14          2HB       CYS  14  -7.628   0.047  -2.454
  110    HG   CYS  14           HG       CYS  14 -10.019   1.547  -0.755
  111    H    VAL  15           H        VAL  15 -10.989   1.473  -2.894
  112    HA   VAL  15           HA       VAL  15 -11.258   4.313  -2.275
  113    HB   VAL  15           HB       VAL  15 -13.585   4.328  -3.081
  114   1HG1  VAL  15          1HG1      VAL  15 -13.120   4.637  -5.444
  115   2HG1  VAL  15          2HG1      VAL  15 -11.797   5.285  -4.469
  116   3HG1  VAL  15          3HG1      VAL  15 -11.598   3.729  -5.306
  117   1HG2  VAL  15          1HG2      VAL  15 -14.430   2.664  -4.652
  118   2HG2  VAL  15          2HG2      VAL  15 -12.951   1.697  -4.487
  119   3HG2  VAL  15          3HG2      VAL  15 -14.059   1.894  -3.107
  120    H    CYS  16           H        CYS  16 -13.014   4.689  -0.789
  121    HA   CYS  16           HA       CYS  16 -13.494   2.711   1.306
  122   1HB   CYS  16          1HB       CYS  16 -13.565   5.204   1.693
  123   2HB   CYS  16          2HB       CYS  16 -14.941   5.298   0.579
  124    H    CYS  17           H        CYS  17 -14.888   1.091   1.045
  125    HA   CYS  17           HA       CYS  17 -16.243   0.518  -1.315
  126   1HB   CYS  17          1HB       CYS  17 -15.448  -1.012   0.621
  127   2HB   CYS  17          2HB       CYS  17 -17.011  -0.666   1.379
  128    HG   CYS  17           HG       CYS  17 -18.346  -1.252  -0.896
  129    H    LYS  18           H        LYS  18 -17.457   2.755   1.002
  130    HA   LYS  18           HA       LYS  18 -20.239   2.341   0.078
  131   1HB   LYS  18          1HB       LYS  18 -20.882   2.676   2.368
  132   2HB   LYS  18          2HB       LYS  18 -19.850   1.255   2.204
  133   1HG   LYS  18          1HG       LYS  18 -17.949   2.508   3.187
  134   2HG   LYS  18          2HG       LYS  18 -18.913   3.994   3.185
  135   1HD   LYS  18          1HD       LYS  18 -19.111   3.217   5.400
  136   2HD   LYS  18          2HD       LYS  18 -20.608   2.768   4.599
  137   1HE   LYS  18          1HE       LYS  18 -19.532   0.441   4.208
  138   2HE   LYS  18          2HE       LYS  18 -18.196   0.998   5.229
  139   1HZ   LYS  18          1HZ       LYS  18 -20.943   0.375   6.006
  140   2HZ   LYS  18          2HZ       LYS  18 -20.096   1.489   6.874
  141   3HZ   LYS  18          3HZ       LYS  18 -19.516  -0.018   6.763
  142    H    CYS  19           H        CYS  19 -17.746   4.799   0.386
  143    HA   CYS  19           HA       CYS  19 -19.795   6.759  -0.276
  144   1HB   CYS  19          1HB       CYS  19 -18.548   8.379   0.832
  145   2HB   CYS  19          2HB       CYS  19 -18.897   7.150   2.034
  146    H    ASP  20           H        ASP  20 -17.539   4.751  -1.472
  147    HA   ASP  20           HA       ASP  20 -15.884   4.638  -2.866
  148   1HB   ASP  20          1HB       ASP  20 -17.953   6.405  -4.158
  149   2HB   ASP  20          2HB       ASP  20 -16.618   5.557  -4.941
  150    H    GLY  21           H        GLY  21 -15.245   6.533  -0.877
  151   1HA   GLY  21          1HA       GLY  21 -13.947   8.816  -2.172
  152   2HA   GLY  21          2HA       GLY  21 -13.798   8.392  -0.464
  153    H    ARG  22           H        ARG  22 -11.831   9.055  -2.465
  154    HA   ARG  22           HA       ARG  22 -10.397   6.769  -3.474
  155   1HB   ARG  22          1HB       ARG  22 -10.523   8.963  -4.541
  156   2HB   ARG  22          2HB       ARG  22  -9.720   9.735  -3.180
  157   1HG   ARG  22          1HG       ARG  22  -8.218   7.532  -4.555
  158   2HG   ARG  22          2HG       ARG  22  -8.525   9.004  -5.490
  159   1HD   ARG  22          1HD       ARG  22  -7.562  10.334  -3.523
  160   2HD   ARG  22          2HD       ARG  22  -7.000   8.779  -2.879
  161    HE   ARG  22           HE       ARG  22  -6.281   9.171  -5.651
  162   1HH1  ARG  22          1HH1      ARG  22  -5.185  10.156  -2.360
  163   2HH1  ARG  22          2HH1      ARG  22  -3.497   9.878  -2.849
  164   1HH2  ARG  22          1HH2      ARG  22  -3.945   9.153  -6.139
  165   2HH2  ARG  22          2HH2      ARG  22  -2.894   9.405  -4.737
  166    H    ILE  23           H        ILE  23  -8.964   5.339  -2.242
  167    HA   ILE  23           HA       ILE  23  -7.547   6.723  -0.019
  168    HB   ILE  23           HB       ILE  23  -8.495   3.858  -0.092
  169   1HG1  ILE  23          1HG1      ILE  23  -9.599   6.079   1.675
  170   2HG1  ILE  23          2HG1      ILE  23 -10.402   5.452   0.237
  171   1HG2  ILE  23          1HG2      ILE  23  -7.635   3.758   2.203
  172   2HG2  ILE  23          2HG2      ILE  23  -6.358   4.306   1.130
  173   3HG2  ILE  23          3HG2      ILE  23  -7.205   5.488   2.138
  174   1HD1  ILE  23          1HD1      ILE  23  -9.835   3.884   2.768
  175   2HD1  ILE  23          2HD1      ILE  23 -11.398   4.363   2.093
  176   3HD1  ILE  23          3HD1      ILE  23 -10.418   3.160   1.248
  177    H    GLU  24           H        GLU  24  -5.518   7.011  -0.765
  178    HA   GLU  24           HA       GLU  24  -4.215   5.108  -2.584
  179   1HB   GLU  24          1HB       GLU  24  -3.985   7.453  -2.910
  180   2HB   GLU  24          2HB       GLU  24  -3.337   7.710  -1.280
  181   1HG   GLU  24          1HG       GLU  24  -1.353   6.325  -1.917
  182   2HG   GLU  24          2HG       GLU  24  -2.058   6.098  -3.526
  183    H    LEU  25           H        LEU  25  -4.057   3.154  -1.415
  184    HA   LEU  25           HA       LEU  25  -3.194   3.062   1.302
  185   1HB   LEU  25          1HB       LEU  25  -3.084   0.793  -0.699
  186   2HB   LEU  25          2HB       LEU  25  -3.072   0.663   1.039
  187    HG   LEU  25           HG       LEU  25  -5.428   1.728  -0.590
  188   1HD1  LEU  25          1HD1      LEU  25  -5.009  -0.622  -1.129
  189   2HD1  LEU  25          2HD1      LEU  25  -6.451  -0.481  -0.117
  190   3HD1  LEU  25          3HD1      LEU  25  -4.926  -1.043   0.598
  191   1HD2  LEU  25          1HD2      LEU  25  -5.295   2.463   1.840
  192   2HD2  LEU  25          2HD2      LEU  25  -5.243   0.761   2.316
  193   3HD2  LEU  25          3HD2      LEU  25  -6.682   1.421   1.499
  194    H    THR  26           H        THR  26  -1.237   4.215   1.437
  195    HA   THR  26           HA       THR  26   1.106   3.426  -0.133
  196    HB   THR  26           HB       THR  26   0.892   5.155   2.358
  197    HG1  THR  26           HG1      THR  26  -0.252   5.853   0.439
  198   1HG2  THR  26          1HG2      THR  26   3.087   6.052   1.555
  199   2HG2  THR  26          2HG2      THR  26   3.128   4.793   0.299
  200   3HG2  THR  26          3HG2      THR  26   3.195   4.344   2.015
  201    H    VAL  27           H        VAL  27   1.730   1.306   0.163
  202    HA   VAL  27           HA       VAL  27   2.169   0.295   2.894
  203    HB   VAL  27           HB       VAL  27   0.977  -1.804   2.429
  204   1HG1  VAL  27          1HG1      VAL  27  -0.918   0.561   2.193
  205   2HG1  VAL  27          2HG1      VAL  27  -1.289  -1.056   2.827
  206   3HG1  VAL  27          3HG1      VAL  27  -0.156  -0.003   3.694
  207   1HG2  VAL  27          1HG2      VAL  27   0.947  -1.843  -0.027
  208   2HG2  VAL  27          2HG2      VAL  27  -0.683  -2.009   0.623
  209   3HG2  VAL  27          3HG2      VAL  27  -0.161  -0.456  -0.060
  210    H    GLU  28           H        GLU  28   3.592  -1.497   2.936
  211    HA   GLU  28           HA       GLU  28   5.292  -1.720   0.545
  212   1HB   GLU  28          1HB       GLU  28   6.192  -2.347   3.291
  213   2HB   GLU  28          2HB       GLU  28   7.133  -1.860   1.904
  214   1HG   GLU  28          1HG       GLU  28   7.284   0.056   3.066
  215   2HG   GLU  28          2HG       GLU  28   5.775   0.445   2.257
  216    H    SER  29           H        SER  29   4.897  -3.566  -0.546
  217    HA   SER  29           HA       SER  29   4.179  -6.022   0.912
  218   1HB   SER  29          1HB       SER  29   2.502  -4.379  -0.986
  219   2HB   SER  29          2HB       SER  29   2.142  -6.016  -0.395
  220    HG   SER  29           HG       SER  29   2.709  -4.483   1.690
  221    H    SER  30           H        SER  30   5.064  -7.512  -0.061
  222    HA   SER  30           HA       SER  30   6.950  -7.038  -2.306
  223   1HB   SER  30          1HB       SER  30   6.461  -9.462  -0.519
  224   2HB   SER  30          2HB       SER  30   7.722  -9.368  -1.760
  225    HG   SER  30           HG       SER  30   7.449  -7.462   0.326
  226    H    ALA  31           H        ALA  31   7.025  -8.470  -4.225
  227    HA   ALA  31           HA       ALA  31   4.702  -8.245  -5.599
  228   1HB   ALA  31          1HB       ALA  31   5.721  -9.640  -7.348
  229   2HB   ALA  31          2HB       ALA  31   6.904  -8.521  -6.643
  230   3HB   ALA  31          3HB       ALA  31   6.921 -10.245  -6.187
  231    H    GLU  32           H        GLU  32   5.676 -11.250  -3.912
  232    HA   GLU  32           HA       GLU  32   3.583 -12.911  -4.937
  233   1HB   GLU  32          1HB       GLU  32   5.318 -13.063  -2.437
  234   2HB   GLU  32          2HB       GLU  32   4.230 -14.356  -2.971
  235   1HG   GLU  32          1HG       GLU  32   5.467 -14.624  -5.058
  236   2HG   GLU  32          2HG       GLU  32   6.495 -13.236  -4.687
  237    H    ASP  33           H        ASP  33   3.985 -11.277  -1.784
  238    HA   ASP  33           HA       ASP  33   1.426 -11.758  -0.648
  239   1HB   ASP  33          1HB       ASP  33   3.159 -11.114   0.790
  240   2HB   ASP  33          2HB       ASP  33   3.726  -9.837  -0.279
  241    H    LEU  34           H        LEU  34   2.639  -9.221  -2.785
  242    HA   LEU  34           HA       LEU  34   0.337  -7.532  -2.771
  243   1HB   LEU  34          1HB       LEU  34   2.570  -6.803  -3.544
  244   2HB   LEU  34          2HB       LEU  34   2.488  -7.954  -4.876
  245    HG   LEU  34           HG       LEU  34   0.486  -6.712  -5.788
  246   1HD1  LEU  34          1HD1      LEU  34   1.216  -4.725  -3.589
  247   2HD1  LEU  34          2HD1      LEU  34  -0.318  -5.605  -3.754
  248   3HD1  LEU  34          3HD1      LEU  34   0.121  -4.389  -4.954
  249   1HD2  LEU  34          1HD2      LEU  34   2.719  -6.330  -6.681
  250   2HD2  LEU  34          2HD2      LEU  34   3.076  -5.165  -5.391
  251   3HD2  LEU  34          3HD2      LEU  34   1.835  -4.798  -6.624
  252    H    ARG  35           H        ARG  35   1.366 -10.305  -4.802
  253    HA   ARG  35           HA       ARG  35  -0.916 -10.290  -6.544
  254   1HB   ARG  35          1HB       ARG  35   1.457 -11.901  -6.123
  255   2HB   ARG  35          2HB       ARG  35   0.126 -12.975  -5.881
  256   1HG   ARG  35          1HG       ARG  35   0.700 -13.138  -8.171
  257   2HG   ARG  35          2HG       ARG  35  -0.775 -12.150  -8.167
  258   1HD   ARG  35          1HD       ARG  35   0.600 -10.095  -8.332
  259   2HD   ARG  35          2HD       ARG  35   2.080 -11.069  -8.221
  260    HE   ARG  35           HE       ARG  35   0.441 -11.968 -10.383
  261   1HH1  ARG  35          1HH1      ARG  35   2.664  -9.382  -9.504
  262   2HH1  ARG  35          2HH1      ARG  35   3.172  -9.025 -11.121
  263   1HH2  ARG  35          1HH2      ARG  35   1.090 -11.532 -12.564
  264   2HH2  ARG  35          2HH2      ARG  35   2.242 -10.295 -12.901
  265    H    THR  36           H        THR  36  -0.290 -11.930  -3.354
  266    HA   THR  36           HA       THR  36  -2.823 -13.201  -3.229
  267    HB   THR  36           HB       THR  36  -1.273 -12.113  -0.843
  268    HG1  THR  36           HG1      THR  36  -0.826 -14.396  -2.452
  269   1HG2  THR  36          1HG2      THR  36  -3.063 -14.563  -1.193
  270   2HG2  THR  36          2HG2      THR  36  -3.483 -13.081  -0.307
  271   3HG2  THR  36          3HG2      THR  36  -2.176 -14.120   0.283
  272    H    LEU  37           H        LEU  37  -1.838  -9.973  -1.855
  273    HA   LEU  37           HA       LEU  37  -4.516  -9.500  -0.952
  274   1HB   LEU  37          1HB       LEU  37  -3.809  -7.487  -0.092
  275   2HB   LEU  37          2HB       LEU  37  -2.413  -8.534  -0.011
  276    HG   LEU  37           HG       LEU  37  -1.810  -7.333  -2.339
  277   1HD1  LEU  37          1HD1      LEU  37  -3.847  -5.928  -2.474
  278   2HD1  LEU  37          2HD1      LEU  37  -2.412  -4.934  -2.262
  279   3HD1  LEU  37          3HD1      LEU  37  -3.479  -5.236  -0.880
  280   1HD2  LEU  37          1HD2      LEU  37  -1.402  -6.051   0.395
  281   2HD2  LEU  37          2HD2      LEU  37  -0.444  -5.712  -1.061
  282   3HD2  LEU  37          3HD2      LEU  37  -0.393  -7.319  -0.324
  283    H    GLN  38           H        GLN  38  -2.968  -8.811  -4.082
  284    HA   GLN  38           HA       GLN  38  -4.927  -7.167  -5.276
  285   1HB   GLN  38          1HB       GLN  38  -2.748  -7.638  -6.285
  286   2HB   GLN  38          2HB       GLN  38  -3.020  -9.355  -6.211
  287   1HG   GLN  38          1HG       GLN  38  -3.186  -8.789  -8.461
  288   2HG   GLN  38          2HG       GLN  38  -4.813  -9.187  -7.942
  289   1HE2  GLN  38          1HE2      GLN  38  -2.617  -6.320  -7.831
  290   2HE2  GLN  38          2HE2      GLN  38  -3.799  -5.191  -8.489
  291    H    GLN  39           H        GLN  39  -4.549 -10.731  -4.987
  292    HA   GLN  39           HA       GLN  39  -6.888 -11.318  -6.457
  293   1HB   GLN  39          1HB       GLN  39  -5.050 -12.907  -4.758
  294   2HB   GLN  39          2HB       GLN  39  -6.499 -13.633  -5.517
  295   1HG   GLN  39          1HG       GLN  39  -5.897 -12.831  -7.701
  296   2HG   GLN  39          2HG       GLN  39  -4.631 -11.786  -7.078
  297   1HE2  GLN  39          1HE2      GLN  39  -3.283 -12.596  -8.628
  298   2HE2  GLN  39          2HE2      GLN  39  -2.555 -14.160  -8.302
  299    H    LEU  40           H        LEU  40  -6.253 -10.944  -2.956
  300    HA   LEU  40           HA       LEU  40  -8.880 -11.629  -2.025
  301   1HB   LEU  40          1HB       LEU  40  -6.831  -9.693  -0.872
  302   2HB   LEU  40          2HB       LEU  40  -8.325 -10.147  -0.070
  303    HG   LEU  40           HG       LEU  40  -6.087 -12.086  -0.778
  304   1HD1  LEU  40          1HD1      LEU  40  -6.962 -10.946   1.910
  305   2HD1  LEU  40          2HD1      LEU  40  -5.493 -10.489   1.019
  306   3HD1  LEU  40          3HD1      LEU  40  -5.670 -12.136   1.636
  307   1HD2  LEU  40          1HD2      LEU  40  -8.195 -13.296  -0.782
  308   2HD2  LEU  40          2HD2      LEU  40  -8.696 -12.519   0.740
  309   3HD2  LEU  40          3HD2      LEU  40  -7.335 -13.663   0.711
  310    H    PHE  41           H        PHE  41  -7.510  -8.383  -2.977
  311    HA   PHE  41           HA       PHE  41 -10.020  -7.031  -2.653
  312   1HB   PHE  41          1HB       PHE  41  -7.416  -6.405  -4.015
  313   2HB   PHE  41          2HB       PHE  41  -8.827  -5.486  -4.473
  314    HD1  PHE  41           HD1      PHE  41 -10.194  -4.224  -2.671
  315    HD2  PHE  41           HD2      PHE  41  -6.207  -5.748  -1.980
  316    HE1  PHE  41           HE1      PHE  41  -9.836  -2.541  -0.911
  317    HE2  PHE  41           HE2      PHE  41  -5.876  -4.066  -0.222
  318    HZ   PHE  41           HZ       PHE  41  -7.662  -2.432   0.292
  319    H    LEU  42           H        LEU  42  -8.629  -8.814  -5.412
  320    HA   LEU  42           HA       LEU  42 -10.677  -8.101  -7.287
  321   1HB   LEU  42          1HB       LEU  42  -8.447  -8.949  -7.823
  322   2HB   LEU  42          2HB       LEU  42  -8.819 -10.514  -7.114
  323    HG   LEU  42           HG       LEU  42 -10.560  -9.495  -9.365
  324   1HD1  LEU  42          1HD1      LEU  42  -8.261  -9.077 -10.140
  325   2HD1  LEU  42          2HD1      LEU  42  -8.971 -10.439 -11.015
  326   3HD1  LEU  42          3HD1      LEU  42  -7.793 -10.738  -9.715
  327   1HD2  LEU  42          1HD2      LEU  42 -11.146 -11.678  -8.307
  328   2HD2  LEU  42          2HD2      LEU  42  -9.504 -12.275  -8.614
  329   3HD2  LEU  42          3HD2      LEU  42 -10.601 -11.914  -9.964
  330    H    SER  43           H        SER  43 -10.371 -10.735  -4.918
  331    HA   SER  43           HA       SER  43 -12.714 -12.180  -5.655
  332   1HB   SER  43          1HB       SER  43 -10.921 -13.241  -4.423
  333   2HB   SER  43          2HB       SER  43 -10.997 -12.042  -3.140
  334    HG   SER  43           HG       SER  43 -12.879 -14.063  -3.724
  335    H    THR  44           H        THR  44 -12.137 -10.234  -2.703
  336    HA   THR  44           HA       THR  44 -14.960  -9.650  -2.434
  337    HB   THR  44           HB       THR  44 -14.666 -10.864  -0.062
  338    HG1  THR  44           HG1      THR  44 -12.960 -12.473  -1.684
  339   1HG2  THR  44          1HG2      THR  44 -15.612 -12.899  -0.904
  340   2HG2  THR  44          2HG2      THR  44 -15.085 -12.526  -2.560
  341   3HG2  THR  44          3HG2      THR  44 -16.312 -11.508  -1.769
  342    H    LEU  45           H        LEU  45 -11.711  -9.299  -1.217
  343    HA   LEU  45           HA       LEU  45 -12.322  -7.790   1.132
  344   1HB   LEU  45          1HB       LEU  45 -10.166  -8.907   0.754
  345   2HB   LEU  45          2HB       LEU  45  -9.830  -7.828  -0.599
  346    HG   LEU  45           HG       LEU  45  -9.716  -5.886   0.921
  347   1HD1  LEU  45          1HD1      LEU  45 -10.107  -7.982   3.112
  348   2HD1  LEU  45          2HD1      LEU  45 -11.164  -6.594   2.766
  349   3HD1  LEU  45          3HD1      LEU  45  -9.540  -6.323   3.389
  350   1HD2  LEU  45          1HD2      LEU  45  -7.551  -6.519   1.919
  351   2HD2  LEU  45          2HD2      LEU  45  -7.704  -7.180   0.289
  352   3HD2  LEU  45          3HD2      LEU  45  -7.931  -8.238   1.700
  353    H    SER  46           H        SER  46 -12.896  -5.699   1.411
  354    HA   SER  46           HA       SER  46 -12.155  -3.689  -0.579
  355   1HB   SER  46          1HB       SER  46 -14.947  -3.952   0.626
  356   2HB   SER  46          2HB       SER  46 -14.333  -2.569  -0.305
  357    HG   SER  46           HG       SER  46 -15.562  -4.073  -1.551
  358    H    PHE  47           H        PHE  47 -12.436  -1.450   0.577
  359    HA   PHE  47           HA       PHE  47 -11.582  -1.692   3.395
  360   1HB   PHE  47          1HB       PHE  47 -10.236  -0.548   0.966
  361   2HB   PHE  47          2HB       PHE  47 -10.205   0.438   2.403
  362    HD1  PHE  47           HD1      PHE  47  -9.815  -3.369   2.051
  363    HD2  PHE  47           HD2      PHE  47  -8.022   0.412   3.128
  364    HE1  PHE  47           HE1      PHE  47  -7.873  -4.538   2.981
  365    HE2  PHE  47           HE2      PHE  47  -6.060  -0.790   4.039
  366    HZ   PHE  47           HZ       PHE  47  -5.981  -3.273   3.969
  367    H    VAL  48           H        VAL  48 -11.709   0.590   4.381
  368    HA   VAL  48           HA       VAL  48 -13.992   2.107   3.478
  369    HB   VAL  48           HB       VAL  48 -13.798   0.850   6.254
  370   1HG1  VAL  48          1HG1      VAL  48 -14.888   3.067   6.273
  371   2HG1  VAL  48          2HG1      VAL  48 -16.028   2.525   5.020
  372   3HG1  VAL  48          3HG1      VAL  48 -16.039   1.785   6.639
  373   1HG2  VAL  48          1HG2      VAL  48 -15.722   0.210   3.969
  374   2HG2  VAL  48          2HG2      VAL  48 -14.512  -0.883   4.677
  375   3HG2  VAL  48          3HG2      VAL  48 -15.891  -0.376   5.643
  376    H    CYS  49           H        CYS  49 -13.653   4.305   3.939
  377    HA   CYS  49           HA       CYS  49 -11.015   5.068   4.886
  378   1HB   CYS  49          1HB       CYS  49 -11.839   7.365   4.552
  379   2HB   CYS  49          2HB       CYS  49 -12.123   6.361   3.146
  380    HA   PRO  50           HA       PRO  50 -11.791   5.107   9.127
  381   1HB   PRO  50          1HB       PRO  50 -10.549   7.375  10.149
  382   2HB   PRO  50          2HB       PRO  50  -9.722   5.877   9.625
  383   1HG   PRO  50          1HG       PRO  50 -10.153   8.427   8.048
  384   2HG   PRO  50          2HG       PRO  50  -8.653   7.455   8.203
  385   1HD   PRO  50          1HD       PRO  50 -10.246   7.212   6.036
  386   2HD   PRO  50          2HD       PRO  50  -9.503   5.759   6.768
  387    H    TRP  51           H        TRP  51 -12.776   8.152   7.555
  388    HA   TRP  51           HA       TRP  51 -14.568   9.049   9.588
  389   1HB   TRP  51          1HB       TRP  51 -13.969  10.506   7.742
  390   2HB   TRP  51          2HB       TRP  51 -14.661   9.382   6.569
  391    HD1  TRP  51           HD1      TRP  51 -15.837  11.541   9.564
  392    HE1  TRP  51           HE1      TRP  51 -18.303  12.155   9.264
  393    HE3  TRP  51           HE3      TRP  51 -16.757   9.107   5.146
  394    HZ2  TRP  51           HZ2      TRP  51 -20.418  11.645   7.369
  395    HZ3  TRP  51           HZ3      TRP  51 -19.015   9.177   4.133
  396    HH2  TRP  51           HH2      TRP  51 -20.852  10.430   5.237
  397    H    CYS  52           H        CYS  52 -15.261   7.111   6.599
  398    HA   CYS  52           HA       CYS  52 -17.915   6.445   7.296
  399   1HB   CYS  52          1HB       CYS  52 -15.855   5.122   5.509
  400   2HB   CYS  52          2HB       CYS  52 -17.412   4.383   5.821
  401    H    ALA  53           H        ALA  53 -14.841   4.735   8.073
  402    HA   ALA  53           HA       ALA  53 -16.037   2.502   9.360
  403   1HB   ALA  53          1HB       ALA  53 -13.630   2.686   8.709
  404   2HB   ALA  53          2HB       ALA  53 -13.390   3.835  10.050
  405   3HB   ALA  53          3HB       ALA  53 -13.859   2.161  10.391
  406    H    THR  54           H        THR  54 -15.316   5.760  10.625
  407    HA   THR  54           HA       THR  54 -16.061   5.093  13.359
  408    HB   THR  54           HB       THR  54 -15.663   7.815  12.042
  409    HG1  THR  54           HG1      THR  54 -13.802   6.692  11.719
  410   1HG2  THR  54          1HG2      THR  54 -15.414   6.931  14.950
  411   2HG2  THR  54          2HG2      THR  54 -16.644   8.031  14.286
  412   3HG2  THR  54          3HG2      THR  54 -14.946   8.524  14.317
  413    H    ASN  55           H        ASN  55 -17.788   6.226  10.498
  414    HA   ASN  55           HA       ASN  55 -20.088   7.165  12.161
  415   1HB   ASN  55          1HB       ASN  55 -19.319   7.678   9.261
  416   2HB   ASN  55          2HB       ASN  55 -20.873   8.144   9.956
  417   1HD2  ASN  55          1HD2      ASN  55 -17.356   8.481  10.529
  418   2HD2  ASN  55          2HD2      ASN  55 -17.514   9.941  11.500
  419    H    GLN  56           H        GLN  56 -19.179   4.521  10.320
  420    HA   GLN  56           HA       GLN  56 -21.912   3.599   9.812
  421   1HB   GLN  56          1HB       GLN  56 -21.248   1.706   8.813
  422   2HB   GLN  56          2HB       GLN  56 -20.269   3.048   8.203
  423   1HG   GLN  56          1HG       GLN  56 -18.440   2.131   8.894
  424   2HG   GLN  56          2HG       GLN  56 -19.035   1.972  10.563
  425   1HE2  GLN  56          1HE2      GLN  56 -20.677   0.131  10.832
  426   2HE2  GLN  56          2HE2      GLN  56 -20.224  -1.449  10.139
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  14.122  15.999 -11.689
    2   1HA   GLY   1          1HA       GLY   1  14.035  15.427  -9.334
    3   2HA   GLY   1          2HA       GLY   1  12.608  16.340  -9.885
    4    H    SER   2           H        SER   2  12.084  15.000  -7.643
    5    HA   SER   2           HA       SER   2  10.907  13.384  -6.617
    6   1HB   SER   2          1HB       SER   2   9.162  14.365  -8.039
    7   2HB   SER   2          2HB       SER   2   9.528  13.187  -9.319
    8    HG   SER   2           HG       SER   2   9.081  11.553  -7.777
    9    H    HIS   3           H        HIS   3  13.424  12.463  -7.535
   10    HA   HIS   3           HA       HIS   3  13.235   9.911  -8.846
   11   1HB   HIS   3          1HB       HIS   3  15.509  11.019  -7.160
   12   2HB   HIS   3          2HB       HIS   3  15.601   9.740  -8.365
   13    HD1  HIS   3           HD1      HIS   3  17.310  12.492  -8.406
   14    HD2  HIS   3           HD2      HIS   3  13.861  11.562 -10.636
   15    HE1  HIS   3           HE1      HIS   3  17.321  14.037 -10.442
   16    H    MET   4           H        MET   4  11.463   9.060  -7.448
   17    HA   MET   4           HA       MET   4  12.612   7.535  -5.169
   18   1HB   MET   4          1HB       MET   4  11.386   9.424  -4.201
   19   2HB   MET   4          2HB       MET   4   9.964   9.044  -5.178
   20   1HG   MET   4          1HG       MET   4   9.713   8.200  -2.872
   21   2HG   MET   4          2HG       MET   4   9.679   6.898  -4.047
   22   1HE   MET   4          1HE       MET   4  13.219   7.707  -1.155
   23   2HE   MET   4          2HE       MET   4  12.954   8.751  -2.568
   24   3HE   MET   4          3HE       MET   4  11.751   8.706  -1.251
   25    H    ALA   5           H        ALA   5  12.522   5.465  -5.760
   26    HA   ALA   5           HA       ALA   5   9.929   4.321  -6.004
   27   1HB   ALA   5          1HB       ALA   5  10.482   4.442  -8.425
   28   2HB   ALA   5          2HB       ALA   5  12.058   3.677  -8.111
   29   3HB   ALA   5          3HB       ALA   5  10.557   2.764  -7.846
   30    H    GLU   6           H        GLU   6  10.031   2.396  -4.746
   31    HA   GLU   6           HA       GLU   6  12.722   1.397  -3.985
   32   1HB   GLU   6          1HB       GLU   6  10.312   1.836  -2.190
   33   2HB   GLU   6          2HB       GLU   6  11.772   0.984  -1.699
   34   1HG   GLU   6          1HG       GLU   6  13.101   3.037  -2.035
   35   2HG   GLU   6          2HG       GLU   6  11.630   3.901  -2.482
   36    HA   PRO   7           HA       PRO   7  10.424  -2.572  -4.436
   37   1HB   PRO   7          1HB       PRO   7  11.999  -4.235  -3.018
   38   2HB   PRO   7          2HB       PRO   7  12.549  -3.575  -4.583
   39   1HG   PRO   7          1HG       PRO   7  13.249  -2.593  -1.802
   40   2HG   PRO   7          2HG       PRO   7  14.353  -2.890  -3.184
   41   1HD   PRO   7          1HD       PRO   7  13.299  -0.413  -2.515
   42   2HD   PRO   7          2HD       PRO   7  13.773  -0.833  -4.180
   43    H    GLN   8           H        GLN   8   9.308  -4.016  -2.688
   44    HA   GLN   8           HA       GLN   8   7.739  -4.144  -1.329
   45   1HB   GLN   8          1HB       GLN   8   9.898  -3.012   0.416
   46   2HB   GLN   8          2HB       GLN   8   8.314  -3.510   1.042
   47   1HG   GLN   8          1HG       GLN   8   9.883  -5.318   1.355
   48   2HG   GLN   8          2HG       GLN   8   8.667  -5.795   0.171
   49   1HE2  GLN   8          1HE2      GLN   8   9.552  -6.866  -1.649
   50   2HE2  GLN   8          2HE2      GLN   8  11.143  -6.453  -2.286
   51    H    ARG   9           H        ARG   9   8.914  -0.714  -0.682
   52    HA   ARG   9           HA       ARG   9   6.337   0.175  -0.002
   53   1HB   ARG   9          1HB       ARG   9   8.399   1.510   0.380
   54   2HB   ARG   9          2HB       ARG   9   8.364   1.957  -1.314
   55   1HG   ARG   9          1HG       ARG   9   6.249   2.806  -1.080
   56   2HG   ARG   9          2HG       ARG   9   6.242   2.410   0.617
   57   1HD   ARG   9          1HD       ARG   9   8.480   4.102  -0.334
   58   2HD   ARG   9          2HD       ARG   9   6.870   4.815  -0.496
   59    HE   ARG   9           HE       ARG   9   6.729   5.152   1.725
   60   1HH1  ARG   9          1HH1      ARG   9   9.636   3.084   1.403
   61   2HH1  ARG   9          2HH1      ARG   9   9.249   2.195   2.885
   62   1HH2  ARG   9          1HH2      ARG   9   6.601   4.360   3.873
   63   2HH2  ARG   9          2HH2      ARG   9   7.565   2.999   4.320
   64    H    HIS  10           H        HIS  10   4.665   0.099  -1.041
   65    HA   HIS  10           HA       HIS  10   4.560   0.780  -3.966
   66   1HB   HIS  10          1HB       HIS  10   3.371  -1.780  -2.844
   67   2HB   HIS  10          2HB       HIS  10   3.171  -1.185  -4.484
   68    HD1  HIS  10           HD1      HIS  10   6.703  -0.657  -4.255
   69    HD2  HIS  10           HD2      HIS  10   4.240  -4.047  -4.018
   70    HE1  HIS  10           HE1      HIS  10   8.161  -2.672  -4.865
   71    H    LYS  11           H        LYS  11   2.196   0.985  -4.691
   72    HA   LYS  11           HA       LYS  11   0.460   1.956  -2.485
   73   1HB   LYS  11          1HB       LYS  11   1.295   3.607  -4.887
   74   2HB   LYS  11          2HB       LYS  11  -0.136   3.928  -3.915
   75   1HG   LYS  11          1HG       LYS  11   1.089   5.147  -2.507
   76   2HG   LYS  11          2HG       LYS  11   1.862   3.679  -1.975
   77   1HD   LYS  11          1HD       LYS  11   3.611   5.180  -2.508
   78   2HD   LYS  11          2HD       LYS  11   3.590   3.963  -3.781
   79   1HE   LYS  11          1HE       LYS  11   3.931   6.137  -4.780
   80   2HE   LYS  11          2HE       LYS  11   2.330   5.551  -5.254
   81   1HZ   LYS  11          1HZ       LYS  11   2.765   7.447  -3.028
   82   2HZ   LYS  11          2HZ       LYS  11   1.317   7.017  -3.682
   83   3HZ   LYS  11          3HZ       LYS  11   2.360   7.897  -4.564
   84    H    ILE  12           H        ILE  12  -1.354   0.864  -2.640
   85    HA   ILE  12           HA       ILE  12  -2.291  -0.035  -5.328
   86    HB   ILE  12           HB       ILE  12  -2.763  -1.299  -2.616
   87   1HG1  ILE  12          1HG1      ILE  12  -1.109  -2.557  -4.818
   88   2HG1  ILE  12          2HG1      ILE  12  -0.344  -1.471  -3.660
   89   1HG2  ILE  12          1HG2      ILE  12  -4.616  -1.668  -4.190
   90   2HG2  ILE  12          2HG2      ILE  12  -3.468  -2.195  -5.433
   91   3HG2  ILE  12          3HG2      ILE  12  -3.718  -3.168  -3.964
   92   1HD1  ILE  12          1HD1      ILE  12  -1.194  -2.810  -1.776
   93   2HD1  ILE  12          2HD1      ILE  12  -1.825  -4.012  -2.939
   94   3HD1  ILE  12          3HD1      ILE  12  -0.085  -3.697  -2.817
   95    H    LEU  13           H        LEU  13  -3.618   1.502  -5.916
   96    HA   LEU  13           HA       LEU  13  -5.324   3.069  -4.244
   97   1HB   LEU  13          1HB       LEU  13  -4.195   3.651  -6.530
   98   2HB   LEU  13          2HB       LEU  13  -5.538   2.799  -7.259
   99    HG   LEU  13           HG       LEU  13  -7.036   4.436  -5.733
  100   1HD1  LEU  13          1HD1      LEU  13  -5.235   5.329  -4.389
  101   2HD1  LEU  13          2HD1      LEU  13  -5.899   6.596  -5.416
  102   3HD1  LEU  13          3HD1      LEU  13  -4.344   5.866  -5.835
  103   1HD2  LEU  13          1HD2      LEU  13  -5.466   5.438  -8.154
  104   2HD2  LEU  13          2HD2      LEU  13  -6.992   6.118  -7.531
  105   3HD2  LEU  13          3HD2      LEU  13  -6.964   4.482  -8.203
  106    H    CYS  14           H        CYS  14  -6.620   1.613  -3.115
  107    HA   CYS  14           HA       CYS  14  -8.685   0.093  -4.658
  108   1HB   CYS  14          1HB       CYS  14  -7.920   0.105  -1.702
  109   2HB   CYS  14          2HB       CYS  14  -9.323  -0.764  -2.363
  110    HG   CYS  14           HG       CYS  14  -7.429  -2.483  -1.960
  111    H    VAL  15           H        VAL  15 -10.913   0.362  -3.068
  112    HA   VAL  15           HA       VAL  15 -11.247   3.215  -2.495
  113    HB   VAL  15           HB       VAL  15 -13.578   3.119  -3.395
  114   1HG1  VAL  15          1HG1      VAL  15 -12.973   3.599  -5.699
  115   2HG1  VAL  15          2HG1      VAL  15 -11.785   4.293  -4.591
  116   3HG1  VAL  15          3HG1      VAL  15 -11.393   2.809  -5.492
  117   1HG2  VAL  15          1HG2      VAL  15 -14.184   1.498  -5.104
  118   2HG2  VAL  15          2HG2      VAL  15 -12.645   0.641  -4.911
  119   3HG2  VAL  15          3HG2      VAL  15 -13.839   0.652  -3.590
  120    H    CYS  16           H        CYS  16 -12.774   3.681  -0.958
  121    HA   CYS  16           HA       CYS  16 -13.523   1.702   1.062
  122   1HB   CYS  16          1HB       CYS  16 -13.233   4.174   1.544
  123   2HB   CYS  16          2HB       CYS  16 -14.632   4.474   0.493
  124    H    CYS  17           H        CYS  17 -14.868   0.115   0.309
  125    HA   CYS  17           HA       CYS  17 -16.494   0.255  -1.945
  126   1HB   CYS  17          1HB       CYS  17 -15.541  -1.748  -1.000
  127   2HB   CYS  17          2HB       CYS  17 -16.555  -1.633   0.444
  128    HG   CYS  17           HG       CYS  17 -18.766  -1.560  -1.338
  129    H    LYS  18           H        LYS  18 -17.344   1.959   0.904
  130    HA   LYS  18           HA       LYS  18 -20.204   1.795   0.139
  131   1HB   LYS  18          1HB       LYS  18 -20.645   2.562   2.416
  132   2HB   LYS  18          2HB       LYS  18 -20.073   0.891   2.241
  133   1HG   LYS  18          1HG       LYS  18 -18.001   1.384   3.273
  134   2HG   LYS  18          2HG       LYS  18 -18.211   3.126   3.072
  135   1HD   LYS  18          1HD       LYS  18 -18.602   2.203   5.414
  136   2HD   LYS  18          2HD       LYS  18 -19.850   3.275   4.768
  137   1HE   LYS  18          1HE       LYS  18 -21.244   1.316   4.178
  138   2HE   LYS  18          2HE       LYS  18 -20.014   0.225   4.840
  139   1HZ   LYS  18          1HZ       LYS  18 -21.370   2.337   6.451
  140   2HZ   LYS  18          2HZ       LYS  18 -20.441   1.131   7.006
  141   3HZ   LYS  18          3HZ       LYS  18 -21.918   0.810   6.377
  142    H    CYS  19           H        CYS  19 -17.482   4.101   0.408
  143    HA   CYS  19           HA       CYS  19 -19.465   6.131  -0.452
  144   1HB   CYS  19          1HB       CYS  19 -18.000   7.751   0.445
  145   2HB   CYS  19          2HB       CYS  19 -18.474   6.629   1.713
  146    H    ASP  20           H        ASP  20 -17.254   4.007  -1.683
  147    HA   ASP  20           HA       ASP  20 -15.943   3.791  -3.400
  148   1HB   ASP  20          1HB       ASP  20 -18.029   4.485  -4.581
  149   2HB   ASP  20          2HB       ASP  20 -17.375   6.122  -4.668
  150    H    GLY  21           H        GLY  21 -15.211   5.667  -1.178
  151   1HA   GLY  21          1HA       GLY  21 -13.774   7.855  -2.326
  152   2HA   GLY  21          2HA       GLY  21 -13.561   7.315  -0.678
  153    H    ARG  22           H        ARG  22 -11.983   7.974  -3.009
  154    HA   ARG  22           HA       ARG  22 -10.249   5.961  -4.044
  155   1HB   ARG  22          1HB       ARG  22 -10.547   8.184  -4.979
  156   2HB   ARG  22          2HB       ARG  22  -9.878   8.948  -3.540
  157   1HG   ARG  22          1HG       ARG  22  -8.216   7.106  -5.300
  158   2HG   ARG  22          2HG       ARG  22  -8.466   8.815  -5.673
  159   1HD   ARG  22          1HD       ARG  22  -7.664   9.274  -3.242
  160   2HD   ARG  22          2HD       ARG  22  -7.018   7.635  -3.299
  161    HE   ARG  22           HE       ARG  22  -6.217   9.129  -5.612
  162   1HH1  ARG  22          1HH1      ARG  22  -5.442   9.013  -2.104
  163   2HH1  ARG  22          2HH1      ARG  22  -3.706   8.879  -2.478
  164   1HH2  ARG  22          1HH2      ARG  22  -3.814   9.172  -5.859
  165   2HH2  ARG  22          2HH2      ARG  22  -2.910   8.986  -4.349
  166    H    ILE  23           H        ILE  23  -8.976   4.570  -2.783
  167    HA   ILE  23           HA       ILE  23  -7.728   5.816  -0.430
  168    HB   ILE  23           HB       ILE  23  -9.891   4.138  -0.308
  169   1HG1  ILE  23          1HG1      ILE  23  -7.737   4.488   1.800
  170   2HG1  ILE  23          2HG1      ILE  23  -9.000   5.665   1.395
  171   1HG2  ILE  23          1HG2      ILE  23  -9.261   1.979   0.555
  172   2HG2  ILE  23          2HG2      ILE  23  -8.608   2.185  -1.064
  173   3HG2  ILE  23          3HG2      ILE  23  -7.538   2.371   0.331
  174   1HD1  ILE  23          1HD1      ILE  23 -10.737   3.994   2.028
  175   2HD1  ILE  23          2HD1      ILE  23  -9.434   2.924   2.606
  176   3HD1  ILE  23          3HD1      ILE  23  -9.654   4.503   3.348
  177    H    GLU  24           H        GLU  24  -5.651   5.939  -0.716
  178    HA   GLU  24           HA       GLU  24  -4.273   4.176  -2.622
  179   1HB   GLU  24          1HB       GLU  24  -4.085   6.557  -2.784
  180   2HB   GLU  24          2HB       GLU  24  -3.506   6.692  -1.116
  181   1HG   GLU  24          1HG       GLU  24  -1.435   5.489  -1.756
  182   2HG   GLU  24          2HG       GLU  24  -2.084   5.217  -3.379
  183    H    LEU  25           H        LEU  25  -4.042   2.178  -1.617
  184    HA   LEU  25           HA       LEU  25  -3.222   2.011   1.155
  185   1HB   LEU  25          1HB       LEU  25  -3.195  -0.205  -0.900
  186   2HB   LEU  25          2HB       LEU  25  -3.135  -0.368   0.841
  187    HG   LEU  25           HG       LEU  25  -5.492   0.616  -0.835
  188   1HD1  LEU  25          1HD1      LEU  25  -5.084  -1.904   0.851
  189   2HD1  LEU  25          2HD1      LEU  25  -5.098  -1.817  -0.923
  190   3HD1  LEU  25          3HD1      LEU  25  -6.572  -1.456  -0.007
  191   1HD2  LEU  25          1HD2      LEU  25  -6.716   0.542   1.386
  192   2HD2  LEU  25          2HD2      LEU  25  -5.501   1.822   1.310
  193   3HD2  LEU  25          3HD2      LEU  25  -5.155   0.329   2.200
  194    H    THR  26           H        THR  26  -1.355   3.254   1.197
  195    HA   THR  26           HA       THR  26   1.036   2.500  -0.295
  196    HB   THR  26           HB       THR  26   0.811   4.195   2.219
  197    HG1  THR  26           HG1      THR  26  -0.371   4.945   0.351
  198   1HG2  THR  26          1HG2      THR  26   3.017   3.952   0.123
  199   2HG2  THR  26          2HG2      THR  26   3.111   3.407   1.811
  200   3HG2  THR  26          3HG2      THR  26   2.967   5.136   1.450
  201    H    VAL  27           H        VAL  27   1.700   0.480  -0.032
  202    HA   VAL  27           HA       VAL  27   1.839  -0.713   2.700
  203    HB   VAL  27           HB       VAL  27   1.795  -2.905   1.601
  204   1HG1  VAL  27          1HG1      VAL  27  -0.326  -1.885   2.395
  205   2HG1  VAL  27          2HG1      VAL  27  -0.621  -1.254   0.761
  206   3HG1  VAL  27          3HG1      VAL  27  -0.561  -3.005   1.042
  207   1HG2  VAL  27          1HG2      VAL  27   1.185  -1.459  -1.017
  208   2HG2  VAL  27          2HG2      VAL  27   2.705  -2.300  -0.627
  209   3HG2  VAL  27          3HG2      VAL  27   1.200  -3.214  -0.741
  210    H    GLU  28           H        GLU  28   3.757  -2.307   2.818
  211    HA   GLU  28           HA       GLU  28   5.967  -1.688   0.980
  212   1HB   GLU  28          1HB       GLU  28   6.155  -1.654   3.950
  213   2HB   GLU  28          2HB       GLU  28   7.564  -1.759   2.883
  214   1HG   GLU  28          1HG       GLU  28   6.843   0.486   1.967
  215   2HG   GLU  28          2HG       GLU  28   5.596   0.550   3.205
  216    H    SER  29           H        SER  29   5.308  -3.642  -0.050
  217    HA   SER  29           HA       SER  29   6.291  -6.022   1.237
  218   1HB   SER  29          1HB       SER  29   3.805  -5.734   2.002
  219   2HB   SER  29          2HB       SER  29   3.406  -6.148   0.321
  220    HG   SER  29           HG       SER  29   3.410  -8.006   1.528
  221    H    SER  30           H        SER  30   6.333  -7.789  -0.326
  222    HA   SER  30           HA       SER  30   7.276  -6.759  -2.865
  223   1HB   SER  30          1HB       SER  30   6.966  -9.609  -1.804
  224   2HB   SER  30          2HB       SER  30   7.871  -9.157  -3.263
  225    HG   SER  30           HG       SER  30   9.106  -9.346  -1.254
  226    H    ALA  31           H        ALA  31   6.732  -7.799  -4.952
  227    HA   ALA  31           HA       ALA  31   4.247  -7.126  -5.785
  228   1HB   ALA  31          1HB       ALA  31   6.188  -7.411  -7.250
  229   2HB   ALA  31          2HB       ALA  31   6.095  -9.181  -7.061
  230   3HB   ALA  31          3HB       ALA  31   4.787  -8.299  -7.877
  231    H    GLU  32           H        GLU  32   5.187 -10.467  -4.821
  232    HA   GLU  32           HA       GLU  32   2.822 -11.759  -5.732
  233   1HB   GLU  32          1HB       GLU  32   4.816 -12.439  -3.534
  234   2HB   GLU  32          2HB       GLU  32   3.581 -13.557  -4.134
  235   1HG   GLU  32          1HG       GLU  32   4.560 -13.578  -6.355
  236   2HG   GLU  32          2HG       GLU  32   5.697 -12.293  -5.939
  237    H    ASP  33           H        ASP  33   3.671 -10.279  -2.580
  238    HA   ASP  33           HA       ASP  33   1.218 -11.066  -1.298
  239   1HB   ASP  33          1HB       ASP  33   3.279 -10.790  -0.028
  240   2HB   ASP  33          2HB       ASP  33   3.378  -9.097  -0.528
  241    H    LEU  34           H        LEU  34   2.552  -8.065  -2.777
  242    HA   LEU  34           HA       LEU  34   0.290  -6.385  -2.549
  243   1HB   LEU  34          1HB       LEU  34   2.260  -5.484  -3.435
  244   2HB   LEU  34          2HB       LEU  34   2.386  -6.674  -4.711
  245    HG   LEU  34           HG       LEU  34  -0.069  -4.933  -4.765
  246   1HD1  LEU  34          1HD1      LEU  34   1.774  -3.333  -4.234
  247   2HD1  LEU  34          2HD1      LEU  34   1.083  -3.083  -5.842
  248   3HD1  LEU  34          3HD1      LEU  34   2.646  -3.903  -5.680
  249   1HD2  LEU  34          1HD2      LEU  34   0.203  -6.551  -6.594
  250   2HD2  LEU  34          2HD2      LEU  34   1.835  -5.945  -6.928
  251   3HD2  LEU  34          3HD2      LEU  34   0.411  -4.925  -7.220
  252    H    ARG  35           H        ARG  35   0.943  -8.843  -5.086
  253    HA   ARG  35           HA       ARG  35  -1.482  -8.463  -6.518
  254   1HB   ARG  35          1HB       ARG  35   0.638  -9.626  -7.234
  255   2HB   ARG  35          2HB       ARG  35   0.240 -10.991  -6.212
  256   1HG   ARG  35          1HG       ARG  35  -1.710 -11.518  -7.551
  257   2HG   ARG  35          2HG       ARG  35  -1.503 -10.030  -8.514
  258   1HD   ARG  35          1HD       ARG  35   0.706 -10.845  -9.287
  259   2HD   ARG  35          2HD       ARG  35   0.515 -12.322  -8.349
  260    HE   ARG  35           HE       ARG  35  -0.787 -11.557 -10.862
  261   1HH1  ARG  35          1HH1      ARG  35  -0.751 -13.922  -8.227
  262   2HH1  ARG  35          2HH1      ARG  35  -1.509 -15.182  -9.130
  263   1HH2  ARG  35          1HH2      ARG  35  -1.807 -13.222 -12.089
  264   2HH2  ARG  35          2HH2      ARG  35  -2.127 -14.758 -11.376
  265    H    THR  36           H        THR  36  -0.620 -10.714  -3.948
  266    HA   THR  36           HA       THR  36  -3.132 -12.080  -3.811
  267    HB   THR  36           HB       THR  36  -1.148 -11.527  -1.559
  268    HG1  THR  36           HG1      THR  36  -0.055 -12.524  -3.220
  269   1HG2  THR  36          1HG2      THR  36  -3.269 -12.424  -0.695
  270   2HG2  THR  36          2HG2      THR  36  -2.008 -13.660  -0.612
  271   3HG2  THR  36          3HG2      THR  36  -3.235 -13.727  -1.901
  272    H    LEU  37           H        LEU  37  -1.918  -9.293  -1.831
  273    HA   LEU  37           HA       LEU  37  -4.353  -9.083  -0.404
  274   1HB   LEU  37          1HB       LEU  37  -3.438  -7.414   0.832
  275   2HB   LEU  37          2HB       LEU  37  -2.111  -8.457   0.399
  276    HG   LEU  37           HG       LEU  37  -1.715  -6.653  -1.534
  277   1HD1  LEU  37          1HD1      LEU  37  -2.213  -4.345  -0.543
  278   2HD1  LEU  37          2HD1      LEU  37  -3.309  -5.136   0.576
  279   3HD1  LEU  37          3HD1      LEU  37  -3.616  -5.201  -1.179
  280   1HD2  LEU  37          1HD2      LEU  37  -0.163  -5.472  -0.039
  281   2HD2  LEU  37          2HD2      LEU  37  -0.131  -7.207   0.293
  282   3HD2  LEU  37          3HD2      LEU  37  -1.011  -6.124   1.385
  283    H    GLN  38           H        GLN  38  -3.262  -7.583  -3.467
  284    HA   GLN  38           HA       GLN  38  -5.391  -5.797  -3.910
  285   1HB   GLN  38          1HB       GLN  38  -3.395  -5.893  -5.327
  286   2HB   GLN  38          2HB       GLN  38  -3.547  -7.607  -5.537
  287   1HG   GLN  38          1HG       GLN  38  -4.064  -6.730  -7.607
  288   2HG   GLN  38          2HG       GLN  38  -5.599  -7.283  -6.968
  289   1HE2  GLN  38          1HE2      GLN  38  -3.425  -4.422  -6.889
  290   2HE2  GLN  38          2HE2      GLN  38  -4.713  -3.230  -6.980
  291    H    GLN  39           H        GLN  39  -4.976  -9.286  -4.756
  292    HA   GLN  39           HA       GLN  39  -7.407  -9.485  -6.004
  293   1HB   GLN  39          1HB       GLN  39  -5.493 -11.488  -4.937
  294   2HB   GLN  39          2HB       GLN  39  -7.028 -11.985  -5.714
  295   1HG   GLN  39          1HG       GLN  39  -6.609 -10.582  -7.647
  296   2HG   GLN  39          2HG       GLN  39  -5.200  -9.850  -6.915
  297   1HE2  GLN  39          1HE2      GLN  39  -4.218 -10.257  -8.847
  298   2HE2  GLN  39          2HE2      GLN  39  -3.653 -11.873  -9.228
  299    H    LEU  40           H        LEU  40  -6.710 -10.062  -2.496
  300    HA   LEU  40           HA       LEU  40  -9.484 -10.739  -2.021
  301   1HB   LEU  40          1HB       LEU  40  -9.031  -9.987   0.346
  302   2HB   LEU  40          2HB       LEU  40  -8.291 -11.442  -0.318
  303    HG   LEU  40           HG       LEU  40  -6.281  -9.673  -0.725
  304   1HD1  LEU  40          1HD1      LEU  40  -7.546  -8.854   1.931
  305   2HD1  LEU  40          2HD1      LEU  40  -7.554  -7.822   0.492
  306   3HD1  LEU  40          3HD1      LEU  40  -6.028  -8.247   1.254
  307   1HD2  LEU  40          1HD2      LEU  40  -6.056 -11.848   0.284
  308   2HD2  LEU  40          2HD2      LEU  40  -6.832 -11.274   1.780
  309   3HD2  LEU  40          3HD2      LEU  40  -5.250 -10.635   1.286
  310    H    PHE  41           H        PHE  41  -7.727  -7.676  -1.772
  311    HA   PHE  41           HA       PHE  41 -10.128  -6.121  -1.141
  312   1HB   PHE  41          1HB       PHE  41  -7.408  -5.254  -2.173
  313   2HB   PHE  41          2HB       PHE  41  -8.718  -4.135  -1.853
  314    HD1  PHE  41           HD1      PHE  41  -9.921  -4.810   0.641
  315    HD2  PHE  41           HD2      PHE  41  -5.774  -4.951  -0.486
  316    HE1  PHE  41           HE1      PHE  41  -9.264  -4.558   3.019
  317    HE2  PHE  41           HE2      PHE  41  -5.124  -4.707   1.898
  318    HZ   PHE  41           HZ       PHE  41  -6.868  -4.528   3.651
  319    H    LEU  42           H        LEU  42  -9.351  -7.723  -3.984
  320    HA   LEU  42           HA       LEU  42 -10.855  -5.853  -5.740
  321   1HB   LEU  42          1HB       LEU  42  -8.579  -6.328  -6.256
  322   2HB   LEU  42          2HB       LEU  42  -8.856  -8.055  -6.151
  323    HG   LEU  42           HG       LEU  42  -8.538  -6.975  -8.374
  324   1HD1  LEU  42          1HD1      LEU  42 -10.964  -8.775  -8.109
  325   2HD1  LEU  42          2HD1      LEU  42  -9.271  -9.310  -8.071
  326   3HD1  LEU  42          3HD1      LEU  42  -9.939  -8.568  -9.535
  327   1HD2  LEU  42          1HD2      LEU  42 -10.041  -5.074  -8.114
  328   2HD2  LEU  42          2HD2      LEU  42 -11.440  -6.170  -8.152
  329   3HD2  LEU  42          3HD2      LEU  42 -10.389  -6.025  -9.568
  330    H    SER  43           H        SER  43 -10.807  -9.128  -4.222
  331    HA   SER  43           HA       SER  43 -12.848 -10.183  -5.927
  332   1HB   SER  43          1HB       SER  43 -12.751 -12.024  -4.369
  333   2HB   SER  43          2HB       SER  43 -11.143 -11.517  -4.796
  334    HG   SER  43           HG       SER  43 -12.504 -11.138  -2.304
  335    H    THR  44           H        THR  44 -12.759  -9.033  -2.618
  336    HA   THR  44           HA       THR  44 -15.630  -8.708  -2.430
  337    HB   THR  44           HB       THR  44 -15.338 -10.267  -0.275
  338    HG1  THR  44           HG1      THR  44 -13.797 -11.794  -0.497
  339   1HG2  THR  44          1HG2      THR  44 -16.801 -10.790  -2.227
  340   2HG2  THR  44          2HG2      THR  44 -16.054 -12.215  -1.477
  341   3HG2  THR  44          3HG2      THR  44 -15.417 -11.588  -3.008
  342    H    LEU  45           H        LEU  45 -12.441  -8.413  -0.870
  343    HA   LEU  45           HA       LEU  45 -13.594  -7.111   1.461
  344   1HB   LEU  45          1HB       LEU  45 -11.467  -8.699   1.193
  345   2HB   LEU  45          2HB       LEU  45 -10.643  -7.205   0.785
  346    HG   LEU  45           HG       LEU  45 -11.414  -6.274   3.031
  347   1HD1  LEU  45          1HD1      LEU  45 -12.116  -7.948   4.749
  348   2HD1  LEU  45          2HD1      LEU  45 -12.250  -9.182   3.479
  349   3HD1  LEU  45          3HD1      LEU  45 -13.334  -7.776   3.486
  350   1HD2  LEU  45          1HD2      LEU  45  -9.771  -8.843   3.137
  351   2HD2  LEU  45          2HD2      LEU  45  -9.745  -7.521   4.327
  352   3HD2  LEU  45          3HD2      LEU  45  -9.150  -7.243   2.685
  353    H    SER  46           H        SER  46 -12.698  -4.938   2.206
  354    HA   SER  46           HA       SER  46 -11.629  -3.149   0.206
  355   1HB   SER  46          1HB       SER  46 -14.022  -2.783  -0.087
  356   2HB   SER  46          2HB       SER  46 -14.228  -2.594   1.673
  357    HG   SER  46           HG       SER  46 -12.954  -0.753  -0.137
  358    H    PHE  47           H        PHE  47 -11.209  -1.057   1.471
  359    HA   PHE  47           HA       PHE  47  -9.871  -1.977   3.932
  360   1HB   PHE  47          1HB       PHE  47  -8.722  -0.707   1.930
  361   2HB   PHE  47          2HB       PHE  47  -9.411   0.722   2.661
  362    HD1  PHE  47           HD1      PHE  47  -6.924  -1.965   2.988
  363    HD2  PHE  47           HD2      PHE  47  -8.631   1.487   4.927
  364    HE1  PHE  47           HE1      PHE  47  -5.010  -1.906   4.567
  365    HE2  PHE  47           HE2      PHE  47  -6.708   1.553   6.492
  366    HZ   PHE  47           HZ       PHE  47  -4.893  -0.139   6.313
  367    H    VAL  48           H        VAL  48 -12.353   0.190   2.875
  368    HA   VAL  48           HA       VAL  48 -13.731   1.665   3.787
  369    HB   VAL  48           HB       VAL  48 -13.427   0.066   6.343
  370   1HG1  VAL  48          1HG1      VAL  48 -15.688   1.839   5.310
  371   2HG1  VAL  48          2HG1      VAL  48 -15.728   0.855   6.791
  372   3HG1  VAL  48          3HG1      VAL  48 -14.610   2.216   6.676
  373   1HG2  VAL  48          1HG2      VAL  48 -15.432  -1.158   5.486
  374   2HG2  VAL  48          2HG2      VAL  48 -15.283  -0.297   3.938
  375   3HG2  VAL  48          3HG2      VAL  48 -14.015  -1.424   4.473
  376    H    CYS  49           H        CYS  49 -13.031   3.721   3.778
  377    HA   CYS  49           HA       CYS  49 -10.751   4.681   5.156
  378   1HB   CYS  49          1HB       CYS  49 -11.678   6.925   4.618
  379   2HB   CYS  49          2HB       CYS  49 -11.684   5.846   3.234
  380    HA   PRO  50           HA       PRO  50 -11.967   4.901   9.266
  381   1HB   PRO  50          1HB       PRO  50 -10.772   7.182  10.298
  382   2HB   PRO  50          2HB       PRO  50  -9.932   5.651   9.911
  383   1HG   PRO  50          1HG       PRO  50 -10.170   8.136   8.193
  384   2HG   PRO  50          2HG       PRO  50  -8.706   7.157   8.533
  385   1HD   PRO  50          1HD       PRO  50 -10.098   6.829   6.238
  386   2HD   PRO  50          2HD       PRO  50  -9.440   5.407   7.102
  387    H    TRP  51           H        TRP  51 -12.758   7.795   7.386
  388    HA   TRP  51           HA       TRP  51 -14.706   8.893   9.163
  389   1HB   TRP  51          1HB       TRP  51 -13.862  10.112   7.211
  390   2HB   TRP  51          2HB       TRP  51 -14.573   8.916   6.126
  391    HD1  TRP  51           HD1      TRP  51 -15.581  11.727   8.543
  392    HE1  TRP  51           HE1      TRP  51 -18.013  12.427   8.101
  393    HE3  TRP  51           HE3      TRP  51 -16.803   8.261   4.985
  394    HZ2  TRP  51           HZ2      TRP  51 -20.231  11.542   6.487
  395    HZ3  TRP  51           HZ3      TRP  51 -19.094   8.190   4.036
  396    HH2  TRP  51           HH2      TRP  51 -20.813   9.817   4.786
  397    H    CYS  52           H        CYS  52 -14.950   6.389   6.552
  398    HA   CYS  52           HA       CYS  52 -17.747   5.832   7.093
  399   1HB   CYS  52          1HB       CYS  52 -15.574   4.426   5.509
  400   2HB   CYS  52          2HB       CYS  52 -17.152   3.717   5.795
  401    H    ALA  53           H        ALA  53 -14.612   4.468   8.267
  402    HA   ALA  53           HA       ALA  53 -15.830   2.325   9.713
  403   1HB   ALA  53          1HB       ALA  53 -13.321   3.817  10.550
  404   2HB   ALA  53          2HB       ALA  53 -13.770   2.151  10.931
  405   3HB   ALA  53          3HB       ALA  53 -13.359   2.582   9.258
  406    H    THR  54           H        THR  54 -15.601   5.750  10.428
  407    HA   THR  54           HA       THR  54 -16.545   5.492  13.179
  408    HB   THR  54           HB       THR  54 -16.274   7.974  11.429
  409    HG1  THR  54           HG1      THR  54 -14.279   6.960  11.533
  410   1HG2  THR  54          1HG2      THR  54 -16.281   7.621  14.458
  411   2HG2  THR  54          2HG2      THR  54 -17.576   8.366  13.492
  412   3HG2  THR  54          3HG2      THR  54 -15.985   9.141  13.588
  413    H    ASN  55           H        ASN  55 -17.943   6.750  10.091
  414    HA   ASN  55           HA       ASN  55 -20.516   7.311  11.376
  415   1HB   ASN  55          1HB       ASN  55 -19.559   7.598   8.489
  416   2HB   ASN  55          2HB       ASN  55 -21.157   8.070   9.063
  417   1HD2  ASN  55          1HD2      ASN  55 -17.662   8.739   9.492
  418   2HD2  ASN  55          2HD2      ASN  55 -17.928  10.325  10.205
  419    H    GLN  56           H        GLN  56 -19.153   4.702   9.677
  420    HA   GLN  56           HA       GLN  56 -19.775   2.743   8.918
  421   1HB   GLN  56          1HB       GLN  56 -21.390   3.057  11.439
  422   2HB   GLN  56          2HB       GLN  56 -21.176   1.500  10.591
  423   1HG   GLN  56          1HG       GLN  56 -18.733   1.705  10.749
  424   2HG   GLN  56          2HG       GLN  56 -18.897   3.276  11.537
  425   1HE2  GLN  56          1HE2      GLN  56 -17.489   2.320  13.124
  426   2HE2  GLN  56          2HE2      GLN  56 -18.227   1.362  14.432
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  13.628   4.716  -3.834
    2   1HA   GLY   1          1HA       GLY   1  11.265   4.872  -5.582
    3   2HA   GLY   1          2HA       GLY   1  11.372   5.508  -3.929
    4    H    SER   2           H        SER   2  13.036   5.713  -7.120
    5    HA   SER   2           HA       SER   2  13.015   8.551  -7.293
    6   1HB   SER   2          1HB       SER   2  14.889   8.241  -5.625
    7   2HB   SER   2          2HB       SER   2  15.687   7.142  -6.762
    8    HG   SER   2           HG       SER   2  15.453   9.908  -6.792
    9    H    HIS   3           H        HIS   3  15.523   8.109  -9.029
   10    HA   HIS   3           HA       HIS   3  14.452   6.922 -11.439
   11   1HB   HIS   3          1HB       HIS   3  16.647   7.224 -12.336
   12   2HB   HIS   3          2HB       HIS   3  16.280   8.635 -11.351
   13    HD1  HIS   3           HD1      HIS   3  18.372   5.405 -11.217
   14    HD2  HIS   3           HD2      HIS   3  17.936   9.121  -9.283
   15    HE1  HIS   3           HE1      HIS   3  20.360   5.640  -9.594
   16    H    MET   4           H        MET   4  15.117   5.367  -8.611
   17    HA   MET   4           HA       MET   4  15.235   2.772  -9.934
   18   1HB   MET   4          1HB       MET   4  17.511   3.024  -9.093
   19   2HB   MET   4          2HB       MET   4  16.929   3.621  -7.534
   20   1HG   MET   4          1HG       MET   4  15.909   1.448  -7.030
   21   2HG   MET   4          2HG       MET   4  16.401   0.813  -8.598
   22   1HE   MET   4          1HE       MET   4  20.253   0.361  -8.202
   23   2HE   MET   4          2HE       MET   4  18.819   0.069  -9.210
   24   3HE   MET   4          3HE       MET   4  19.433   1.727  -8.985
   25    H    ALA   5           H        ALA   5  13.815   1.299  -8.775
   26    HA   ALA   5           HA       ALA   5  12.529   2.280  -6.391
   27   1HB   ALA   5          1HB       ALA   5  10.924   2.808  -8.201
   28   2HB   ALA   5          2HB       ALA   5  11.002   1.111  -8.747
   29   3HB   ALA   5          3HB       ALA   5  10.327   1.508  -7.151
   30    H    GLU   6           H        GLU   6  11.535   0.536  -5.255
   31    HA   GLU   6           HA       GLU   6  13.172  -1.929  -5.440
   32   1HB   GLU   6          1HB       GLU   6  13.176  -1.778  -2.944
   33   2HB   GLU   6          2HB       GLU   6  14.016  -0.467  -3.749
   34   1HG   GLU   6          1HG       GLU   6  11.143  -0.181  -2.747
   35   2HG   GLU   6          2HG       GLU   6  12.548   0.068  -1.729
   36    HA   PRO   7           HA       PRO   7   9.449  -4.187  -5.322
   37   1HB   PRO   7          1HB       PRO   7  10.244  -6.672  -4.615
   38   2HB   PRO   7          2HB       PRO   7  10.968  -5.839  -6.019
   39   1HG   PRO   7          1HG       PRO   7  12.077  -5.994  -3.193
   40   2HG   PRO   7          2HG       PRO   7  12.920  -6.368  -4.732
   41   1HD   PRO   7          1HD       PRO   7  13.063  -3.924  -3.467
   42   2HD   PRO   7          2HD       PRO   7  13.184  -4.084  -5.236
   43    H    GLN   8           H        GLN   8   9.219  -2.495  -3.268
   44    HA   GLN   8           HA       GLN   8   7.817  -4.056  -1.240
   45   1HB   GLN   8          1HB       GLN   8  10.366  -3.793  -0.550
   46   2HB   GLN   8          2HB       GLN   8   9.891  -2.159  -0.124
   47   1HG   GLN   8          1HG       GLN   8   9.688  -3.441   1.845
   48   2HG   GLN   8          2HG       GLN   8   8.045  -3.177   1.294
   49   1HE2  GLN   8          1HE2      GLN   8   9.193  -5.715  -0.799
   50   2HE2  GLN   8          2HE2      GLN   8   8.657  -6.996   0.292
   51    H    ARG   9           H        ARG   9   9.047  -0.661  -1.302
   52    HA   ARG   9           HA       ARG   9   6.686   0.663  -0.713
   53   1HB   ARG   9          1HB       ARG   9   8.960   1.645  -0.813
   54   2HB   ARG   9          2HB       ARG   9   8.842   1.685  -2.570
   55   1HG   ARG   9          1HG       ARG   9   8.275   3.800  -1.793
   56   2HG   ARG   9          2HG       ARG   9   6.731   2.999  -2.085
   57   1HD   ARG   9          1HD       ARG   9   6.365   2.669   0.269
   58   2HD   ARG   9          2HD       ARG   9   8.024   3.212   0.635
   59    HE   ARG   9           HE       ARG   9   6.289   5.124  -0.725
   60   1HH1  ARG   9          1HH1      ARG   9   7.501   4.025   2.511
   61   2HH1  ARG   9          2HH1      ARG   9   7.064   5.497   3.275
   62   1HH2  ARG   9          1HH2      ARG   9   5.751   7.073   0.372
   63   2HH2  ARG   9          2HH2      ARG   9   6.066   7.238   2.062
   64    H    HIS  10           H        HIS  10   4.787   0.150  -1.623
   65    HA   HIS  10           HA       HIS  10   4.522   0.241  -4.607
   66   1HB   HIS  10          1HB       HIS  10   3.334  -1.794  -2.682
   67   2HB   HIS  10          2HB       HIS  10   2.928  -1.653  -4.388
   68    HD1  HIS  10           HD1      HIS  10   4.526  -4.244  -2.793
   69    HD2  HIS  10           HD2      HIS  10   6.179  -1.283  -5.226
   70    HE1  HIS  10           HE1      HIS  10   6.495  -5.277  -3.881
   71    H    LYS  11           H        LYS  11   2.381   0.895  -5.363
   72    HA   LYS  11           HA       LYS  11   0.697   2.247  -3.303
   73   1HB   LYS  11          1HB       LYS  11   1.520   3.164  -6.061
   74   2HB   LYS  11          2HB       LYS  11   0.128   3.830  -5.201
   75   1HG   LYS  11          1HG       LYS  11   1.374   5.143  -3.879
   76   2HG   LYS  11          2HG       LYS  11   2.492   3.845  -3.471
   77   1HD   LYS  11          1HD       LYS  11   3.720   5.624  -4.554
   78   2HD   LYS  11          2HD       LYS  11   3.720   4.183  -5.565
   79   1HE   LYS  11          1HE       LYS  11   3.386   6.001  -7.026
   80   2HE   LYS  11          2HE       LYS  11   1.822   5.196  -6.910
   81   1HZ   LYS  11          1HZ       LYS  11   1.002   6.927  -5.510
   82   2HZ   LYS  11          2HZ       LYS  11   1.720   7.649  -6.757
   83   3HZ   LYS  11          3HZ       LYS  11   2.499   7.585  -5.304
   84    H    ILE  12           H        ILE  12  -1.165   1.213  -3.121
   85    HA   ILE  12           HA       ILE  12  -2.443   0.073  -5.580
   86    HB   ILE  12           HB       ILE  12  -2.623  -0.858  -2.692
   87   1HG1  ILE  12          1HG1      ILE  12  -1.583  -2.354  -5.141
   88   2HG1  ILE  12          2HG1      ILE  12  -0.550  -1.549  -3.960
   89   1HG2  ILE  12          1HG2      ILE  12  -4.839  -0.989  -3.841
   90   2HG2  ILE  12          2HG2      ILE  12  -4.091  -1.851  -5.196
   91   3HG2  ILE  12          3HG2      ILE  12  -4.193  -2.595  -3.584
   92   1HD1  ILE  12          1HD1      ILE  12  -1.510  -2.950  -2.144
   93   2HD1  ILE  12          2HD1      ILE  12  -2.392  -3.894  -3.383
   94   3HD1  ILE  12          3HD1      ILE  12  -0.632  -3.867  -3.363
   95    H    LEU  13           H        LEU  13  -3.727   1.798  -6.189
   96    HA   LEU  13           HA       LEU  13  -5.173   3.349  -4.252
   97   1HB   LEU  13          1HB       LEU  13  -4.381   4.207  -6.453
   98   2HB   LEU  13          2HB       LEU  13  -5.638   3.260  -7.248
   99    HG   LEU  13           HG       LEU  13  -6.469   5.040  -4.936
  100   1HD1  LEU  13          1HD1      LEU  13  -5.669   6.094  -7.664
  101   2HD1  LEU  13          2HD1      LEU  13  -4.902   6.463  -6.102
  102   3HD1  LEU  13          3HD1      LEU  13  -6.557   7.012  -6.430
  103   1HD2  LEU  13          1HD2      LEU  13  -8.451   5.446  -6.359
  104   2HD2  LEU  13          2HD2      LEU  13  -8.194   3.718  -6.132
  105   3HD2  LEU  13          3HD2      LEU  13  -7.730   4.482  -7.664
  106    H    CYS  14           H        CYS  14  -6.635   2.427  -3.058
  107    HA   CYS  14           HA       CYS  14  -8.625   0.589  -4.300
  108   1HB   CYS  14          1HB       CYS  14  -7.186  -0.197  -2.287
  109   2HB   CYS  14          2HB       CYS  14  -8.105   0.975  -1.325
  110    HG   CYS  14           HG       CYS  14  -9.182  -1.582  -3.160
  111    H    VAL  15           H        VAL  15 -10.791   0.969  -2.816
  112    HA   VAL  15           HA       VAL  15 -11.176   3.822  -2.327
  113    HB   VAL  15           HB       VAL  15 -13.445   3.766  -3.324
  114   1HG1  VAL  15          1HG1      VAL  15 -12.765   4.156  -5.620
  115   2HG1  VAL  15          2HG1      VAL  15 -11.569   4.829  -4.509
  116   3HG1  VAL  15          3HG1      VAL  15 -11.227   3.304  -5.358
  117   1HG2  VAL  15          1HG2      VAL  15 -12.562   1.205  -4.727
  118   2HG2  VAL  15          2HG2      VAL  15 -13.798   1.309  -3.450
  119   3HG2  VAL  15          3HG2      VAL  15 -14.061   2.115  -5.001
  120    H    CYS  16           H        CYS  16 -12.834   4.248  -0.870
  121    HA   CYS  16           HA       CYS  16 -13.522   2.112   1.029
  122   1HB   CYS  16          1HB       CYS  16 -13.324   4.535   1.738
  123   2HB   CYS  16          2HB       CYS  16 -14.694   4.903   0.680
  124    H    CYS  17           H        CYS  17 -14.671   0.564  -0.119
  125    HA   CYS  17           HA       CYS  17 -16.367   0.903  -2.251
  126   1HB   CYS  17          1HB       CYS  17 -15.273  -1.199  -1.360
  127   2HB   CYS  17          2HB       CYS  17 -16.620  -1.338  -0.208
  128    HG   CYS  17           HG       CYS  17 -18.424  -1.074  -2.225
  129    H    LYS  18           H        LYS  18 -17.285   2.150   0.758
  130    HA   LYS  18           HA       LYS  18 -20.158   1.908   0.089
  131   1HB   LYS  18          1HB       LYS  18 -20.507   2.371   2.520
  132   2HB   LYS  18          2HB       LYS  18 -19.918   0.767   2.063
  133   1HG   LYS  18          1HG       LYS  18 -17.671   1.330   2.842
  134   2HG   LYS  18          2HG       LYS  18 -18.170   3.003   3.148
  135   1HD   LYS  18          1HD       LYS  18 -18.004   1.613   5.184
  136   2HD   LYS  18          2HD       LYS  18 -19.614   2.322   4.965
  137   1HE   LYS  18          1HE       LYS  18 -20.475   0.184   4.143
  138   2HE   LYS  18          2HE       LYS  18 -18.854  -0.538   4.206
  139   1HZ   LYS  18          1HZ       LYS  18 -18.900  -0.263   6.600
  140   2HZ   LYS  18          2HZ       LYS  18 -20.261  -1.082   6.143
  141   3HZ   LYS  18          3HZ       LYS  18 -20.333   0.503   6.565
  142    H    CYS  19           H        CYS  19 -17.520   4.316   0.454
  143    HA   CYS  19           HA       CYS  19 -19.625   6.289  -0.189
  144   1HB   CYS  19          1HB       CYS  19 -18.306   7.896   0.894
  145   2HB   CYS  19          2HB       CYS  19 -18.687   6.626   2.044
  146    H    ASP  20           H        ASP  20 -17.212   4.484  -1.559
  147    HA   ASP  20           HA       ASP  20 -15.835   4.530  -3.213
  148   1HB   ASP  20          1HB       ASP  20 -17.983   5.045  -4.396
  149   2HB   ASP  20          2HB       ASP  20 -17.483   6.736  -4.436
  150    H    GLY  21           H        GLY  21 -15.216   6.251  -0.930
  151   1HA   GLY  21          1HA       GLY  21 -13.792   8.572  -1.971
  152   2HA   GLY  21          2HA       GLY  21 -13.584   7.927  -0.350
  153    H    ARG  22           H        ARG  22 -11.780   8.743  -2.451
  154    HA   ARG  22           HA       ARG  22 -10.321   6.491  -3.573
  155   1HB   ARG  22          1HB       ARG  22 -10.422   8.644  -4.687
  156   2HB   ARG  22          2HB       ARG  22  -9.694   9.474  -3.320
  157   1HG   ARG  22          1HG       ARG  22  -8.177   7.296  -4.794
  158   2HG   ARG  22          2HG       ARG  22  -8.307   8.926  -5.458
  159   1HD   ARG  22          1HD       ARG  22  -7.399   9.769  -3.183
  160   2HD   ARG  22          2HD       ARG  22  -6.956   8.095  -2.875
  161    HE   ARG  22           HE       ARG  22  -5.249   8.218  -4.427
  162   1HH1  ARG  22          1HH1      ARG  22  -7.200  11.136  -4.772
  163   2HH1  ARG  22          2HH1      ARG  22  -6.010  11.991  -5.698
  164   1HH2  ARG  22          1HH2      ARG  22  -3.637   9.310  -5.578
  165   2HH2  ARG  22          2HH2      ARG  22  -3.946  10.901  -6.200
  166    H    ILE  23           H        ILE  23  -8.880   5.167  -2.465
  167    HA   ILE  23           HA       ILE  23  -7.330   6.457  -0.286
  168    HB   ILE  23           HB       ILE  23  -8.059   3.537  -0.117
  169   1HG1  ILE  23          1HG1      ILE  23  -9.779   5.787   1.022
  170   2HG1  ILE  23          2HG1      ILE  23 -10.245   4.641  -0.244
  171   1HG2  ILE  23          1HG2      ILE  23  -7.400   3.885   2.189
  172   2HG2  ILE  23          2HG2      ILE  23  -6.198   4.715   1.198
  173   3HG2  ILE  23          3HG2      ILE  23  -7.461   5.655   2.001
  174   1HD1  ILE  23          1HD1      ILE  23  -9.676   3.940   2.644
  175   2HD1  ILE  23          2HD1      ILE  23 -11.223   3.888   1.789
  176   3HD1  ILE  23          3HD1      ILE  23  -9.944   2.757   1.335
  177    H    GLU  24           H        GLU  24  -5.439   6.803  -1.371
  178    HA   GLU  24           HA       GLU  24  -4.358   4.742  -3.144
  179   1HB   GLU  24          1HB       GLU  24  -4.212   7.140  -3.660
  180   2HB   GLU  24          2HB       GLU  24  -3.067   7.355  -2.326
  181   1HG   GLU  24          1HG       GLU  24  -1.523   5.740  -3.372
  182   2HG   GLU  24          2HG       GLU  24  -2.718   5.348  -4.615
  183    H    LEU  25           H        LEU  25  -3.871   2.926  -1.974
  184    HA   LEU  25           HA       LEU  25  -2.689   3.115   0.658
  185   1HB   LEU  25          1HB       LEU  25  -2.907   0.619  -1.039
  186   2HB   LEU  25          2HB       LEU  25  -2.754   0.738   0.698
  187    HG   LEU  25           HG       LEU  25  -5.198   1.625  -0.916
  188   1HD1  LEU  25          1HD1      LEU  25  -4.884  -0.797  -0.978
  189   2HD1  LEU  25          2HD1      LEU  25  -6.265  -0.372   0.051
  190   3HD1  LEU  25          3HD1      LEU  25  -4.717  -0.842   0.794
  191   1HD2  LEU  25          1HD2      LEU  25  -4.781   1.354   2.101
  192   2HD2  LEU  25          2HD2      LEU  25  -6.304   1.777   1.287
  193   3HD2  LEU  25          3HD2      LEU  25  -4.921   2.880   1.215
  194    H    THR  26           H        THR  26  -0.915   4.428   0.062
  195    HA   THR  26           HA       THR  26   1.393   3.263  -1.331
  196    HB   THR  26           HB       THR  26   1.260   5.545   0.686
  197    HG1  THR  26           HG1      THR  26   0.099   5.886  -1.265
  198   1HG2  THR  26          1HG2      THR  26   3.456   6.170  -0.318
  199   2HG2  THR  26          2HG2      THR  26   3.443   4.664  -1.270
  200   3HG2  THR  26          3HG2      THR  26   3.536   4.601   0.503
  201    H    VAL  27           H        VAL  27   1.921   1.306  -0.556
  202    HA   VAL  27           HA       VAL  27   2.300   0.951   2.379
  203    HB   VAL  27           HB       VAL  27   1.888  -1.449   1.988
  204   1HG1  VAL  27          1HG1      VAL  27  -0.532  -1.343   1.775
  205   2HG1  VAL  27          2HG1      VAL  27   0.048   0.034   2.729
  206   3HG1  VAL  27          3HG1      VAL  27  -0.436   0.266   1.036
  207   1HG2  VAL  27          1HG2      VAL  27   1.001  -0.689  -0.835
  208   2HG2  VAL  27          2HG2      VAL  27   2.468  -1.608  -0.424
  209   3HG2  VAL  27          3HG2      VAL  27   0.872  -2.285  -0.072
  210    H    GLU  28           H        GLU  28   3.983  -0.865   2.746
  211    HA   GLU  28           HA       GLU  28   5.994  -1.029   0.606
  212   1HB   GLU  28          1HB       GLU  28   6.474  -0.550   3.535
  213   2HB   GLU  28          2HB       GLU  28   7.678  -1.382   2.551
  214   1HG   GLU  28          1HG       GLU  28   7.898   0.513   1.094
  215   2HG   GLU  28          2HG       GLU  28   6.504   1.313   1.849
  216    H    SER  29           H        SER  29   5.400  -3.159  -0.129
  217    HA   SER  29           HA       SER  29   5.647  -5.242   1.887
  218   1HB   SER  29          1HB       SER  29   3.159  -4.527   2.024
  219   2HB   SER  29          2HB       SER  29   2.999  -5.248   0.406
  220    HG   SER  29           HG       SER  29   2.517  -6.848   1.907
  221    H    SER  30           H        SER  30   5.716  -7.344   0.957
  222    HA   SER  30           HA       SER  30   7.148  -7.334  -1.552
  223   1HB   SER  30          1HB       SER  30   6.210  -9.607   0.247
  224   2HB   SER  30          2HB       SER  30   7.323  -9.798  -1.126
  225    HG   SER  30           HG       SER  30   8.312  -9.471   1.007
  226    H    ALA  31           H        ALA  31   6.714  -8.734  -3.367
  227    HA   ALA  31           HA       ALA  31   4.433  -8.041  -4.710
  228   1HB   ALA  31          1HB       ALA  31   6.133 -10.547  -5.140
  229   2HB   ALA  31          2HB       ALA  31   5.053  -9.812  -6.335
  230   3HB   ALA  31          3HB       ALA  31   6.492  -8.923  -5.783
  231    H    GLU  32           H        GLU  32   4.928 -11.098  -2.911
  232    HA   GLU  32           HA       GLU  32   2.615 -12.347  -3.974
  233   1HB   GLU  32          1HB       GLU  32   4.829 -13.196  -2.679
  234   2HB   GLU  32          2HB       GLU  32   3.715 -13.178  -1.302
  235   1HG   GLU  32          1HG       GLU  32   2.107 -14.525  -2.725
  236   2HG   GLU  32          2HG       GLU  32   3.334 -14.605  -3.983
  237    H    ASP  33           H        ASP  33   3.176 -10.552  -0.931
  238    HA   ASP  33           HA       ASP  33   0.529 -10.835   0.138
  239   1HB   ASP  33          1HB       ASP  33   2.316 -10.227   1.615
  240   2HB   ASP  33          2HB       ASP  33   2.776  -8.856   0.598
  241    H    LEU  34           H        LEU  34   2.199  -8.291  -1.821
  242    HA   LEU  34           HA       LEU  34  -0.069  -6.625  -2.190
  243   1HB   LEU  34          1HB       LEU  34   2.000  -5.772  -2.783
  244   2HB   LEU  34          2HB       LEU  34   2.430  -7.126  -3.801
  245    HG   LEU  34           HG       LEU  34  -0.004  -5.607  -4.718
  246   1HD1  LEU  34          1HD1      LEU  34   1.551  -3.772  -3.906
  247   2HD1  LEU  34          2HD1      LEU  34   1.243  -3.753  -5.651
  248   3HD1  LEU  34          3HD1      LEU  34   2.777  -4.387  -5.028
  249   1HD2  LEU  34          1HD2      LEU  34   2.584  -6.554  -6.086
  250   2HD2  LEU  34          2HD2      LEU  34   1.167  -5.904  -6.913
  251   3HD2  LEU  34          3HD2      LEU  34   1.072  -7.461  -6.054
  252    H    ARG  35           H        ARG  35   0.857  -9.561  -4.050
  253    HA   ARG  35           HA       ARG  35  -1.305  -9.334  -5.905
  254   1HB   ARG  35          1HB       ARG  35   0.853 -10.707  -6.061
  255   2HB   ARG  35          2HB       ARG  35   0.073 -11.923  -5.056
  256   1HG   ARG  35          1HG       ARG  35  -1.674 -12.251  -6.735
  257   2HG   ARG  35          2HG       ARG  35  -1.075 -10.879  -7.685
  258   1HD   ARG  35          1HD       ARG  35   1.068 -12.088  -8.074
  259   2HD   ARG  35          2HD       ARG  35   0.480 -13.437  -7.099
  260    HE   ARG  35           HE       ARG  35  -0.718 -14.210  -8.846
  261   1HH1  ARG  35          1HH1      ARG  35   0.082 -10.851  -9.602
  262   2HH1  ARG  35          2HH1      ARG  35  -0.515 -10.897 -11.223
  263   1HH2  ARG  35          1HH2      ARG  35  -1.526 -14.304 -11.005
  264   2HH2  ARG  35          2HH2      ARG  35  -1.442 -12.921 -12.031
  265    H    THR  36           H        THR  36  -0.950 -11.052  -2.874
  266    HA   THR  36           HA       THR  36  -3.502 -12.372  -2.851
  267    HB   THR  36           HB       THR  36  -1.862 -11.362  -0.540
  268    HG1  THR  36           HG1      THR  36  -0.505 -12.640  -1.788
  269   1HG2  THR  36          1HG2      THR  36  -3.791 -13.721  -0.731
  270   2HG2  THR  36          2HG2      THR  36  -4.052 -12.225   0.196
  271   3HG2  THR  36          3HG2      THR  36  -2.774 -13.349   0.678
  272    H    LEU  37           H        LEU  37  -2.448  -9.113  -1.550
  273    HA   LEU  37           HA       LEU  37  -5.052  -8.800  -0.292
  274   1HB   LEU  37          1HB       LEU  37  -4.204  -6.984   0.793
  275   2HB   LEU  37          2HB       LEU  37  -2.793  -7.986   0.591
  276    HG   LEU  37           HG       LEU  37  -2.428  -6.441  -1.593
  277   1HD1  LEU  37          1HD1      LEU  37  -4.553  -5.137  -1.293
  278   2HD1  LEU  37          2HD1      LEU  37  -3.144  -4.097  -1.087
  279   3HD1  LEU  37          3HD1      LEU  37  -4.018  -4.672   0.331
  280   1HD2  LEU  37          1HD2      LEU  37  -0.854  -6.646   0.295
  281   2HD2  LEU  37          2HD2      LEU  37  -1.825  -5.515   1.247
  282   3HD2  LEU  37          3HD2      LEU  37  -1.005  -4.965  -0.235
  283    H    GLN  38           H        GLN  38  -3.401  -7.767  -3.325
  284    HA   GLN  38           HA       GLN  38  -5.437  -5.945  -4.029
  285   1HB   GLN  38          1HB       GLN  38  -4.599  -5.819  -6.125
  286   2HB   GLN  38          2HB       GLN  38  -3.227  -6.072  -5.057
  287   1HG   GLN  38          1HG       GLN  38  -3.218  -8.447  -5.753
  288   2HG   GLN  38          2HG       GLN  38  -4.489  -8.187  -6.925
  289   1HE2  GLN  38          1HE2      GLN  38  -1.371  -6.799  -5.872
  290   2HE2  GLN  38          2HE2      GLN  38  -0.737  -6.516  -7.508
  291    H    GLN  39           H        GLN  39  -5.068  -9.609  -4.636
  292    HA   GLN  39           HA       GLN  39  -7.415  -9.593  -6.239
  293   1HB   GLN  39          1HB       GLN  39  -7.464 -11.831  -6.328
  294   2HB   GLN  39          2HB       GLN  39  -5.860 -11.184  -6.521
  295   1HG   GLN  39          1HG       GLN  39  -5.498 -11.693  -4.099
  296   2HG   GLN  39          2HG       GLN  39  -7.004 -12.655  -4.193
  297   1HE2  GLN  39          1HE2      GLN  39  -3.836 -12.063  -5.661
  298   2HE2  GLN  39          2HE2      GLN  39  -3.684 -13.593  -6.527
  299    H    LEU  40           H        LEU  40  -6.888  -9.997  -2.741
  300    HA   LEU  40           HA       LEU  40  -9.506 -10.904  -2.411
  301   1HB   LEU  40          1HB       LEU  40  -7.623  -9.519  -0.459
  302   2HB   LEU  40          2HB       LEU  40  -9.211 -10.092   0.048
  303    HG   LEU  40           HG       LEU  40  -7.099 -11.926  -1.168
  304   1HD1  LEU  40          1HD1      LEU  40  -6.317 -10.985   0.976
  305   2HD1  LEU  40          2HD1      LEU  40  -6.697 -12.705   1.127
  306   3HD1  LEU  40          3HD1      LEU  40  -7.832 -11.490   1.759
  307   1HD2  LEU  40          1HD2      LEU  40  -8.491 -13.721  -0.189
  308   2HD2  LEU  40          2HD2      LEU  40  -9.344 -12.827  -1.442
  309   3HD2  LEU  40          3HD2      LEU  40  -9.714 -12.512   0.271
  310    H    PHE  41           H        PHE  41  -8.151  -7.601  -2.360
  311    HA   PHE  41           HA       PHE  41 -10.623  -6.252  -1.788
  312   1HB   PHE  41          1HB       PHE  41  -8.096  -5.259  -3.142
  313   2HB   PHE  41          2HB       PHE  41  -9.435  -4.244  -2.637
  314    HD1  PHE  41           HD1      PHE  41  -9.138  -6.581   0.017
  315    HD2  PHE  41           HD2      PHE  41  -7.134  -3.168  -1.718
  316    HE1  PHE  41           HE1      PHE  41  -7.975  -6.195   2.134
  317    HE2  PHE  41           HE2      PHE  41  -5.931  -2.840   0.401
  318    HZ   PHE  41           HZ       PHE  41  -6.345  -4.332   2.342
  319    H    LEU  42           H        LEU  42  -9.174  -7.415  -4.822
  320    HA   LEU  42           HA       LEU  42 -11.130  -6.131  -6.543
  321   1HB   LEU  42          1HB       LEU  42  -9.035  -8.262  -6.826
  322   2HB   LEU  42          2HB       LEU  42 -10.358  -8.313  -7.961
  323    HG   LEU  42           HG       LEU  42  -8.526  -7.153  -8.921
  324   1HD1  LEU  42          1HD1      LEU  42 -10.672  -5.083  -8.368
  325   2HD1  LEU  42          2HD1      LEU  42 -10.846  -6.449  -9.492
  326   3HD1  LEU  42          3HD1      LEU  42  -9.612  -5.213  -9.778
  327   1HD2  LEU  42          1HD2      LEU  42  -7.784  -4.896  -8.142
  328   2HD2  LEU  42          2HD2      LEU  42  -7.306  -6.228  -7.096
  329   3HD2  LEU  42          3HD2      LEU  42  -8.662  -5.174  -6.623
  330    H    SER  43           H        SER  43 -10.929  -9.267  -4.902
  331    HA   SER  43           HA       SER  43 -13.142 -10.511  -6.162
  332   1HB   SER  43          1HB       SER  43 -11.382 -11.801  -5.171
  333   2HB   SER  43          2HB       SER  43 -11.560 -11.016  -3.606
  334    HG   SER  43           HG       SER  43 -13.346 -12.136  -3.165
  335    H    THR  44           H        THR  44 -12.881  -9.483  -2.750
  336    HA   THR  44           HA       THR  44 -15.749  -9.133  -2.565
  337    HB   THR  44           HB       THR  44 -15.473 -10.941  -0.573
  338    HG1  THR  44           HG1      THR  44 -13.991 -12.439  -0.966
  339   1HG2  THR  44          1HG2      THR  44 -15.752 -11.813  -3.469
  340   2HG2  THR  44          2HG2      THR  44 -17.049 -11.124  -2.467
  341   3HG2  THR  44          3HG2      THR  44 -16.315 -12.681  -2.024
  342    H    LEU  45           H        LEU  45 -12.616  -9.002  -1.021
  343    HA   LEU  45           HA       LEU  45 -13.600  -7.574   1.361
  344   1HB   LEU  45          1HB       LEU  45 -10.950  -8.484   0.275
  345   2HB   LEU  45          2HB       LEU  45 -10.908  -7.003   1.167
  346    HG   LEU  45           HG       LEU  45 -10.342  -8.906   2.538
  347   1HD1  LEU  45          1HD1      LEU  45 -11.400  -6.900   3.561
  348   2HD1  LEU  45          2HD1      LEU  45 -11.693  -8.391   4.470
  349   3HD1  LEU  45          3HD1      LEU  45 -12.983  -7.706   3.468
  350   1HD2  LEU  45          1HD2      LEU  45 -11.946 -10.611   3.193
  351   2HD2  LEU  45          2HD2      LEU  45 -11.733 -10.625   1.433
  352   3HD2  LEU  45          3HD2      LEU  45 -13.192  -9.902   2.146
  353    H    SER  46           H        SER  46 -12.863  -5.199   1.734
  354    HA   SER  46           HA       SER  46 -11.772  -3.834  -0.488
  355   1HB   SER  46          1HB       SER  46 -13.377  -1.959  -0.180
  356   2HB   SER  46          2HB       SER  46 -14.073  -3.420  -0.928
  357    HG   SER  46           HG       SER  46 -15.003  -3.920   1.048
  358    H    PHE  47           H        PHE  47 -11.221  -1.563   0.452
  359    HA   PHE  47           HA       PHE  47  -9.755  -2.151   2.897
  360   1HB   PHE  47          1HB       PHE  47  -8.919  -0.841   0.865
  361   2HB   PHE  47          2HB       PHE  47  -9.853   0.514   1.457
  362    HD1  PHE  47           HD1      PHE  47  -7.055  -1.822   2.228
  363    HD2  PHE  47           HD2      PHE  47  -9.135   1.731   3.455
  364    HE1  PHE  47           HE1      PHE  47  -5.220  -1.303   3.824
  365    HE2  PHE  47           HE2      PHE  47  -7.300   2.266   5.046
  366    HZ   PHE  47           HZ       PHE  47  -5.338   0.745   5.231
  367    H    VAL  48           H        VAL  48 -12.234   0.227   2.018
  368    HA   VAL  48           HA       VAL  48 -13.666   1.539   3.110
  369    HB   VAL  48           HB       VAL  48 -13.300  -0.296   5.486
  370   1HG1  VAL  48          1HG1      VAL  48 -14.258   1.845   6.216
  371   2HG1  VAL  48          2HG1      VAL  48 -15.465   1.770   4.911
  372   3HG1  VAL  48          3HG1      VAL  48 -15.487   0.584   6.233
  373   1HG2  VAL  48          1HG2      VAL  48 -14.175  -1.479   3.501
  374   2HG2  VAL  48          2HG2      VAL  48 -15.449  -1.268   4.699
  375   3HG2  VAL  48          3HG2      VAL  48 -15.403  -0.214   3.268
  376    H    CYS  49           H        CYS  49 -13.403   3.619   3.761
  377    HA   CYS  49           HA       CYS  49 -10.782   4.413   4.746
  378   1HB   CYS  49          1HB       CYS  49 -11.668   6.687   4.599
  379   2HB   CYS  49          2HB       CYS  49 -11.970   5.800   3.119
  380    HA   PRO  50           HA       PRO  50 -11.629   4.159   9.009
  381   1HB   PRO  50          1HB       PRO  50 -10.335   6.322  10.153
  382   2HB   PRO  50          2HB       PRO  50  -9.533   4.851   9.525
  383   1HG   PRO  50          1HG       PRO  50  -9.939   7.501   8.109
  384   2HG   PRO  50          2HG       PRO  50  -8.442   6.518   8.219
  385   1HD   PRO  50          1HD       PRO  50 -10.026   6.399   6.034
  386   2HD   PRO  50          2HD       PRO  50  -9.283   4.909   6.686
  387    H    TRP  51           H        TRP  51 -12.566   7.217   7.472
  388    HA   TRP  51           HA       TRP  51 -14.325   8.154   9.513
  389   1HB   TRP  51          1HB       TRP  51 -13.667   9.569   7.637
  390   2HB   TRP  51          2HB       TRP  51 -14.450   8.482   6.493
  391    HD1  TRP  51           HD1      TRP  51 -15.366  10.848   9.405
  392    HE1  TRP  51           HE1      TRP  51 -17.802  11.622   9.145
  393    HE3  TRP  51           HE3      TRP  51 -16.637   8.194   5.214
  394    HZ2  TRP  51           HZ2      TRP  51 -20.035  11.100   7.402
  395    HZ3  TRP  51           HZ3      TRP  51 -18.932   8.336   4.291
  396    HH2  TRP  51           HH2      TRP  51 -20.638   9.774   5.380
  397    H    CYS  52           H        CYS  52 -15.018   6.082   6.594
  398    HA   CYS  52           HA       CYS  52 -17.695   5.468   7.432
  399   1HB   CYS  52          1HB       CYS  52 -15.768   4.099   5.532
  400   2HB   CYS  52          2HB       CYS  52 -17.407   3.537   5.855
  401    H    ALA  53           H        ALA  53 -14.521   3.843   8.070
  402    HA   ALA  53           HA       ALA  53 -15.643   1.575   9.370
  403   1HB   ALA  53          1HB       ALA  53 -13.215   1.863   8.761
  404   2HB   ALA  53          2HB       ALA  53 -13.058   2.970  10.153
  405   3HB   ALA  53          3HB       ALA  53 -13.492   1.277  10.414
  406    H    THR  54           H        THR  54 -15.125   4.880  10.559
  407    HA   THR  54           HA       THR  54 -15.850   4.257  13.305
  408    HB   THR  54           HB       THR  54 -15.648   6.958  11.901
  409    HG1  THR  54           HG1      THR  54 -13.692   5.912  11.651
  410   1HG2  THR  54          1HG2      THR  54 -16.710   7.104  14.124
  411   2HG2  THR  54          2HG2      THR  54 -15.081   7.799  14.156
  412   3HG2  THR  54          3HG2      THR  54 -15.365   6.183  14.836
  413    H    ASN  55           H        ASN  55 -17.526   5.702  10.476
  414    HA   ASN  55           HA       ASN  55 -19.913   6.345  12.076
  415   1HB   ASN  55          1HB       ASN  55 -19.247   6.703   9.120
  416   2HB   ASN  55          2HB       ASN  55 -20.804   7.124   9.830
  417   1HD2  ASN  55          1HD2      ASN  55 -17.285   7.796  10.175
  418   2HD2  ASN  55          2HD2      ASN  55 -17.541   9.371  10.911
  419    H    GLN  56           H        GLN  56 -18.866   3.801  10.099
  420    HA   GLN  56           HA       GLN  56 -19.557   1.677   9.866
  421   1HB   GLN  56          1HB       GLN  56 -21.245   2.112  11.735
  422   2HB   GLN  56          2HB       GLN  56 -22.427   2.402  10.444
  423   1HG   GLN  56          1HG       GLN  56 -22.054   0.105   9.587
  424   2HG   GLN  56          2HG       GLN  56 -20.798  -0.160  10.804
  425   1HE2  GLN  56          1HE2      GLN  56 -21.783   0.566  13.203
  426   2HE2  GLN  56          2HE2      GLN  56 -23.305  -0.267  13.513
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  14.041   8.231  -7.291
    2   1HA   GLY   1          1HA       GLY   1  14.095  11.147  -6.900
    3   2HA   GLY   1          2HA       GLY   1  13.942  10.296  -8.455
    4    H    SER   2           H        SER   2  11.888  11.803  -8.422
    5    HA   SER   2           HA       SER   2   9.654  10.916  -6.808
    6   1HB   SER   2          1HB       SER   2   9.841  13.210  -7.754
    7   2HB   SER   2          2HB       SER   2   9.727  12.540  -9.391
    8    HG   SER   2           HG       SER   2   7.756  12.490  -7.346
    9    H    HIS   3           H        HIS   3  10.429  10.545 -10.334
   10    HA   HIS   3           HA       HIS   3   8.574   8.345 -10.690
   11   1HB   HIS   3          1HB       HIS   3  10.860   9.344 -12.437
   12   2HB   HIS   3          2HB       HIS   3   9.622   8.185 -12.914
   13    HD1  HIS   3           HD1      HIS   3  10.008  10.899 -14.502
   14    HD2  HIS   3           HD2      HIS   3   7.251  10.214 -11.387
   15    HE1  HIS   3           HE1      HIS   3   8.126  12.606 -14.785
   16    H    MET   4           H        MET   4   9.300   7.073  -8.849
   17    HA   MET   4           HA       MET   4  11.627   5.337  -9.498
   18   1HB   MET   4          1HB       MET   4  12.179   7.287  -7.946
   19   2HB   MET   4          2HB       MET   4  11.113   6.548  -6.755
   20   1HG   MET   4          1HG       MET   4  12.976   5.509  -6.058
   21   2HG   MET   4          2HG       MET   4  12.743   4.420  -7.421
   22   1HE   MET   4          1HE       MET   4  13.703   6.077 -10.026
   23   2HE   MET   4          2HE       MET   4  15.407   5.585  -9.995
   24   3HE   MET   4          3HE       MET   4  14.143   4.409  -9.575
   25    H    ALA   5           H        ALA   5  10.628   3.408  -9.828
   26    HA   ALA   5           HA       ALA   5   8.732   2.327  -7.941
   27   1HB   ALA   5          1HB       ALA   5   8.398   1.752 -10.328
   28   2HB   ALA   5          2HB       ALA   5  10.078   1.170 -10.428
   29   3HB   ALA   5          3HB       ALA   5   8.904   0.324  -9.401
   30    H    GLU   6           H        GLU   6   9.540   1.084  -6.280
   31    HA   GLU   6           HA       GLU   6  12.268   0.017  -6.372
   32   1HB   GLU   6          1HB       GLU   6  11.045   1.671  -4.113
   33   2HB   GLU   6          2HB       GLU   6  12.414   0.592  -3.868
   34   1HG   GLU   6          1HG       GLU   6  13.766   1.845  -5.498
   35   2HG   GLU   6          2HG       GLU   6  12.399   2.914  -5.830
   36    HA   PRO   7           HA       PRO   7   9.853  -3.473  -4.718
   37   1HB   PRO   7          1HB       PRO   7  11.595  -4.704  -3.008
   38   2HB   PRO   7          2HB       PRO   7  11.778  -4.768  -4.787
   39   1HG   PRO   7          1HG       PRO   7  13.161  -2.895  -2.840
   40   2HG   PRO   7          2HG       PRO   7  13.904  -3.882  -4.140
   41   1HD   PRO   7          1HD       PRO   7  13.305  -1.261  -4.508
   42   2HD   PRO   7          2HD       PRO   7  13.074  -2.438  -5.827
   43    H    GLN   8           H        GLN   8   9.134  -4.339  -2.491
   44    HA   GLN   8           HA       GLN   8   7.723  -4.042  -0.980
   45   1HB   GLN   8          1HB       GLN   8   9.800  -2.194   0.080
   46   2HB   GLN   8          2HB       GLN   8   8.415  -2.895   0.977
   47   1HG   GLN   8          1HG       GLN   8  10.783  -4.388  -0.203
   48   2HG   GLN   8          2HG       GLN   8  10.439  -4.087   1.497
   49   1HE2  GLN   8          1HE2      GLN   8  10.364  -6.586  -0.684
   50   2HE2  GLN   8          2HE2      GLN   8   9.000  -7.463   0.024
   51    H    ARG   9           H        ARG   9   8.876  -0.667  -1.453
   52    HA   ARG   9           HA       ARG   9   6.551   0.621  -0.719
   53   1HB   ARG   9          1HB       ARG   9   9.012   1.344  -0.841
   54   2HB   ARG   9          2HB       ARG   9   8.717   1.708  -2.518
   55   1HG   ARG   9          1HG       ARG   9   6.931   2.805  -0.512
   56   2HG   ARG   9          2HG       ARG   9   8.512   3.524  -0.610
   57   1HD   ARG   9          1HD       ARG   9   6.343   3.374  -2.716
   58   2HD   ARG   9          2HD       ARG   9   6.965   4.828  -1.923
   59    HE   ARG   9           HE       ARG   9   7.732   3.941  -4.368
   60   1HH1  ARG   9          1HH1      ARG   9   9.904   4.189  -1.471
   61   2HH1  ARG   9          2HH1      ARG   9  11.279   4.389  -2.570
   62   1HH2  ARG   9          1HH2      ARG   9   9.678   4.504  -5.570
   63   2HH2  ARG   9          2HH2      ARG   9  11.147   4.520  -4.572
   64    H    HIS  10           H        HIS  10   4.782  -0.210  -1.705
   65    HA   HIS  10           HA       HIS  10   4.461   0.221  -4.663
   66   1HB   HIS  10          1HB       HIS  10   3.277  -1.989  -2.941
   67   2HB   HIS  10          2HB       HIS  10   3.045  -1.764  -4.672
   68    HD1  HIS  10           HD1      HIS  10   4.433  -4.391  -3.149
   69    HD2  HIS  10           HD2      HIS  10   6.435  -1.242  -5.045
   70    HE1  HIS  10           HE1      HIS  10   6.588  -5.338  -3.990
   71    H    LYS  11           H        LYS  11   2.268   0.784  -5.362
   72    HA   LYS  11           HA       LYS  11   0.658   2.049  -3.198
   73   1HB   LYS  11          1HB       LYS  11   1.237   3.308  -5.896
   74   2HB   LYS  11          2HB       LYS  11   0.306   3.971  -4.553
   75   1HG   LYS  11          1HG       LYS  11   2.237   5.040  -4.054
   76   2HG   LYS  11          2HG       LYS  11   2.611   3.548  -3.222
   77   1HD   LYS  11          1HD       LYS  11   4.539   3.657  -4.395
   78   2HD   LYS  11          2HD       LYS  11   3.613   2.934  -5.705
   79   1HE   LYS  11          1HE       LYS  11   4.182   5.892  -5.230
   80   2HE   LYS  11          2HE       LYS  11   4.900   4.880  -6.491
   81   1HZ   LYS  11          1HZ       LYS  11   2.699   4.671  -7.468
   82   2HZ   LYS  11          2HZ       LYS  11   3.129   6.255  -7.347
   83   3HZ   LYS  11          3HZ       LYS  11   2.050   5.614  -6.284
   84    H    ILE  12           H        ILE  12  -1.044   0.782  -3.073
   85    HA   ILE  12           HA       ILE  12  -2.371  -0.163  -5.586
   86    HB   ILE  12           HB       ILE  12  -2.473  -1.258  -2.753
   87   1HG1  ILE  12          1HG1      ILE  12  -1.296  -2.609  -5.217
   88   2HG1  ILE  12          2HG1      ILE  12  -0.328  -1.690  -4.063
   89   1HG2  ILE  12          1HG2      ILE  12  -3.850  -3.093  -3.798
   90   2HG2  ILE  12          2HG2      ILE  12  -4.645  -1.532  -3.900
   91   3HG2  ILE  12          3HG2      ILE  12  -3.836  -2.191  -5.334
   92   1HD1  ILE  12          1HD1      ILE  12  -0.152  -3.969  -3.405
   93   2HD1  ILE  12          2HD1      ILE  12  -1.152  -3.155  -2.212
   94   3HD1  ILE  12          3HD1      ILE  12  -1.902  -4.207  -3.447
   95    H    LEU  13           H        LEU  13  -3.823   1.460  -6.080
   96    HA   LEU  13           HA       LEU  13  -5.254   2.885  -4.038
   97   1HB   LEU  13          1HB       LEU  13  -4.500   3.787  -6.252
   98   2HB   LEU  13          2HB       LEU  13  -5.806   2.894  -7.023
   99    HG   LEU  13           HG       LEU  13  -6.493   4.667  -4.650
  100   1HD1  LEU  13          1HD1      LEU  13  -4.949   6.047  -5.867
  101   2HD1  LEU  13          2HD1      LEU  13  -6.598   6.632  -6.164
  102   3HD1  LEU  13          3HD1      LEU  13  -5.760   5.682  -7.411
  103   1HD2  LEU  13          1HD2      LEU  13  -8.529   5.123  -5.962
  104   2HD2  LEU  13          2HD2      LEU  13  -8.300   3.382  -5.794
  105   3HD2  LEU  13          3HD2      LEU  13  -7.892   4.178  -7.325
  106    H    CYS  14           H        CYS  14  -6.647   1.820  -2.846
  107    HA   CYS  14           HA       CYS  14  -8.665   0.018  -4.078
  108   1HB   CYS  14          1HB       CYS  14  -7.228  -0.785  -2.104
  109   2HB   CYS  14          2HB       CYS  14  -8.032   0.452  -1.122
  110    HG   CYS  14           HG       CYS  14  -9.332  -2.105  -2.813
  111    H    VAL  15           H        VAL  15 -10.807   0.425  -2.485
  112    HA   VAL  15           HA       VAL  15 -11.203   3.290  -2.128
  113    HB   VAL  15           HB       VAL  15 -13.477   3.185  -3.138
  114   1HG1  VAL  15          1HG1      VAL  15 -11.248   2.663  -5.142
  115   2HG1  VAL  15          2HG1      VAL  15 -12.782   3.513  -5.430
  116   3HG1  VAL  15          3HG1      VAL  15 -11.582   4.214  -4.337
  117   1HG2  VAL  15          1HG2      VAL  15 -12.557   0.578  -4.428
  118   2HG2  VAL  15          2HG2      VAL  15 -13.808   0.724  -3.171
  119   3HG2  VAL  15          3HG2      VAL  15 -14.058   1.463  -4.758
  120    H    CYS  16           H        CYS  16 -12.952   3.799  -0.785
  121    HA   CYS  16           HA       CYS  16 -13.626   1.847   1.308
  122   1HB   CYS  16          1HB       CYS  16 -13.425   4.361   1.753
  123   2HB   CYS  16          2HB       CYS  16 -14.783   4.591   0.658
  124    H    CYS  17           H        CYS  17 -14.819   0.195   0.280
  125    HA   CYS  17           HA       CYS  17 -16.439   0.444  -1.944
  126   1HB   CYS  17          1HB       CYS  17 -15.459  -1.612  -1.006
  127   2HB   CYS  17          2HB       CYS  17 -16.684  -1.627   0.277
  128    HG   CYS  17           HG       CYS  17 -17.145  -3.467  -1.561
  129    H    LYS  18           H        LYS  18 -17.401   1.642   1.194
  130    HA   LYS  18           HA       LYS  18 -20.257   1.490   0.443
  131   1HB   LYS  18          1HB       LYS  18 -20.663   2.285   2.742
  132   2HB   LYS  18          2HB       LYS  18 -19.950   0.676   2.597
  133   1HG   LYS  18          1HG       LYS  18 -17.804   1.468   3.344
  134   2HG   LYS  18          2HG       LYS  18 -18.322   3.156   3.236
  135   1HD   LYS  18          1HD       LYS  18 -18.283   2.328   5.570
  136   2HD   LYS  18          2HD       LYS  18 -19.890   2.867   5.073
  137   1HE   LYS  18          1HE       LYS  18 -20.571   0.520   4.743
  138   2HE   LYS  18          2HE       LYS  18 -18.942  -0.036   5.174
  139   1HZ   LYS  18          1HZ       LYS  18 -20.674   1.570   6.962
  140   2HZ   LYS  18          2HZ       LYS  18 -19.273   0.864   7.371
  141   3HZ   LYS  18          3HZ       LYS  18 -20.593  -0.076   7.029
  142    H    CYS  19           H        CYS  19 -17.588   3.897   0.416
  143    HA   CYS  19           HA       CYS  19 -19.668   5.839  -0.375
  144   1HB   CYS  19          1HB       CYS  19 -18.453   7.475   0.687
  145   2HB   CYS  19          2HB       CYS  19 -18.669   6.195   1.869
  146    H    ASP  20           H        ASP  20 -17.261   3.940  -1.612
  147    HA   ASP  20           HA       ASP  20 -15.859   3.879  -3.257
  148   1HB   ASP  20          1HB       ASP  20 -17.972   4.377  -4.504
  149   2HB   ASP  20          2HB       ASP  20 -17.450   6.060  -4.594
  150    H    GLY  21           H        GLY  21 -15.362   5.784  -1.033
  151   1HA   GLY  21          1HA       GLY  21 -13.897   8.033  -2.099
  152   2HA   GLY  21          2HA       GLY  21 -13.760   7.434  -0.442
  153    H    ARG  22           H        ARG  22 -11.779   8.286  -2.349
  154    HA   ARG  22           HA       ARG  22 -10.297   6.110  -3.517
  155   1HB   ARG  22          1HB       ARG  22 -10.360   8.372  -4.426
  156   2HB   ARG  22          2HB       ARG  22  -9.667   9.048  -2.959
  157   1HG   ARG  22          1HG       ARG  22  -7.969   6.972  -4.254
  158   2HG   ARG  22          2HG       ARG  22  -8.320   8.373  -5.271
  159   1HD   ARG  22          1HD       ARG  22  -7.561   9.854  -3.334
  160   2HD   ARG  22          2HD       ARG  22  -6.962   8.377  -2.557
  161    HE   ARG  22           HE       ARG  22  -6.103   8.861  -5.325
  162   1HH1  ARG  22          1HH1      ARG  22  -5.101   9.424  -1.897
  163   2HH1  ARG  22          2HH1      ARG  22  -3.405   9.172  -2.361
  164   1HH2  ARG  22          1HH2      ARG  22  -3.758   8.801  -5.718
  165   2HH2  ARG  22          2HH2      ARG  22  -2.750   8.865  -4.264
  166    H    ILE  23           H        ILE  23  -9.006   4.632  -2.364
  167    HA   ILE  23           HA       ILE  23  -7.530   5.748  -0.048
  168    HB   ILE  23           HB       ILE  23  -8.567   2.904  -0.136
  169   1HG1  ILE  23          1HG1      ILE  23  -9.763   5.300   1.342
  170   2HG1  ILE  23          2HG1      ILE  23 -10.511   4.420   0.006
  171   1HG2  ILE  23          1HG2      ILE  23  -6.474   3.571   1.207
  172   2HG2  ILE  23          2HG2      ILE  23  -7.518   4.617   2.172
  173   3HG2  ILE  23          3HG2      ILE  23  -7.769   2.854   2.155
  174   1HD1  ILE  23          1HD1      ILE  23 -10.560   2.355   1.348
  175   2HD1  ILE  23          2HD1      ILE  23  -9.913   3.277   2.741
  176   3HD1  ILE  23          3HD1      ILE  23 -11.489   3.665   2.069
  177    H    GLU  24           H        GLU  24  -5.735   6.160  -1.188
  178    HA   GLU  24           HA       GLU  24  -4.296   4.282  -2.862
  179   1HB   GLU  24          1HB       GLU  24  -4.114   6.667  -3.086
  180   2HB   GLU  24          2HB       GLU  24  -3.580   6.836  -1.406
  181   1HG   GLU  24          1HG       GLU  24  -1.604   5.243  -2.250
  182   2HG   GLU  24          2HG       GLU  24  -2.077   5.859  -3.833
  183    H    LEU  25           H        LEU  25  -3.894   2.309  -1.802
  184    HA   LEU  25           HA       LEU  25  -2.684   2.324   0.868
  185   1HB   LEU  25          1HB       LEU  25  -2.856  -0.041  -1.004
  186   2HB   LEU  25          2HB       LEU  25  -2.680  -0.035   0.735
  187    HG   LEU  25           HG       LEU  25  -5.179   0.801  -0.815
  188   1HD1  LEU  25          1HD1      LEU  25  -4.584  -1.691   0.826
  189   2HD1  LEU  25          2HD1      LEU  25  -4.737  -1.601  -0.944
  190   3HD1  LEU  25          3HD1      LEU  25  -6.144  -1.271   0.081
  191   1HD2  LEU  25          1HD2      LEU  25  -4.906   2.007   1.369
  192   2HD2  LEU  25          2HD2      LEU  25  -4.778   0.448   2.193
  193   3HD2  LEU  25          3HD2      LEU  25  -6.283   0.904   1.355
  194    H    THR  26           H        THR  26  -1.098   3.911   0.068
  195    HA   THR  26           HA       THR  26   1.263   2.809  -1.303
  196    HB   THR  26           HB       THR  26   0.850   5.333   0.333
  197    HG1  THR  26           HG1      THR  26   0.529   6.123  -1.675
  198   1HG2  THR  26          1HG2      THR  26   3.403   4.231  -0.978
  199   2HG2  THR  26          2HG2      THR  26   3.175   4.551   0.751
  200   3HG2  THR  26          3HG2      THR  26   3.199   5.896  -0.396
  201    H    VAL  27           H        VAL  27   1.957   0.983  -0.461
  202    HA   VAL  27           HA       VAL  27   2.407   0.776   2.476
  203    HB   VAL  27           HB       VAL  27   1.888  -1.639   2.261
  204   1HG1  VAL  27          1HG1      VAL  27   0.175  -0.062   3.072
  205   2HG1  VAL  27          2HG1      VAL  27  -0.428   0.139   1.417
  206   3HG1  VAL  27          3HG1      VAL  27  -0.542  -1.441   2.218
  207   1HG2  VAL  27          1HG2      VAL  27   2.270  -1.954  -0.175
  208   2HG2  VAL  27          2HG2      VAL  27   0.682  -2.542   0.335
  209   3HG2  VAL  27          3HG2      VAL  27   0.816  -0.999  -0.527
  210    H    GLU  28           H        GLU  28   4.078  -1.062   2.892
  211    HA   GLU  28           HA       GLU  28   6.014  -1.275   0.688
  212   1HB   GLU  28          1HB       GLU  28   6.505  -0.456   3.486
  213   2HB   GLU  28          2HB       GLU  28   7.692  -1.526   2.723
  214   1HG   GLU  28          1HG       GLU  28   8.057   0.026   0.955
  215   2HG   GLU  28          2HG       GLU  28   6.703   1.056   1.460
  216    H    SER  29           H        SER  29   5.441  -3.301  -0.066
  217    HA   SER  29           HA       SER  29   5.744  -5.507   1.810
  218   1HB   SER  29          1HB       SER  29   3.225  -4.779   1.874
  219   2HB   SER  29          2HB       SER  29   3.151  -5.490   0.252
  220    HG   SER  29           HG       SER  29   2.626  -7.090   1.729
  221    H    SER  30           H        SER  30   5.866  -7.535   0.702
  222    HA   SER  30           HA       SER  30   7.350  -7.336  -1.756
  223   1HB   SER  30          1HB       SER  30   6.218  -9.756  -0.262
  224   2HB   SER  30          2HB       SER  30   7.396  -9.851  -1.585
  225    HG   SER  30           HG       SER  30   8.222  -9.821   0.659
  226    H    ALA  31           H        ALA  31   6.946  -8.575  -3.711
  227    HA   ALA  31           HA       ALA  31   4.711  -7.758  -5.099
  228   1HB   ALA  31          1HB       ALA  31   6.433 -10.236  -5.602
  229   2HB   ALA  31          2HB       ALA  31   5.398  -9.439  -6.795
  230   3HB   ALA  31          3HB       ALA  31   6.813  -8.581  -6.142
  231    H    GLU  32           H        GLU  32   5.180 -10.916  -3.482
  232    HA   GLU  32           HA       GLU  32   2.872 -12.095  -4.633
  233   1HB   GLU  32          1HB       GLU  32   5.110 -13.009  -3.429
  234   2HB   GLU  32          2HB       GLU  32   4.012 -13.106  -2.042
  235   1HG   GLU  32          1HG       GLU  32   2.413 -14.388  -3.524
  236   2HG   GLU  32          2HG       GLU  32   3.607 -14.335  -4.816
  237    H    ASP  33           H        ASP  33   3.413 -10.409  -1.535
  238    HA   ASP  33           HA       ASP  33   0.784 -10.874  -0.467
  239   1HB   ASP  33          1HB       ASP  33   2.593 -10.330   1.032
  240   2HB   ASP  33          2HB       ASP  33   2.939  -8.838   0.148
  241    H    LEU  34           H        LEU  34   2.395  -8.217  -2.303
  242    HA   LEU  34           HA       LEU  34   0.110  -6.549  -2.629
  243   1HB   LEU  34          1HB       LEU  34   2.130  -5.659  -3.307
  244   2HB   LEU  34          2HB       LEU  34   2.583  -7.022  -4.298
  245    HG   LEU  34           HG       LEU  34   0.118  -5.482  -5.153
  246   1HD1  LEU  34          1HD1      LEU  34   1.785  -3.723  -4.563
  247   2HD1  LEU  34          2HD1      LEU  34   1.464  -3.793  -6.299
  248   3HD1  LEU  34          3HD1      LEU  34   2.964  -4.489  -5.646
  249   1HD2  LEU  34          1HD2      LEU  34   2.467  -6.773  -6.643
  250   2HD2  LEU  34          2HD2      LEU  34   1.142  -5.895  -7.425
  251   3HD2  LEU  34          3HD2      LEU  34   0.809  -7.389  -6.558
  252    H    ARG  35           H        ARG  35   1.122  -9.379  -4.554
  253    HA   ARG  35           HA       ARG  35  -1.031  -9.264  -6.392
  254   1HB   ARG  35          1HB       ARG  35   1.221 -10.787  -6.265
  255   2HB   ARG  35          2HB       ARG  35   0.107 -11.946  -5.580
  256   1HG   ARG  35          1HG       ARG  35   0.169 -12.390  -7.907
  257   2HG   ARG  35          2HG       ARG  35  -1.343 -11.512  -7.675
  258   1HD   ARG  35          1HD       ARG  35   0.795  -9.599  -8.159
  259   2HD   ARG  35          2HD       ARG  35   0.916 -10.861  -9.369
  260    HE   ARG  35           HE       ARG  35  -1.234  -8.874  -9.013
  261   1HH1  ARG  35          1HH1      ARG  35  -0.284 -11.782 -10.804
  262   2HH1  ARG  35          2HH1      ARG  35  -1.439 -11.521 -12.070
  263   1HH2  ARG  35          1HH2      ARG  35  -2.667  -8.536 -10.520
  264   2HH2  ARG  35          2HH2      ARG  35  -2.886  -9.571 -11.923
  265    H    THR  36           H        THR  36  -0.688 -11.115  -3.377
  266    HA   THR  36           HA       THR  36  -3.220 -12.376  -3.414
  267    HB   THR  36           HB       THR  36  -1.550 -11.484  -1.017
  268    HG1  THR  36           HG1      THR  36  -0.219 -12.682  -2.356
  269   1HG2  THR  36          1HG2      THR  36  -3.763 -12.357  -0.350
  270   2HG2  THR  36          2HG2      THR  36  -2.482 -13.496   0.087
  271   3HG2  THR  36          3HG2      THR  36  -3.497 -13.814  -1.337
  272    H    LEU  37           H        LEU  37  -2.222  -9.137  -2.061
  273    HA   LEU  37           HA       LEU  37  -4.841  -8.901  -0.820
  274   1HB   LEU  37          1HB       LEU  37  -4.026  -7.151   0.369
  275   2HB   LEU  37          2HB       LEU  37  -2.584  -8.093   0.109
  276    HG   LEU  37           HG       LEU  37  -2.268  -6.417  -1.978
  277   1HD1  LEU  37          1HD1      LEU  37  -3.061  -4.117  -1.326
  278   2HD1  LEU  37          2HD1      LEU  37  -3.979  -4.826   0.003
  279   3HD1  LEU  37          3HD1      LEU  37  -4.415  -5.190  -1.673
  280   1HD2  LEU  37          1HD2      LEU  37  -1.701  -5.641   0.909
  281   2HD2  LEU  37          2HD2      LEU  37  -0.896  -4.978  -0.532
  282   3HD2  LEU  37          3HD2      LEU  37  -0.693  -6.682  -0.107
  283    H    GLN  38           H        GLN  38  -3.189  -7.749  -3.839
  284    HA   GLN  38           HA       GLN  38  -5.288  -5.883  -4.391
  285   1HB   GLN  38          1HB       GLN  38  -4.363  -5.547  -6.431
  286   2HB   GLN  38          2HB       GLN  38  -2.992  -5.922  -5.388
  287   1HG   GLN  38          1HG       GLN  38  -2.894  -8.182  -6.343
  288   2HG   GLN  38          2HG       GLN  38  -4.303  -7.879  -7.348
  289   1HE2  GLN  38          1HE2      GLN  38  -1.677  -5.472  -6.844
  290   2HE2  GLN  38          2HE2      GLN  38  -1.117  -5.558  -8.507
  291    H    GLN  39           H        GLN  39  -4.833  -9.435  -4.877
  292    HA   GLN  39           HA       GLN  39  -7.097  -9.788  -6.556
  293   1HB   GLN  39          1HB       GLN  39  -5.417 -11.570  -4.886
  294   2HB   GLN  39          2HB       GLN  39  -6.901 -12.180  -5.679
  295   1HG   GLN  39          1HG       GLN  39  -6.227 -11.267  -7.826
  296   2HG   GLN  39          2HG       GLN  39  -4.834 -10.451  -7.121
  297   1HE2  GLN  39          1HE2      GLN  39  -3.598 -11.394  -8.752
  298   2HE2  GLN  39          2HE2      GLN  39  -3.170 -13.089  -8.539
  299    H    LEU  40           H        LEU  40  -6.684 -10.200  -2.961
  300    HA   LEU  40           HA       LEU  40  -9.411 -10.887  -2.462
  301   1HB   LEU  40          1HB       LEU  40  -7.400  -9.502  -0.636
  302   2HB   LEU  40          2HB       LEU  40  -8.953 -10.129  -0.109
  303    HG   LEU  40           HG       LEU  40  -6.736 -11.851  -1.302
  304   1HD1  LEU  40          1HD1      LEU  40  -7.649 -11.499   1.582
  305   2HD1  LEU  40          2HD1      LEU  40  -6.123 -10.908   0.886
  306   3HD1  LEU  40          3HD1      LEU  40  -6.421 -12.647   1.002
  307   1HD2  LEU  40          1HD2      LEU  40  -8.089 -13.739  -0.426
  308   2HD2  LEU  40          2HD2      LEU  40  -8.883 -12.879  -1.740
  309   3HD2  LEU  40          3HD2      LEU  40  -9.407 -12.601  -0.061
  310    H    PHE  41           H        PHE  41  -7.829  -7.675  -2.587
  311    HA   PHE  41           HA       PHE  41 -10.307  -6.366  -1.764
  312   1HB   PHE  41          1HB       PHE  41  -7.541  -5.342  -2.436
  313   2HB   PHE  41          2HB       PHE  41  -8.901  -4.287  -2.165
  314    HD1  PHE  41           HD1      PHE  41  -9.462  -3.550  -0.017
  315    HD2  PHE  41           HD2      PHE  41  -7.001  -7.066  -0.367
  316    HE1  PHE  41           HE1      PHE  41  -9.018  -3.524   2.427
  317    HE2  PHE  41           HE2      PHE  41  -6.477  -6.952   2.015
  318    HZ   PHE  41           HZ       PHE  41  -7.490  -5.179   3.436
  319    H    LEU  42           H        LEU  42  -8.946  -7.379  -4.835
  320    HA   LEU  42           HA       LEU  42 -10.873  -5.677  -6.308
  321   1HB   LEU  42          1HB       LEU  42  -9.012  -7.961  -7.035
  322   2HB   LEU  42          2HB       LEU  42 -10.257  -7.427  -8.150
  323    HG   LEU  42           HG       LEU  42  -8.191  -5.490  -7.027
  324   1HD1  LEU  42          1HD1      LEU  42  -7.040  -7.305  -8.254
  325   2HD1  LEU  42          2HD1      LEU  42  -6.968  -5.779  -9.147
  326   3HD1  LEU  42          3HD1      LEU  42  -8.108  -7.050  -9.651
  327   1HD2  LEU  42          1HD2      LEU  42 -10.020  -5.353  -9.467
  328   2HD2  LEU  42          2HD2      LEU  42  -8.804  -4.141  -9.005
  329   3HD2  LEU  42          3HD2      LEU  42 -10.205  -4.418  -7.970
  330    H    SER  43           H        SER  43 -10.660  -8.973  -4.970
  331    HA   SER  43           HA       SER  43 -12.931 -10.069  -6.241
  332   1HB   SER  43          1HB       SER  43 -11.268 -11.476  -5.191
  333   2HB   SER  43          2HB       SER  43 -11.463 -10.677  -3.641
  334    HG   SER  43           HG       SER  43 -13.276 -12.422  -4.913
  335    H    THR  44           H        THR  44 -12.650  -9.018  -2.837
  336    HA   THR  44           HA       THR  44 -15.491  -8.486  -2.686
  337    HB   THR  44           HB       THR  44 -15.349 -10.241  -0.658
  338    HG1  THR  44           HG1      THR  44 -13.547 -11.421  -2.528
  339   1HG2  THR  44          1HG2      THR  44 -16.251 -12.001  -2.036
  340   2HG2  THR  44          2HG2      THR  44 -15.636 -11.233  -3.514
  341   3HG2  THR  44          3HG2      THR  44 -16.906 -10.436  -2.561
  342    H    LEU  45           H        LEU  45 -12.359  -8.612  -1.025
  343    HA   LEU  45           HA       LEU  45 -13.360  -7.332   1.372
  344   1HB   LEU  45          1HB       LEU  45 -11.424  -8.936   1.188
  345   2HB   LEU  45          2HB       LEU  45 -10.510  -7.688   0.346
  346    HG   LEU  45           HG       LEU  45 -10.438  -6.308   2.339
  347   1HD1  LEU  45          1HD1      LEU  45 -12.619  -6.737   3.384
  348   2HD1  LEU  45          2HD1      LEU  45 -11.331  -7.128   4.520
  349   3HD1  LEU  45          3HD1      LEU  45 -12.177  -8.438   3.665
  350   1HD2  LEU  45          1HD2      LEU  45  -9.857  -9.214   3.095
  351   2HD2  LEU  45          2HD2      LEU  45  -9.063  -7.759   3.736
  352   3HD2  LEU  45          3HD2      LEU  45  -8.824  -8.235   2.046
  353    H    SER  46           H        SER  46 -12.646  -5.031   2.099
  354    HA   SER  46           HA       SER  46 -11.632  -3.317   0.014
  355   1HB   SER  46          1HB       SER  46 -13.425  -1.687   0.386
  356   2HB   SER  46          2HB       SER  46 -13.977  -3.191  -0.383
  357    HG   SER  46           HG       SER  46 -14.821  -3.836   1.587
  358    H    PHE  47           H        PHE  47 -11.305  -1.109   1.034
  359    HA   PHE  47           HA       PHE  47 -10.014  -1.613   3.677
  360   1HB   PHE  47          1HB       PHE  47  -8.873  -0.858   1.346
  361   2HB   PHE  47          2HB       PHE  47  -9.197   0.716   2.002
  362    HD1  PHE  47           HD1      PHE  47  -8.209   1.347   4.324
  363    HD2  PHE  47           HD2      PHE  47  -7.058  -2.224   2.189
  364    HE1  PHE  47           HE1      PHE  47  -6.233   1.104   5.777
  365    HE2  PHE  47           HE2      PHE  47  -5.096  -2.468   3.661
  366    HZ   PHE  47           HZ       PHE  47  -4.671  -0.805   5.463
  367    H    VAL  48           H        VAL  48 -12.782  -0.965   3.519
  368    HA   VAL  48           HA       VAL  48 -13.842   1.374   3.452
  369    HB   VAL  48           HB       VAL  48 -15.175  -0.427   4.047
  370   1HG1  VAL  48          1HG1      VAL  48 -13.766  -0.657   6.734
  371   2HG1  VAL  48          2HG1      VAL  48 -15.198  -1.578   6.233
  372   3HG1  VAL  48          3HG1      VAL  48 -13.668  -1.809   5.386
  373   1HG2  VAL  48          1HG2      VAL  48 -15.994   1.772   4.886
  374   2HG2  VAL  48          2HG2      VAL  48 -16.618   0.387   5.803
  375   3HG2  VAL  48          3HG2      VAL  48 -15.326   1.392   6.484
  376    H    CYS  49           H        CYS  49 -13.266   3.348   3.891
  377    HA   CYS  49           HA       CYS  49 -10.980   3.846   5.343
  378   1HB   CYS  49          1HB       CYS  49 -11.533   6.271   5.009
  379   2HB   CYS  49          2HB       CYS  49 -11.619   5.302   3.556
  380    HA   PRO  50           HA       PRO  50 -12.101   4.065   9.505
  381   1HB   PRO  50          1HB       PRO  50 -10.519   6.077  10.592
  382   2HB   PRO  50          2HB       PRO  50  -9.968   4.431  10.160
  383   1HG   PRO  50          1HG       PRO  50  -9.763   6.964   8.511
  384   2HG   PRO  50          2HG       PRO  50  -8.497   5.729   8.810
  385   1HD   PRO  50          1HD       PRO  50  -9.930   5.722   6.521
  386   2HD   PRO  50          2HD       PRO  50  -9.546   4.179   7.340
  387    H    TRP  51           H        TRP  51 -12.386   7.119   7.733
  388    HA   TRP  51           HA       TRP  51 -14.104   8.455   9.584
  389   1HB   TRP  51          1HB       TRP  51 -13.025   9.608   7.695
  390   2HB   TRP  51          2HB       TRP  51 -13.992   8.671   6.555
  391    HD1  TRP  51           HD1      TRP  51 -14.349  11.414   9.231
  392    HE1  TRP  51           HE1      TRP  51 -16.603  12.624   8.943
  393    HE3  TRP  51           HE3      TRP  51 -16.317   8.618   5.429
  394    HZ2  TRP  51           HZ2      TRP  51 -18.980  12.356   7.350
  395    HZ3  TRP  51           HZ3      TRP  51 -18.593   9.092   4.566
  396    HH2  TRP  51           HH2      TRP  51 -19.934  10.950   5.527
  397    H    CYS  52           H        CYS  52 -14.904   6.342   6.703
  398    HA   CYS  52           HA       CYS  52 -17.720   6.329   7.313
  399   1HB   CYS  52          1HB       CYS  52 -16.010   4.453   5.623
  400   2HB   CYS  52          2HB       CYS  52 -17.753   4.325   5.853
  401    H    ALA  53           H        ALA  53 -14.993   4.172   8.252
  402    HA   ALA  53           HA       ALA  53 -16.593   2.215   9.555
  403   1HB   ALA  53          1HB       ALA  53 -14.594   1.586  10.762
  404   2HB   ALA  53          2HB       ALA  53 -14.133   2.004   9.098
  405   3HB   ALA  53          3HB       ALA  53 -13.837   3.150  10.434
  406    H    THR  54           H        THR  54 -15.519   5.415  10.682
  407    HA   THR  54           HA       THR  54 -16.542   5.054  13.381
  408    HB   THR  54           HB       THR  54 -15.711   7.602  11.922
  409    HG1  THR  54           HG1      THR  54 -13.983   6.224  11.881
  410   1HG2  THR  54          1HG2      THR  54 -16.907   8.064  14.033
  411   2HG2  THR  54          2HG2      THR  54 -15.181   8.429  14.194
  412   3HG2  THR  54          3HG2      THR  54 -15.837   6.934  14.896
  413    H    ASN  55           H        ASN  55 -17.667   6.779  10.429
  414    HA   ASN  55           HA       ASN  55 -19.947   7.947  11.851
  415   1HB   ASN  55          1HB       ASN  55 -19.054   8.065   8.934
  416   2HB   ASN  55          2HB       ASN  55 -20.508   8.850   9.541
  417   1HD2  ASN  55          1HD2      ASN  55 -16.960   8.736  10.024
  418   2HD2  ASN  55          2HD2      ASN  55 -16.875  10.370  10.674
  419    H    GLN  56           H        GLN  56 -19.408   5.252   9.781
  420    HA   GLN  56           HA       GLN  56 -20.496   3.263   9.867
  421   1HB   GLN  56          1HB       GLN  56 -22.285   4.168  11.330
  422   2HB   GLN  56          2HB       GLN  56 -23.139   4.723   9.869
  423   1HG   GLN  56          1HG       GLN  56 -23.386   2.421   9.087
  424   2HG   GLN  56          2HG       GLN  56 -22.338   1.818  10.377
  425   1HE2  GLN  56          1HE2      GLN  56 -23.220   2.694  12.728
  426   2HE2  GLN  56          2HE2      GLN  56 -24.935   2.340  12.925
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  14.861  13.836   4.216
    2   1HA   GLY   1          1HA       GLY   1  13.873  13.722   2.029
    3   2HA   GLY   1          2HA       GLY   1  14.894  12.306   2.368
    4    H    SER   2           H        SER   2  13.186  11.711   0.415
    5    HA   SER   2           HA       SER   2  11.723   9.561   1.459
    6   1HB   SER   2          1HB       SER   2  10.141  11.908   0.294
    7   2HB   SER   2          2HB       SER   2   9.513  10.251   0.383
    8    HG   SER   2           HG       SER   2  10.598  11.359   2.722
    9    H    HIS   3           H        HIS   3  10.751   8.380  -0.581
   10    HA   HIS   3           HA       HIS   3  11.927   9.252  -3.110
   11   1HB   HIS   3          1HB       HIS   3  12.139   6.349  -2.470
   12   2HB   HIS   3          2HB       HIS   3  13.092   7.303  -3.580
   13    HD1  HIS   3           HD1      HIS   3  13.555   5.340  -0.716
   14    HD2  HIS   3           HD2      HIS   3  14.795   9.206  -1.883
   15    HE1  HIS   3           HE1      HIS   3  15.612   5.953   0.737
   16    H    MET   4           H        MET   4  11.105   7.283  -4.733
   17    HA   MET   4           HA       MET   4   8.726   5.978  -3.990
   18   1HB   MET   4          1HB       MET   4   7.894   8.294  -4.747
   19   2HB   MET   4          2HB       MET   4   8.538   7.920  -6.349
   20   1HG   MET   4          1HG       MET   4   6.965   6.054  -6.567
   21   2HG   MET   4          2HG       MET   4   6.489   6.219  -4.873
   22   1HE   MET   4          1HE       MET   4   6.290   7.694  -8.498
   23   2HE   MET   4          2HE       MET   4   5.323   9.168  -8.264
   24   3HE   MET   4          3HE       MET   4   6.981   9.091  -7.637
   25    H    ALA   5           H        ALA   5   8.172   4.568  -6.065
   26    HA   ALA   5           HA       ALA   5   8.804   2.924  -7.436
   27   1HB   ALA   5          1HB       ALA   5   9.206   4.730  -9.051
   28   2HB   ALA   5          2HB       ALA   5  10.895   4.847  -8.504
   29   3HB   ALA   5          3HB       ALA   5  10.319   3.364  -9.280
   30    H    GLU   6           H        GLU   6   9.329   1.903  -5.361
   31    HA   GLU   6           HA       GLU   6  12.166   1.119  -5.103
   32   1HB   GLU   6          1HB       GLU   6  10.169   1.979  -2.958
   33   2HB   GLU   6          2HB       GLU   6  11.682   1.165  -2.586
   34   1HG   GLU   6          1HG       GLU   6  12.999   3.015  -3.358
   35   2HG   GLU   6          2HG       GLU   6  11.581   3.837  -4.013
   36    HA   PRO   7           HA       PRO   7   9.902  -2.862  -4.191
   37   1HB   PRO   7          1HB       PRO   7  11.617  -4.062  -2.467
   38   2HB   PRO   7          2HB       PRO   7  11.992  -3.940  -4.214
   39   1HG   PRO   7          1HG       PRO   7  12.980  -2.162  -1.964
   40   2HG   PRO   7          2HG       PRO   7  13.938  -2.920  -3.275
   41   1HD   PRO   7          1HD       PRO   7  13.046  -0.328  -3.372
   42   2HD   PRO   7          2HD       PRO   7  13.202  -1.311  -4.848
   43    H    GLN   8           H        GLN   8   9.031  -3.790  -2.092
   44    HA   GLN   8           HA       GLN   8   7.713  -3.522  -0.367
   45   1HB   GLN   8          1HB       GLN   8  10.209  -2.399   0.463
   46   2HB   GLN   8          2HB       GLN   8   8.870  -1.569   1.251
   47   1HG   GLN   8          1HG       GLN   8   9.579  -3.400   2.630
   48   2HG   GLN   8          2HG       GLN   8   7.988  -3.791   2.006
   49   1HE2  GLN   8          1HE2      GLN   8   7.985  -5.319  -0.054
   50   2HE2  GLN   8          2HE2      GLN   8   9.084  -6.660   0.164
   51    H    ARG   9           H        ARG   9   8.618  -0.121  -0.712
   52    HA   ARG   9           HA       ARG   9   6.120   0.913  -0.034
   53   1HB   ARG   9          1HB       ARG   9   8.368   2.066  -0.132
   54   2HB   ARG   9          2HB       ARG   9   8.125   2.275  -1.864
   55   1HG   ARG   9          1HG       ARG   9   7.069   4.184  -1.343
   56   2HG   ARG   9          2HG       ARG   9   5.763   3.179  -0.685
   57   1HD   ARG   9          1HD       ARG   9   6.725   3.212   1.510
   58   2HD   ARG   9          2HD       ARG   9   8.153   4.105   0.944
   59    HE   ARG   9           HE       ARG   9   6.382   5.846   0.228
   60   1HH1  ARG   9          1HH1      ARG   9   6.426   4.055   3.366
   61   2HH1  ARG   9          2HH1      ARG   9   5.451   5.224   4.164
   62   1HH2  ARG   9          1HH2      ARG   9   5.136   7.398   1.362
   63   2HH2  ARG   9          2HH2      ARG   9   4.754   7.171   3.032
   64    H    HIS  10           H        HIS  10   4.289   0.224  -0.989
   65    HA   HIS  10           HA       HIS  10   3.944   0.701  -3.937
   66   1HB   HIS  10          1HB       HIS  10   2.724  -1.553  -2.301
   67   2HB   HIS  10          2HB       HIS  10   2.475  -1.249  -4.014
   68    HD1  HIS  10           HD1      HIS  10   3.789  -3.938  -2.551
   69    HD2  HIS  10           HD2      HIS  10   5.732  -0.898  -4.713
   70    HE1  HIS  10           HE1      HIS  10   5.887  -4.971  -3.534
   71    H    LYS  11           H        LYS  11   2.077   1.892  -4.462
   72    HA   LYS  11           HA       LYS  11   0.141   2.442  -2.265
   73   1HB   LYS  11          1HB       LYS  11   0.714   4.061  -4.770
   74   2HB   LYS  11          2HB       LYS  11  -0.483   4.409  -3.540
   75   1HG   LYS  11          1HG       LYS  11   1.063   5.638  -2.455
   76   2HG   LYS  11          2HG       LYS  11   1.830   4.122  -2.018
   77   1HD   LYS  11          1HD       LYS  11   3.628   5.117  -2.983
   78   2HD   LYS  11          2HD       LYS  11   2.977   4.394  -4.447
   79   1HE   LYS  11          1HE       LYS  11   2.632   7.239  -3.432
   80   2HE   LYS  11          2HE       LYS  11   3.610   6.733  -4.815
   81   1HZ   LYS  11          1HZ       LYS  11   1.416   6.018  -5.817
   82   2HZ   LYS  11          2HZ       LYS  11   1.620   7.645  -5.631
   83   3HZ   LYS  11          3HZ       LYS  11   0.659   6.856  -4.598
   84    H    ILE  12           H        ILE  12  -1.352   0.834  -2.414
   85    HA   ILE  12           HA       ILE  12  -2.355   0.052  -5.098
   86    HB   ILE  12           HB       ILE  12  -2.829  -1.213  -2.381
   87   1HG1  ILE  12          1HG1      ILE  12  -1.086  -2.200  -4.687
   88   2HG1  ILE  12          2HG1      ILE  12  -0.453  -1.370  -3.266
   89   1HG2  ILE  12          1HG2      ILE  12  -3.830  -3.074  -3.661
   90   2HG2  ILE  12          2HG2      ILE  12  -4.715  -1.585  -3.952
   91   3HG2  ILE  12          3HG2      ILE  12  -3.577  -2.184  -5.178
   92   1HD1  ILE  12          1HD1      ILE  12  -0.141  -3.683  -2.867
   93   2HD1  ILE  12          2HD1      ILE  12  -1.442  -3.138  -1.805
   94   3HD1  ILE  12          3HD1      ILE  12  -1.813  -4.073  -3.284
   95    H    LEU  13           H        LEU  13  -3.753   1.514  -5.780
   96    HA   LEU  13           HA       LEU  13  -5.421   3.184  -4.193
   97   1HB   LEU  13          1HB       LEU  13  -4.388   3.491  -6.617
   98   2HB   LEU  13          2HB       LEU  13  -5.846   2.694  -7.160
   99    HG   LEU  13           HG       LEU  13  -6.143   5.098  -7.310
  100   1HD1  LEU  13          1HD1      LEU  13  -8.136   5.468  -6.190
  101   2HD1  LEU  13          2HD1      LEU  13  -7.744   4.320  -4.880
  102   3HD1  LEU  13          3HD1      LEU  13  -8.096   3.736  -6.522
  103   1HD2  LEU  13          1HD2      LEU  13  -4.336   5.579  -5.579
  104   2HD2  LEU  13          2HD2      LEU  13  -5.622   5.435  -4.360
  105   3HD2  LEU  13          3HD2      LEU  13  -5.720   6.655  -5.654
  106    H    CYS  14           H        CYS  14  -6.947   2.236  -2.963
  107    HA   CYS  14           HA       CYS  14  -8.842   0.300  -4.183
  108   1HB   CYS  14          1HB       CYS  14  -7.381  -0.422  -2.239
  109   2HB   CYS  14          2HB       CYS  14  -8.203   0.791  -1.240
  110    HG   CYS  14           HG       CYS  14  -9.138  -1.547  -0.638
  111    H    VAL  15           H        VAL  15 -11.026   0.579  -2.521
  112    HA   VAL  15           HA       VAL  15 -11.667   3.435  -2.270
  113    HB   VAL  15           HB       VAL  15 -13.932   3.046  -3.212
  114   1HG1  VAL  15          1HG1      VAL  15 -12.211   4.202  -4.532
  115   2HG1  VAL  15          2HG1      VAL  15 -11.685   2.651  -5.229
  116   3HG1  VAL  15          3HG1      VAL  15 -13.316   3.279  -5.551
  117   1HG2  VAL  15          1HG2      VAL  15 -14.374   1.188  -4.720
  118   2HG2  VAL  15          2HG2      VAL  15 -12.780   0.479  -4.398
  119   3HG2  VAL  15          3HG2      VAL  15 -14.005   0.560  -3.110
  120    H    CYS  16           H        CYS  16 -13.248   3.912  -0.822
  121    HA   CYS  16           HA       CYS  16 -13.700   2.142   1.415
  122   1HB   CYS  16          1HB       CYS  16 -13.479   4.643   1.607
  123   2HB   CYS  16          2HB       CYS  16 -14.938   4.805   0.621
  124    H    CYS  17           H        CYS  17 -14.949   0.476   1.007
  125    HA   CYS  17           HA       CYS  17 -16.790   0.046  -1.016
  126   1HB   CYS  17          1HB       CYS  17 -15.608  -1.612   0.542
  127   2HB   CYS  17          2HB       CYS  17 -16.906  -1.306   1.709
  128    HG   CYS  17           HG       CYS  17 -18.794  -1.723  -0.225
  129    H    LYS  18           H        LYS  18 -17.438   2.055   1.700
  130    HA   LYS  18           HA       LYS  18 -20.368   1.776   1.318
  131   1HB   LYS  18          1HB       LYS  18 -20.502   2.744   3.610
  132   2HB   LYS  18          2HB       LYS  18 -19.880   1.091   3.485
  133   1HG   LYS  18          1HG       LYS  18 -17.615   1.838   3.911
  134   2HG   LYS  18          2HG       LYS  18 -18.112   3.537   3.776
  135   1HD   LYS  18          1HD       LYS  18 -17.768   2.875   6.093
  136   2HD   LYS  18          2HD       LYS  18 -19.434   3.390   5.793
  137   1HE   LYS  18          1HE       LYS  18 -20.117   1.005   5.754
  138   2HE   LYS  18          2HE       LYS  18 -18.445   0.510   6.057
  139   1HZ   LYS  18          1HZ       LYS  18 -19.947   2.341   7.835
  140   2HZ   LYS  18          2HZ       LYS  18 -18.531   1.621   8.164
  141   3HZ   LYS  18          3HZ       LYS  18 -19.907   0.702   8.080
  142    H    CYS  19           H        CYS  19 -17.740   4.135   0.779
  143    HA   CYS  19           HA       CYS  19 -19.893   5.990   0.027
  144   1HB   CYS  19          1HB       CYS  19 -18.581   7.734   0.756
  145   2HB   CYS  19          2HB       CYS  19 -18.706   6.638   2.114
  146    H    ASP  20           H        ASP  20 -17.516   3.989  -1.221
  147    HA   ASP  20           HA       ASP  20 -16.240   3.821  -2.947
  148   1HB   ASP  20          1HB       ASP  20 -18.465   4.070  -4.055
  149   2HB   ASP  20          2HB       ASP  20 -18.055   5.758  -4.382
  150    H    GLY  21           H        GLY  21 -15.525   5.871  -0.997
  151   1HA   GLY  21          1HA       GLY  21 -14.164   7.956  -2.652
  152   2HA   GLY  21          2HA       GLY  21 -14.144   7.943  -0.905
  153    H    ARG  22           H        ARG  22 -12.031   8.006  -2.882
  154    HA   ARG  22           HA       ARG  22 -10.991   5.307  -2.912
  155   1HB   ARG  22          1HB       ARG  22  -9.630   5.796  -4.578
  156   2HB   ARG  22          2HB       ARG  22 -11.039   6.764  -4.889
  157   1HG   ARG  22          1HG       ARG  22  -9.290   8.056  -5.584
  158   2HG   ARG  22          2HG       ARG  22  -9.673   8.779  -4.015
  159   1HD   ARG  22          1HD       ARG  22  -7.563   6.665  -4.047
  160   2HD   ARG  22          2HD       ARG  22  -7.222   8.112  -5.005
  161    HE   ARG  22           HE       ARG  22  -8.032   8.372  -2.169
  162   1HH1  ARG  22          1HH1      ARG  22  -5.472   8.759  -4.633
  163   2HH1  ARG  22          2HH1      ARG  22  -4.184   8.977  -3.500
  164   1HH2  ARG  22          1HH2      ARG  22  -6.418   9.246  -0.712
  165   2HH2  ARG  22          2HH2      ARG  22  -4.815   9.575  -1.307
  166    H    ILE  23           H        ILE  23  -9.157   4.443  -2.182
  167    HA   ILE  23           HA       ILE  23  -7.840   5.964  -0.033
  168    HB   ILE  23           HB       ILE  23  -8.498   3.001   0.084
  169   1HG1  ILE  23          1HG1      ILE  23 -10.114   5.183   1.464
  170   2HG1  ILE  23          2HG1      ILE  23 -10.647   4.269   0.049
  171   1HG2  ILE  23          1HG2      ILE  23  -7.855   3.204   2.439
  172   2HG2  ILE  23          2HG2      ILE  23  -6.593   3.975   1.486
  173   3HG2  ILE  23          3HG2      ILE  23  -7.792   4.975   2.318
  174   1HD1  ILE  23          1HD1      ILE  23 -10.082   3.074   2.778
  175   2HD1  ILE  23          2HD1      ILE  23 -11.642   3.266   1.972
  176   3HD1  ILE  23          3HD1      ILE  23 -10.451   2.147   1.301
  177    H    GLU  24           H        GLU  24  -5.792   6.241  -0.734
  178    HA   GLU  24           HA       GLU  24  -4.500   4.392  -2.591
  179   1HB   GLU  24          1HB       GLU  24  -4.393   6.790  -2.752
  180   2HB   GLU  24          2HB       GLU  24  -3.593   6.942  -1.181
  181   1HG   GLU  24          1HG       GLU  24  -1.638   5.779  -2.067
  182   2HG   GLU  24          2HG       GLU  24  -2.505   5.408  -3.572
  183    H    LEU  25           H        LEU  25  -4.241   2.405  -1.523
  184    HA   LEU  25           HA       LEU  25  -3.481   2.301   1.261
  185   1HB   LEU  25          1HB       LEU  25  -3.385   0.031  -0.735
  186   2HB   LEU  25          2HB       LEU  25  -3.384  -0.093   1.007
  187    HG   LEU  25           HG       LEU  25  -5.713   0.902  -0.699
  188   1HD1  LEU  25          1HD1      LEU  25  -5.237  -1.757   0.728
  189   2HD1  LEU  25          2HD1      LEU  25  -5.276  -1.488  -1.027
  190   3HD1  LEU  25          3HD1      LEU  25  -6.747  -1.273  -0.064
  191   1HD2  LEU  25          1HD2      LEU  25  -5.704   1.858   1.615
  192   2HD2  LEU  25          2HD2      LEU  25  -5.612   0.217   2.283
  193   3HD2  LEU  25          3HD2      LEU  25  -7.043   0.732   1.360
  194    H    THR  26           H        THR  26  -1.658   3.614   1.195
  195    HA   THR  26           HA       THR  26   0.792   2.873  -0.185
  196    HB   THR  26           HB       THR  26   0.340   4.796   2.135
  197    HG1  THR  26           HG1      THR  26  -0.865   5.273   0.230
  198   1HG2  THR  26          1HG2      THR  26   2.442   5.844   1.266
  199   2HG2  THR  26          2HG2      THR  26   2.636   4.490   0.132
  200   3HG2  THR  26          3HG2      THR  26   2.720   4.204   1.878
  201    H    VAL  27           H        VAL  27   1.364   0.835   0.292
  202    HA   VAL  27           HA       VAL  27   1.810   0.095   3.143
  203    HB   VAL  27           HB       VAL  27   1.588  -2.244   2.424
  204   1HG1  VAL  27          1HG1      VAL  27  -0.883  -0.631   1.672
  205   2HG1  VAL  27          2HG1      VAL  27  -0.831  -2.320   2.215
  206   3HG1  VAL  27          3HG1      VAL  27  -0.374  -1.018   3.330
  207   1HG2  VAL  27          1HG2      VAL  27   0.638  -2.885   0.264
  208   2HG2  VAL  27          2HG2      VAL  27   0.639  -1.198  -0.282
  209   3HG2  VAL  27          3HG2      VAL  27   2.174  -2.042   0.021
  210    H    GLU  28           H        GLU  28   3.706  -1.461   3.324
  211    HA   GLU  28           HA       GLU  28   5.685  -1.117   1.174
  212   1HB   GLU  28          1HB       GLU  28   6.068  -0.745   4.099
  213   2HB   GLU  28          2HB       GLU  28   7.400  -1.378   3.128
  214   1HG   GLU  28          1HG       GLU  28   7.505   0.597   1.811
  215   2HG   GLU  28          2HG       GLU  28   5.919   1.155   2.356
  216    H    SER  29           H        SER  29   5.284  -3.179   0.236
  217    HA   SER  29           HA       SER  29   5.570  -5.524   2.004
  218   1HB   SER  29          1HB       SER  29   3.055  -4.869   1.846
  219   2HB   SER  29          2HB       SER  29   3.166  -5.419   0.161
  220    HG   SER  29           HG       SER  29   2.538  -7.155   1.503
  221    H    SER  30           H        SER  30   5.478  -7.594   0.563
  222    HA   SER  30           HA       SER  30   7.347  -7.022  -1.702
  223   1HB   SER  30          1HB       SER  30   6.653  -9.551  -0.145
  224   2HB   SER  30          2HB       SER  30   7.702  -9.537  -1.577
  225    HG   SER  30           HG       SER  30   8.782  -9.292   0.517
  226    H    ALA  31           H        ALA  31   7.130  -8.475  -3.622
  227    HA   ALA  31           HA       ALA  31   4.958  -7.681  -5.100
  228   1HB   ALA  31          1HB       ALA  31   6.680 -10.208  -5.473
  229   2HB   ALA  31          2HB       ALA  31   5.708  -9.453  -6.736
  230   3HB   ALA  31          3HB       ALA  31   7.111  -8.585  -6.058
  231    H    GLU  32           H        GLU  32   5.384 -10.879  -3.592
  232    HA   GLU  32           HA       GLU  32   3.112 -12.036  -4.813
  233   1HB   GLU  32          1HB       GLU  32   5.072 -13.201  -3.858
  234   2HB   GLU  32          2HB       GLU  32   4.562 -12.770  -2.223
  235   1HG   GLU  32          1HG       GLU  32   2.709 -14.270  -4.129
  236   2HG   GLU  32          2HG       GLU  32   4.004 -15.084  -3.266
  237    H    ASP  33           H        ASP  33   3.528 -10.688  -1.468
  238    HA   ASP  33           HA       ASP  33   0.811 -10.964  -0.699
  239   1HB   ASP  33          1HB       ASP  33   2.477 -10.478   0.951
  240   2HB   ASP  33          2HB       ASP  33   2.967  -9.002   0.110
  241    H    LEU  34           H        LEU  34   2.502  -8.238  -2.426
  242    HA   LEU  34           HA       LEU  34   0.138  -6.663  -2.734
  243   1HB   LEU  34          1HB       LEU  34   2.116  -5.597  -3.193
  244   2HB   LEU  34          2HB       LEU  34   2.721  -6.845  -4.259
  245    HG   LEU  34           HG       LEU  34   0.190  -5.453  -5.173
  246   1HD1  LEU  34          1HD1      LEU  34   1.596  -3.568  -4.300
  247   2HD1  LEU  34          2HD1      LEU  34   1.380  -3.527  -6.053
  248   3HD1  LEU  34          3HD1      LEU  34   2.916  -4.088  -5.366
  249   1HD2  LEU  34          1HD2      LEU  34   1.454  -5.602  -7.365
  250   2HD2  LEU  34          2HD2      LEU  34   1.365  -7.196  -6.582
  251   3HD2  LEU  34          3HD2      LEU  34   2.854  -6.254  -6.512
  252    H    ARG  35           H        ARG  35   1.259  -9.472  -4.643
  253    HA   ARG  35           HA       ARG  35  -0.768  -9.213  -6.656
  254   1HB   ARG  35          1HB       ARG  35   1.549 -10.603  -6.558
  255   2HB   ARG  35          2HB       ARG  35   0.520 -11.868  -5.917
  256   1HG   ARG  35          1HG       ARG  35   0.671 -12.275  -8.214
  257   2HG   ARG  35          2HG       ARG  35  -0.938 -11.582  -8.009
  258   1HD   ARG  35          1HD       ARG  35   1.142  -9.519  -8.484
  259   2HD   ARG  35          2HD       ARG  35   1.140 -10.734  -9.745
  260    HE   ARG  35           HE       ARG  35  -0.839  -8.663  -9.251
  261   1HH1  ARG  35          1HH1      ARG  35  -0.487 -11.850 -10.744
  262   2HH1  ARG  35          2HH1      ARG  35  -1.853 -11.652 -11.794
  263   1HH2  ARG  35          1HH2      ARG  35  -2.567  -8.396 -10.493
  264   2HH2  ARG  35          2HH2      ARG  35  -3.096  -9.574 -11.680
  265    H    THR  36           H        THR  36  -0.515 -11.257  -3.738
  266    HA   THR  36           HA       THR  36  -3.003 -12.598  -4.079
  267    HB   THR  36           HB       THR  36  -1.140 -12.048  -1.803
  268    HG1  THR  36           HG1      THR  36  -0.078 -13.863  -2.579
  269   1HG2  THR  36          1HG2      THR  36  -3.403 -14.099  -1.905
  270   2HG2  THR  36          2HG2      THR  36  -3.262 -12.734  -0.770
  271   3HG2  THR  36          3HG2      THR  36  -2.113 -14.076  -0.681
  272    H    LEU  37           H        LEU  37  -2.079  -9.496  -2.362
  273    HA   LEU  37           HA       LEU  37  -4.704  -9.430  -1.107
  274   1HB   LEU  37          1HB       LEU  37  -4.002  -7.692   0.142
  275   2HB   LEU  37          2HB       LEU  37  -2.489  -8.499  -0.155
  276    HG   LEU  37           HG       LEU  37  -2.284  -6.719  -2.153
  277   1HD1  LEU  37          1HD1      LEU  37  -4.570  -5.716  -1.864
  278   2HD1  LEU  37          2HD1      LEU  37  -3.322  -4.534  -1.494
  279   3HD1  LEU  37          3HD1      LEU  37  -4.186  -5.339  -0.181
  280   1HD2  LEU  37          1HD2      LEU  37  -1.912  -5.980   0.779
  281   2HD2  LEU  37          2HD2      LEU  37  -1.118  -5.197  -0.607
  282   3HD2  LEU  37          3HD2      LEU  37  -0.766  -6.883  -0.221
  283    H    GLN  38           H        GLN  38  -3.029  -8.011  -4.014
  284    HA   GLN  38           HA       GLN  38  -5.197  -6.305  -4.575
  285   1HB   GLN  38          1HB       GLN  38  -4.335  -5.868  -6.617
  286   2HB   GLN  38          2HB       GLN  38  -2.968  -6.127  -5.541
  287   1HG   GLN  38          1HG       GLN  38  -2.746  -8.401  -6.504
  288   2HG   GLN  38          2HG       GLN  38  -4.034  -8.118  -7.654
  289   1HE2  GLN  38          1HE2      GLN  38  -1.128  -6.425  -6.438
  290   2HE2  GLN  38          2HE2      GLN  38  -0.483  -5.985  -8.028
  291    H    GLN  39           H        GLN  39  -4.593  -9.871  -5.474
  292    HA   GLN  39           HA       GLN  39  -6.886  -9.837  -7.171
  293   1HB   GLN  39          1HB       GLN  39  -6.818 -12.073  -7.416
  294   2HB   GLN  39          2HB       GLN  39  -5.278 -11.295  -7.611
  295   1HG   GLN  39          1HG       GLN  39  -4.837 -11.952  -5.207
  296   2HG   GLN  39          2HG       GLN  39  -6.233 -13.055  -5.414
  297   1HE2  GLN  39          1HE2      GLN  39  -3.118 -12.024  -6.778
  298   2HE2  GLN  39          2HE2      GLN  39  -2.812 -13.454  -7.768
  299    H    LEU  40           H        LEU  40  -6.378 -10.568  -3.714
  300    HA   LEU  40           HA       LEU  40  -8.937 -11.636  -3.521
  301   1HB   LEU  40          1HB       LEU  40  -7.111 -10.372  -1.433
  302   2HB   LEU  40          2HB       LEU  40  -8.676 -11.042  -0.973
  303    HG   LEU  40           HG       LEU  40  -6.513 -12.684  -2.364
  304   1HD1  LEU  40          1HD1      LEU  40  -7.226 -12.517   0.596
  305   2HD1  LEU  40          2HD1      LEU  40  -5.743 -11.889  -0.158
  306   3HD1  LEU  40          3HD1      LEU  40  -6.049 -13.629  -0.142
  307   1HD2  LEU  40          1HD2      LEU  40  -9.088 -13.492  -0.959
  308   2HD2  LEU  40          2HD2      LEU  40  -7.826 -14.609  -1.528
  309   3HD2  LEU  40          3HD2      LEU  40  -8.727 -13.644  -2.694
  310    H    PHE  41           H        PHE  41  -7.762  -8.286  -3.163
  311    HA   PHE  41           HA       PHE  41 -10.296  -7.145  -2.307
  312   1HB   PHE  41          1HB       PHE  41  -7.676  -6.001  -3.332
  313   2HB   PHE  41          2HB       PHE  41  -9.089  -5.002  -3.099
  314    HD1  PHE  41           HD1      PHE  41  -8.628  -3.557  -1.340
  315    HD2  PHE  41           HD2      PHE  41  -7.683  -7.735  -0.822
  316    HE1  PHE  41           HE1      PHE  41  -7.944  -3.134   0.990
  317    HE2  PHE  41           HE2      PHE  41  -7.031  -7.302   1.494
  318    HZ   PHE  41           HZ       PHE  41  -7.151  -4.999   2.422
  319    H    LEU  42           H        LEU  42  -8.790  -7.774  -5.489
  320    HA   LEU  42           HA       LEU  42 -10.874  -6.411  -6.985
  321   1HB   LEU  42          1HB       LEU  42  -8.826  -8.564  -7.614
  322   2HB   LEU  42          2HB       LEU  42 -10.008  -8.060  -8.813
  323    HG   LEU  42           HG       LEU  42  -8.146  -6.059  -7.465
  324   1HD1  LEU  42          1HD1      LEU  42  -6.720  -6.224  -9.472
  325   2HD1  LEU  42          2HD1      LEU  42  -7.723  -7.558 -10.089
  326   3HD1  LEU  42          3HD1      LEU  42  -6.773  -7.761  -8.599
  327   1HD2  LEU  42          1HD2      LEU  42 -10.121  -5.074  -8.576
  328   2HD2  LEU  42          2HD2      LEU  42  -9.738  -5.956 -10.068
  329   3HD2  LEU  42          3HD2      LEU  42  -8.644  -4.692  -9.465
  330    H    SER  43           H        SER  43 -10.459  -9.708  -5.734
  331    HA   SER  43           HA       SER  43 -12.697 -10.894  -7.025
  332   1HB   SER  43          1HB       SER  43 -10.883 -12.241  -6.248
  333   2HB   SER  43          2HB       SER  43 -10.979 -11.598  -4.615
  334    HG   SER  43           HG       SER  43 -12.720 -12.782  -4.167
  335    H    THR  44           H        THR  44 -12.317 -10.228  -3.537
  336    HA   THR  44           HA       THR  44 -15.181  -9.938  -3.222
  337    HB   THR  44           HB       THR  44 -14.765 -11.886  -1.396
  338    HG1  THR  44           HG1      THR  44 -13.219 -13.261  -1.934
  339   1HG2  THR  44          1HG2      THR  44 -16.382 -11.957  -3.252
  340   2HG2  THR  44          2HG2      THR  44 -15.573 -13.521  -2.983
  341   3HG2  THR  44          3HG2      THR  44 -15.090 -12.491  -4.351
  342    H    LEU  45           H        LEU  45 -12.025  -9.669  -1.860
  343    HA   LEU  45           HA       LEU  45 -12.928  -8.550   0.704
  344   1HB   LEU  45          1HB       LEU  45 -10.394  -9.331  -0.427
  345   2HB   LEU  45          2HB       LEU  45 -10.283  -7.624  -0.085
  346    HG   LEU  45           HG       LEU  45  -9.428  -8.948   1.735
  347   1HD1  LEU  45          1HD1      LEU  45 -10.608  -7.989   3.620
  348   2HD1  LEU  45          2HD1      LEU  45 -12.041  -7.664   2.636
  349   3HD1  LEU  45          3HD1      LEU  45 -10.509  -6.804   2.314
  350   1HD2  LEU  45          1HD2      LEU  45 -12.198 -10.179   2.053
  351   2HD2  LEU  45          2HD2      LEU  45 -10.777 -10.463   3.076
  352   3HD2  LEU  45          3HD2      LEU  45 -10.767 -10.992   1.386
  353    H    SER  46           H        SER  46 -12.317  -6.159   1.218
  354    HA   SER  46           HA       SER  46 -12.075  -4.226  -0.798
  355   1HB   SER  46          1HB       SER  46 -14.879  -4.672   0.331
  356   2HB   SER  46          2HB       SER  46 -14.346  -3.125  -0.359
  357    HG   SER  46           HG       SER  46 -13.903  -5.470  -1.841
  358    H    PHE  47           H        PHE  47 -12.798  -1.924   0.577
  359    HA   PHE  47           HA       PHE  47 -11.738  -2.284   3.290
  360   1HB   PHE  47          1HB       PHE  47 -10.095  -1.750   1.110
  361   2HB   PHE  47          2HB       PHE  47 -10.482  -0.138   1.663
  362    HD1  PHE  47           HD1      PHE  47  -9.502  -3.529   3.056
  363    HD2  PHE  47           HD2      PHE  47  -8.941   0.748   3.204
  364    HE1  PHE  47           HE1      PHE  47  -7.775  -3.808   4.813
  365    HE2  PHE  47           HE2      PHE  47  -7.212   0.459   4.966
  366    HZ   PHE  47           HZ       PHE  47  -6.629  -1.821   5.771
  367    H    VAL  48           H        VAL  48 -11.573   0.140   4.231
  368    HA   VAL  48           HA       VAL  48 -13.814   1.780   3.473
  369    HB   VAL  48           HB       VAL  48 -14.995   0.258   4.841
  370   1HG1  VAL  48          1HG1      VAL  48 -13.207  -0.892   6.039
  371   2HG1  VAL  48          2HG1      VAL  48 -12.893   0.567   7.013
  372   3HG1  VAL  48          3HG1      VAL  48 -14.434  -0.307   7.162
  373   1HG2  VAL  48          1HG2      VAL  48 -15.511   2.634   5.258
  374   2HG2  VAL  48          2HG2      VAL  48 -15.806   1.619   6.677
  375   3HG2  VAL  48          3HG2      VAL  48 -14.366   2.646   6.617
  376    H    CYS  49           H        CYS  49 -13.464   3.941   4.075
  377    HA   CYS  49           HA       CYS  49 -10.689   4.541   4.773
  378   1HB   CYS  49          1HB       CYS  49 -11.342   6.857   4.262
  379   2HB   CYS  49          2HB       CYS  49 -11.766   5.757   2.965
  380    HA   PRO  50           HA       PRO  50 -11.317   5.104   9.043
  381   1HB   PRO  50          1HB       PRO  50  -9.795   7.307   9.748
  382   2HB   PRO  50          2HB       PRO  50  -9.142   5.690   9.350
  383   1HG   PRO  50          1HG       PRO  50  -9.428   8.090   7.521
  384   2HG   PRO  50          2HG       PRO  50  -8.002   7.022   7.735
  385   1HD   PRO  50          1HD       PRO  50  -9.698   6.666   5.667
  386   2HD   PRO  50          2HD       PRO  50  -9.047   5.249   6.541
  387    H    TRP  51           H        TRP  51 -12.027   7.943   7.069
  388    HA   TRP  51           HA       TRP  51 -13.580   9.465   8.900
  389   1HB   TRP  51          1HB       TRP  51 -12.984  10.469   6.826
  390   2HB   TRP  51          2HB       TRP  51 -13.582   9.103   5.891
  391    HD1  TRP  51           HD1      TRP  51 -15.671  10.893   8.577
  392    HE1  TRP  51           HE1      TRP  51 -17.842  11.653   7.557
  393    HE3  TRP  51           HE3      TRP  51 -14.603   9.872   3.669
  394    HZ2  TRP  51           HZ2      TRP  51 -18.927  12.038   4.857
  395    HZ3  TRP  51           HZ3      TRP  51 -16.234  10.447   1.896
  396    HH2  TRP  51           HH2      TRP  51 -18.391  11.532   2.475
  397    H    CYS  52           H        CYS  52 -14.716   7.081   6.424
  398    HA   CYS  52           HA       CYS  52 -17.360   6.890   7.500
  399   1HB   CYS  52          1HB       CYS  52 -15.756   5.006   5.736
  400   2HB   CYS  52          2HB       CYS  52 -17.480   4.901   6.103
  401    H    ALA  53           H        ALA  53 -14.410   4.931   8.119
  402    HA   ALA  53           HA       ALA  53 -15.659   3.008   9.790
  403   1HB   ALA  53          1HB       ALA  53 -12.903   4.211  10.232
  404   2HB   ALA  53          2HB       ALA  53 -13.481   2.627  10.763
  405   3HB   ALA  53          3HB       ALA  53 -13.262   2.943   9.029
  406    H    THR  54           H        THR  54 -14.665   6.359  10.528
  407    HA   THR  54           HA       THR  54 -15.342   6.151  13.350
  408    HB   THR  54           HB       THR  54 -14.828   8.631  11.651
  409    HG1  THR  54           HG1      THR  54 -13.049   7.332  11.447
  410   1HG2  THR  54          1HG2      THR  54 -14.501   8.137  14.642
  411   2HG2  THR  54          2HG2      THR  54 -15.758   9.144  13.890
  412   3HG2  THR  54          3HG2      THR  54 -14.056   9.621  13.775
  413    H    ASN  55           H        ASN  55 -16.901   7.561  10.427
  414    HA   ASN  55           HA       ASN  55 -19.138   8.711  11.928
  415   1HB   ASN  55          1HB       ASN  55 -18.594   8.318   8.947
  416   2HB   ASN  55          2HB       ASN  55 -20.092   9.004   9.565
  417   1HD2  ASN  55          1HD2      ASN  55 -17.085   9.662  11.243
  418   2HD2  ASN  55          2HD2      ASN  55 -17.000  11.349  10.783
  419    H    GLN  56           H        GLN  56 -18.493   5.769  10.424
  420    HA   GLN  56           HA       GLN  56 -19.384   3.726  10.405
  421   1HB   GLN  56          1HB       GLN  56 -20.365   4.020  12.604
  422   2HB   GLN  56          2HB       GLN  56 -21.786   4.808  11.922
  423   1HG   GLN  56          1HG       GLN  56 -21.279   2.216  10.615
  424   2HG   GLN  56          2HG       GLN  56 -21.367   2.049  12.359
  425   1HE2  GLN  56          1HE2      GLN  56 -23.179   4.189  10.014
  426   2HE2  GLN  56          2HE2      GLN  56 -24.770   3.599  10.545
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1  11.681   5.052  -6.772
    2   1HA   GLY   1          1HA       GLY   1  10.982   7.795  -5.991
    3   2HA   GLY   1          2HA       GLY   1  11.512   6.477  -4.911
    4    H    SER   2           H        SER   2  13.405   7.742  -4.233
    5    HA   SER   2           HA       SER   2  15.613   7.584  -6.198
    6   1HB   SER   2          1HB       SER   2  16.452   9.758  -5.276
    7   2HB   SER   2          2HB       SER   2  14.962   9.894  -6.226
    8    HG   SER   2           HG       SER   2  14.768  11.087  -4.325
    9    H    HIS   3           H        HIS   3  15.702   8.871  -2.932
   10    HA   HIS   3           HA       HIS   3  17.378   6.651  -1.950
   11   1HB   HIS   3          1HB       HIS   3  17.856   8.931  -1.196
   12   2HB   HIS   3          2HB       HIS   3  16.223   9.093  -0.546
   13    HD1  HIS   3           HD1      HIS   3  15.676   7.081   1.398
   14    HD2  HIS   3           HD2      HIS   3  19.660   8.120   0.539
   15    HE1  HIS   3           HE1      HIS   3  17.110   6.282   3.406
   16    H    MET   4           H        MET   4  15.992   4.867  -2.273
   17    HA   MET   4           HA       MET   4  13.920   4.563  -0.199
   18   1HB   MET   4          1HB       MET   4  12.399   3.465  -1.759
   19   2HB   MET   4          2HB       MET   4  12.706   5.128  -2.261
   20   1HG   MET   4          1HG       MET   4  14.415   4.233  -3.908
   21   2HG   MET   4          2HG       MET   4  13.910   2.604  -3.454
   22   1HE   MET   4          1HE       MET   4  13.341   1.785  -5.775
   23   2HE   MET   4          2HE       MET   4  12.452   2.721  -6.993
   24   3HE   MET   4          3HE       MET   4  14.027   3.303  -6.397
   25    H    ALA   5           H        ALA   5  13.779   2.456   0.567
   26    HA   ALA   5           HA       ALA   5  15.625   0.430  -0.332
   27   1HB   ALA   5          1HB       ALA   5  16.789   0.381   1.898
   28   2HB   ALA   5          2HB       ALA   5  16.980   1.977   1.135
   29   3HB   ALA   5          3HB       ALA   5  15.781   1.743   2.431
   30    H    GLU   6           H        GLU   6  12.790   0.800   0.063
   31    HA   GLU   6           HA       GLU   6  12.052  -0.793   2.426
   32   1HB   GLU   6          1HB       GLU   6  10.269   0.395   0.257
   33   2HB   GLU   6          2HB       GLU   6   9.730  -0.286   1.788
   34   1HG   GLU   6          1HG       GLU   6   9.769   1.884   2.465
   35   2HG   GLU   6          2HG       GLU   6  11.448   1.530   2.802
   36    HA   PRO   7           HA       PRO   7  11.390  -4.667   0.177
   37   1HB   PRO   7          1HB       PRO   7   9.549  -5.936   1.701
   38   2HB   PRO   7          2HB       PRO   7  11.208  -5.621   2.282
   39   1HG   PRO   7          1HG       PRO   7   8.716  -3.979   2.842
   40   2HG   PRO   7          2HG       PRO   7   9.918  -4.601   4.019
   41   1HD   PRO   7          1HD       PRO   7  10.036  -2.065   3.043
   42   2HD   PRO   7          2HD       PRO   7  11.522  -2.999   3.373
   43    H    GLN   8           H        GLN   8  10.597  -3.083  -1.498
   44    HA   GLN   8           HA       GLN   8   9.270  -2.733  -3.240
   45   1HB   GLN   8          1HB       GLN   8   9.554  -5.072  -3.447
   46   2HB   GLN   8          2HB       GLN   8   8.249  -5.438  -2.336
   47   1HG   GLN   8          1HG       GLN   8   6.608  -4.584  -3.917
   48   2HG   GLN   8          2HG       GLN   8   7.912  -3.972  -4.965
   49   1HE2  GLN   8          1HE2      GLN   8   6.534  -5.133  -6.486
   50   2HE2  GLN   8          2HE2      GLN   8   6.912  -6.842  -6.805
   51    H    ARG   9           H        ARG   9   8.717  -0.891  -1.826
   52    HA   ARG   9           HA       ARG   9   6.049  -0.543  -0.790
   53   1HB   ARG   9          1HB       ARG   9   8.019   0.833  -0.111
   54   2HB   ARG   9          2HB       ARG   9   8.049   1.545  -1.719
   55   1HG   ARG   9          1HG       ARG   9   5.386   1.786  -0.725
   56   2HG   ARG   9          2HG       ARG   9   6.477   2.242   0.580
   57   1HD   ARG   9          1HD       ARG   9   6.609   3.405  -2.219
   58   2HD   ARG   9          2HD       ARG   9   5.773   4.146  -0.838
   59    HE   ARG   9           HE       ARG   9   8.634   3.449  -0.435
   60   1HH1  ARG   9          1HH1      ARG   9   6.367   6.105  -1.001
   61   2HH1  ARG   9          2HH1      ARG   9   7.509   7.324  -0.514
   62   1HH2  ARG   9          1HH2      ARG   9   9.992   4.826   0.133
   63   2HH2  ARG   9          2HH2      ARG   9   9.757   6.579   0.186
   64    H    HIS  10           H        HIS  10   4.451  -0.992  -2.116
   65    HA   HIS  10           HA       HIS  10   4.479   0.230  -4.892
   66   1HB   HIS  10          1HB       HIS  10   2.900  -2.059  -3.756
   67   2HB   HIS  10          2HB       HIS  10   2.355  -1.180  -5.161
   68    HD1  HIS  10           HD1      HIS  10   2.845  -2.466  -7.254
   69    HD2  HIS  10           HD2      HIS  10   6.037  -2.469  -4.484
   70    HE1  HIS  10           HE1      HIS  10   4.781  -3.699  -8.367
   71    H    LYS  11           H        LYS  11   2.266   1.069  -5.603
   72    HA   LYS  11           HA       LYS  11   0.752   2.273  -3.368
   73   1HB   LYS  11          1HB       LYS  11   1.135   3.510  -6.109
   74   2HB   LYS  11          2HB       LYS  11   0.177   4.138  -4.761
   75   1HG   LYS  11          1HG       LYS  11   2.689   3.728  -3.605
   76   2HG   LYS  11          2HG       LYS  11   3.115   4.231  -5.217
   77   1HD   LYS  11          1HD       LYS  11   1.232   5.775  -3.362
   78   2HD   LYS  11          2HD       LYS  11   2.987   6.046  -3.477
   79   1HE   LYS  11          1HE       LYS  11   2.764   6.493  -5.892
   80   2HE   LYS  11          2HE       LYS  11   1.007   6.235  -5.756
   81   1HZ   LYS  11          1HZ       LYS  11   1.685   8.594  -5.723
   82   2HZ   LYS  11          2HZ       LYS  11   2.384   8.352  -4.240
   83   3HZ   LYS  11          3HZ       LYS  11   0.756   8.133  -4.481
   84    H    ILE  12           H        ILE  12  -1.194   1.545  -3.223
   85    HA   ILE  12           HA       ILE  12  -2.534   0.248  -5.554
   86    HB   ILE  12           HB       ILE  12  -2.674  -0.783  -2.699
   87   1HG1  ILE  12          1HG1      ILE  12  -1.198  -2.018  -5.073
   88   2HG1  ILE  12          2HG1      ILE  12  -0.426  -1.239  -3.686
   89   1HG2  ILE  12          1HG2      ILE  12  -3.696  -2.025  -5.304
   90   2HG2  ILE  12          2HG2      ILE  12  -4.002  -2.596  -3.647
   91   3HG2  ILE  12          3HG2      ILE  12  -4.718  -1.096  -4.197
   92   1HD1  ILE  12          1HD1      ILE  12  -0.361  -3.608  -3.339
   93   2HD1  ILE  12          2HD1      ILE  12  -1.483  -2.888  -2.162
   94   3HD1  ILE  12          3HD1      ILE  12  -2.103  -3.764  -3.577
   95    H    LEU  13           H        LEU  13  -3.999   1.772  -6.017
   96    HA   LEU  13           HA       LEU  13  -5.523   3.263  -4.096
   97   1HB   LEU  13          1HB       LEU  13  -4.994   3.998  -6.408
   98   2HB   LEU  13          2HB       LEU  13  -6.081   2.769  -7.047
   99    HG   LEU  13           HG       LEU  13  -7.050   4.843  -5.027
  100   1HD1  LEU  13          1HD1      LEU  13  -5.958   6.100  -6.784
  101   2HD1  LEU  13          2HD1      LEU  13  -7.715   6.241  -6.992
  102   3HD1  LEU  13          3HD1      LEU  13  -6.792   5.157  -8.044
  103   1HD2  LEU  13          1HD2      LEU  13  -9.226   4.546  -6.229
  104   2HD2  LEU  13          2HD2      LEU  13  -8.669   3.043  -5.512
  105   3HD2  LEU  13          3HD2      LEU  13  -8.476   3.303  -7.253
  106    H    CYS  14           H        CYS  14  -6.798   2.295  -2.726
  107    HA   CYS  14           HA       CYS  14  -8.657   0.161  -3.719
  108   1HB   CYS  14          1HB       CYS  14  -7.775   0.807  -0.869
  109   2HB   CYS  14          2HB       CYS  14  -8.942  -0.452  -1.341
  110    HG   CYS  14           HG       CYS  14  -5.811  -0.120  -2.320
  111    H    VAL  15           H        VAL  15 -10.870   0.396  -2.281
  112    HA   VAL  15           HA       VAL  15 -11.489   3.241  -1.979
  113    HB   VAL  15           HB       VAL  15 -13.650   2.986  -3.142
  114   1HG1  VAL  15          1HG1      VAL  15 -11.720   4.013  -4.285
  115   2HG1  VAL  15          2HG1      VAL  15 -11.298   2.434  -4.989
  116   3HG1  VAL  15          3HG1      VAL  15 -12.840   3.216  -5.399
  117   1HG2  VAL  15          1HG2      VAL  15 -12.553   0.348  -4.219
  118   2HG2  VAL  15          2HG2      VAL  15 -13.893   0.513  -3.059
  119   3HG2  VAL  15          3HG2      VAL  15 -14.061   1.154  -4.698
  120    H    CYS  16           H        CYS  16 -13.262   3.738  -0.778
  121    HA   CYS  16           HA       CYS  16 -13.956   1.917   1.421
  122   1HB   CYS  16          1HB       CYS  16 -13.748   4.429   1.680
  123   2HB   CYS  16          2HB       CYS  16 -15.162   4.594   0.625
  124    H    CYS  17           H        CYS  17 -15.376   0.223   0.927
  125    HA   CYS  17           HA       CYS  17 -17.053   0.215  -1.328
  126   1HB   CYS  17          1HB       CYS  17 -16.235  -1.773  -0.105
  127   2HB   CYS  17          2HB       CYS  17 -17.362  -1.435   1.215
  128    HG   CYS  17           HG       CYS  17 -19.393  -1.294  -0.728
  129    H    LYS  18           H        LYS  18 -17.735   2.022   1.601
  130    HA   LYS  18           HA       LYS  18 -20.651   1.826   1.224
  131   1HB   LYS  18          1HB       LYS  18 -19.550   4.144   2.771
  132   2HB   LYS  18          2HB       LYS  18 -20.927   3.113   3.034
  133   1HG   LYS  18          1HG       LYS  18 -18.854   1.363   3.573
  134   2HG   LYS  18          2HG       LYS  18 -18.116   2.921   3.979
  135   1HD   LYS  18          1HD       LYS  18 -20.078   3.446   5.450
  136   2HD   LYS  18          2HD       LYS  18 -20.831   1.929   4.937
  137   1HE   LYS  18          1HE       LYS  18 -18.924   0.666   5.975
  138   2HE   LYS  18          2HE       LYS  18 -18.263   2.208   6.550
  139   1HZ   LYS  18          1HZ       LYS  18 -19.514   1.315   8.305
  140   2HZ   LYS  18          2HZ       LYS  18 -20.831   1.005   7.351
  141   3HZ   LYS  18          3HZ       LYS  18 -20.440   2.536   7.713
  142    H    CYS  19           H        CYS  19 -18.048   4.157   0.774
  143    HA   CYS  19           HA       CYS  19 -19.946   6.023  -0.560
  144   1HB   CYS  19          1HB       CYS  19 -18.630   7.760   0.403
  145   2HB   CYS  19          2HB       CYS  19 -19.112   6.621   1.662
  146    H    ASP  20           H        ASP  20 -17.525   3.948  -1.448
  147    HA   ASP  20           HA       ASP  20 -16.054   3.705  -3.057
  148   1HB   ASP  20          1HB       ASP  20 -18.089   3.958  -4.382
  149   2HB   ASP  20          2HB       ASP  20 -17.789   5.685  -4.493
  150    H    GLY  21           H        GLY  21 -15.566   5.653  -0.990
  151   1HA   GLY  21          1HA       GLY  21 -14.247   7.961  -2.018
  152   2HA   GLY  21          2HA       GLY  21 -13.930   7.296  -0.422
  153    H    ARG  22           H        ARG  22 -12.394   8.267  -2.667
  154    HA   ARG  22           HA       ARG  22 -10.831   6.177  -3.924
  155   1HB   ARG  22          1HB       ARG  22 -11.492   8.322  -4.956
  156   2HB   ARG  22          2HB       ARG  22 -10.468   9.212  -3.830
  157   1HG   ARG  22          1HG       ARG  22  -9.179   7.078  -5.512
  158   2HG   ARG  22          2HG       ARG  22  -9.746   8.534  -6.339
  159   1HD   ARG  22          1HD       ARG  22  -8.424   9.945  -4.751
  160   2HD   ARG  22          2HD       ARG  22  -7.763   8.460  -4.037
  161    HE   ARG  22           HE       ARG  22  -7.423   8.536  -6.896
  162   1HH1  ARG  22          1HH1      ARG  22  -5.962   9.907  -3.899
  163   2HH1  ARG  22          2HH1      ARG  22  -4.334   9.593  -4.545
  164   1HH2  ARG  22          1HH2      ARG  22  -5.135   8.424  -7.630
  165   2HH2  ARG  22          2HH2      ARG  22  -3.937   8.848  -6.393
  166    H    ILE  23           H        ILE  23  -9.457   4.970  -2.517
  167    HA   ILE  23           HA       ILE  23  -7.801   6.614  -0.693
  168    HB   ILE  23           HB       ILE  23  -8.941   3.834  -0.294
  169   1HG1  ILE  23          1HG1      ILE  23  -9.520   6.295   1.427
  170   2HG1  ILE  23          2HG1      ILE  23 -10.484   5.968  -0.003
  171   1HG2  ILE  23          1HG2      ILE  23  -7.950   3.993   1.982
  172   2HG2  ILE  23          2HG2      ILE  23  -6.717   4.060   0.731
  173   3HG2  ILE  23          3HG2      ILE  23  -7.206   5.552   1.549
  174   1HD1  ILE  23          1HD1      ILE  23 -10.223   4.171   2.399
  175   2HD1  ILE  23          2HD1      ILE  23 -11.646   5.048   1.805
  176   3HD1  ILE  23          3HD1      ILE  23 -10.998   3.699   0.861
  177    H    GLU  24           H        GLU  24  -6.128   6.911  -2.027
  178    HA   GLU  24           HA       GLU  24  -4.611   4.864  -3.418
  179   1HB   GLU  24          1HB       GLU  24  -4.707   7.144  -4.166
  180   2HB   GLU  24          2HB       GLU  24  -4.028   7.735  -2.638
  181   1HG   GLU  24          1HG       GLU  24  -1.950   6.355  -3.170
  182   2HG   GLU  24          2HG       GLU  24  -2.663   6.013  -4.752
  183    H    LEU  25           H        LEU  25  -3.885   3.176  -2.007
  184    HA   LEU  25           HA       LEU  25  -2.685   3.907   0.519
  185   1HB   LEU  25          1HB       LEU  25  -2.583   1.215  -0.881
  186   2HB   LEU  25          2HB       LEU  25  -2.330   1.558   0.815
  187    HG   LEU  25           HG       LEU  25  -5.006   1.746  -0.630
  188   1HD1  LEU  25          1HD1      LEU  25  -3.879  -0.354   1.293
  189   2HD1  LEU  25          2HD1      LEU  25  -4.129  -0.564  -0.452
  190   3HD1  LEU  25          3HD1      LEU  25  -5.519  -0.330   0.615
  191   1HD2  LEU  25          1HD2      LEU  25  -4.756   3.258   1.395
  192   2HD2  LEU  25          2HD2      LEU  25  -4.324   1.842   2.367
  193   3HD2  LEU  25          3HD2      LEU  25  -5.942   1.965   1.645
  194    H    THR  26           H        THR  26  -0.553   3.158   0.852
  195    HA   THR  26           HA       THR  26   0.953   2.154  -1.336
  196    HB   THR  26           HB       THR  26   1.662   4.504  -1.494
  197    HG1  THR  26           HG1      THR  26   3.065   2.460  -1.749
  198   1HG2  THR  26          1HG2      THR  26   3.071   4.075   1.154
  199   2HG2  THR  26          2HG2      THR  26   1.684   5.175   0.891
  200   3HG2  THR  26          3HG2      THR  26   3.234   5.466   0.062
  201    H    VAL  27           H        VAL  27   2.031   0.397  -0.705
  202    HA   VAL  27           HA       VAL  27   2.372  -0.189   2.134
  203    HB   VAL  27           HB       VAL  27   1.133  -2.360   1.852
  204   1HG1  VAL  27          1HG1      VAL  27  -1.064  -1.482   2.385
  205   2HG1  VAL  27          2HG1      VAL  27   0.181  -0.464   3.130
  206   3HG1  VAL  27          3HG1      VAL  27  -0.659   0.090   1.669
  207   1HG2  VAL  27          1HG2      VAL  27   0.905  -2.438  -0.614
  208   2HG2  VAL  27          2HG2      VAL  27  -0.657  -2.572   0.201
  209   3HG2  VAL  27          3HG2      VAL  27  -0.192  -1.039  -0.562
  210    H    GLU  28           H        GLU  28   4.031  -1.525   2.397
  211    HA   GLU  28           HA       GLU  28   5.524  -2.284   0.017
  212   1HB   GLU  28          1HB       GLU  28   6.710  -2.324   2.709
  213   2HB   GLU  28          2HB       GLU  28   7.428  -1.935   1.167
  214   1HG   GLU  28          1HG       GLU  28   7.391   0.139   2.053
  215   2HG   GLU  28          2HG       GLU  28   5.798   0.182   1.332
  216    H    SER  29           H        SER  29   5.506  -4.301  -0.642
  217    HA   SER  29           HA       SER  29   5.841  -6.423   1.300
  218   1HB   SER  29          1HB       SER  29   3.437  -6.466   1.358
  219   2HB   SER  29          2HB       SER  29   3.334  -6.381  -0.417
  220    HG   SER  29           HG       SER  29   4.158  -8.470  -0.554
  221    H    SER  30           H        SER  30   6.510  -8.272   0.394
  222    HA   SER  30           HA       SER  30   7.984  -8.315  -2.070
  223   1HB   SER  30          1HB       SER  30   6.814 -10.604  -0.412
  224   2HB   SER  30          2HB       SER  30   8.070 -10.749  -1.655
  225    HG   SER  30           HG       SER  30   8.932 -10.650   0.471
  226    H    ALA  31           H        ALA  31   7.263  -8.904  -4.049
  227    HA   ALA  31           HA       ALA  31   4.894  -8.361  -5.013
  228   1HB   ALA  31          1HB       ALA  31   6.629 -10.618  -6.107
  229   2HB   ALA  31          2HB       ALA  31   5.462  -9.648  -7.026
  230   3HB   ALA  31          3HB       ALA  31   6.922  -8.887  -6.360
  231    H    GLU  32           H        GLU  32   5.590 -11.588  -3.677
  232    HA   GLU  32           HA       GLU  32   3.379 -12.992  -4.748
  233   1HB   GLU  32          1HB       GLU  32   5.019 -13.414  -2.213
  234   2HB   GLU  32          2HB       GLU  32   3.871 -14.590  -2.871
  235   1HG   GLU  32          1HG       GLU  32   5.171 -14.825  -4.917
  236   2HG   GLU  32          2HG       GLU  32   6.265 -13.522  -4.438
  237    H    ASP  33           H        ASP  33   3.758 -11.707  -1.348
  238    HA   ASP  33           HA       ASP  33   0.963 -12.134  -0.850
  239   1HB   ASP  33          1HB       ASP  33   2.723 -12.176   0.922
  240   2HB   ASP  33          2HB       ASP  33   2.916 -10.441   0.736
  241    H    LEU  34           H        LEU  34   2.786  -9.580  -2.314
  242    HA   LEU  34           HA       LEU  34   0.869  -7.436  -1.855
  243   1HB   LEU  34          1HB       LEU  34   3.316  -7.135  -2.636
  244   2HB   LEU  34          2HB       LEU  34   2.757  -7.687  -4.212
  245    HG   LEU  34           HG       LEU  34   0.882  -5.776  -3.837
  246   1HD1  LEU  34          1HD1      LEU  34   3.235  -4.763  -2.170
  247   2HD1  LEU  34          2HD1      LEU  34   1.627  -5.191  -1.543
  248   3HD1  LEU  34          3HD1      LEU  34   1.814  -3.824  -2.647
  249   1HD2  LEU  34          1HD2      LEU  34   3.745  -5.104  -4.616
  250   2HD2  LEU  34          2HD2      LEU  34   2.256  -4.251  -5.097
  251   3HD2  LEU  34          3HD2      LEU  34   2.564  -5.895  -5.679
  252    H    ARG  35           H        ARG  35   1.444  -9.945  -4.351
  253    HA   ARG  35           HA       ARG  35  -0.783  -9.309  -6.031
  254   1HB   ARG  35          1HB       ARG  35   1.225 -11.457  -5.750
  255   2HB   ARG  35          2HB       ARG  35  -0.337 -12.119  -6.036
  256   1HG   ARG  35          1HG       ARG  35   0.904 -11.764  -8.119
  257   2HG   ARG  35          2HG       ARG  35  -0.552 -10.775  -8.105
  258   1HD   ARG  35          1HD       ARG  35   1.684  -9.270  -6.971
  259   2HD   ARG  35          2HD       ARG  35   2.158  -9.944  -8.517
  260    HE   ARG  35           HE       ARG  35   0.107  -7.911  -7.964
  261   1HH1  ARG  35          1HH1      ARG  35   1.471 -10.039 -10.443
  262   2HH1  ARG  35          2HH1      ARG  35   0.739  -9.206 -11.773
  263   1HH2  ARG  35          1HH2      ARG  35  -0.924  -6.866  -9.643
  264   2HH2  ARG  35          2HH2      ARG  35  -0.646  -7.300 -11.312
  265    H    THR  36           H        THR  36  -0.495 -11.620  -3.224
  266    HA   THR  36           HA       THR  36  -3.172 -12.414  -3.304
  267    HB   THR  36           HB       THR  36  -1.453 -11.963  -0.833
  268    HG1  THR  36           HG1      THR  36  -1.577 -14.228  -2.543
  269   1HG2  THR  36          1HG2      THR  36  -3.761 -12.603  -0.257
  270   2HG2  THR  36          2HG2      THR  36  -2.638 -13.924   0.092
  271   3HG2  THR  36          3HG2      THR  36  -3.670 -13.996  -1.358
  272    H    LEU  37           H        LEU  37  -1.786  -9.500  -1.547
  273    HA   LEU  37           HA       LEU  37  -4.378  -9.101  -0.331
  274   1HB   LEU  37          1HB       LEU  37  -3.422  -7.296   0.853
  275   2HB   LEU  37          2HB       LEU  37  -2.282  -8.623   0.826
  276    HG   LEU  37           HG       LEU  37  -1.247  -7.259  -1.239
  277   1HD1  LEU  37          1HD1      LEU  37  -2.931  -5.423  -1.250
  278   2HD1  LEU  37          2HD1      LEU  37  -1.321  -4.831  -0.834
  279   3HD1  LEU  37          3HD1      LEU  37  -2.533  -5.059   0.440
  280   1HD2  LEU  37          1HD2      LEU  37   0.304  -6.172   0.357
  281   2HD2  LEU  37          2HD2      LEU  37  -0.051  -7.833   0.840
  282   3HD2  LEU  37          3HD2      LEU  37  -0.838  -6.488   1.684
  283    H    GLN  38           H        GLN  38  -2.695  -7.877  -3.246
  284    HA   GLN  38           HA       GLN  38  -4.583  -5.724  -3.566
  285   1HB   GLN  38          1HB       GLN  38  -3.496  -5.178  -5.457
  286   2HB   GLN  38          2HB       GLN  38  -2.239  -5.913  -4.481
  287   1HG   GLN  38          1HG       GLN  38  -2.611  -8.036  -5.856
  288   2HG   GLN  38          2HG       GLN  38  -3.636  -7.109  -6.934
  289   1HE2  GLN  38          1HE2      GLN  38  -0.470  -6.841  -5.306
  290   2HE2  GLN  38          2HE2      GLN  38   0.404  -6.092  -6.650
  291    H    GLN  39           H        GLN  39  -4.367  -9.187  -4.536
  292    HA   GLN  39           HA       GLN  39  -6.563  -9.190  -6.310
  293   1HB   GLN  39          1HB       GLN  39  -5.089 -11.294  -4.818
  294   2HB   GLN  39          2HB       GLN  39  -6.573 -11.681  -5.730
  295   1HG   GLN  39          1HG       GLN  39  -5.760 -10.716  -7.747
  296   2HG   GLN  39          2HG       GLN  39  -4.444  -9.876  -6.930
  297   1HE2  GLN  39          1HE2      GLN  39  -3.039 -10.619  -8.458
  298   2HE2  GLN  39          2HE2      GLN  39  -2.473 -12.271  -8.314
  299    H    LEU  40           H        LEU  40  -6.300  -9.761  -2.750
  300    HA   LEU  40           HA       LEU  40  -9.059 -10.291  -2.296
  301   1HB   LEU  40          1HB       LEU  40  -6.998  -8.942  -0.508
  302   2HB   LEU  40          2HB       LEU  40  -8.621  -9.372   0.019
  303    HG   LEU  40           HG       LEU  40  -6.538 -11.370  -0.960
  304   1HD1  LEU  40          1HD1      LEU  40  -7.559 -10.772   1.846
  305   2HD1  LEU  40          2HD1      LEU  40  -5.959 -10.334   1.207
  306   3HD1  LEU  40          3HD1      LEU  40  -6.394 -12.037   1.395
  307   1HD2  LEU  40          1HD2      LEU  40  -9.323 -11.792   0.187
  308   2HD2  LEU  40          2HD2      LEU  40  -8.097 -13.065  -0.020
  309   3HD2  LEU  40          3HD2      LEU  40  -8.743 -12.246  -1.436
  310    H    PHE  41           H        PHE  41  -7.327  -7.108  -2.308
  311    HA   PHE  41           HA       PHE  41  -9.752  -5.614  -1.868
  312   1HB   PHE  41          1HB       PHE  41  -7.031  -4.817  -2.944
  313   2HB   PHE  41          2HB       PHE  41  -8.356  -3.679  -2.766
  314    HD1  PHE  41           HD1      PHE  41  -9.582  -3.784  -0.321
  315    HD2  PHE  41           HD2      PHE  41  -5.457  -4.716  -1.172
  316    HE1  PHE  41           HE1      PHE  41  -8.983  -3.367   2.047
  317    HE2  PHE  41           HE2      PHE  41  -4.875  -4.299   1.189
  318    HZ   PHE  41           HZ       PHE  41  -6.640  -3.638   2.812
  319    H    LEU  42           H        LEU  42  -8.234  -6.824  -4.850
  320    HA   LEU  42           HA       LEU  42 -10.006  -5.365  -6.613
  321   1HB   LEU  42          1HB       LEU  42  -8.009  -7.579  -6.843
  322   2HB   LEU  42          2HB       LEU  42  -9.302  -7.629  -8.010
  323    HG   LEU  42           HG       LEU  42  -7.405  -6.512  -8.929
  324   1HD1  LEU  42          1HD1      LEU  42  -9.687  -5.802  -9.619
  325   2HD1  LEU  42          2HD1      LEU  42  -8.441  -4.568  -9.861
  326   3HD1  LEU  42          3HD1      LEU  42  -9.569  -4.424  -8.505
  327   1HD2  LEU  42          1HD2      LEU  42  -6.660  -4.259  -8.166
  328   2HD2  LEU  42          2HD2      LEU  42  -6.267  -5.563  -7.048
  329   3HD2  LEU  42          3HD2      LEU  42  -7.624  -4.470  -6.691
  330    H    SER  43           H        SER  43 -10.183  -8.497  -4.959
  331    HA   SER  43           HA       SER  43 -12.448  -9.454  -6.425
  332   1HB   SER  43          1HB       SER  43 -10.802 -10.974  -5.550
  333   2HB   SER  43          2HB       SER  43 -10.983 -10.355  -3.909
  334    HG   SER  43           HG       SER  43 -12.103 -12.402  -4.580
  335    H    THR  44           H        THR  44 -12.124  -8.774  -2.928
  336    HA   THR  44           HA       THR  44 -14.965  -8.247  -2.749
  337    HB   THR  44           HB       THR  44 -13.622 -10.595  -1.344
  338    HG1  THR  44           HG1      THR  44 -13.877 -11.062  -3.572
  339   1HG2  THR  44          1HG2      THR  44 -15.939 -11.347  -0.846
  340   2HG2  THR  44          2HG2      THR  44 -16.570  -9.838  -1.540
  341   3HG2  THR  44          3HG2      THR  44 -15.572  -9.803  -0.068
  342    H    LEU  45           H        LEU  45 -11.760  -8.122  -1.250
  343    HA   LEU  45           HA       LEU  45 -12.764  -7.070   1.286
  344   1HB   LEU  45          1HB       LEU  45 -10.610  -8.380   1.028
  345   2HB   LEU  45          2HB       LEU  45  -9.979  -7.049   0.056
  346    HG   LEU  45           HG       LEU  45 -10.177  -5.531   2.018
  347   1HD1  LEU  45          1HD1      LEU  45 -10.944  -8.069   3.529
  348   2HD1  LEU  45          2HD1      LEU  45 -11.963  -6.628   3.310
  349   3HD1  LEU  45          3HD1      LEU  45 -10.492  -6.521   4.275
  350   1HD2  LEU  45          1HD2      LEU  45  -8.571  -8.078   2.510
  351   2HD2  LEU  45          2HD2      LEU  45  -8.262  -6.482   3.232
  352   3HD2  LEU  45          3HD2      LEU  45  -8.069  -6.711   1.490
  353    H    SER  46           H        SER  46 -12.460  -4.723   1.851
  354    HA   SER  46           HA       SER  46 -11.856  -2.914  -0.348
  355   1HB   SER  46          1HB       SER  46 -13.898  -1.605   0.187
  356   2HB   SER  46          2HB       SER  46 -14.234  -3.179  -0.562
  357    HG   SER  46           HG       SER  46 -14.849  -3.979   1.389
  358    H    PHE  47           H        PHE  47 -11.993  -0.579   0.709
  359    HA   PHE  47           HA       PHE  47 -10.470  -0.826   3.272
  360   1HB   PHE  47          1HB       PHE  47  -9.312  -0.303   0.968
  361   2HB   PHE  47          2HB       PHE  47  -9.891   1.328   1.262
  362    HD1  PHE  47           HD1      PHE  47  -9.299   2.362   3.597
  363    HD2  PHE  47           HD2      PHE  47  -7.367  -1.146   2.014
  364    HE1  PHE  47           HE1      PHE  47  -7.427   2.664   5.209
  365    HE2  PHE  47           HE2      PHE  47  -5.515  -0.859   3.637
  366    HZ   PHE  47           HZ       PHE  47  -5.539   1.046   5.234
  367    H    VAL  48           H        VAL  48 -12.609  -0.572   4.263
  368    HA   VAL  48           HA       VAL  48 -14.093   1.767   3.707
  369    HB   VAL  48           HB       VAL  48 -15.276  -0.091   4.548
  370   1HG1  VAL  48          1HG1      VAL  48 -15.035  -1.085   6.769
  371   2HG1  VAL  48          2HG1      VAL  48 -13.561  -1.291   5.824
  372   3HG1  VAL  48          3HG1      VAL  48 -13.629  -0.056   7.103
  373   1HG2  VAL  48          1HG2      VAL  48 -16.513   0.808   6.450
  374   2HG2  VAL  48          2HG2      VAL  48 -15.231   1.988   6.771
  375   3HG2  VAL  48          3HG2      VAL  48 -16.163   2.077   5.258
  376    H    CYS  49           H        CYS  49 -13.407   3.718   4.017
  377    HA   CYS  49           HA       CYS  49 -11.173   4.451   5.538
  378   1HB   CYS  49          1HB       CYS  49 -12.050   6.814   5.264
  379   2HB   CYS  49          2HB       CYS  49 -11.853   5.886   3.797
  380    HA   PRO  50           HA       PRO  50 -12.475   4.519   9.682
  381   1HB   PRO  50          1HB       PRO  50 -11.098   6.623  10.841
  382   2HB   PRO  50          2HB       PRO  50 -10.376   5.053  10.375
  383   1HG   PRO  50          1HG       PRO  50 -10.403   7.638   8.790
  384   2HG   PRO  50          2HG       PRO  50  -9.017   6.543   9.104
  385   1HD   PRO  50          1HD       PRO  50 -10.385   6.423   6.775
  386   2HD   PRO  50          2HD       PRO  50  -9.846   4.918   7.579
  387    H    TRP  51           H        TRP  51 -12.955   7.504   7.871
  388    HA   TRP  51           HA       TRP  51 -14.866   8.811   9.541
  389   1HB   TRP  51          1HB       TRP  51 -13.811   9.834   7.575
  390   2HB   TRP  51          2HB       TRP  51 -14.666   8.706   6.516
  391    HD1  TRP  51           HD1      TRP  51 -16.943   9.508   5.685
  392    HE1  TRP  51           HE1      TRP  51 -18.719  11.167   6.439
  393    HE3  TRP  51           HE3      TRP  51 -14.734  11.200   9.989
  394    HZ2  TRP  51           HZ2      TRP  51 -19.167  13.010   8.626
  395    HZ3  TRP  51           HZ3      TRP  51 -15.901  12.848  11.426
  396    HH2  TRP  51           HH2      TRP  51 -18.113  13.756  10.755
  397    H    CYS  52           H        CYS  52 -15.342   6.391   6.909
  398    HA   CYS  52           HA       CYS  52 -18.181   6.085   7.430
  399   1HB   CYS  52          1HB       CYS  52 -16.115   4.538   5.820
  400   2HB   CYS  52          2HB       CYS  52 -17.798   4.062   5.958
  401    H    ALA  53           H        ALA  53 -15.250   4.372   8.574
  402    HA   ALA  53           HA       ALA  53 -16.682   2.306   9.935
  403   1HB   ALA  53          1HB       ALA  53 -14.099   3.619  10.859
  404   2HB   ALA  53          2HB       ALA  53 -14.697   2.009  11.277
  405   3HB   ALA  53          3HB       ALA  53 -14.195   2.349   9.609
  406    H    THR  54           H        THR  54 -15.768   5.615  10.977
  407    HA   THR  54           HA       THR  54 -16.828   5.377  13.624
  408    HB   THR  54           HB       THR  54 -16.257   7.898  12.002
  409    HG1  THR  54           HG1      THR  54 -14.422   6.676  12.016
  410   1HG2  THR  54          1HG2      THR  54 -15.773   8.913  14.206
  411   2HG2  THR  54          2HG2      THR  54 -16.273   7.413  15.015
  412   3HG2  THR  54          3HG2      THR  54 -17.460   8.382  14.110
  413    H    ASN  55           H        ASN  55 -18.157   6.837  10.620
  414    HA   ASN  55           HA       ASN  55 -20.664   7.644  11.893
  415   1HB   ASN  55          1HB       ASN  55 -19.834   7.403   8.966
  416   2HB   ASN  55          2HB       ASN  55 -21.440   7.906   9.491
  417   1HD2  ASN  55          1HD2      ASN  55 -17.953   8.767   9.847
  418   2HD2  ASN  55          2HD2      ASN  55 -18.293  10.468  10.139
  419    H    GLN  56           H        GLN  56 -19.448   4.806  10.333
  420    HA   GLN  56           HA       GLN  56 -20.089   2.709  10.216
  421   1HB   GLN  56          1HB       GLN  56 -20.584   3.077  12.652
  422   2HB   GLN  56          2HB       GLN  56 -22.280   3.291  12.224
  423   1HG   GLN  56          1HG       GLN  56 -21.350   0.872  10.940
  424   2HG   GLN  56          2HG       GLN  56 -20.728   0.857  12.584
  425   1HE2  GLN  56          1HE2      GLN  56 -23.751   1.803  10.898
  426   2HE2  GLN  56          2HE2      GLN  56 -24.862   0.953  12.015
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1  12.295   8.977   1.216
    2   1HA   GLY   1          1HA       GLY   1  11.489  11.672   0.325
    3   2HA   GLY   1          2HA       GLY   1  12.211  11.290   1.908
    4    H    SER   2           H        SER   2  14.336  12.235   1.733
    5    HA   SER   2           HA       SER   2  16.077  11.985  -0.429
    6   1HB   SER   2          1HB       SER   2  16.857  11.916   2.503
    7   2HB   SER   2          2HB       SER   2  17.712  12.679   1.150
    8    HG   SER   2           HG       SER   2  16.618  14.255   2.319
    9    H    HIS   3           H        HIS   3  14.772   9.468   1.391
   10    HA   HIS   3           HA       HIS   3  16.698   7.463   0.510
   11   1HB   HIS   3          1HB       HIS   3  17.446   7.976   2.768
   12   2HB   HIS   3          2HB       HIS   3  15.792   8.049   3.369
   13    HD1  HIS   3           HD1      HIS   3  14.522   5.650   3.759
   14    HD2  HIS   3           HD2      HIS   3  18.622   5.585   2.749
   15    HE1  HIS   3           HE1      HIS   3  15.382   3.331   4.337
   16    H    MET   4           H        MET   4  15.579   5.453   0.185
   17    HA   MET   4           HA       MET   4  13.059   4.896   1.364
   18   1HB   MET   4          1HB       MET   4  12.466   6.089  -0.866
   19   2HB   MET   4          2HB       MET   4  13.199   4.720  -1.687
   20   1HG   MET   4          1HG       MET   4  10.843   4.660   0.242
   21   2HG   MET   4          2HG       MET   4  10.736   4.574  -1.509
   22   1HE   MET   4          1HE       MET   4  12.134   0.910  -2.193
   23   2HE   MET   4          2HE       MET   4  11.543   2.403  -2.958
   24   3HE   MET   4          3HE       MET   4  13.141   2.371  -2.166
   25    H    ALA   5           H        ALA   5  13.319   2.701   1.882
   26    HA   ALA   5           HA       ALA   5  14.918   0.988   0.208
   27   1HB   ALA   5          1HB       ALA   5  15.740   1.389   3.124
   28   2HB   ALA   5          2HB       ALA   5  16.530   0.311   1.962
   29   3HB   ALA   5          3HB       ALA   5  16.635   2.069   1.738
   30    H    GLU   6           H        GLU   6  12.229   1.213   1.233
   31    HA   GLU   6           HA       GLU   6  11.926  -1.044   3.105
   32   1HB   GLU   6          1HB       GLU   6   9.742   0.655   1.833
   33   2HB   GLU   6          2HB       GLU   6   9.602  -0.440   3.210
   34   1HG   GLU   6          1HG       GLU   6   9.863   1.440   4.443
   35   2HG   GLU   6          2HG       GLU   6  11.563   1.148   4.196
   36    HA   PRO   7           HA       PRO   7  11.264  -4.139   0.037
   37   1HB   PRO   7          1HB       PRO   7   9.457  -5.858   1.185
   38   2HB   PRO   7          2HB       PRO   7  11.164  -5.710   1.702
   39   1HG   PRO   7          1HG       PRO   7   8.728  -4.382   2.926
   40   2HG   PRO   7          2HG       PRO   7  10.048  -5.260   3.762
   41   1HD   PRO   7          1HD       PRO   7  10.039  -2.562   3.596
   42   2HD   PRO   7          2HD       PRO   7  11.569  -3.471   3.428
   43    H    GLN   8           H        GLN   8  10.366  -3.343  -1.749
   44    HA   GLN   8           HA       GLN   8   8.922  -2.431  -3.219
   45   1HB   GLN   8          1HB       GLN   8   7.588  -4.893  -2.119
   46   2HB   GLN   8          2HB       GLN   8   6.829  -3.952  -3.417
   47   1HG   GLN   8          1HG       GLN   8   8.972  -4.162  -4.712
   48   2HG   GLN   8          2HG       GLN   8   9.523  -5.306  -3.466
   49   1HE2  GLN   8          1HE2      GLN   8   6.668  -4.691  -5.649
   50   2HE2  GLN   8          2HE2      GLN   8   6.443  -6.402  -6.017
   51    H    ARG   9           H        ARG   9   8.859  -0.540  -1.611
   52    HA   ARG   9           HA       ARG   9   6.409   0.322  -0.528
   53   1HB   ARG   9          1HB       ARG   9   8.585   1.544  -0.476
   54   2HB   ARG   9          2HB       ARG   9   8.322   2.037  -2.148
   55   1HG   ARG   9          1HG       ARG   9   7.077   3.771  -1.366
   56   2HG   ARG   9          2HG       ARG   9   5.914   2.593  -0.759
   57   1HD   ARG   9          1HD       ARG   9   7.803   2.509   1.210
   58   2HD   ARG   9          2HD       ARG   9   7.944   4.197   0.707
   59    HE   ARG   9           HE       ARG   9   5.212   3.726   0.994
   60   1HH1  ARG   9          1HH1      ARG   9   8.069   3.394   3.174
   61   2HH1  ARG   9          2HH1      ARG   9   7.014   2.642   4.379
   62   1HH2  ARG   9          1HH2      ARG   9   3.916   3.158   2.972
   63   2HH2  ARG   9          2HH2      ARG   9   4.910   2.666   4.320
   64    H    HIS  10           H        HIS  10   4.539   0.004  -1.463
   65    HA   HIS  10           HA       HIS  10   4.094   0.625  -4.379
   66   1HB   HIS  10          1HB       HIS  10   3.433  -1.869  -2.866
   67   2HB   HIS  10          2HB       HIS  10   2.358  -1.290  -4.138
   68    HD1  HIS  10           HD1      HIS  10   2.729  -2.810  -6.127
   69    HD2  HIS  10           HD2      HIS  10   6.288  -1.631  -4.237
   70    HE1  HIS  10           HE1      HIS  10   4.641  -3.839  -7.465
   71    H    LYS  11           H        LYS  11   2.388   2.015  -4.724
   72    HA   LYS  11           HA       LYS  11   0.657   2.709  -2.484
   73   1HB   LYS  11          1HB       LYS  11   1.486   3.938  -5.121
   74   2HB   LYS  11          2HB       LYS  11   0.301   4.653  -4.026
   75   1HG   LYS  11          1HG       LYS  11   1.945   4.966  -2.286
   76   2HG   LYS  11          2HG       LYS  11   3.121   3.917  -3.068
   77   1HD   LYS  11          1HD       LYS  11   3.699   6.308  -3.340
   78   2HD   LYS  11          2HD       LYS  11   3.459   5.465  -4.874
   79   1HE   LYS  11          1HE       LYS  11   2.350   7.493  -5.129
   80   2HE   LYS  11          2HE       LYS  11   1.084   6.322  -4.910
   81   1HZ   LYS  11          1HZ       LYS  11   0.425   8.003  -3.487
   82   2HZ   LYS  11          2HZ       LYS  11   1.964   8.254  -2.853
   83   3HZ   LYS  11          3HZ       LYS  11   1.006   6.919  -2.536
   84    H    ILE  12           H        ILE  12  -1.023   1.228  -2.473
   85    HA   ILE  12           HA       ILE  12  -2.273   0.529  -5.068
   86    HB   ILE  12           HB       ILE  12  -2.988  -0.726  -2.419
   87   1HG1  ILE  12          1HG1      ILE  12  -0.767  -1.679  -4.283
   88   2HG1  ILE  12          2HG1      ILE  12  -0.500  -0.902  -2.718
   89   1HG2  ILE  12          1HG2      ILE  12  -3.124  -1.701  -5.305
   90   2HG2  ILE  12          2HG2      ILE  12  -3.761  -2.541  -3.870
   91   3HG2  ILE  12          3HG2      ILE  12  -4.486  -1.026  -4.393
   92   1HD1  ILE  12          1HD1      ILE  12  -1.886  -2.700  -1.633
   93   2HD1  ILE  12          2HD1      ILE  12  -1.774  -3.591  -3.181
   94   3HD1  ILE  12          3HD1      ILE  12  -0.311  -3.174  -2.268
   95    H    LEU  13           H        LEU  13  -3.586   2.137  -5.626
   96    HA   LEU  13           HA       LEU  13  -5.212   3.711  -3.910
   97   1HB   LEU  13          1HB       LEU  13  -4.388   4.332  -6.177
   98   2HB   LEU  13          2HB       LEU  13  -5.634   3.301  -6.875
   99    HG   LEU  13           HG       LEU  13  -6.671   5.125  -4.758
  100   1HD1  LEU  13          1HD1      LEU  13  -5.412   6.335  -7.210
  101   2HD1  LEU  13          2HD1      LEU  13  -4.920   6.558  -5.512
  102   3HD1  LEU  13          3HD1      LEU  13  -6.499   7.170  -6.079
  103   1HD2  LEU  13          1HD2      LEU  13  -8.162   3.878  -6.264
  104   2HD2  LEU  13          2HD2      LEU  13  -7.502   4.773  -7.650
  105   3HD2  LEU  13          3HD2      LEU  13  -8.405   5.625  -6.377
  106    H    CYS  14           H        CYS  14  -6.650   2.720  -2.591
  107    HA   CYS  14           HA       CYS  14  -8.550   0.751  -3.861
  108   1HB   CYS  14          1HB       CYS  14  -7.784   1.095  -0.936
  109   2HB   CYS  14          2HB       CYS  14  -8.985  -0.054  -1.566
  110    HG   CYS  14           HG       CYS  14  -5.799   0.250  -2.418
  111    H    VAL  15           H        VAL  15 -10.834   0.862  -2.373
  112    HA   VAL  15           HA       VAL  15 -11.508   3.703  -2.087
  113    HB   VAL  15           HB       VAL  15 -13.656   3.429  -3.183
  114   1HG1  VAL  15          1HG1      VAL  15 -11.342   2.867  -5.074
  115   2HG1  VAL  15          2HG1      VAL  15 -12.895   3.637  -5.466
  116   3HG1  VAL  15          3HG1      VAL  15 -11.765   4.450  -4.377
  117   1HG2  VAL  15          1HG2      VAL  15 -14.111   1.576  -4.715
  118   2HG2  VAL  15          2HG2      VAL  15 -12.594   0.773  -4.259
  119   3HG2  VAL  15          3HG2      VAL  15 -13.909   0.956  -3.073
  120    H    CYS  16           H        CYS  16 -13.237   4.147  -0.761
  121    HA   CYS  16           HA       CYS  16 -13.765   2.353   1.448
  122   1HB   CYS  16          1HB       CYS  16 -13.795   4.864   1.631
  123   2HB   CYS  16          2HB       CYS  16 -15.221   4.876   0.575
  124    H    CYS  17           H        CYS  17 -15.098   0.686   1.313
  125    HA   CYS  17           HA       CYS  17 -16.621  -0.092  -0.856
  126   1HB   CYS  17          1HB       CYS  17 -15.752  -1.423   1.158
  127   2HB   CYS  17          2HB       CYS  17 -17.223  -0.920   2.011
  128    HG   CYS  17           HG       CYS  17 -17.441  -3.397   1.148
  129    H    LYS  18           H        LYS  18 -17.703   2.148   1.660
  130    HA   LYS  18           HA       LYS  18 -20.544   1.752   0.944
  131   1HB   LYS  18          1HB       LYS  18 -19.962   4.021   2.749
  132   2HB   LYS  18          2HB       LYS  18 -21.104   2.696   2.884
  133   1HG   LYS  18          1HG       LYS  18 -19.115   1.242   3.592
  134   2HG   LYS  18          2HG       LYS  18 -18.171   2.750   3.669
  135   1HD   LYS  18          1HD       LYS  18 -19.707   3.672   5.344
  136   2HD   LYS  18          2HD       LYS  18 -20.781   2.276   5.181
  137   1HE   LYS  18          1HE       LYS  18 -19.083   0.764   6.056
  138   2HE   LYS  18          2HE       LYS  18 -17.881   2.061   6.051
  139   1HZ   LYS  18          1HZ       LYS  18 -20.273   1.930   7.823
  140   2HZ   LYS  18          2HZ       LYS  18 -19.380   3.224   7.712
  141   3HZ   LYS  18          3HZ       LYS  18 -18.690   1.837   8.264
  142    H    CYS  19           H        CYS  19 -18.070   4.296   0.876
  143    HA   CYS  19           HA       CYS  19 -19.950   6.069  -0.578
  144   1HB   CYS  19          1HB       CYS  19 -18.874   7.857   0.488
  145   2HB   CYS  19          2HB       CYS  19 -19.228   6.662   1.730
  146    H    ASP  20           H        ASP  20 -17.369   4.109  -1.358
  147    HA   ASP  20           HA       ASP  20 -15.923   3.948  -2.998
  148   1HB   ASP  20          1HB       ASP  20 -17.992   4.271  -4.256
  149   2HB   ASP  20          2HB       ASP  20 -17.674   5.997  -4.324
  150    H    GLY  21           H        GLY  21 -15.509   6.016  -0.881
  151   1HA   GLY  21          1HA       GLY  21 -14.106   8.240  -2.080
  152   2HA   GLY  21          2HA       GLY  21 -14.011   7.804  -0.374
  153    H    ARG  22           H        ARG  22 -12.025   8.571  -2.317
  154    HA   ARG  22           HA       ARG  22 -10.382   6.429  -3.258
  155   1HB   ARG  22          1HB       ARG  22 -10.447   8.659  -4.260
  156   2HB   ARG  22          2HB       ARG  22  -9.777   9.393  -2.807
  157   1HG   ARG  22          1HG       ARG  22  -8.198   7.229  -4.222
  158   2HG   ARG  22          2HG       ARG  22  -8.319   8.830  -4.955
  159   1HD   ARG  22          1HD       ARG  22  -7.467   9.824  -2.778
  160   2HD   ARG  22          2HD       ARG  22  -7.113   8.166  -2.252
  161    HE   ARG  22           HE       ARG  22  -6.022   8.741  -4.854
  162   1HH1  ARG  22          1HH1      ARG  22  -5.341   9.296  -1.437
  163   2HH1  ARG  22          2HH1      ARG  22  -3.613   9.178  -1.615
  164   1HH2  ARG  22          1HH2      ARG  22  -3.716   8.619  -5.101
  165   2HH2  ARG  22          2HH2      ARG  22  -2.707   8.484  -3.697
  166    H    ILE  23           H        ILE  23  -9.381   5.027  -1.914
  167    HA   ILE  23           HA       ILE  23  -7.899   6.173   0.372
  168    HB   ILE  23           HB       ILE  23  -8.066   3.216  -0.268
  169   1HG1  ILE  23          1HG1      ILE  23 -10.410   3.753  -0.075
  170   2HG1  ILE  23          2HG1      ILE  23  -9.854   2.755   1.247
  171   1HG2  ILE  23          1HG2      ILE  23  -7.571   4.744   2.316
  172   2HG2  ILE  23          2HG2      ILE  23  -7.601   2.973   2.155
  173   3HG2  ILE  23          3HG2      ILE  23  -6.366   3.917   1.319
  174   1HD1  ILE  23          1HD1      ILE  23  -9.877   4.694   2.767
  175   2HD1  ILE  23          2HD1      ILE  23 -10.381   5.750   1.419
  176   3HD1  ILE  23          3HD1      ILE  23 -11.447   4.448   1.990
  177    H    GLU  24           H        GLU  24  -5.484   5.768   0.191
  178    HA   GLU  24           HA       GLU  24  -4.712   4.106  -2.079
  179   1HB   GLU  24          1HB       GLU  24  -4.486   6.358  -2.939
  180   2HB   GLU  24          2HB       GLU  24  -3.475   6.794  -1.540
  181   1HG   GLU  24          1HG       GLU  24  -2.276   4.472  -2.721
  182   2HG   GLU  24          2HG       GLU  24  -2.740   5.518  -4.061
  183    H    LEU  25           H        LEU  25  -3.750   2.480  -1.308
  184    HA   LEU  25           HA       LEU  25  -2.856   2.583   1.386
  185   1HB   LEU  25          1HB       LEU  25  -2.562   0.254  -0.531
  186   2HB   LEU  25          2HB       LEU  25  -2.479   0.209   1.219
  187    HG   LEU  25           HG       LEU  25  -4.931   0.777  -0.482
  188   1HD1  LEU  25          1HD1      LEU  25  -4.217  -1.583  -0.413
  189   2HD1  LEU  25          2HD1      LEU  25  -5.716  -1.365   0.505
  190   3HD1  LEU  25          3HD1      LEU  25  -4.170  -1.542   1.364
  191   1HD2  LEU  25          1HD2      LEU  25  -6.211   0.771   1.627
  192   2HD2  LEU  25          2HD2      LEU  25  -5.043   2.093   1.636
  193   3HD2  LEU  25          3HD2      LEU  25  -4.707   0.623   2.568
  194    H    THR  26           H        THR  26  -1.010   4.158   1.124
  195    HA   THR  26           HA       THR  26   1.260   3.424  -0.552
  196    HB   THR  26           HB       THR  26   1.303   5.259   1.863
  197    HG1  THR  26           HG1      THR  26   0.294   5.871  -0.716
  198   1HG2  THR  26          1HG2      THR  26   3.247   4.624  -0.374
  199   2HG2  THR  26          2HG2      THR  26   3.522   4.744   1.363
  200   3HG2  THR  26          3HG2      THR  26   3.280   6.214   0.437
  201    H    VAL  27           H        VAL  27   1.334   1.117   0.033
  202    HA   VAL  27           HA       VAL  27   2.427   0.572   2.761
  203    HB   VAL  27           HB       VAL  27   1.795  -1.774   2.301
  204   1HG1  VAL  27          1HG1      VAL  27  -0.632  -1.452   2.603
  205   2HG1  VAL  27          2HG1      VAL  27   0.339  -0.359   3.605
  206   3HG1  VAL  27          3HG1      VAL  27  -0.452   0.258   2.145
  207   1HG2  VAL  27          1HG2      VAL  27   0.331  -2.407   0.492
  208   2HG2  VAL  27          2HG2      VAL  27   0.303  -0.756  -0.157
  209   3HG2  VAL  27          3HG2      VAL  27   1.799  -1.713  -0.202
  210    H    GLU  28           H        GLU  28   3.997  -1.186   2.759
  211    HA   GLU  28           HA       GLU  28   5.785  -1.412   0.419
  212   1HB   GLU  28          1HB       GLU  28   6.684  -1.964   3.188
  213   2HB   GLU  28          2HB       GLU  28   7.590  -1.406   1.799
  214   1HG   GLU  28          1HG       GLU  28   7.574   0.511   2.995
  215   2HG   GLU  28          2HG       GLU  28   6.149   0.780   2.075
  216    H    SER  29           H        SER  29   5.423  -3.593  -0.557
  217    HA   SER  29           HA       SER  29   4.914  -5.794   1.263
  218   1HB   SER  29          1HB       SER  29   2.952  -4.567  -0.685
  219   2HB   SER  29          2HB       SER  29   2.842  -6.177   0.026
  220    HG   SER  29           HG       SER  29   3.323  -4.275   1.913
  221    H    SER  30           H        SER  30   5.782  -7.451   0.429
  222    HA   SER  30           HA       SER  30   7.361  -7.411  -1.950
  223   1HB   SER  30          1HB       SER  30   6.472  -9.806  -0.280
  224   2HB   SER  30          2HB       SER  30   7.862  -9.745  -1.382
  225    HG   SER  30           HG       SER  30   8.437  -9.390   0.831
  226    H    ALA  31           H        ALA  31   7.079  -8.544  -3.903
  227    HA   ALA  31           HA       ALA  31   4.880  -8.348  -5.272
  228   1HB   ALA  31          1HB       ALA  31   5.690 -10.154  -6.813
  229   2HB   ALA  31          2HB       ALA  31   7.053  -9.156  -6.234
  230   3HB   ALA  31          3HB       ALA  31   6.748 -10.768  -5.540
  231    H    GLU  32           H        GLU  32   5.496 -11.440  -3.565
  232    HA   GLU  32           HA       GLU  32   3.245 -12.625  -4.864
  233   1HB   GLU  32          1HB       GLU  32   5.448 -13.681  -3.991
  234   2HB   GLU  32          2HB       GLU  32   4.681 -13.678  -2.396
  235   1HG   GLU  32          1HG       GLU  32   4.348 -15.846  -3.460
  236   2HG   GLU  32          2HG       GLU  32   2.804 -14.980  -3.345
  237    H    ASP  33           H        ASP  33   3.742 -11.160  -1.691
  238    HA   ASP  33           HA       ASP  33   1.146 -11.706  -0.583
  239   1HB   ASP  33          1HB       ASP  33   2.945 -11.167   0.908
  240   2HB   ASP  33          2HB       ASP  33   3.348  -9.701   0.010
  241    H    LEU  34           H        LEU  34   2.702  -8.987  -2.384
  242    HA   LEU  34           HA       LEU  34   0.414  -7.305  -2.322
  243   1HB   LEU  34          1HB       LEU  34   2.720  -6.567  -2.765
  244   2HB   LEU  34          2HB       LEU  34   2.697  -7.382  -4.321
  245    HG   LEU  34           HG       LEU  34   0.315  -5.666  -4.147
  246   1HD1  LEU  34          1HD1      LEU  34   2.960  -4.275  -3.534
  247   2HD1  LEU  34          2HD1      LEU  34   1.569  -4.420  -2.448
  248   3HD1  LEU  34          3HD1      LEU  34   1.412  -3.481  -3.941
  249   1HD2  LEU  34          1HD2      LEU  34   2.862  -5.375  -5.806
  250   2HD2  LEU  34          2HD2      LEU  34   1.254  -4.686  -6.168
  251   3HD2  LEU  34          3HD2      LEU  34   1.518  -6.442  -6.216
  252    H    ARG  35           H        ARG  35   1.445  -9.795  -4.840
  253    HA   ARG  35           HA       ARG  35  -0.756  -9.423  -6.536
  254   1HB   ARG  35          1HB       ARG  35   1.327 -10.815  -6.924
  255   2HB   ARG  35          2HB       ARG  35   0.733 -11.950  -5.710
  256   1HG   ARG  35          1HG       ARG  35  -1.438 -11.889  -7.287
  257   2HG   ARG  35          2HG       ARG  35  -0.262 -11.351  -8.486
  258   1HD   ARG  35          1HD       ARG  35   0.335 -13.458  -8.779
  259   2HD   ARG  35          2HD       ARG  35   1.001 -13.531  -7.184
  260    HE   ARG  35           HE       ARG  35  -1.781 -14.347  -7.944
  261   1HH1  ARG  35          1HH1      ARG  35   0.847 -14.748  -5.534
  262   2HH1  ARG  35          2HH1      ARG  35  -0.305 -14.900  -4.219
  263   1HH2  ARG  35          1HH2      ARG  35  -3.152 -14.966  -6.344
  264   2HH2  ARG  35          2HH2      ARG  35  -2.535 -15.537  -4.795
  265    H    THR  36           H        THR  36  -0.312 -11.757  -3.787
  266    HA   THR  36           HA       THR  36  -2.834 -12.876  -4.039
  267    HB   THR  36           HB       THR  36  -1.329 -12.431  -1.430
  268    HG1  THR  36           HG1      THR  36   0.112 -13.388  -2.777
  269   1HG2  THR  36          1HG2      THR  36  -3.564 -13.401  -1.051
  270   2HG2  THR  36          2HG2      THR  36  -2.312 -14.619  -0.767
  271   3HG2  THR  36          3HG2      THR  36  -3.250 -14.650  -2.277
  272    H    LEU  37           H        LEU  37  -1.943  -9.886  -2.163
  273    HA   LEU  37           HA       LEU  37  -4.566  -9.811  -0.956
  274   1HB   LEU  37          1HB       LEU  37  -3.848  -8.026   0.314
  275   2HB   LEU  37          2HB       LEU  37  -2.424  -9.019   0.120
  276    HG   LEU  37           HG       LEU  37  -1.909  -7.318  -1.893
  277   1HD1  LEU  37          1HD1      LEU  37  -2.622  -5.016  -1.316
  278   2HD1  LEU  37          2HD1      LEU  37  -3.624  -5.634   0.005
  279   3HD1  LEU  37          3HD1      LEU  37  -4.038  -5.997  -1.678
  280   1HD2  LEU  37          1HD2      LEU  37  -0.484  -7.659   0.086
  281   2HD2  LEU  37          2HD2      LEU  37  -1.530  -6.604   1.046
  282   3HD2  LEU  37          3HD2      LEU  37  -0.598  -5.943  -0.316
  283    H    GLN  38           H        GLN  38  -2.938  -8.286  -3.819
  284    HA   GLN  38           HA       GLN  38  -5.101  -6.506  -4.251
  285   1HB   GLN  38          1HB       GLN  38  -4.152  -5.860  -6.126
  286   2HB   GLN  38          2HB       GLN  38  -2.793  -6.493  -5.247
  287   1HG   GLN  38          1HG       GLN  38  -3.077  -8.622  -6.745
  288   2HG   GLN  38          2HG       GLN  38  -4.198  -7.719  -7.699
  289   1HE2  GLN  38          1HE2      GLN  38  -1.001  -7.130  -6.091
  290   2HE2  GLN  38          2HE2      GLN  38  -0.233  -6.488  -7.560
  291    H    GLN  39           H        GLN  39  -4.607  -9.963  -5.053
  292    HA   GLN  39           HA       GLN  39  -6.933 -10.145  -6.703
  293   1HB   GLN  39          1HB       GLN  39  -6.009 -12.630  -5.339
  294   2HB   GLN  39          2HB       GLN  39  -6.561 -12.354  -6.992
  295   1HG   GLN  39          1HG       GLN  39  -4.249 -10.881  -6.986
  296   2HG   GLN  39          2HG       GLN  39  -3.880 -12.137  -5.785
  297   1HE2  GLN  39          1HE2      GLN  39  -3.618 -11.224  -8.925
  298   2HE2  GLN  39          2HE2      GLN  39  -3.077 -12.767  -9.514
  299    H    LEU  40           H        LEU  40  -6.395 -10.526  -3.178
  300    HA   LEU  40           HA       LEU  40  -9.057 -11.406  -2.571
  301   1HB   LEU  40          1HB       LEU  40  -7.150  -9.691  -0.929
  302   2HB   LEU  40          2HB       LEU  40  -8.684 -10.301  -0.340
  303    HG   LEU  40           HG       LEU  40  -6.371 -12.059  -1.250
  304   1HD1  LEU  40          1HD1      LEU  40  -7.388 -11.398   1.545
  305   2HD1  LEU  40          2HD1      LEU  40  -5.883 -10.796   0.819
  306   3HD1  LEU  40          3HD1      LEU  40  -6.072 -12.523   1.140
  307   1HD2  LEU  40          1HD2      LEU  40  -7.663 -13.881  -0.134
  308   2HD2  LEU  40          2HD2      LEU  40  -8.474 -13.253  -1.565
  309   3HD2  LEU  40          3HD2      LEU  40  -9.035 -12.767   0.054
  310    H    PHE  41           H        PHE  41  -7.724  -8.057  -2.838
  311    HA   PHE  41           HA       PHE  41 -10.263  -6.761  -2.417
  312   1HB   PHE  41          1HB       PHE  41  -7.673  -5.895  -3.703
  313   2HB   PHE  41          2HB       PHE  41  -9.108  -4.907  -3.848
  314    HD1  PHE  41           HD1      PHE  41  -9.588  -3.249  -2.227
  315    HD2  PHE  41           HD2      PHE  41  -7.003  -6.544  -1.158
  316    HE1  PHE  41           HE1      PHE  41  -8.928  -2.095  -0.151
  317    HE2  PHE  41           HE2      PHE  41  -6.342  -5.367   0.885
  318    HZ   PHE  41           HZ       PHE  41  -7.251  -3.115   1.369
  319    H    LEU  42           H        LEU  42  -8.627  -7.851  -5.415
  320    HA   LEU  42           HA       LEU  42 -10.554  -6.996  -7.276
  321   1HB   LEU  42          1HB       LEU  42  -8.243  -7.892  -7.712
  322   2HB   LEU  42          2HB       LEU  42  -8.837  -9.496  -7.272
  323    HG   LEU  42           HG       LEU  42 -10.385  -9.437  -9.233
  324   1HD1  LEU  42          1HD1      LEU  42 -10.558  -6.996  -9.559
  325   2HD1  LEU  42          2HD1      LEU  42  -9.898  -7.756 -11.010
  326   3HD1  LEU  42          3HD1      LEU  42  -8.813  -6.894  -9.896
  327   1HD2  LEU  42          1HD2      LEU  42  -8.566  -9.849 -10.861
  328   2HD2  LEU  42          2HD2      LEU  42  -8.197 -10.573  -9.290
  329   3HD2  LEU  42          3HD2      LEU  42  -7.402  -9.057  -9.776
  330    H    SER  43           H        SER  43 -10.421 -10.014  -5.338
  331    HA   SER  43           HA       SER  43 -12.695 -11.248  -6.541
  332   1HB   SER  43          1HB       SER  43 -10.900 -12.456  -5.345
  333   2HB   SER  43          2HB       SER  43 -11.351 -11.693  -3.829
  334    HG   SER  43           HG       SER  43 -13.372 -12.773  -3.928
  335    H    THR  44           H        THR  44 -12.295  -9.746  -3.294
  336    HA   THR  44           HA       THR  44 -15.133  -9.236  -3.102
  337    HB   THR  44           HB       THR  44 -13.974 -11.406  -1.301
  338    HG1  THR  44           HG1      THR  44 -15.121 -11.625  -3.851
  339   1HG2  THR  44          1HG2      THR  44 -16.344 -12.099  -1.055
  340   2HG2  THR  44          2HG2      THR  44 -16.848 -10.739  -2.085
  341   3HG2  THR  44          3HG2      THR  44 -16.093 -10.437  -0.503
  342    H    LEU  45           H        LEU  45 -11.927  -9.026  -1.631
  343    HA   LEU  45           HA       LEU  45 -12.887  -7.821   0.839
  344   1HB   LEU  45          1HB       LEU  45 -10.753  -9.048   0.696
  345   2HB   LEU  45          2HB       LEU  45 -10.153  -7.894  -0.489
  346    HG   LEU  45           HG       LEU  45 -10.105  -6.107   1.180
  347   1HD1  LEU  45          1HD1      LEU  45 -11.964  -6.820   2.691
  348   2HD1  LEU  45          2HD1      LEU  45 -10.459  -6.604   3.580
  349   3HD1  LEU  45          3HD1      LEU  45 -11.018  -8.241   3.173
  350   1HD2  LEU  45          1HD2      LEU  45  -8.249  -6.981   2.501
  351   2HD2  LEU  45          2HD2      LEU  45  -8.157  -7.630   0.857
  352   3HD2  LEU  45          3HD2      LEU  45  -8.754  -8.655   2.175
  353    H    SER  46           H        SER  46 -12.508  -5.485   1.371
  354    HA   SER  46           HA       SER  46 -11.721  -3.595  -0.566
  355   1HB   SER  46          1HB       SER  46 -14.697  -3.819   0.090
  356   2HB   SER  46          2HB       SER  46 -13.948  -2.320  -0.501
  357    HG   SER  46           HG       SER  46 -13.429  -4.712  -1.892
  358    H    PHE  47           H        PHE  47 -12.211  -1.294   0.587
  359    HA   PHE  47           HA       PHE  47 -11.551  -1.703   3.446
  360   1HB   PHE  47          1HB       PHE  47 -10.077  -0.400   1.215
  361   2HB   PHE  47          2HB       PHE  47 -10.312   0.640   2.583
  362    HD1  PHE  47           HD1      PHE  47  -8.067   0.812   3.291
  363    HD2  PHE  47           HD2      PHE  47  -9.789  -3.122   2.819
  364    HE1  PHE  47           HE1      PHE  47  -6.169  -0.183   4.534
  365    HE2  PHE  47           HE2      PHE  47  -7.922  -4.087   4.088
  366    HZ   PHE  47           HZ       PHE  47  -6.095  -2.633   4.943
  367    H    VAL  48           H        VAL  48 -11.654   0.691   4.443
  368    HA   VAL  48           HA       VAL  48 -14.119   1.992   3.705
  369    HB   VAL  48           HB       VAL  48 -13.611   0.828   6.485
  370   1HG1  VAL  48          1HG1      VAL  48 -15.877   1.694   7.017
  371   2HG1  VAL  48          2HG1      VAL  48 -14.756   2.989   6.616
  372   3HG1  VAL  48          3HG1      VAL  48 -15.944   2.461   5.404
  373   1HG2  VAL  48          1HG2      VAL  48 -15.722   0.086   4.403
  374   2HG2  VAL  48          2HG2      VAL  48 -14.413  -0.954   5.001
  375   3HG2  VAL  48          3HG2      VAL  48 -15.709  -0.479   6.090
  376    H    CYS  49           H        CYS  49 -13.844   4.220   4.017
  377    HA   CYS  49           HA       CYS  49 -11.193   5.143   4.785
  378   1HB   CYS  49          1HB       CYS  49 -12.147   7.392   4.429
  379   2HB   CYS  49          2HB       CYS  49 -12.410   6.331   3.059
  380    HA   PRO  50           HA       PRO  50 -11.837   5.382   9.090
  381   1HB   PRO  50          1HB       PRO  50 -10.561   7.710   9.901
  382   2HB   PRO  50          2HB       PRO  50  -9.745   6.185   9.445
  383   1HG   PRO  50          1HG       PRO  50 -10.254   8.618   7.713
  384   2HG   PRO  50          2HG       PRO  50  -8.737   7.678   7.889
  385   1HD   PRO  50          1HD       PRO  50 -10.396   7.262   5.798
  386   2HD   PRO  50          2HD       PRO  50  -9.606   5.875   6.606
  387    H    TRP  51           H        TRP  51 -12.884   8.218   7.245
  388    HA   TRP  51           HA       TRP  51 -14.655   9.329   9.186
  389   1HB   TRP  51          1HB       TRP  51 -14.044  10.543   7.163
  390   2HB   TRP  51          2HB       TRP  51 -14.793   9.312   6.149
  391    HD1  TRP  51           HD1      TRP  51 -15.768  11.973   8.767
  392    HE1  TRP  51           HE1      TRP  51 -18.230  12.638   8.438
  393    HE3  TRP  51           HE3      TRP  51 -16.986   8.786   4.947
  394    HZ2  TRP  51           HZ2      TRP  51 -20.451  11.850   6.788
  395    HZ3  TRP  51           HZ3      TRP  51 -19.285   8.761   4.024
  396    HH2  TRP  51           HH2      TRP  51 -21.024  10.277   4.943
  397    H    CYS  52           H        CYS  52 -15.357   6.974   6.490
  398    HA   CYS  52           HA       CYS  52 -18.008   6.396   7.370
  399   1HB   CYS  52          1HB       CYS  52 -15.997   4.922   5.652
  400   2HB   CYS  52          2HB       CYS  52 -17.553   4.223   6.066
  401    H    ALA  53           H        ALA  53 -14.844   4.922   8.273
  402    HA   ALA  53           HA       ALA  53 -15.945   2.767   9.778
  403   1HB   ALA  53          1HB       ALA  53 -13.539   2.980   9.141
  404   2HB   ALA  53          2HB       ALA  53 -13.368   4.293  10.335
  405   3HB   ALA  53          3HB       ALA  53 -13.775   2.656  10.871
  406    H    THR  54           H        THR  54 -15.243   6.155  10.685
  407    HA   THR  54           HA       THR  54 -16.019   5.836  13.448
  408    HB   THR  54           HB       THR  54 -15.766   8.391  11.798
  409    HG1  THR  54           HG1      THR  54 -13.842   7.314  11.583
  410   1HG2  THR  54          1HG2      THR  54 -15.103   9.403  13.963
  411   2HG2  THR  54          2HG2      THR  54 -15.421   7.860  14.784
  412   3HG2  THR  54          3HG2      THR  54 -16.755   8.765  14.032
  413    H    ASN  55           H        ASN  55 -17.690   6.942  10.498
  414    HA   ASN  55           HA       ASN  55 -20.114   7.759  11.958
  415   1HB   ASN  55          1HB       ASN  55 -19.441   7.636   8.985
  416   2HB   ASN  55          2HB       ASN  55 -21.022   8.100   9.609
  417   1HD2  ASN  55          1HD2      ASN  55 -17.549   8.943   9.938
  418   2HD2  ASN  55          2HD2      ASN  55 -17.865  10.607  10.395
  419    H    GLN  56           H        GLN  56 -18.880   4.918  10.700
  420    HA   GLN  56           HA       GLN  56 -19.446   2.885  10.436
  421   1HB   GLN  56          1HB       GLN  56 -21.009   1.661  11.632
  422   2HB   GLN  56          2HB       GLN  56 -20.053   2.749  12.658
  423   1HG   GLN  56          1HG       GLN  56 -21.833   4.272  12.869
  424   2HG   GLN  56          2HG       GLN  56 -22.781   3.443  11.599
  425   1HE2  GLN  56          1HE2      GLN  56 -24.634   2.870  12.831
  426   2HE2  GLN  56          2HE2      GLN  56 -24.523   1.824  14.247
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1  10.655   6.918 -11.744
    2   1HA   GLY   1          1HA       GLY   1  12.287   7.890 -13.991
    3   2HA   GLY   1          2HA       GLY   1  10.555   7.478 -14.080
    4    H    SER   2           H        SER   2   9.765   9.669 -14.492
    5    HA   SER   2           HA       SER   2  10.411  11.898 -12.969
    6   1HB   SER   2          1HB       SER   2   7.678  11.296 -14.144
    7   2HB   SER   2          2HB       SER   2   8.501  12.862 -13.999
    8    HG   SER   2           HG       SER   2   8.707  12.127 -16.108
    9    H    HIS   3           H        HIS   3   8.601   9.109 -12.004
   10    HA   HIS   3           HA       HIS   3   8.252  10.249  -9.339
   11   1HB   HIS   3          1HB       HIS   3   6.169   8.554 -10.793
   12   2HB   HIS   3          2HB       HIS   3   6.204   8.795  -9.052
   13    HD1  HIS   3           HD1      HIS   3   6.997  12.097 -10.432
   14    HD2  HIS   3           HD2      HIS   3   3.575   9.677  -9.955
   15    HE1  HIS   3           HE1      HIS   3   4.961  13.656 -10.514
   16    H    MET   4           H        MET   4   8.149   8.271  -7.764
   17    HA   MET   4           HA       MET   4  10.417   6.602  -8.558
   18   1HB   MET   4          1HB       MET   4  10.823   6.264  -6.291
   19   2HB   MET   4          2HB       MET   4  10.365   7.951  -6.417
   20   1HG   MET   4          1HG       MET   4   8.694   5.633  -5.377
   21   2HG   MET   4          2HG       MET   4   9.412   6.917  -4.430
   22   1HE   MET   4          1HE       MET   4   8.703   9.611  -5.898
   23   2HE   MET   4          2HE       MET   4   7.146  10.000  -5.137
   24   3HE   MET   4          3HE       MET   4   8.468   9.328  -4.158
   25    H    ALA   5           H        ALA   5  10.515   4.337  -8.205
   26    HA   ALA   5           HA       ALA   5   8.216   2.907  -7.278
   27   1HB   ALA   5          1HB       ALA   5   8.478   1.149  -9.025
   28   2HB   ALA   5          2HB       ALA   5   7.920   2.678  -9.732
   29   3HB   ALA   5          3HB       ALA   5   9.623   2.187  -9.901
   30    H    GLU   6           H        GLU   6   9.073   1.219  -5.884
   31    HA   GLU   6           HA       GLU   6  11.998   0.988  -5.700
   32   1HB   GLU   6          1HB       GLU   6   9.964   1.868  -3.600
   33   2HB   GLU   6          2HB       GLU   6  11.599   1.370  -3.192
   34   1HG   GLU   6          1HG       GLU   6  12.576   3.257  -4.312
   35   2HG   GLU   6          2HG       GLU   6  11.048   3.706  -5.071
   36    HA   PRO   7           HA       PRO   7  10.515  -3.188  -4.346
   37   1HB   PRO   7          1HB       PRO   7  12.279  -3.782  -2.351
   38   2HB   PRO   7          2HB       PRO   7  12.716  -3.887  -4.086
   39   1HG   PRO   7          1HG       PRO   7  13.315  -1.646  -2.138
   40   2HG   PRO   7          2HG       PRO   7  14.417  -2.408  -3.330
   41   1HD   PRO   7          1HD       PRO   7  13.115  -0.046  -3.793
   42   2HD   PRO   7          2HD       PRO   7  13.455  -1.192  -5.114
   43    H    GLN   8           H        GLN   8   9.178  -3.870  -2.715
   44    HA   GLN   8           HA       GLN   8   7.605  -3.797  -1.410
   45   1HB   GLN   8          1HB       GLN   8   9.417  -2.214   0.323
   46   2HB   GLN   8          2HB       GLN   8   7.965  -3.156   0.789
   47   1HG   GLN   8          1HG       GLN   8  10.603  -4.218  -0.215
   48   2HG   GLN   8          2HG       GLN   8   9.904  -4.403   1.386
   49   1HE2  GLN   8          1HE2      GLN   8   7.307  -5.359   1.030
   50   2HE2  GLN   8          2HE2      GLN   8   7.489  -6.920   0.232
   51    H    ARG   9           H        ARG   9   8.757  -0.362  -1.207
   52    HA   ARG   9           HA       ARG   9   6.400   0.627  -0.375
   53   1HB   ARG   9          1HB       ARG   9   8.722   1.642  -0.434
   54   2HB   ARG   9          2HB       ARG   9   8.321   2.286  -2.012
   55   1HG   ARG   9          1HG       ARG   9   6.137   2.936  -0.658
   56   2HG   ARG   9          2HG       ARG   9   7.277   2.837   0.633
   57   1HD   ARG   9          1HD       ARG   9   7.522   4.483  -1.773
   58   2HD   ARG   9          2HD       ARG   9   7.116   5.058  -0.121
   59    HE   ARG   9           HE       ARG   9   9.653   4.736  -1.305
   60   1HH1  ARG   9          1HH1      ARG   9   8.419   3.381   1.965
   61   2HH1  ARG   9          2HH1      ARG   9   9.976   3.532   2.591
   62   1HH2  ARG   9          1HH2      ARG   9  11.591   4.381  -0.426
   63   2HH2  ARG   9          2HH2      ARG   9  11.843   4.035   1.272
   64    H    HIS  10           H        HIS  10   4.646   0.152  -1.281
   65    HA   HIS  10           HA       HIS  10   4.142   1.045  -4.138
   66   1HB   HIS  10          1HB       HIS  10   2.869  -1.313  -2.756
   67   2HB   HIS  10          2HB       HIS  10   2.568  -0.787  -4.404
   68    HD1  HIS  10           HD1      HIS  10   4.123  -3.575  -3.133
   69    HD2  HIS  10           HD2      HIS  10   5.794  -0.320  -5.143
   70    HE1  HIS  10           HE1      HIS  10   6.229  -4.422  -4.257
   71    H    LYS  11           H        LYS  11   2.067   1.862  -4.649
   72    HA   LYS  11           HA       LYS  11   0.642   3.024  -2.301
   73   1HB   LYS  11          1HB       LYS  11   1.620   4.434  -4.803
   74   2HB   LYS  11          2HB       LYS  11   0.352   5.040  -3.743
   75   1HG   LYS  11          1HG       LYS  11   2.175   6.106  -2.927
   76   2HG   LYS  11          2HG       LYS  11   1.933   4.836  -1.781
   77   1HD   LYS  11          1HD       LYS  11   4.315   5.291  -2.212
   78   2HD   LYS  11          2HD       LYS  11   3.887   3.629  -2.534
   79   1HE   LYS  11          1HE       LYS  11   3.778   4.192  -5.001
   80   2HE   LYS  11          2HE       LYS  11   4.341   5.821  -4.602
   81   1HZ   LYS  11          1HZ       LYS  11   5.869   3.324  -4.037
   82   2HZ   LYS  11          2HZ       LYS  11   6.375   4.867  -3.761
   83   3HZ   LYS  11          3HZ       LYS  11   6.139   4.357  -5.295
   84    H    ILE  12           H        ILE  12  -0.787   1.516  -2.386
   85    HA   ILE  12           HA       ILE  12  -2.106   0.763  -4.961
   86    HB   ILE  12           HB       ILE  12  -2.486  -0.589  -2.266
   87   1HG1  ILE  12          1HG1      ILE  12  -0.680  -1.424  -4.578
   88   2HG1  ILE  12          2HG1      ILE  12  -0.137  -0.812  -3.012
   89   1HG2  ILE  12          1HG2      ILE  12  -4.369  -0.815  -3.880
   90   2HG2  ILE  12          2HG2      ILE  12  -3.238  -1.403  -5.113
   91   3HG2  ILE  12          3HG2      ILE  12  -3.553  -2.349  -3.638
   92   1HD1  ILE  12          1HD1      ILE  12  -1.535  -3.449  -3.540
   93   2HD1  ILE  12          2HD1      ILE  12   0.082  -3.160  -2.879
   94   3HD1  ILE  12          3HD1      ILE  12  -1.340  -2.756  -1.910
   95    H    LEU  13           H        LEU  13  -3.434   2.449  -5.381
   96    HA   LEU  13           HA       LEU  13  -5.150   3.664  -3.443
   97   1HB   LEU  13          1HB       LEU  13  -4.221   4.689  -5.535
   98   2HB   LEU  13          2HB       LEU  13  -5.416   3.795  -6.468
   99    HG   LEU  13           HG       LEU  13  -6.504   5.309  -4.103
  100   1HD1  LEU  13          1HD1      LEU  13  -5.232   6.714  -6.473
  101   2HD1  LEU  13          2HD1      LEU  13  -4.785   6.849  -4.757
  102   3HD1  LEU  13          3HD1      LEU  13  -6.335   7.492  -5.325
  103   1HD2  LEU  13          1HD2      LEU  13  -8.014   4.216  -5.736
  104   2HD2  LEU  13          2HD2      LEU  13  -7.334   5.213  -7.040
  105   3HD2  LEU  13          3HD2      LEU  13  -8.249   5.966  -5.718
  106    H    CYS  14           H        CYS  14  -6.373   2.241  -2.409
  107    HA   CYS  14           HA       CYS  14  -8.266   0.453  -3.829
  108   1HB   CYS  14          1HB       CYS  14  -7.058  -0.236  -1.717
  109   2HB   CYS  14          2HB       CYS  14  -7.907   1.044  -0.845
  110    HG   CYS  14           HG       CYS  14 -10.333   0.080  -1.155
  111    H    VAL  15           H        VAL  15 -10.625   0.751  -2.999
  112    HA   VAL  15           HA       VAL  15 -11.210   3.535  -2.242
  113    HB   VAL  15           HB       VAL  15 -13.392   3.373  -3.398
  114   1HG1  VAL  15          1HG1      VAL  15 -10.972   3.230  -5.242
  115   2HG1  VAL  15          2HG1      VAL  15 -12.552   3.961  -5.605
  116   3HG1  VAL  15          3HG1      VAL  15 -11.531   4.661  -4.344
  117   1HG2  VAL  15          1HG2      VAL  15 -12.189   0.988  -4.881
  118   2HG2  VAL  15          2HG2      VAL  15 -13.515   0.898  -3.696
  119   3HG2  VAL  15          3HG2      VAL  15 -13.739   1.780  -5.212
  120    H    CYS  16           H        CYS  16 -12.958   3.776  -0.883
  121    HA   CYS  16           HA       CYS  16 -13.524   1.626   1.015
  122   1HB   CYS  16          1HB       CYS  16 -13.390   4.075   1.620
  123   2HB   CYS  16          2HB       CYS  16 -14.792   4.362   0.586
  124    H    CYS  17           H        CYS  17 -14.801   0.005   0.190
  125    HA   CYS  17           HA       CYS  17 -16.443   0.148  -2.027
  126   1HB   CYS  17          1HB       CYS  17 -15.404  -1.875  -0.934
  127   2HB   CYS  17          2HB       CYS  17 -16.740  -1.866   0.235
  128    HG   CYS  17           HG       CYS  17 -18.543  -1.742  -1.832
  129    H    LYS  18           H        LYS  18 -17.391   1.667   0.897
  130    HA   LYS  18           HA       LYS  18 -20.246   1.406   0.140
  131   1HB   LYS  18          1HB       LYS  18 -20.678   2.187   2.463
  132   2HB   LYS  18          2HB       LYS  18 -20.124   0.523   2.238
  133   1HG   LYS  18          1HG       LYS  18 -17.983   0.997   3.157
  134   2HG   LYS  18          2HG       LYS  18 -18.232   2.743   3.055
  135   1HD   LYS  18          1HD       LYS  18 -18.413   1.661   5.366
  136   2HD   LYS  18          2HD       LYS  18 -19.676   2.796   4.929
  137   1HE   LYS  18          1HE       LYS  18 -21.049   0.747   4.151
  138   2HE   LYS  18          2HE       LYS  18 -19.855  -0.242   5.015
  139   1HZ   LYS  18          1HZ       LYS  18 -21.867   0.452   6.344
  140   2HZ   LYS  18          2HZ       LYS  18 -21.277   2.023   6.297
  141   3HZ   LYS  18          3HZ       LYS  18 -20.429   0.958   7.031
  142    H    CYS  19           H        CYS  19 -17.614   3.829   0.406
  143    HA   CYS  19           HA       CYS  19 -19.671   5.766  -0.502
  144   1HB   CYS  19          1HB       CYS  19 -18.364   7.437   0.530
  145   2HB   CYS  19          2HB       CYS  19 -18.808   6.235   1.734
  146    H    ASP  20           H        ASP  20 -17.185   3.877  -1.676
  147    HA   ASP  20           HA       ASP  20 -15.738   3.878  -3.300
  148   1HB   ASP  20          1HB       ASP  20 -17.758   4.511  -4.613
  149   2HB   ASP  20          2HB       ASP  20 -17.239   6.193  -4.512
  150    H    GLY  21           H        GLY  21 -15.368   5.644  -0.911
  151   1HA   GLY  21          1HA       GLY  21 -13.927   7.996  -1.754
  152   2HA   GLY  21          2HA       GLY  21 -13.903   7.344  -0.116
  153    H    ARG  22           H        ARG  22 -11.834   8.365  -1.843
  154    HA   ARG  22           HA       ARG  22 -10.140   6.320  -2.947
  155   1HB   ARG  22          1HB       ARG  22 -10.220   8.595  -3.781
  156   2HB   ARG  22          2HB       ARG  22  -9.717   9.268  -2.238
  157   1HG   ARG  22          1HG       ARG  22  -7.910   7.355  -3.731
  158   2HG   ARG  22          2HG       ARG  22  -8.064   9.035  -4.250
  159   1HD   ARG  22          1HD       ARG  22  -7.534   9.551  -1.683
  160   2HD   ARG  22          2HD       ARG  22  -6.824   7.942  -1.734
  161    HE   ARG  22           HE       ARG  22  -5.064   8.754  -3.089
  162   1HH1  ARG  22          1HH1      ARG  22  -7.539  11.288  -2.882
  163   2HH1  ARG  22          2HH1      ARG  22  -6.505  12.499  -3.573
  164   1HH2  ARG  22          1HH2      ARG  22  -3.803  10.183  -3.906
  165   2HH2  ARG  22          2HH2      ARG  22  -4.239  11.866  -4.215
  166    H    ILE  23           H        ILE  23  -8.843   4.895  -1.807
  167    HA   ILE  23           HA       ILE  23  -7.643   5.933   0.694
  168    HB   ILE  23           HB       ILE  23  -8.164   2.982   0.312
  169   1HG1  ILE  23          1HG1      ILE  23 -10.108   4.865   1.697
  170   2HG1  ILE  23          2HG1      ILE  23 -10.395   4.062   0.148
  171   1HG2  ILE  23          1HG2      ILE  23  -7.880   4.750   2.785
  172   2HG2  ILE  23          2HG2      ILE  23  -7.775   2.974   2.710
  173   3HG2  ILE  23          3HG2      ILE  23  -6.514   3.965   1.982
  174   1HD1  ILE  23          1HD1      ILE  23 -10.009   2.607   2.778
  175   2HD1  ILE  23          2HD1      ILE  23 -11.509   2.810   1.872
  176   3HD1  ILE  23          3HD1      ILE  23 -10.200   1.855   1.169
  177    H    GLU  24           H        GLU  24  -5.632   6.502  -0.023
  178    HA   GLU  24           HA       GLU  24  -4.249   4.882  -2.022
  179   1HB   GLU  24          1HB       GLU  24  -4.387   7.401  -1.898
  180   2HB   GLU  24          2HB       GLU  24  -3.203   7.351  -0.597
  181   1HG   GLU  24          1HG       GLU  24  -1.544   6.346  -2.058
  182   2HG   GLU  24          2HG       GLU  24  -2.755   5.994  -3.300
  183    H    LEU  25           H        LEU  25  -3.789   2.899  -1.072
  184    HA   LEU  25           HA       LEU  25  -2.716   2.747   1.612
  185   1HB   LEU  25          1HB       LEU  25  -2.777   0.532  -0.445
  186   2HB   LEU  25          2HB       LEU  25  -2.685   0.383   1.294
  187    HG   LEU  25           HG       LEU  25  -5.104   1.423  -0.262
  188   1HD1  LEU  25          1HD1      LEU  25  -4.718  -0.933  -0.712
  189   2HD1  LEU  25          2HD1      LEU  25  -6.112  -0.751   0.372
  190   3HD1  LEU  25          3HD1      LEU  25  -4.541  -1.273   1.026
  191   1HD2  LEU  25          1HD2      LEU  25  -4.955   2.306   2.079
  192   2HD2  LEU  25          2HD2      LEU  25  -4.816   0.644   2.685
  193   3HD2  LEU  25          3HD2      LEU  25  -6.303   1.175   1.873
  194    H    THR  26           H        THR  26  -0.822   4.094   1.423
  195    HA   THR  26           HA       THR  26   1.492   3.211  -0.068
  196    HB   THR  26           HB       THR  26   1.343   4.744   2.556
  197    HG1  THR  26           HG1      THR  26   1.329   6.533   1.250
  198   1HG2  THR  26          1HG2      THR  26   3.624   3.883   2.064
  199   2HG2  THR  26          2HG2      THR  26   3.554   5.637   1.850
  200   3HG2  THR  26          3HG2      THR  26   3.536   4.569   0.428
  201    H    VAL  27           H        VAL  27   1.880   1.006   0.105
  202    HA   VAL  27           HA       VAL  27   2.368  -0.073   2.811
  203    HB   VAL  27           HB       VAL  27   1.265  -2.199   2.205
  204   1HG1  VAL  27          1HG1      VAL  27   0.237  -0.518   3.695
  205   2HG1  VAL  27          2HG1      VAL  27  -0.586   0.213   2.308
  206   3HG1  VAL  27          3HG1      VAL  27  -0.979  -1.448   2.802
  207   1HG2  VAL  27          1HG2      VAL  27   1.049  -2.015  -0.251
  208   2HG2  VAL  27          2HG2      VAL  27  -0.518  -2.266   0.521
  209   3HG2  VAL  27          3HG2      VAL  27  -0.069  -0.657  -0.063
  210    H    GLU  28           H        GLU  28   4.171  -1.062   3.005
  211    HA   GLU  28           HA       GLU  28   5.873  -1.434   0.708
  212   1HB   GLU  28          1HB       GLU  28   6.304  -1.211   3.630
  213   2HB   GLU  28          2HB       GLU  28   7.423  -2.233   2.750
  214   1HG   GLU  28          1HG       GLU  28   8.430  -0.154   2.687
  215   2HG   GLU  28          2HG       GLU  28   7.738  -0.298   1.132
  216    H    SER  29           H        SER  29   5.198  -3.095  -0.471
  217    HA   SER  29           HA       SER  29   4.323  -5.658   0.775
  218   1HB   SER  29          1HB       SER  29   2.466  -5.423  -0.970
  219   2HB   SER  29          2HB       SER  29   2.396  -4.294   0.394
  220    HG   SER  29           HG       SER  29   3.154  -2.648  -0.895
  221    H    SER  30           H        SER  30   4.702  -7.501  -0.650
  222    HA   SER  30           HA       SER  30   7.246  -6.922  -2.015
  223   1HB   SER  30          1HB       SER  30   5.947  -9.617  -1.470
  224   2HB   SER  30          2HB       SER  30   7.635  -9.301  -1.908
  225    HG   SER  30           HG       SER  30   7.349  -9.525   0.361
  226    H    ALA  31           H        ALA  31   4.902  -9.314  -3.168
  227    HA   ALA  31           HA       ALA  31   4.563  -8.153  -5.783
  228   1HB   ALA  31          1HB       ALA  31   6.868  -8.980  -6.177
  229   2HB   ALA  31          2HB       ALA  31   6.498 -10.531  -5.397
  230   3HB   ALA  31          3HB       ALA  31   5.735 -10.128  -6.940
  231    H    GLU  32           H        GLU  32   5.041 -11.318  -4.248
  232    HA   GLU  32           HA       GLU  32   2.668 -12.521  -5.293
  233   1HB   GLU  32          1HB       GLU  32   4.851 -13.606  -4.685
  234   2HB   GLU  32          2HB       GLU  32   4.510 -13.262  -2.978
  235   1HG   GLU  32          1HG       GLU  32   2.435 -14.558  -3.169
  236   2HG   GLU  32          2HG       GLU  32   2.806 -14.977  -4.848
  237    H    ASP  33           H        ASP  33   3.632 -11.039  -2.179
  238    HA   ASP  33           HA       ASP  33   1.157 -11.330  -0.783
  239   1HB   ASP  33          1HB       ASP  33   2.778 -10.822   0.698
  240   2HB   ASP  33          2HB       ASP  33   3.780 -10.010  -0.487
  241    H    LEU  34           H        LEU  34   2.541  -8.676  -2.776
  242    HA   LEU  34           HA       LEU  34   0.330  -6.913  -2.572
  243   1HB   LEU  34          1HB       LEU  34   2.432  -6.128  -3.405
  244   2HB   LEU  34          2HB       LEU  34   2.407  -7.221  -4.781
  245    HG   LEU  34           HG       LEU  34   0.052  -5.350  -4.522
  246   1HD1  LEU  34          1HD1      LEU  34   2.784  -4.384  -5.472
  247   2HD1  LEU  34          2HD1      LEU  34   1.978  -3.889  -3.967
  248   3HD1  LEU  34          3HD1      LEU  34   1.259  -3.471  -5.525
  249   1HD2  LEU  34          1HD2      LEU  34   1.781  -6.227  -6.891
  250   2HD2  LEU  34          2HD2      LEU  34   0.363  -5.164  -6.990
  251   3HD2  LEU  34          3HD2      LEU  34   0.164  -6.840  -6.495
  252    H    ARG  35           H        ARG  35   1.044  -9.462  -4.976
  253    HA   ARG  35           HA       ARG  35  -1.270  -9.070  -6.567
  254   1HB   ARG  35          1HB       ARG  35   0.731 -10.474  -7.171
  255   2HB   ARG  35          2HB       ARG  35   0.185 -11.718  -6.049
  256   1HG   ARG  35          1HG       ARG  35  -1.907 -11.994  -7.310
  257   2HG   ARG  35          2HG       ARG  35  -1.485 -10.624  -8.354
  258   1HD   ARG  35          1HD       ARG  35   0.493 -11.902  -9.197
  259   2HD   ARG  35          2HD       ARG  35   0.033 -13.258  -8.161
  260    HE   ARG  35           HE       ARG  35  -1.583 -13.869  -9.628
  261   1HH1  ARG  35          1HH1      ARG  35  -0.655 -10.564 -10.464
  262   2HH1  ARG  35          2HH1      ARG  35  -1.630 -10.471 -11.889
  263   1HH2  ARG  35          1HH2      ARG  35  -2.910 -13.769 -11.515
  264   2HH2  ARG  35          2HH2      ARG  35  -2.928 -12.352 -12.497
  265    H    THR  36           H        THR  36  -0.653 -11.366  -3.883
  266    HA   THR  36           HA       THR  36  -3.217 -12.492  -3.959
  267    HB   THR  36           HB       THR  36  -1.418 -12.184  -1.501
  268    HG1  THR  36           HG1      THR  36  -0.200 -13.102  -3.075
  269   1HG2  THR  36          1HG2      THR  36  -3.482 -14.323  -2.210
  270   2HG2  THR  36          2HG2      THR  36  -3.651 -13.104  -0.924
  271   3HG2  THR  36          3HG2      THR  36  -2.399 -14.353  -0.802
  272    H    LEU  37           H        LEU  37  -2.069  -9.701  -1.919
  273    HA   LEU  37           HA       LEU  37  -4.664  -9.409  -0.733
  274   1HB   LEU  37          1HB       LEU  37  -3.894  -7.573   0.397
  275   2HB   LEU  37          2HB       LEU  37  -2.464  -8.549   0.169
  276    HG   LEU  37           HG       LEU  37  -2.108  -6.939  -1.947
  277   1HD1  LEU  37          1HD1      LEU  37  -2.834  -4.633  -1.483
  278   2HD1  LEU  37          2HD1      LEU  37  -3.703  -5.170  -0.033
  279   3HD1  LEU  37          3HD1      LEU  37  -4.257  -5.660  -1.638
  280   1HD2  LEU  37          1HD2      LEU  37  -0.540  -7.167  -0.071
  281   2HD2  LEU  37          2HD2      LEU  37  -1.543  -6.088   0.917
  282   3HD2  LEU  37          3HD2      LEU  37  -0.724  -5.471  -0.537
  283    H    GLN  38           H        GLN  38  -3.272  -8.168  -3.802
  284    HA   GLN  38           HA       GLN  38  -5.336  -6.288  -4.363
  285   1HB   GLN  38          1HB       GLN  38  -3.306  -6.133  -5.544
  286   2HB   GLN  38          2HB       GLN  38  -3.312  -7.824  -5.980
  287   1HG   GLN  38          1HG       GLN  38  -5.377  -7.315  -7.436
  288   2HG   GLN  38          2HG       GLN  38  -4.913  -5.615  -7.243
  289   1HE2  GLN  38          1HE2      GLN  38  -2.463  -5.183  -7.749
  290   2HE2  GLN  38          2HE2      GLN  38  -1.742  -6.183  -9.000
  291    H    GLN  39           H        GLN  39  -4.962  -9.861  -4.938
  292    HA   GLN  39           HA       GLN  39  -7.283 -10.125  -6.561
  293   1HB   GLN  39          1HB       GLN  39  -6.260 -12.260  -4.698
  294   2HB   GLN  39          2HB       GLN  39  -7.276 -12.443  -6.117
  295   1HG   GLN  39          1HG       GLN  39  -4.344 -11.976  -5.936
  296   2HG   GLN  39          2HG       GLN  39  -5.224 -13.166  -6.858
  297   1HE2  GLN  39          1HE2      GLN  39  -3.803 -10.071  -6.856
  298   2HE2  GLN  39          2HE2      GLN  39  -4.128  -9.561  -8.500
  299    H    LEU  40           H        LEU  40  -6.774 -10.502  -3.019
  300    HA   LEU  40           HA       LEU  40  -9.476 -11.148  -2.380
  301   1HB   LEU  40          1HB       LEU  40  -7.334  -9.756  -0.722
  302   2HB   LEU  40          2HB       LEU  40  -8.870 -10.323  -0.074
  303    HG   LEU  40           HG       LEU  40  -6.799 -12.141  -1.386
  304   1HD1  LEU  40          1HD1      LEU  40  -5.958 -11.149   0.705
  305   2HD1  LEU  40          2HD1      LEU  40  -6.291 -12.874   0.906
  306   3HD1  LEU  40          3HD1      LEU  40  -7.428 -11.674   1.559
  307   1HD2  LEU  40          1HD2      LEU  40  -9.353 -12.765   0.164
  308   2HD2  LEU  40          2HD2      LEU  40  -8.122 -13.959  -0.303
  309   3HD2  LEU  40          3HD2      LEU  40  -9.035 -13.115  -1.552
  310    H    PHE  41           H        PHE  41  -7.845  -7.958  -2.607
  311    HA   PHE  41           HA       PHE  41 -10.148  -6.522  -1.621
  312   1HB   PHE  41          1HB       PHE  41  -7.588  -5.623  -2.974
  313   2HB   PHE  41          2HB       PHE  41  -8.856  -4.522  -2.476
  314    HD1  PHE  41           HD1      PHE  41  -7.299  -3.217  -1.133
  315    HD2  PHE  41           HD2      PHE  41  -8.022  -7.377  -0.173
  316    HE1  PHE  41           HE1      PHE  41  -6.098  -2.980   1.004
  317    HE2  PHE  41           HE2      PHE  41  -6.795  -7.103   1.921
  318    HZ   PHE  41           HZ       PHE  41  -5.812  -4.911   2.523
  319    H    LEU  42           H        LEU  42  -9.071  -7.573  -4.829
  320    HA   LEU  42           HA       LEU  42 -11.103  -6.009  -6.255
  321   1HB   LEU  42          1HB       LEU  42  -9.298  -8.357  -6.949
  322   2HB   LEU  42          2HB       LEU  42 -10.518  -7.769  -8.069
  323    HG   LEU  42           HG       LEU  42  -8.257  -6.032  -6.986
  324   1HD1  LEU  42          1HD1      LEU  42  -7.440  -7.929  -8.379
  325   2HD1  LEU  42          2HD1      LEU  42  -7.205  -6.365  -9.180
  326   3HD1  LEU  42          3HD1      LEU  42  -8.533  -7.433  -9.684
  327   1HD2  LEU  42          1HD2      LEU  42 -10.252  -5.581  -9.252
  328   2HD2  LEU  42          2HD2      LEU  42  -8.852  -4.547  -8.890
  329   3HD2  LEU  42          3HD2      LEU  42 -10.169  -4.679  -7.723
  330    H    SER  43           H        SER  43 -10.815  -9.283  -4.872
  331    HA   SER  43           HA       SER  43 -13.088 -10.403  -6.112
  332   1HB   SER  43          1HB       SER  43 -11.327 -11.776  -5.173
  333   2HB   SER  43          2HB       SER  43 -11.525 -11.063  -3.579
  334    HG   SER  43           HG       SER  43 -13.286 -12.817  -4.919
  335    H    THR  44           H        THR  44 -12.725  -9.471  -2.679
  336    HA   THR  44           HA       THR  44 -15.580  -9.086  -2.396
  337    HB   THR  44           HB       THR  44 -15.335 -10.970  -0.501
  338    HG1  THR  44           HG1      THR  44 -13.547 -11.972  -2.484
  339   1HG2  THR  44          1HG2      THR  44 -16.938 -11.088  -2.368
  340   2HG2  THR  44          2HG2      THR  44 -16.223 -12.663  -1.965
  341   3HG2  THR  44          3HG2      THR  44 -15.676 -11.786  -3.407
  342    H    LEU  45           H        LEU  45 -12.394  -9.249  -0.837
  343    HA   LEU  45           HA       LEU  45 -13.315  -8.019   1.638
  344   1HB   LEU  45          1HB       LEU  45 -11.325  -9.515   1.462
  345   2HB   LEU  45          2HB       LEU  45 -10.535  -8.330   0.419
  346    HG   LEU  45           HG       LEU  45 -10.377  -6.728   2.249
  347   1HD1  LEU  45          1HD1      LEU  45 -12.409  -7.211   3.565
  348   2HD1  LEU  45          2HD1      LEU  45 -10.985  -7.387   4.582
  349   3HD1  LEU  45          3HD1      LEU  45 -11.799  -8.835   3.951
  350   1HD2  LEU  45          1HD2      LEU  45  -9.494  -9.503   3.166
  351   2HD2  LEU  45          2HD2      LEU  45  -8.768  -7.944   3.617
  352   3HD2  LEU  45          3HD2      LEU  45  -8.654  -8.532   1.948
  353    H    SER  46           H        SER  46 -12.978  -5.689   2.228
  354    HA   SER  46           HA       SER  46 -11.699  -4.016   0.281
  355   1HB   SER  46          1HB       SER  46 -13.538  -2.354   0.485
  356   2HB   SER  46          2HB       SER  46 -13.947  -3.816  -0.444
  357    HG   SER  46           HG       SER  46 -15.099  -4.568   1.296
  358    H    PHE  47           H        PHE  47 -11.394  -1.855   1.317
  359    HA   PHE  47           HA       PHE  47 -10.112  -2.586   3.836
  360   1HB   PHE  47          1HB       PHE  47  -9.099  -1.517   1.674
  361   2HB   PHE  47          2HB       PHE  47  -9.679  -0.006   2.340
  362    HD1  PHE  47           HD1      PHE  47  -8.479   1.077   4.111
  363    HD2  PHE  47           HD2      PHE  47  -7.526  -2.984   3.059
  364    HE1  PHE  47           HE1      PHE  47  -6.444   1.191   5.538
  365    HE2  PHE  47           HE2      PHE  47  -5.486  -2.872   4.479
  366    HZ   PHE  47           HZ       PHE  47  -4.942  -0.785   5.715
  367    H    VAL  48           H        VAL  48 -12.579  -0.340   2.853
  368    HA   VAL  48           HA       VAL  48 -13.880   1.183   3.814
  369    HB   VAL  48           HB       VAL  48 -13.275  -0.198   6.443
  370   1HG1  VAL  48          1HG1      VAL  48 -14.371   1.989   6.775
  371   2HG1  VAL  48          2HG1      VAL  48 -15.609   1.571   5.567
  372   3HG1  VAL  48          3HG1      VAL  48 -15.506   0.682   7.102
  373   1HG2  VAL  48          1HG2      VAL  48 -15.379  -1.444   5.981
  374   2HG2  VAL  48          2HG2      VAL  48 -15.453  -0.715   4.361
  375   3HG2  VAL  48          3HG2      VAL  48 -14.130  -1.821   4.798
  376    H    CYS  49           H        CYS  49 -13.383   3.296   3.787
  377    HA   CYS  49           HA       CYS  49 -10.833   4.252   4.746
  378   1HB   CYS  49          1HB       CYS  49 -11.671   6.458   4.101
  379   2HB   CYS  49          2HB       CYS  49 -11.965   5.284   2.835
  380    HA   PRO  50           HA       PRO  50 -11.854   5.019   8.955
  381   1HB   PRO  50          1HB       PRO  50 -10.554   7.383   9.580
  382   2HB   PRO  50          2HB       PRO  50  -9.760   5.791   9.389
  383   1HG   PRO  50          1HG       PRO  50 -10.030   8.001   7.333
  384   2HG   PRO  50          2HG       PRO  50  -8.568   7.054   7.759
  385   1HD   PRO  50          1HD       PRO  50 -10.058   6.419   5.596
  386   2HD   PRO  50          2HD       PRO  50  -9.379   5.128   6.631
  387    H    TRP  51           H        TRP  51 -12.618   7.574   6.636
  388    HA   TRP  51           HA       TRP  51 -14.459   9.084   8.209
  389   1HB   TRP  51          1HB       TRP  51 -13.583   9.768   5.996
  390   2HB   TRP  51          2HB       TRP  51 -14.538   8.496   5.232
  391    HD1  TRP  51           HD1      TRP  51 -16.916   9.161   4.545
  392    HE1  TRP  51           HE1      TRP  51 -18.580  10.997   5.156
  393    HE3  TRP  51           HE3      TRP  51 -14.220  11.525   8.188
  394    HZ2  TRP  51           HZ2      TRP  51 -18.744  13.230   6.996
  395    HZ3  TRP  51           HZ3      TRP  51 -15.173  13.480   9.390
  396    HH2  TRP  51           HH2      TRP  51 -17.430  14.335   8.801
  397    H    CYS  52           H        CYS  52 -15.004   6.223   6.068
  398    HA   CYS  52           HA       CYS  52 -17.766   5.919   6.906
  399   1HB   CYS  52          1HB       CYS  52 -15.822   4.170   5.386
  400   2HB   CYS  52          2HB       CYS  52 -17.426   3.611   5.869
  401    H    ALA  53           H        ALA  53 -14.650   4.468   8.058
  402    HA   ALA  53           HA       ALA  53 -15.887   2.737   9.944
  403   1HB   ALA  53          1HB       ALA  53 -13.783   2.715  11.113
  404   2HB   ALA  53          2HB       ALA  53 -13.431   2.782   9.374
  405   3HB   ALA  53          3HB       ALA  53 -13.287   4.247  10.387
  406    H    THR  54           H        THR  54 -15.405   6.241  10.068
  407    HA   THR  54           HA       THR  54 -16.249   6.497  12.846
  408    HB   THR  54           HB       THR  54 -15.962   8.631  10.687
  409    HG1  THR  54           HG1      THR  54 -14.003   7.553  10.895
  410   1HG2  THR  54          1HG2      THR  54 -15.524  10.141  12.586
  411   2HG2  THR  54          2HG2      THR  54 -15.841   8.815  13.725
  412   3HG2  THR  54          3HG2      THR  54 -17.147   9.441  12.693
  413    H    ASN  55           H        ASN  55 -17.769   7.016   9.631
  414    HA   ASN  55           HA       ASN  55 -20.211   8.118  10.814
  415   1HB   ASN  55          1HB       ASN  55 -19.405   7.437   7.953
  416   2HB   ASN  55          2HB       ASN  55 -21.028   7.970   8.389
  417   1HD2  ASN  55          1HD2      ASN  55 -17.568   8.988   8.699
  418   2HD2  ASN  55          2HD2      ASN  55 -17.973  10.702   8.684
  419    H    GLN  56           H        GLN  56 -19.296   5.110   9.277
  420    HA   GLN  56           HA       GLN  56 -19.940   3.128  10.393
  421   1HB   GLN  56          1HB       GLN  56 -22.083   3.817  11.239
  422   2HB   GLN  56          2HB       GLN  56 -22.696   4.036   9.581
  423   1HG   GLN  56          1HG       GLN  56 -23.608   2.011  10.550
  424   2HG   GLN  56          2HG       GLN  56 -22.561   1.590   9.207
  425   1HE2  GLN  56          1HE2      GLN  56 -20.220   0.972   9.845
  426   2HE2  GLN  56          2HE2      GLN  56 -20.066   0.022  11.344
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1  19.305   8.943 -12.322
    2   1HA   GLY   1          1HA       GLY   1  20.929  10.560 -11.862
    3   2HA   GLY   1          2HA       GLY   1  19.720  11.844 -12.145
    4    H    SER   2           H        SER   2  18.450  12.523 -10.397
    5    HA   SER   2           HA       SER   2  17.923  10.947  -8.065
    6   1HB   SER   2          1HB       SER   2  16.048  12.790  -9.609
    7   2HB   SER   2          2HB       SER   2  15.982  12.367  -7.887
    8    HG   SER   2           HG       SER   2  16.922  14.397  -8.131
    9    H    HIS   3           H        HIS   3  15.838   9.647  -7.829
   10    HA   HIS   3           HA       HIS   3  14.541   8.683 -10.230
   11   1HB   HIS   3          1HB       HIS   3  15.062   6.303  -9.648
   12   2HB   HIS   3          2HB       HIS   3  16.468   7.200 -10.206
   13    HD1  HIS   3           HD1      HIS   3  15.072   5.531  -6.999
   14    HD2  HIS   3           HD2      HIS   3  18.456   7.669  -8.423
   15    HE1  HIS   3           HE1      HIS   3  16.883   5.333  -5.238
   16    H    MET   4           H        MET   4  12.670   7.305  -9.593
   17    HA   MET   4           HA       MET   4  12.174   6.656  -6.896
   18   1HB   MET   4          1HB       MET   4  11.267   8.994  -6.913
   19   2HB   MET   4          2HB       MET   4  10.196   8.558  -8.252
   20   1HG   MET   4          1HG       MET   4   9.071   6.896  -6.862
   21   2HG   MET   4          2HG       MET   4  10.219   7.148  -5.548
   22   1HE   MET   4          1HE       MET   4  10.194   9.076  -3.870
   23   2HE   MET   4          2HE       MET   4  10.541  10.234  -5.175
   24   3HE   MET   4          3HE       MET   4   9.222  10.557  -4.033
   25    H    ALA   5           H        ALA   5  10.989   4.810  -7.014
   26    HA   ALA   5           HA       ALA   5   9.193   3.425  -8.204
   27   1HB   ALA   5          1HB       ALA   5   9.576   4.121 -10.488
   28   2HB   ALA   5          2HB       ALA   5  11.305   3.663 -10.372
   29   3HB   ALA   5          3HB       ALA   5  10.052   2.409 -10.304
   30    H    GLU   6           H        GLU   6   9.813   2.180  -6.297
   31    HA   GLU   6           HA       GLU   6  12.224   0.520  -6.688
   32   1HB   GLU   6          1HB       GLU   6  11.550   2.294  -4.284
   33   2HB   GLU   6          2HB       GLU   6  12.746   1.020  -4.257
   34   1HG   GLU   6          1HG       GLU   6  14.102   2.798  -4.759
   35   2HG   GLU   6          2HG       GLU   6  13.818   2.168  -6.340
   36    HA   PRO   7           HA       PRO   7   9.608  -2.730  -4.952
   37   1HB   PRO   7          1HB       PRO   7  11.374  -4.163  -3.422
   38   2HB   PRO   7          2HB       PRO   7  11.377  -4.186  -5.211
   39   1HG   PRO   7          1HG       PRO   7  13.108  -2.514  -3.362
   40   2HG   PRO   7          2HG       PRO   7  13.629  -3.523  -4.755
   41   1HD   PRO   7          1HD       PRO   7  13.273  -0.868  -5.001
   42   2HD   PRO   7          2HD       PRO   7  12.770  -1.960  -6.315
   43    H    GLN   8           H        GLN   8   9.181  -3.736  -2.657
   44    HA   GLN   8           HA       GLN   8   7.989  -3.407  -0.888
   45   1HB   GLN   8          1HB       GLN   8  10.526  -2.087  -0.286
   46   2HB   GLN   8          2HB       GLN   8   9.158  -1.684   0.768
   47   1HG   GLN   8          1HG       GLN   8  10.347  -3.595   1.675
   48   2HG   GLN   8          2HG       GLN   8   8.738  -4.093   1.168
   49   1HE2  GLN   8          1HE2      GLN   8   8.552  -5.455  -0.931
   50   2HE2  GLN   8          2HE2      GLN   8  10.002  -6.368  -1.315
   51    H    ARG   9           H        ARG   9   8.855   0.024  -1.057
   52    HA   ARG   9           HA       ARG   9   6.288   0.916  -0.455
   53   1HB   ARG   9          1HB       ARG   9   8.547   2.286  -1.918
   54   2HB   ARG   9          2HB       ARG   9   7.015   3.084  -1.686
   55   1HG   ARG   9          1HG       ARG   9   8.484   1.978   0.558
   56   2HG   ARG   9          2HG       ARG   9   8.703   3.621  -0.001
   57   1HD   ARG   9          1HD       ARG   9   6.475   4.262   0.577
   58   2HD   ARG   9          2HD       ARG   9   5.970   2.585   0.819
   59    HE   ARG   9           HE       ARG   9   7.111   2.439   2.857
   60   1HH1  ARG   9          1HH1      ARG   9   7.564   5.738   1.646
   61   2HH1  ARG   9          2HH1      ARG   9   8.329   6.265   3.113
   62   1HH2  ARG   9          1HH2      ARG   9   8.092   2.978   4.513
   63   2HH2  ARG   9          2HH2      ARG   9   8.614   4.616   4.926
   64    H    HIS  10           H        HIS  10   4.589   0.268  -1.370
   65    HA   HIS  10           HA       HIS  10   4.193   0.785  -4.325
   66   1HB   HIS  10          1HB       HIS  10   2.992  -1.532  -2.774
   67   2HB   HIS  10          2HB       HIS  10   2.682  -1.140  -4.460
   68    HD1  HIS  10           HD1      HIS  10   3.950  -3.915  -3.327
   69    HD2  HIS  10           HD2      HIS  10   5.987  -0.730  -5.175
   70    HE1  HIS  10           HE1      HIS  10   6.143  -4.864  -4.225
   71    H    LYS  11           H        LYS  11   2.304   1.888  -4.838
   72    HA   LYS  11           HA       LYS  11   0.621   2.753  -2.530
   73   1HB   LYS  11          1HB       LYS  11   1.414   4.455  -4.916
   74   2HB   LYS  11          2HB       LYS  11   0.477   4.931  -3.488
   75   1HG   LYS  11          1HG       LYS  11   2.624   4.184  -2.158
   76   2HG   LYS  11          2HG       LYS  11   3.445   4.325  -3.708
   77   1HD   LYS  11          1HD       LYS  11   1.897   6.528  -2.275
   78   2HD   LYS  11          2HD       LYS  11   3.655   6.371  -2.342
   79   1HE   LYS  11          1HE       LYS  11   3.617   6.706  -4.782
   80   2HE   LYS  11          2HE       LYS  11   1.844   6.749  -4.765
   81   1HZ   LYS  11          1HZ       LYS  11   3.608   8.688  -3.414
   82   2HZ   LYS  11          2HZ       LYS  11   1.964   8.700  -3.361
   83   3HZ   LYS  11          3HZ       LYS  11   2.747   8.962  -4.790
   84    H    ILE  12           H        ILE  12  -0.862   1.107  -2.892
   85    HA   ILE  12           HA       ILE  12  -1.992   0.810  -5.612
   86    HB   ILE  12           HB       ILE  12  -2.589  -0.711  -3.075
   87   1HG1  ILE  12          1HG1      ILE  12  -0.798  -1.738  -5.282
   88   2HG1  ILE  12          2HG1      ILE  12  -0.160  -0.903  -3.864
   89   1HG2  ILE  12          1HG2      ILE  12  -4.408  -0.839  -4.692
   90   2HG2  ILE  12          2HG2      ILE  12  -3.273  -1.302  -5.970
   91   3HG2  ILE  12          3HG2      ILE  12  -3.603  -2.386  -4.579
   92   1HD1  ILE  12          1HD1      ILE  12  -1.728  -3.487  -3.836
   93   2HD1  ILE  12          2HD1      ILE  12  -0.058  -3.197  -3.307
   94   3HD1  ILE  12          3HD1      ILE  12  -1.384  -2.517  -2.378
   95    H    LEU  13           H        LEU  13  -3.419   2.461  -5.992
   96    HA   LEU  13           HA       LEU  13  -5.085   3.613  -3.964
   97   1HB   LEU  13          1HB       LEU  13  -4.038   4.800  -5.904
   98   2HB   LEU  13          2HB       LEU  13  -5.264   4.100  -6.954
   99    HG   LEU  13           HG       LEU  13  -6.297   5.384  -4.428
  100   1HD1  LEU  13          1HD1      LEU  13  -6.002   7.658  -5.309
  101   2HD1  LEU  13          2HD1      LEU  13  -5.004   7.015  -6.634
  102   3HD1  LEU  13          3HD1      LEU  13  -4.450   6.872  -4.946
  103   1HD2  LEU  13          1HD2      LEU  13  -7.869   4.622  -6.197
  104   2HD2  LEU  13          2HD2      LEU  13  -7.106   5.740  -7.349
  105   3HD2  LEU  13          3HD2      LEU  13  -7.973   6.364  -5.927
  106    H    CYS  14           H        CYS  14  -6.283   1.973  -3.171
  107    HA   CYS  14           HA       CYS  14  -8.470   0.786  -4.753
  108   1HB   CYS  14          1HB       CYS  14  -7.164  -0.460  -2.905
  109   2HB   CYS  14          2HB       CYS  14  -7.933   0.635  -1.744
  110    HG   CYS  14           HG       CYS  14  -9.010  -1.830  -1.849
  111    H    VAL  15           H        VAL  15 -10.578   1.141  -2.943
  112    HA   VAL  15           HA       VAL  15 -10.675   3.949  -2.182
  113    HB   VAL  15           HB       VAL  15 -12.930   4.266  -3.214
  114   1HG1  VAL  15          1HG1      VAL  15 -10.742   3.839  -5.281
  115   2HG1  VAL  15          2HG1      VAL  15 -12.165   4.895  -5.404
  116   3HG1  VAL  15          3HG1      VAL  15 -10.905   5.259  -4.219
  117   1HG2  VAL  15          1HG2      VAL  15 -13.516   1.892  -3.634
  118   2HG2  VAL  15          2HG2      VAL  15 -13.641   2.882  -5.094
  119   3HG2  VAL  15          3HG2      VAL  15 -12.252   1.803  -4.884
  120    H    CYS  16           H        CYS  16 -12.586   4.441  -0.889
  121    HA   CYS  16           HA       CYS  16 -13.312   2.372   1.034
  122   1HB   CYS  16          1HB       CYS  16 -13.289   4.825   1.612
  123   2HB   CYS  16          2HB       CYS  16 -14.644   5.037   0.473
  124    H    CYS  17           H        CYS  17 -14.548   0.760   0.378
  125    HA   CYS  17           HA       CYS  17 -15.867   0.565  -2.038
  126   1HB   CYS  17          1HB       CYS  17 -15.071  -1.256  -0.452
  127   2HB   CYS  17          2HB       CYS  17 -16.603  -1.064   0.430
  128    HG   CYS  17           HG       CYS  17 -16.704  -3.189  -1.075
  129    H    LYS  18           H        LYS  18 -17.188   2.154   0.815
  130    HA   LYS  18           HA       LYS  18 -19.887   2.063  -0.393
  131   1HB   LYS  18          1HB       LYS  18 -20.705   2.614   1.789
  132   2HB   LYS  18          2HB       LYS  18 -19.828   1.075   1.744
  133   1HG   LYS  18          1HG       LYS  18 -18.031   1.944   3.028
  134   2HG   LYS  18          2HG       LYS  18 -18.534   3.621   2.755
  135   1HD   LYS  18          1HD       LYS  18 -19.087   2.845   5.052
  136   2HD   LYS  18          2HD       LYS  18 -20.517   3.334   4.141
  137   1HE   LYS  18          1HE       LYS  18 -21.031   0.972   3.649
  138   2HE   LYS  18          2HE       LYS  18 -19.578   0.452   4.519
  139   1HZ   LYS  18          1HZ       LYS  18 -20.544   1.310   6.538
  140   2HZ   LYS  18          2HZ       LYS  18 -21.656   0.321   5.833
  141   3HZ   LYS  18          3HZ       LYS  18 -21.826   1.955   5.772
  142    H    CYS  19           H        CYS  19 -17.279   4.448   0.171
  143    HA   CYS  19           HA       CYS  19 -19.248   6.467  -0.693
  144   1HB   CYS  19          1HB       CYS  19 -18.175   7.998   0.636
  145   2HB   CYS  19          2HB       CYS  19 -18.526   6.639   1.684
  146    H    ASP  20           H        ASP  20 -16.713   4.666  -1.890
  147    HA   ASP  20           HA       ASP  20 -15.207   4.846  -3.466
  148   1HB   ASP  20          1HB       ASP  20 -17.209   5.629  -4.728
  149   2HB   ASP  20          2HB       ASP  20 -16.683   7.289  -4.450
  150    H    GLY  21           H        GLY  21 -14.875   6.377  -0.891
  151   1HA   GLY  21          1HA       GLY  21 -13.286   8.713  -1.401
  152   2HA   GLY  21          2HA       GLY  21 -13.291   7.786   0.110
  153    H    ARG  22           H        ARG  22 -11.005   8.944  -1.171
  154    HA   ARG  22           HA       ARG  22  -9.539   7.202  -2.876
  155   1HB   ARG  22          1HB       ARG  22  -9.412   9.709  -2.657
  156   2HB   ARG  22          2HB       ARG  22  -8.650   9.533  -1.091
  157   1HG   ARG  22          1HG       ARG  22  -7.480   8.628  -3.752
  158   2HG   ARG  22          2HG       ARG  22  -7.151  10.149  -2.898
  159   1HD   ARG  22          1HD       ARG  22  -6.415   8.588  -0.926
  160   2HD   ARG  22          2HD       ARG  22  -6.274   7.354  -2.175
  161    HE   ARG  22           HE       ARG  22  -4.165   8.639  -1.564
  162   1HH1  ARG  22          1HH1      ARG  22  -5.964   9.844  -4.403
  163   2HH1  ARG  22          2HH1      ARG  22  -4.548  10.605  -5.054
  164   1HH2  ARG  22          1HH2      ARG  22  -2.516   9.495  -2.357
  165   2HH2  ARG  22          2HH2      ARG  22  -2.490  10.456  -3.839
  166    H    ILE  23           H        ILE  23  -8.760   5.140  -2.146
  167    HA   ILE  23           HA       ILE  23  -7.283   5.251   0.422
  168    HB   ILE  23           HB       ILE  23  -8.912   2.892  -0.642
  169   1HG1  ILE  23          1HG1      ILE  23 -10.328   4.676   0.450
  170   2HG1  ILE  23          2HG1      ILE  23 -10.436   3.044   1.101
  171   1HG2  ILE  23          1HG2      ILE  23  -8.259   1.803   1.528
  172   2HG2  ILE  23          2HG2      ILE  23  -6.932   2.059   0.418
  173   3HG2  ILE  23          3HG2      ILE  23  -7.119   3.135   1.810
  174   1HD1  ILE  23          1HD1      ILE  23  -9.106   3.649   3.043
  175   2HD1  ILE  23          2HD1      ILE  23  -8.818   5.280   2.367
  176   3HD1  ILE  23          3HD1      ILE  23 -10.455   4.759   2.834
  177    H    GLU  24           H        GLU  24  -5.587   5.813  -0.448
  178    HA   GLU  24           HA       GLU  24  -4.200   4.017  -2.306
  179   1HB   GLU  24          1HB       GLU  24  -2.415   5.303  -2.136
  180   2HB   GLU  24          2HB       GLU  24  -3.698   6.484  -2.193
  181   1HG   GLU  24          1HG       GLU  24  -3.510   6.606   0.337
  182   2HG   GLU  24          2HG       GLU  24  -2.089   5.535   0.199
  183    H    LEU  25           H        LEU  25  -3.649   2.120  -1.646
  184    HA   LEU  25           HA       LEU  25  -3.006   1.600   1.188
  185   1HB   LEU  25          1HB       LEU  25  -2.644  -0.299  -1.105
  186   2HB   LEU  25          2HB       LEU  25  -2.801  -0.661   0.593
  187    HG   LEU  25           HG       LEU  25  -5.074   0.417  -1.176
  188   1HD1  LEU  25          1HD1      LEU  25  -5.917  -1.929  -1.095
  189   2HD1  LEU  25          2HD1      LEU  25  -4.396  -2.435  -0.324
  190   3HD1  LEU  25          3HD1      LEU  25  -4.388  -1.780  -1.974
  191   1HD2  LEU  25          1HD2      LEU  25  -5.284   0.816   1.314
  192   2HD2  LEU  25          2HD2      LEU  25  -5.058  -0.916   1.588
  193   3HD2  LEU  25          3HD2      LEU  25  -6.494  -0.336   0.713
  194    H    THR  26           H        THR  26  -1.441   3.390   0.995
  195    HA   THR  26           HA       THR  26   1.035   2.803  -0.503
  196    HB   THR  26           HB       THR  26   0.436   4.984   1.506
  197    HG1  THR  26           HG1      THR  26   0.157   6.123  -0.377
  198   1HG2  THR  26          1HG2      THR  26   3.028   4.159   0.066
  199   2HG2  THR  26          2HG2      THR  26   2.794   4.301   1.807
  200   3HG2  THR  26          3HG2      THR  26   2.779   5.757   0.800
  201    H    VAL  27           H        VAL  27   1.659   0.876  -0.028
  202    HA   VAL  27           HA       VAL  27   2.182   0.138   2.809
  203    HB   VAL  27           HB       VAL  27   1.775  -2.200   2.136
  204   1HG1  VAL  27          1HG1      VAL  27  -0.663  -2.118   2.042
  205   2HG1  VAL  27          2HG1      VAL  27  -0.033  -0.908   3.175
  206   3HG1  VAL  27          3HG1      VAL  27  -0.613  -0.407   1.575
  207   1HG2  VAL  27          1HG2      VAL  27   0.670  -2.810   0.055
  208   2HG2  VAL  27          2HG2      VAL  27   0.720  -1.133  -0.520
  209   3HG2  VAL  27          3HG2      VAL  27   2.225  -2.050  -0.304
  210    H    GLU  28           H        GLU  28   3.849  -1.716   2.781
  211    HA   GLU  28           HA       GLU  28   5.786  -1.452   0.593
  212   1HB   GLU  28          1HB       GLU  28   6.285  -1.593   3.508
  213   2HB   GLU  28          2HB       GLU  28   7.505  -2.202   2.382
  214   1HG   GLU  28          1HG       GLU  28   7.695   0.012   1.397
  215   2HG   GLU  28          2HG       GLU  28   6.317   0.606   2.322
  216    H    SER  29           H        SER  29   5.784  -3.340  -0.519
  217    HA   SER  29           HA       SER  29   4.909  -5.875   0.793
  218   1HB   SER  29          1HB       SER  29   2.920  -4.750   0.002
  219   2HB   SER  29          2HB       SER  29   3.670  -4.385  -1.555
  220    HG   SER  29           HG       SER  29   3.561  -6.645  -2.060
  221    H    SER  30           H        SER  30   5.142  -7.681  -0.813
  222    HA   SER  30           HA       SER  30   7.296  -7.234  -2.856
  223   1HB   SER  30          1HB       SER  30   6.192  -9.772  -1.546
  224   2HB   SER  30          2HB       SER  30   7.288  -9.767  -2.937
  225    HG   SER  30           HG       SER  30   8.365  -9.932  -0.882
  226    H    ALA  31           H        ALA  31   6.696  -8.668  -4.902
  227    HA   ALA  31           HA       ALA  31   4.311  -7.562  -6.013
  228   1HB   ALA  31          1HB       ALA  31   6.120  -9.804  -7.026
  229   2HB   ALA  31          2HB       ALA  31   4.912  -8.923  -7.983
  230   3HB   ALA  31          3HB       ALA  31   6.325  -8.063  -7.342
  231    H    GLU  32           H        GLU  32   5.118 -10.894  -4.903
  232    HA   GLU  32           HA       GLU  32   2.679 -12.122  -5.698
  233   1HB   GLU  32          1HB       GLU  32   4.731 -12.769  -3.547
  234   2HB   GLU  32          2HB       GLU  32   3.450 -13.883  -4.047
  235   1HG   GLU  32          1HG       GLU  32   4.362 -14.158  -6.232
  236   2HG   GLU  32          2HG       GLU  32   5.412 -12.748  -6.085
  237    H    ASP  33           H        ASP  33   3.742 -10.611  -2.685
  238    HA   ASP  33           HA       ASP  33   1.419 -11.067  -1.082
  239   1HB   ASP  33          1HB       ASP  33   3.618 -10.506  -0.179
  240   2HB   ASP  33          2HB       ASP  33   3.609  -8.957  -1.017
  241    H    LEU  34           H        LEU  34   2.496  -8.301  -3.134
  242    HA   LEU  34           HA       LEU  34   0.214  -6.677  -2.834
  243   1HB   LEU  34          1HB       LEU  34   2.189  -5.823  -3.841
  244   2HB   LEU  34          2HB       LEU  34   2.126  -6.954  -5.180
  245    HG   LEU  34           HG       LEU  34  -0.267  -5.129  -4.795
  246   1HD1  LEU  34          1HD1      LEU  34   0.921  -3.311  -6.025
  247   2HD1  LEU  34          2HD1      LEU  34   2.420  -4.262  -6.027
  248   3HD1  LEU  34          3HD1      LEU  34   1.758  -3.649  -4.506
  249   1HD2  LEU  34          1HD2      LEU  34  -0.368  -6.680  -6.682
  250   2HD2  LEU  34          2HD2      LEU  34   1.227  -6.157  -7.256
  251   3HD2  LEU  34          3HD2      LEU  34  -0.157  -5.045  -7.292
  252    H    ARG  35           H        ARG  35   0.871  -9.284  -5.203
  253    HA   ARG  35           HA       ARG  35  -1.586  -9.011  -6.617
  254   1HB   ARG  35          1HB       ARG  35   0.411 -10.376  -7.356
  255   2HB   ARG  35          2HB       ARG  35  -0.025 -11.609  -6.176
  256   1HG   ARG  35          1HG       ARG  35  -2.187 -11.977  -7.239
  257   2HG   ARG  35          2HG       ARG  35  -1.918 -10.620  -8.352
  258   1HD   ARG  35          1HD       ARG  35  -0.035 -11.823  -9.377
  259   2HD   ARG  35          2HD       ARG  35  -0.274 -13.180  -8.250
  260    HE   ARG  35           HE       ARG  35  -2.743 -12.849  -9.384
  261   1HH1  ARG  35          1HH1      ARG  35   0.461 -13.425 -10.737
  262   2HH1  ARG  35          2HH1      ARG  35  -0.098 -14.241 -12.157
  263   1HH2  ARG  35          1HH2      ARG  35  -3.531 -13.934 -11.258
  264   2HH2  ARG  35          2HH2      ARG  35  -2.436 -14.535 -12.447
  265    H    THR  36           H        THR  36  -0.665 -11.135  -3.924
  266    HA   THR  36           HA       THR  36  -3.138 -12.437  -3.590
  267    HB   THR  36           HB       THR  36  -1.080 -11.751  -1.436
  268    HG1  THR  36           HG1      THR  36  -0.036 -12.799  -3.063
  269   1HG2  THR  36          1HG2      THR  36  -3.178 -13.962  -1.611
  270   2HG2  THR  36          2HG2      THR  36  -3.159 -12.612  -0.454
  271   3HG2  THR  36          3HG2      THR  36  -1.900 -13.850  -0.377
  272    H    LEU  37           H        LEU  37  -1.933  -9.482  -1.853
  273    HA   LEU  37           HA       LEU  37  -4.378  -9.187  -0.436
  274   1HB   LEU  37          1HB       LEU  37  -3.628  -7.149   0.401
  275   2HB   LEU  37          2HB       LEU  37  -2.324  -8.314   0.383
  276    HG   LEU  37           HG       LEU  37  -1.676  -7.106  -1.883
  277   1HD1  LEU  37          1HD1      LEU  37  -2.092  -4.699  -1.826
  278   2HD1  LEU  37          2HD1      LEU  37  -3.114  -4.871  -0.396
  279   3HD1  LEU  37          3HD1      LEU  37  -3.625  -5.554  -1.957
  280   1HD2  LEU  37          1HD2      LEU  37  -0.178  -5.604  -0.609
  281   2HD2  LEU  37          2HD2      LEU  37  -0.241  -7.217   0.104
  282   3HD2  LEU  37          3HD2      LEU  37  -1.145  -5.889   0.857
  283    H    GLN  38           H        GLN  38  -3.353  -8.157  -3.682
  284    HA   GLN  38           HA       GLN  38  -5.556  -6.437  -4.150
  285   1HB   GLN  38          1HB       GLN  38  -3.437  -6.773  -5.638
  286   2HB   GLN  38          2HB       GLN  38  -4.326  -8.123  -6.347
  287   1HG   GLN  38          1HG       GLN  38  -4.831  -6.348  -7.763
  288   2HG   GLN  38          2HG       GLN  38  -6.243  -6.379  -6.705
  289   1HE2  GLN  38          1HE2      GLN  38  -3.087  -4.747  -7.314
  290   2HE2  GLN  38          2HE2      GLN  38  -3.549  -3.269  -6.478
  291    H    GLN  39           H        GLN  39  -5.086 -10.007  -4.532
  292    HA   GLN  39           HA       GLN  39  -7.503 -10.589  -5.852
  293   1HB   GLN  39          1HB       GLN  39  -6.198 -12.464  -3.872
  294   2HB   GLN  39          2HB       GLN  39  -7.330 -12.838  -5.154
  295   1HG   GLN  39          1HG       GLN  39  -4.433 -12.165  -5.356
  296   2HG   GLN  39          2HG       GLN  39  -5.285 -13.576  -5.932
  297   1HE2  GLN  39          1HE2      GLN  39  -4.261 -10.353  -6.662
  298   2HE2  GLN  39          2HE2      GLN  39  -4.855 -10.313  -8.333
  299    H    LEU  40           H        LEU  40  -6.741 -10.513  -2.295
  300    HA   LEU  40           HA       LEU  40  -9.458 -11.213  -1.624
  301   1HB   LEU  40          1HB       LEU  40  -8.950 -10.167   0.618
  302   2HB   LEU  40          2HB       LEU  40  -8.161 -11.640   0.091
  303    HG   LEU  40           HG       LEU  40  -6.240  -9.930  -0.559
  304   1HD1  LEU  40          1HD1      LEU  40  -7.499  -7.895   0.290
  305   2HD1  LEU  40          2HD1      LEU  40  -5.997  -8.170   1.158
  306   3HD1  LEU  40          3HD1      LEU  40  -7.540  -8.635   1.895
  307   1HD2  LEU  40          1HD2      LEU  40  -6.757 -11.025   2.220
  308   2HD2  LEU  40          2HD2      LEU  40  -5.183 -10.466   1.610
  309   3HD2  LEU  40          3HD2      LEU  40  -5.964 -11.868   0.868
  310    H    PHE  41           H        PHE  41  -7.889  -8.051  -1.816
  311    HA   PHE  41           HA       PHE  41 -10.323  -6.607  -1.213
  312   1HB   PHE  41          1HB       PHE  41  -7.865  -5.652  -2.706
  313   2HB   PHE  41          2HB       PHE  41  -9.212  -4.611  -2.274
  314    HD1  PHE  41           HD1      PHE  41  -9.940  -5.158   0.468
  315    HD2  PHE  41           HD2      PHE  41  -6.012  -5.078  -1.326
  316    HE1  PHE  41           HE1      PHE  41  -8.927  -4.807   2.683
  317    HE2  PHE  41           HE2      PHE  41  -5.016  -4.738   0.904
  318    HZ   PHE  41           HZ       PHE  41  -6.452  -4.622   2.908
  319    H    LEU  42           H        LEU  42  -9.159  -7.912  -4.253
  320    HA   LEU  42           HA       LEU  42 -11.190  -6.766  -5.943
  321   1HB   LEU  42          1HB       LEU  42  -9.026  -7.576  -6.760
  322   2HB   LEU  42          2HB       LEU  42  -9.350  -9.183  -6.119
  323    HG   LEU  42           HG       LEU  42 -11.179  -9.481  -7.779
  324   1HD1  LEU  42          1HD1      LEU  42 -11.261  -7.903  -9.700
  325   2HD1  LEU  42          2HD1      LEU  42 -10.122  -6.822  -8.864
  326   3HD1  LEU  42          3HD1      LEU  42 -11.744  -7.117  -8.197
  327   1HD2  LEU  42          1HD2      LEU  42  -8.903 -10.336  -8.163
  328   2HD2  LEU  42          2HD2      LEU  42  -8.423  -8.783  -8.884
  329   3HD2  LEU  42          3HD2      LEU  42  -9.642  -9.803  -9.678
  330    H    SER  43           H        SER  43 -10.946  -9.700  -3.920
  331    HA   SER  43           HA       SER  43 -13.134 -11.076  -5.142
  332   1HB   SER  43          1HB       SER  43 -11.381 -12.308  -4.032
  333   2HB   SER  43          2HB       SER  43 -11.585 -11.397  -2.541
  334    HG   SER  43           HG       SER  43 -13.348 -13.310  -3.642
  335    H    THR  44           H        THR  44 -12.814  -9.699  -1.884
  336    HA   THR  44           HA       THR  44 -15.661  -9.300  -1.567
  337    HB   THR  44           HB       THR  44 -15.443 -10.992   0.481
  338    HG1  THR  44           HG1      THR  44 -13.620 -12.207  -1.349
  339   1HG2  THR  44          1HG2      THR  44 -16.299 -12.847  -0.799
  340   2HG2  THR  44          2HG2      THR  44 -15.743 -12.127  -2.320
  341   3HG2  THR  44          3HG2      THR  44 -17.021 -11.331  -1.375
  342    H    LEU  45           H        LEU  45 -12.413  -9.352  -0.161
  343    HA   LEU  45           HA       LEU  45 -13.110  -7.913   2.245
  344   1HB   LEU  45          1HB       LEU  45 -10.801  -9.155   1.086
  345   2HB   LEU  45          2HB       LEU  45 -10.366  -7.479   1.296
  346    HG   LEU  45           HG       LEU  45  -9.666  -8.842   3.166
  347   1HD1  LEU  45          1HD1      LEU  45 -10.336  -6.491   3.607
  348   2HD1  LEU  45          2HD1      LEU  45 -10.499  -7.552   5.012
  349   3HD1  LEU  45          3HD1      LEU  45 -11.945  -7.064   4.108
  350   1HD2  LEU  45          1HD2      LEU  45 -11.199  -9.978   4.679
  351   2HD2  LEU  45          2HD2      LEU  45 -11.377 -10.616   3.037
  352   3HD2  LEU  45          3HD2      LEU  45 -12.594  -9.504   3.696
  353    H    SER  46           H        SER  46 -12.666  -5.550   2.648
  354    HA   SER  46           HA       SER  46 -11.900  -3.943   0.392
  355   1HB   SER  46          1HB       SER  46 -13.762  -2.358   0.944
  356   2HB   SER  46          2HB       SER  46 -14.233  -3.859   0.109
  357    HG   SER  46           HG       SER  46 -14.959  -4.667   2.061
  358    H    PHE  47           H        PHE  47 -11.508  -1.696   1.287
  359    HA   PHE  47           HA       PHE  47 -10.020  -2.083   3.816
  360   1HB   PHE  47          1HB       PHE  47  -9.173  -0.959   1.532
  361   2HB   PHE  47          2HB       PHE  47  -9.837   0.483   2.282
  362    HD1  PHE  47           HD1      PHE  47  -7.405  -2.310   2.653
  363    HD2  PHE  47           HD2      PHE  47  -8.728   1.474   4.207
  364    HE1  PHE  47           HE1      PHE  47  -5.373  -2.189   4.086
  365    HE2  PHE  47           HE2      PHE  47  -6.669   1.622   5.612
  366    HZ   PHE  47           HZ       PHE  47  -4.995  -0.216   5.548
  367    H    VAL  48           H        VAL  48 -12.157   0.382   2.433
  368    HA   VAL  48           HA       VAL  48 -13.647   1.836   3.212
  369    HB   VAL  48           HB       VAL  48 -13.706   0.183   5.753
  370   1HG1  VAL  48          1HG1      VAL  48 -15.928   1.116   6.124
  371   2HG1  VAL  48          2HG1      VAL  48 -14.722   2.395   6.107
  372   3HG1  VAL  48          3HG1      VAL  48 -15.768   2.144   4.686
  373   1HG2  VAL  48          1HG2      VAL  48 -14.312  -1.195   3.800
  374   2HG2  VAL  48          2HG2      VAL  48 -15.747  -0.830   4.746
  375   3HG2  VAL  48          3HG2      VAL  48 -15.440   0.061   3.239
  376    H    CYS  49           H        CYS  49 -13.462   3.953   3.980
  377    HA   CYS  49           HA       CYS  49 -10.906   4.660   5.205
  378   1HB   CYS  49          1HB       CYS  49 -11.870   6.974   5.187
  379   2HB   CYS  49          2HB       CYS  49 -11.772   6.219   3.613
  380    HA   PRO  50           HA       PRO  50 -12.216   4.146   9.368
  381   1HB   PRO  50          1HB       PRO  50 -10.976   6.209  10.743
  382   2HB   PRO  50          2HB       PRO  50 -10.172   4.718  10.164
  383   1HG   PRO  50          1HG       PRO  50 -10.255   7.442   8.829
  384   2HG   PRO  50          2HG       PRO  50  -8.843   6.360   9.048
  385   1HD   PRO  50          1HD       PRO  50 -10.196   6.465   6.703
  386   2HD   PRO  50          2HD       PRO  50  -9.585   4.906   7.329
  387    H    TRP  51           H        TRP  51 -12.744   7.317   7.929
  388    HA   TRP  51           HA       TRP  51 -14.686   8.241   9.812
  389   1HB   TRP  51          1HB       TRP  51 -13.395   9.596   8.093
  390   2HB   TRP  51          2HB       TRP  51 -14.510   8.973   6.873
  391    HD1  TRP  51           HD1      TRP  51 -16.527  10.531   6.507
  392    HE1  TRP  51           HE1      TRP  51 -17.825  12.262   7.865
  393    HE3  TRP  51           HE3      TRP  51 -13.980  10.165  10.931
  394    HZ2  TRP  51           HZ2      TRP  51 -17.759  13.383  10.543
  395    HZ3  TRP  51           HZ3      TRP  51 -14.638  11.553  12.877
  396    HH2  TRP  51           HH2      TRP  51 -16.517  13.165  12.691
  397    H    CYS  52           H        CYS  52 -14.875   6.141   6.917
  398    HA   CYS  52           HA       CYS  52 -17.793   5.870   7.145
  399   1HB   CYS  52          1HB       CYS  52 -15.687   4.582   5.395
  400   2HB   CYS  52          2HB       CYS  52 -17.275   3.882   5.587
  401    H    ALA  53           H        ALA  53 -14.869   4.130   8.339
  402    HA   ALA  53           HA       ALA  53 -16.349   1.911   9.372
  403   1HB   ALA  53          1HB       ALA  53 -13.857   2.028   9.339
  404   2HB   ALA  53          2HB       ALA  53 -13.919   3.189  10.692
  405   3HB   ALA  53          3HB       ALA  53 -14.525   1.541  10.908
  406    H    THR  54           H        THR  54 -15.881   5.185  10.624
  407    HA   THR  54           HA       THR  54 -17.415   4.752  13.040
  408    HB   THR  54           HB       THR  54 -16.618   7.325  11.605
  409    HG1  THR  54           HG1      THR  54 -14.763   6.292  12.120
  410   1HG2  THR  54          1HG2      THR  54 -16.857   8.430  13.777
  411   2HG2  THR  54          2HG2      THR  54 -17.471   6.931  14.509
  412   3HG2  THR  54          3HG2      THR  54 -18.395   7.756  13.238
  413    H    ASN  55           H        ASN  55 -18.228   6.653  10.051
  414    HA   ASN  55           HA       ASN  55 -20.931   7.044  11.074
  415   1HB   ASN  55          1HB       ASN  55 -19.641   7.909   8.447
  416   2HB   ASN  55          2HB       ASN  55 -21.234   8.397   9.018
  417   1HD2  ASN  55          1HD2      ASN  55 -17.730   8.666   9.698
  418   2HD2  ASN  55          2HD2      ASN  55 -17.912  10.069  10.745
  419    H    GLN  56           H        GLN  56 -19.463   4.832   8.869
  420    HA   GLN  56           HA       GLN  56 -20.109   3.325   7.405
  421   1HB   GLN  56          1HB       GLN  56 -22.084   3.034   9.668
  422   2HB   GLN  56          2HB       GLN  56 -21.882   1.802   8.404
  423   1HG   GLN  56          1HG       GLN  56 -19.533   1.504   8.969
  424   2HG   GLN  56          2HG       GLN  56 -19.596   2.849  10.111
  425   1HE2  GLN  56          1HE2      GLN  56 -18.905   1.743  11.893
  426   2HE2  GLN  56          2HE2      GLN  56 -19.915   0.507  12.666
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1  14.747   4.597   7.133
    2   1HA   GLY   1          1HA       GLY   1  13.335   4.014   5.296
    3   2HA   GLY   1          2HA       GLY   1  12.403   4.238   6.782
    4    H    SER   2           H        SER   2  11.056   4.377   4.585
    5    HA   SER   2           HA       SER   2   9.800   5.468   3.111
    6   1HB   SER   2          1HB       SER   2   8.833   6.134   5.378
    7   2HB   SER   2          2HB       SER   2   9.505   7.745   5.070
    8    HG   SER   2           HG       SER   2   7.313   7.426   4.372
    9    H    HIS   3           H        HIS   3  12.314   5.681   2.355
   10    HA   HIS   3           HA       HIS   3  12.187   8.206   0.809
   11   1HB   HIS   3          1HB       HIS   3  13.915   8.651   2.453
   12   2HB   HIS   3          2HB       HIS   3  14.722   7.125   2.104
   13    HD1  HIS   3           HD1      HIS   3  16.601   7.303   0.265
   14    HD2  HIS   3           HD2      HIS   3  13.749  10.409   0.179
   15    HE1  HIS   3           HE1      HIS   3  17.346   8.942  -1.545
   16    H    MET   4           H        MET   4  14.446   5.432   0.904
   17    HA   MET   4           HA       MET   4  13.277   4.061  -1.326
   18   1HB   MET   4          1HB       MET   4  14.970   5.923  -2.183
   19   2HB   MET   4          2HB       MET   4  16.209   4.855  -1.519
   20   1HG   MET   4          1HG       MET   4  15.158   3.010  -2.987
   21   2HG   MET   4          2HG       MET   4  14.204   4.283  -3.736
   22   1HE   MET   4          1HE       MET   4  16.321   6.739  -3.951
   23   2HE   MET   4          2HE       MET   4  16.958   6.405  -5.574
   24   3HE   MET   4          3HE       MET   4  15.222   6.206  -5.248
   25    H    ALA   5           H        ALA   5  14.994   2.028  -1.549
   26    HA   ALA   5           HA       ALA   5  15.628   0.112  -0.595
   27   1HB   ALA   5          1HB       ALA   5  17.669   1.367  -0.083
   28   2HB   ALA   5          2HB       ALA   5  16.983   1.857   1.485
   29   3HB   ALA   5          3HB       ALA   5  17.307   0.146   1.159
   30    H    GLU   6           H        GLU   6  13.271  -0.131  -0.306
   31    HA   GLU   6           HA       GLU   6  12.505  -0.603   2.486
   32   1HB   GLU   6          1HB       GLU   6  11.032   1.056   0.387
   33   2HB   GLU   6          2HB       GLU   6  10.194   0.360   1.763
   34   1HG   GLU   6          1HG       GLU   6  12.528   2.317   1.982
   35   2HG   GLU   6          2HG       GLU   6  10.844   2.769   2.019
   36    HA   PRO   7           HA       PRO   7  11.153  -4.308   0.461
   37   1HB   PRO   7          1HB       PRO   7   9.235  -5.323   2.099
   38   2HB   PRO   7          2HB       PRO   7  10.940  -5.145   2.598
   39   1HG   PRO   7          1HG       PRO   7   8.629  -3.293   3.207
   40   2HG   PRO   7          2HG       PRO   7   9.871  -3.918   4.328
   41   1HD   PRO   7          1HD       PRO   7  10.043  -1.444   3.146
   42   2HD   PRO   7          2HD       PRO   7  11.487  -2.410   3.552
   43    H    GLN   8           H        GLN   8  10.463  -2.786  -1.286
   44    HA   GLN   8           HA       GLN   8   9.126  -2.261  -2.973
   45   1HB   GLN   8          1HB       GLN   8   9.007  -4.682  -3.098
   46   2HB   GLN   8          2HB       GLN   8   7.537  -4.691  -2.115
   47   1HG   GLN   8          1HG       GLN   8   6.294  -3.558  -3.796
   48   2HG   GLN   8          2HG       GLN   8   7.758  -3.088  -4.686
   49   1HE2  GLN   8          1HE2      GLN   8   6.009  -3.945  -6.245
   50   2HE2  GLN   8          2HE2      GLN   8   6.252  -5.629  -6.755
   51    H    ARG   9           H        ARG   9   8.921  -0.489  -1.342
   52    HA   ARG   9           HA       ARG   9   6.492   0.484  -0.335
   53   1HB   ARG   9          1HB       ARG   9   8.783   1.484  -0.178
   54   2HB   ARG   9          2HB       ARG   9   8.631   2.005  -1.849
   55   1HG   ARG   9          1HG       ARG   9   7.539   3.819  -1.293
   56   2HG   ARG   9          2HG       ARG   9   6.327   2.918  -0.384
   57   1HD   ARG   9          1HD       ARG   9   7.536   3.079   1.640
   58   2HD   ARG   9          2HD       ARG   9   9.060   3.379   0.832
   59    HE   ARG   9           HE       ARG   9   7.132   5.299   1.694
   60   1HH1  ARG   9          1HH1      ARG   9   9.508   4.755  -0.832
   61   2HH1  ARG   9          2HH1      ARG   9  10.324   6.272  -0.722
   62   1HH2  ARG   9          1HH2      ARG   9   8.176   7.345   1.953
   63   2HH2  ARG   9          2HH2      ARG   9   9.271   7.935   0.761
   64    H    HIS  10           H        HIS  10   4.637   0.306  -1.262
   65    HA   HIS  10           HA       HIS  10   4.273   1.268  -4.081
   66   1HB   HIS  10          1HB       HIS  10   3.384  -1.244  -2.779
   67   2HB   HIS  10          2HB       HIS  10   2.258  -0.423  -3.863
   68    HD1  HIS  10           HD1      HIS  10   2.359  -1.434  -6.185
   69    HD2  HIS  10           HD2      HIS  10   6.093  -1.297  -4.234
   70    HE1  HIS  10           HE1      HIS  10   4.063  -2.437  -7.799
   71    H    LYS  11           H        LYS  11   2.007   1.948  -4.512
   72    HA   LYS  11           HA       LYS  11   0.524   2.930  -2.139
   73   1HB   LYS  11          1HB       LYS  11   1.109   4.490  -4.670
   74   2HB   LYS  11          2HB       LYS  11  -0.211   4.859  -3.570
   75   1HG   LYS  11          1HG       LYS  11   1.152   6.087  -2.298
   76   2HG   LYS  11          2HG       LYS  11   2.030   4.637  -1.871
   77   1HD   LYS  11          1HD       LYS  11   3.629   6.220  -2.659
   78   2HD   LYS  11          2HD       LYS  11   3.504   4.937  -3.860
   79   1HE   LYS  11          1HE       LYS  11   3.634   7.091  -4.975
   80   2HE   LYS  11          2HE       LYS  11   2.040   6.381  -5.262
   81   1HZ   LYS  11          1HZ       LYS  11   2.541   8.408  -3.172
   82   2HZ   LYS  11          2HZ       LYS  11   1.075   7.860  -3.686
   83   3HZ   LYS  11          3HZ       LYS  11   1.978   8.757  -4.687
   84    H    ILE  12           H        ILE  12  -0.823   1.156  -2.190
   85    HA   ILE  12           HA       ILE  12  -2.172   0.441  -4.729
   86    HB   ILE  12           HB       ILE  12  -2.725  -0.673  -1.957
   87   1HG1  ILE  12          1HG1      ILE  12  -0.966  -1.926  -4.095
   88   2HG1  ILE  12          2HG1      ILE  12  -0.397  -1.205  -2.569
   89   1HG2  ILE  12          1HG2      ILE  12  -3.477  -1.595  -4.775
   90   2HG2  ILE  12          2HG2      ILE  12  -3.952  -2.398  -3.255
   91   3HG2  ILE  12          3HG2      ILE  12  -4.576  -0.805  -3.633
   92   1HD1  ILE  12          1HD1      ILE  12  -1.828  -2.824  -1.332
   93   2HD1  ILE  12          2HD1      ILE  12  -2.101  -3.654  -2.890
   94   3HD1  ILE  12          3HD1      ILE  12  -0.464  -3.515  -2.224
   95    H    LEU  13           H        LEU  13  -3.295   2.327  -5.207
   96    HA   LEU  13           HA       LEU  13  -5.049   3.602  -3.335
   97   1HB   LEU  13          1HB       LEU  13  -4.051   4.626  -5.388
   98   2HB   LEU  13          2HB       LEU  13  -5.221   3.737  -6.363
   99    HG   LEU  13           HG       LEU  13  -6.208   5.389  -4.004
  100   1HD1  LEU  13          1HD1      LEU  13  -6.267   7.387  -5.484
  101   2HD1  LEU  13          2HD1      LEU  13  -5.298   6.490  -6.674
  102   3HD1  LEU  13          3HD1      LEU  13  -4.628   6.854  -5.065
  103   1HD2  LEU  13          1HD2      LEU  13  -7.896   4.094  -5.267
  104   2HD2  LEU  13          2HD2      LEU  13  -7.371   4.856  -6.781
  105   3HD2  LEU  13          3HD2      LEU  13  -8.142   5.822  -5.507
  106    H    CYS  14           H        CYS  14  -6.526   2.447  -2.352
  107    HA   CYS  14           HA       CYS  14  -8.361   0.763  -4.000
  108   1HB   CYS  14          1HB       CYS  14  -7.007  -0.256  -1.991
  109   2HB   CYS  14          2HB       CYS  14  -8.177   0.615  -0.979
  110    HG   CYS  14           HG       CYS  14  -8.641  -1.637  -3.378
  111    H    VAL  15           H        VAL  15 -10.667   0.822  -2.642
  112    HA   VAL  15           HA       VAL  15 -11.269   3.652  -2.101
  113    HB   VAL  15           HB       VAL  15 -13.293   3.537  -3.494
  114   1HG1  VAL  15          1HG1      VAL  15 -11.245   4.684  -4.258
  115   2HG1  VAL  15          2HG1      VAL  15 -10.716   3.196  -5.080
  116   3HG1  VAL  15          3HG1      VAL  15 -12.201   4.027  -5.593
  117   1HG2  VAL  15          1HG2      VAL  15 -12.042   1.040  -4.740
  118   2HG2  VAL  15          2HG2      VAL  15 -13.498   1.059  -3.717
  119   3HG2  VAL  15          3HG2      VAL  15 -13.506   1.886  -5.278
  120    H    CYS  16           H        CYS  16 -13.081   4.039  -0.956
  121    HA   CYS  16           HA       CYS  16 -13.732   2.140   1.077
  122   1HB   CYS  16          1HB       CYS  16 -13.636   4.641   1.373
  123   2HB   CYS  16          2HB       CYS  16 -15.072   4.765   0.344
  124    H    CYS  17           H        CYS  17 -15.036   0.485   0.769
  125    HA   CYS  17           HA       CYS  17 -16.724   0.004  -1.384
  126   1HB   CYS  17          1HB       CYS  17 -15.692  -1.627   0.299
  127   2HB   CYS  17          2HB       CYS  17 -17.047  -1.241   1.375
  128    HG   CYS  17           HG       CYS  17 -18.818  -1.666  -0.683
  129    H    LYS  18           H        LYS  18 -17.553   2.081   1.328
  130    HA   LYS  18           HA       LYS  18 -20.400   1.890   0.562
  131   1HB   LYS  18          1HB       LYS  18 -20.884   2.698   2.779
  132   2HB   LYS  18          2HB       LYS  18 -20.150   1.100   2.757
  133   1HG   LYS  18          1HG       LYS  18 -18.091   1.933   3.672
  134   2HG   LYS  18          2HG       LYS  18 -18.545   3.604   3.368
  135   1HD   LYS  18          1HD       LYS  18 -18.905   3.326   5.687
  136   2HD   LYS  18          2HD       LYS  18 -20.512   3.268   4.989
  137   1HE   LYS  18          1HE       LYS  18 -20.443   0.776   5.090
  138   2HE   LYS  18          2HE       LYS  18 -18.807   0.843   5.742
  139   1HZ   LYS  18          1HZ       LYS  18 -20.625   0.591   7.430
  140   2HZ   LYS  18          2HZ       LYS  18 -21.101   2.140   7.143
  141   3HZ   LYS  18          3HZ       LYS  18 -19.612   1.857   7.707
  142    H    CYS  19           H        CYS  19 -17.697   4.216   0.434
  143    HA   CYS  19           HA       CYS  19 -19.711   6.131  -0.516
  144   1HB   CYS  19          1HB       CYS  19 -18.540   7.814   0.523
  145   2HB   CYS  19          2HB       CYS  19 -18.853   6.630   1.773
  146    H    ASP  20           H        ASP  20 -17.232   4.182  -1.611
  147    HA   ASP  20           HA       ASP  20 -15.728   4.148  -3.167
  148   1HB   ASP  20          1HB       ASP  20 -17.738   4.688  -4.529
  149   2HB   ASP  20          2HB       ASP  20 -17.228   6.377  -4.542
  150    H    GLY  21           H        GLY  21 -15.344   6.015  -0.880
  151   1HA   GLY  21          1HA       GLY  21 -13.804   8.270  -1.847
  152   2HA   GLY  21          2HA       GLY  21 -13.818   7.710  -0.177
  153    H    ARG  22           H        ARG  22 -11.691   8.517  -1.946
  154    HA   ARG  22           HA       ARG  22 -10.077   6.300  -2.858
  155   1HB   ARG  22          1HB       ARG  22  -9.992   8.415  -3.961
  156   2HB   ARG  22          2HB       ARG  22  -9.659   9.300  -2.485
  157   1HG   ARG  22          1HG       ARG  22  -7.656   7.288  -3.550
  158   2HG   ARG  22          2HG       ARG  22  -7.804   8.903  -4.251
  159   1HD   ARG  22          1HD       ARG  22  -7.564   9.725  -1.749
  160   2HD   ARG  22          2HD       ARG  22  -6.860   8.138  -1.494
  161    HE   ARG  22           HE       ARG  22  -5.049   8.665  -2.952
  162   1HH1  ARG  22          1HH1      ARG  22  -7.171  11.471  -2.553
  163   2HH1  ARG  22          2HH1      ARG  22  -5.960  12.611  -3.042
  164   1HH2  ARG  22          1HH2      ARG  22  -3.482  10.085  -3.553
  165   2HH2  ARG  22          2HH2      ARG  22  -3.791  11.800  -3.661
  166    H    ILE  23           H        ILE  23  -8.856   4.945  -1.573
  167    HA   ILE  23           HA       ILE  23  -7.471   6.253   0.698
  168    HB   ILE  23           HB       ILE  23  -8.094   3.281   0.636
  169   1HG1  ILE  23          1HG1      ILE  23  -9.441   4.169   2.840
  170   2HG1  ILE  23          2HG1      ILE  23  -9.739   5.532   1.760
  171   1HG2  ILE  23          1HG2      ILE  23  -7.060   5.166   2.817
  172   2HG2  ILE  23          2HG2      ILE  23  -7.234   3.398   2.937
  173   3HG2  ILE  23          3HG2      ILE  23  -6.040   4.101   1.840
  174   1HD1  ILE  23          1HD1      ILE  23 -11.515   3.848   1.557
  175   2HD1  ILE  23          2HD1      ILE  23 -10.570   3.866   0.051
  176   3HD1  ILE  23          3HD1      ILE  23 -10.321   2.579   1.242
  177    H    GLU  24           H        GLU  24  -5.492   6.681  -0.100
  178    HA   GLU  24           HA       GLU  24  -4.235   4.915  -2.076
  179   1HB   GLU  24          1HB       GLU  24  -4.214   7.372  -2.222
  180   2HB   GLU  24          2HB       GLU  24  -3.160   7.451  -0.803
  181   1HG   GLU  24          1HG       GLU  24  -1.456   6.130  -1.992
  182   2HG   GLU  24          2HG       GLU  24  -2.555   5.883  -3.361
  183    H    LEU  25           H        LEU  25  -3.931   2.961  -0.961
  184    HA   LEU  25           HA       LEU  25  -2.863   2.877   1.693
  185   1HB   LEU  25          1HB       LEU  25  -2.838   0.599  -0.290
  186   2HB   LEU  25          2HB       LEU  25  -2.782   0.493   1.446
  187    HG   LEU  25           HG       LEU  25  -5.192   1.526  -0.123
  188   1HD1  LEU  25          1HD1      LEU  25  -4.798  -0.801  -0.723
  189   2HD1  LEU  25          2HD1      LEU  25  -6.202  -0.691   0.349
  190   3HD1  LEU  25          3HD1      LEU  25  -4.644  -1.261   0.988
  191   1HD2  LEU  25          1HD2      LEU  25  -4.974   2.210   2.323
  192   2HD2  LEU  25          2HD2      LEU  25  -4.934   0.498   2.754
  193   3HD2  LEU  25          3HD2      LEU  25  -6.387   1.186   1.993
  194    H    THR  26           H        THR  26  -0.984   4.174   1.546
  195    HA   THR  26           HA       THR  26   1.302   3.361  -0.084
  196    HB   THR  26           HB       THR  26   1.277   5.082   2.420
  197    HG1  THR  26           HG1      THR  26  -0.038   5.813   0.616
  198   1HG2  THR  26          1HG2      THR  26   3.382   5.985   1.480
  199   2HG2  THR  26          2HG2      THR  26   3.310   4.801   0.157
  200   3HG2  THR  26          3HG2      THR  26   3.527   4.254   1.832
  201    H    VAL  27           H        VAL  27   1.911   1.263   0.194
  202    HA   VAL  27           HA       VAL  27   2.494   0.321   2.928
  203    HB   VAL  27           HB       VAL  27   1.499  -1.888   2.425
  204   1HG1  VAL  27          1HG1      VAL  27  -0.552   0.358   2.395
  205   2HG1  VAL  27          2HG1      VAL  27  -0.806  -1.310   2.951
  206   3HG1  VAL  27          3HG1      VAL  27   0.306  -0.241   3.826
  207   1HG2  VAL  27          1HG2      VAL  27   0.065  -0.559   0.086
  208   2HG2  VAL  27          2HG2      VAL  27   1.335  -1.787  -0.049
  209   3HG2  VAL  27          3HG2      VAL  27  -0.206  -2.197   0.708
  210    H    GLU  28           H        GLU  28   4.309  -0.837   3.046
  211    HA   GLU  28           HA       GLU  28   5.908  -1.201   0.619
  212   1HB   GLU  28          1HB       GLU  28   6.627  -1.474   3.522
  213   2HB   GLU  28          2HB       GLU  28   7.722  -1.521   2.136
  214   1HG   GLU  28          1HG       GLU  28   7.908   0.627   3.110
  215   2HG   GLU  28          2HG       GLU  28   7.142   0.803   1.578
  216    H    SER  29           H        SER  29   4.969  -2.937  -0.414
  217    HA   SER  29           HA       SER  29   4.588  -5.450   1.114
  218   1HB   SER  29          1HB       SER  29   2.585  -5.731  -0.245
  219   2HB   SER  29          2HB       SER  29   2.463  -4.368   0.903
  220    HG   SER  29           HG       SER  29   3.346  -4.074  -1.769
  221    H    SER  30           H        SER  30   5.614  -6.972   0.239
  222    HA   SER  30           HA       SER  30   7.150  -6.933  -2.172
  223   1HB   SER  30          1HB       SER  30   6.099  -9.346  -0.630
  224   2HB   SER  30          2HB       SER  30   7.478  -9.323  -1.750
  225    HG   SER  30           HG       SER  30   8.118  -9.154   0.452
  226    H    ALA  31           H        ALA  31   6.681  -7.753  -4.243
  227    HA   ALA  31           HA       ALA  31   4.289  -7.435  -5.343
  228   1HB   ALA  31          1HB       ALA  31   6.289  -9.549  -6.257
  229   2HB   ALA  31          2HB       ALA  31   5.052  -8.771  -7.266
  230   3HB   ALA  31          3HB       ALA  31   6.389  -7.810  -6.604
  231    H    GLU  32           H        GLU  32   5.287 -10.602  -3.997
  232    HA   GLU  32           HA       GLU  32   3.000 -12.084  -4.834
  233   1HB   GLU  32          1HB       GLU  32   4.964 -12.422  -2.536
  234   2HB   GLU  32          2HB       GLU  32   3.746 -13.630  -2.985
  235   1HG   GLU  32          1HG       GLU  32   4.726 -13.835  -5.240
  236   2HG   GLU  32          2HG       GLU  32   5.928 -12.597  -4.861
  237    H    ASP  33           H        ASP  33   3.696 -10.252  -1.815
  238    HA   ASP  33           HA       ASP  33   1.271 -10.945  -0.447
  239   1HB   ASP  33          1HB       ASP  33   3.110 -10.065   0.841
  240   2HB   ASP  33          2HB       ASP  33   3.186  -8.600  -0.143
  241    H    LEU  34           H        LEU  34   2.332  -8.121  -2.354
  242    HA   LEU  34           HA       LEU  34  -0.084  -6.674  -2.363
  243   1HB   LEU  34          1HB       LEU  34   1.977  -5.725  -3.118
  244   2HB   LEU  34          2HB       LEU  34   2.081  -6.812  -4.493
  245    HG   LEU  34           HG       LEU  34  -0.423  -5.114  -4.283
  246   1HD1  LEU  34          1HD1      LEU  34   0.750  -3.189  -5.328
  247   2HD1  LEU  34          2HD1      LEU  34   2.309  -4.035  -5.148
  248   3HD1  LEU  34          3HD1      LEU  34   1.402  -3.520  -3.716
  249   1HD2  LEU  34          1HD2      LEU  34  -0.092  -4.936  -6.745
  250   2HD2  LEU  34          2HD2      LEU  34  -0.185  -6.617  -6.230
  251   3HD2  LEU  34          3HD2      LEU  34   1.391  -5.903  -6.617
  252    H    ARG  35           H        ARG  35   1.016  -9.147  -4.715
  253    HA   ARG  35           HA       ARG  35  -1.257  -9.124  -6.385
  254   1HB   ARG  35          1HB       ARG  35   0.933 -10.323  -6.773
  255   2HB   ARG  35          2HB       ARG  35   0.454 -11.551  -5.615
  256   1HG   ARG  35          1HG       ARG  35  -1.467 -12.186  -6.997
  257   2HG   ARG  35          2HG       ARG  35  -1.125 -10.858  -8.131
  258   1HD   ARG  35          1HD       ARG  35   1.047 -11.882  -8.683
  259   2HD   ARG  35          2HD       ARG  35   0.722 -13.212  -7.547
  260    HE   ARG  35           HE       ARG  35  -1.469 -13.189  -9.208
  261   1HH1  ARG  35          1HH1      ARG  35   2.003 -13.554  -9.720
  262   2HH1  ARG  35          2HH1      ARG  35   1.867 -14.498 -11.162
  263   1HH2  ARG  35          1HH2      ARG  35  -1.697 -14.456 -11.125
  264   2HH2  ARG  35          2HH2      ARG  35  -0.305 -15.026 -11.969
  265    H    THR  36           H        THR  36  -0.556 -11.023  -3.477
  266    HA   THR  36           HA       THR  36  -2.928 -12.578  -3.439
  267    HB   THR  36           HB       THR  36  -1.512 -11.457  -0.978
  268    HG1  THR  36           HG1      THR  36   0.071 -12.497  -2.348
  269   1HG2  THR  36          1HG2      THR  36  -3.019 -14.075  -1.405
  270   2HG2  THR  36          2HG2      THR  36  -3.553 -12.690  -0.422
  271   3HG2  THR  36          3HG2      THR  36  -2.134 -13.626   0.067
  272    H    LEU  37           H        LEU  37  -2.237  -9.410  -1.825
  273    HA   LEU  37           HA       LEU  37  -4.787  -8.988  -0.677
  274   1HB   LEU  37          1HB       LEU  37  -3.437  -6.741  -2.189
  275   2HB   LEU  37          2HB       LEU  37  -4.419  -6.690  -0.716
  276    HG   LEU  37           HG       LEU  37  -1.624  -7.631  -1.042
  277   1HD1  LEU  37          1HD1      LEU  37  -1.791  -5.338  -1.446
  278   2HD1  LEU  37          2HD1      LEU  37  -1.039  -5.543   0.136
  279   3HD1  LEU  37          3HD1      LEU  37  -2.750  -5.043   0.034
  280   1HD2  LEU  37          1HD2      LEU  37  -2.755  -8.804   0.815
  281   2HD2  LEU  37          2HD2      LEU  37  -3.326  -7.247   1.461
  282   3HD2  LEU  37          3HD2      LEU  37  -1.593  -7.649   1.455
  283    H    GLN  38           H        GLN  38  -3.499  -8.385  -3.907
  284    HA   GLN  38           HA       GLN  38  -5.609  -6.824  -4.725
  285   1HB   GLN  38          1HB       GLN  38  -3.350  -6.807  -5.658
  286   2HB   GLN  38          2HB       GLN  38  -3.610  -8.383  -6.392
  287   1HG   GLN  38          1HG       GLN  38  -4.024  -6.988  -8.193
  288   2HG   GLN  38          2HG       GLN  38  -5.658  -7.220  -7.603
  289   1HE2  GLN  38          1HE2      GLN  38  -2.811  -4.996  -7.323
  290   2HE2  GLN  38          2HE2      GLN  38  -3.810  -3.572  -7.035
  291    H    GLN  39           H        GLN  39  -4.968 -10.341  -4.875
  292    HA   GLN  39           HA       GLN  39  -7.137 -11.164  -6.515
  293   1HB   GLN  39          1HB       GLN  39  -6.029 -12.794  -4.219
  294   2HB   GLN  39          2HB       GLN  39  -6.954 -13.334  -5.605
  295   1HG   GLN  39          1HG       GLN  39  -4.089 -12.553  -5.438
  296   2HG   GLN  39          2HG       GLN  39  -4.815 -14.018  -6.067
  297   1HE2  GLN  39          1HE2      GLN  39  -3.710 -10.846  -6.793
  298   2HE2  GLN  39          2HE2      GLN  39  -4.055 -10.881  -8.529
  299    H    LEU  40           H        LEU  40  -6.739 -10.731  -2.954
  300    HA   LEU  40           HA       LEU  40  -9.368 -11.588  -2.240
  301   1HB   LEU  40          1HB       LEU  40  -7.451  -9.711  -0.802
  302   2HB   LEU  40          2HB       LEU  40  -8.950 -10.313  -0.111
  303    HG   LEU  40           HG       LEU  40  -6.652 -12.103  -1.012
  304   1HD1  LEU  40          1HD1      LEU  40  -6.188 -12.363   1.390
  305   2HD1  LEU  40          2HD1      LEU  40  -7.473 -11.197   1.780
  306   3HD1  LEU  40          3HD1      LEU  40  -6.023 -10.673   0.895
  307   1HD2  LEU  40          1HD2      LEU  40  -9.211 -12.709   0.537
  308   2HD2  LEU  40          2HD2      LEU  40  -7.845 -13.830   0.348
  309   3HD2  LEU  40          3HD2      LEU  40  -8.765 -13.329  -1.069
  310    H    PHE  41           H        PHE  41  -8.087  -8.214  -2.679
  311    HA   PHE  41           HA       PHE  41 -10.694  -7.036  -2.400
  312   1HB   PHE  41          1HB       PHE  41  -8.268  -5.964  -3.873
  313   2HB   PHE  41          2HB       PHE  41  -9.693  -5.028  -3.442
  314    HD1  PHE  41           HD1      PHE  41 -10.266  -5.651  -0.623
  315    HD2  PHE  41           HD2      PHE  41  -6.477  -5.049  -2.611
  316    HE1  PHE  41           HE1      PHE  41  -9.206  -5.136   1.532
  317    HE2  PHE  41           HE2      PHE  41  -5.435  -4.526  -0.442
  318    HZ   PHE  41           HZ       PHE  41  -6.775  -4.643   1.646
  319    H    LEU  42           H        LEU  42  -9.124  -8.445  -5.292
  320    HA   LEU  42           HA       LEU  42 -11.142  -7.563  -7.144
  321   1HB   LEU  42          1HB       LEU  42  -8.954  -8.238  -7.835
  322   2HB   LEU  42          2HB       LEU  42  -9.120  -9.844  -7.146
  323    HG   LEU  42           HG       LEU  42 -10.981  -8.976  -9.372
  324   1HD1  LEU  42          1HD1      LEU  42  -9.325  -9.837 -11.003
  325   2HD1  LEU  42          2HD1      LEU  42  -8.140 -10.051  -9.693
  326   3HD1  LEU  42          3HD1      LEU  42  -8.703  -8.425 -10.140
  327   1HD2  LEU  42          1HD2      LEU  42 -10.805 -11.412  -9.968
  328   2HD2  LEU  42          2HD2      LEU  42 -11.460 -11.190  -8.355
  329   3HD2  LEU  42          3HD2      LEU  42  -9.763 -11.672  -8.554
  330    H    SER  43           H        SER  43 -10.771 -10.465  -5.110
  331    HA   SER  43           HA       SER  43 -12.887 -11.982  -6.233
  332   1HB   SER  43          1HB       SER  43 -11.077 -13.029  -5.052
  333   2HB   SER  43          2HB       SER  43 -11.332 -12.054  -3.612
  334    HG   SER  43           HG       SER  43 -12.244 -14.407  -3.986
  335    H    THR  44           H        THR  44 -12.730 -10.460  -3.015
  336    HA   THR  44           HA       THR  44 -15.611 -10.230  -2.859
  337    HB   THR  44           HB       THR  44 -15.331 -11.758  -0.678
  338    HG1  THR  44           HG1      THR  44 -13.376 -12.907  -2.402
  339   1HG2  THR  44          1HG2      THR  44 -16.795 -12.301  -2.589
  340   2HG2  THR  44          2HG2      THR  44 -16.005 -13.727  -1.876
  341   3HG2  THR  44          3HG2      THR  44 -15.417 -13.065  -3.415
  342    H    LEU  45           H        LEU  45 -12.471  -9.800  -1.371
  343    HA   LEU  45           HA       LEU  45 -13.494  -8.346   0.931
  344   1HB   LEU  45          1HB       LEU  45 -11.297  -9.641   0.779
  345   2HB   LEU  45          2HB       LEU  45 -10.686  -8.341  -0.244
  346    HG   LEU  45           HG       LEU  45 -10.898  -6.745   1.620
  347   1HD1  LEU  45          1HD1      LEU  45 -11.869  -9.138   3.241
  348   2HD1  LEU  45          2HD1      LEU  45 -12.785  -7.655   2.892
  349   3HD1  LEU  45          3HD1      LEU  45 -11.361  -7.578   3.924
  350   1HD2  LEU  45          1HD2      LEU  45  -9.092  -7.652   3.002
  351   2HD2  LEU  45          2HD2      LEU  45  -8.812  -8.031   1.296
  352   3HD2  LEU  45          3HD2      LEU  45  -9.418  -9.290   2.395
  353    H    SER  46           H        SER  46 -12.772  -5.937   1.242
  354    HA   SER  46           HA       SER  46 -12.148  -4.342  -1.004
  355   1HB   SER  46          1HB       SER  46 -15.003  -4.214   0.067
  356   2HB   SER  46          2HB       SER  46 -14.232  -2.899  -0.848
  357    HG   SER  46           HG       SER  46 -14.048  -5.465  -1.942
  358    H    PHE  47           H        PHE  47 -12.661  -1.810   0.099
  359    HA   PHE  47           HA       PHE  47 -11.409  -2.013   2.760
  360   1HB   PHE  47          1HB       PHE  47 -10.256  -1.120   0.355
  361   2HB   PHE  47          2HB       PHE  47 -10.784   0.357   1.121
  362    HD1  PHE  47           HD1      PHE  47  -8.464  -2.492   1.230
  363    HD2  PHE  47           HD2      PHE  47  -9.847   0.996   3.341
  364    HE1  PHE  47           HE1      PHE  47  -6.524  -2.647   2.790
  365    HE2  PHE  47           HE2      PHE  47  -7.932   0.819   4.914
  366    HZ   PHE  47           HZ       PHE  47  -6.274  -1.019   4.641
  367    H    VAL  48           H        VAL  48 -11.696   0.155   3.892
  368    HA   VAL  48           HA       VAL  48 -13.957   1.753   3.128
  369    HB   VAL  48           HB       VAL  48 -15.161   0.104   4.350
  370   1HG1  VAL  48          1HG1      VAL  48 -13.339   0.538   6.735
  371   2HG1  VAL  48          2HG1      VAL  48 -14.817  -0.452   6.689
  372   3HG1  VAL  48          3HG1      VAL  48 -13.422  -0.929   5.717
  373   1HG2  VAL  48          1HG2      VAL  48 -16.181   1.405   6.160
  374   2HG2  VAL  48          2HG2      VAL  48 -14.824   2.547   6.123
  375   3HG2  VAL  48          3HG2      VAL  48 -15.912   2.382   4.721
  376    H    CYS  49           H        CYS  49 -13.549   3.890   3.672
  377    HA   CYS  49           HA       CYS  49 -10.841   4.477   4.529
  378   1HB   CYS  49          1HB       CYS  49 -11.563   6.836   4.213
  379   2HB   CYS  49          2HB       CYS  49 -11.875   5.829   2.813
  380    HA   PRO  50           HA       PRO  50 -11.463   4.702   8.813
  381   1HB   PRO  50          1HB       PRO  50 -10.020   6.904   9.700
  382   2HB   PRO  50          2HB       PRO  50  -9.321   5.335   9.201
  383   1HG   PRO  50          1HG       PRO  50  -9.634   7.851   7.544
  384   2HG   PRO  50          2HG       PRO  50  -8.197   6.788   7.689
  385   1HD   PRO  50          1HD       PRO  50  -9.877   6.573   5.585
  386   2HD   PRO  50          2HD       PRO  50  -9.203   5.102   6.348
  387    H    TRP  51           H        TRP  51 -12.146   7.789   7.196
  388    HA   TRP  51           HA       TRP  51 -13.894   8.943   9.087
  389   1HB   TRP  51          1HB       TRP  51 -13.093  10.127   7.100
  390   2HB   TRP  51          2HB       TRP  51 -13.999   9.038   6.052
  391    HD1  TRP  51           HD1      TRP  51 -14.535  11.834   8.629
  392    HE1  TRP  51           HE1      TRP  51 -16.884  12.830   8.357
  393    HE3  TRP  51           HE3      TRP  51 -16.354   8.675   5.034
  394    HZ2  TRP  51           HZ2      TRP  51 -19.279  12.276   6.841
  395    HZ3  TRP  51           HZ3      TRP  51 -18.678   8.924   4.208
  396    HH2  TRP  51           HH2      TRP  51 -20.147  10.710   5.109
  397    H    CYS  52           H        CYS  52 -14.592   6.567   6.439
  398    HA   CYS  52           HA       CYS  52 -17.369   6.265   7.222
  399   1HB   CYS  52          1HB       CYS  52 -15.482   4.829   5.356
  400   2HB   CYS  52          2HB       CYS  52 -17.006   4.107   5.812
  401    H    ALA  53           H        ALA  53 -14.305   4.589   8.124
  402    HA   ALA  53           HA       ALA  53 -15.606   2.502   9.577
  403   1HB   ALA  53          1HB       ALA  53 -12.916   3.762  10.228
  404   2HB   ALA  53          2HB       ALA  53 -13.481   2.143  10.658
  405   3HB   ALA  53          3HB       ALA  53 -13.173   2.539   8.955
  406    H    THR  54           H        THR  54 -14.856   5.872  10.450
  407    HA   THR  54           HA       THR  54 -15.743   5.394  13.192
  408    HB   THR  54           HB       THR  54 -13.644   6.694  12.352
  409    HG1  THR  54           HG1      THR  54 -15.392   7.506  14.432
  410   1HG2  THR  54          1HG2      THR  54 -13.836   9.098  12.362
  411   2HG2  THR  54          2HG2      THR  54 -15.605   9.017  12.474
  412   3HG2  THR  54          3HG2      THR  54 -14.766   8.425  11.021
  413    H    ASN  55           H        ASN  55 -17.243   6.700  10.336
  414    HA   ASN  55           HA       ASN  55 -19.467   7.845  11.995
  415   1HB   ASN  55          1HB       ASN  55 -18.820   8.197   9.035
  416   2HB   ASN  55          2HB       ASN  55 -20.257   8.818   9.838
  417   1HD2  ASN  55          1HD2      ASN  55 -16.715   9.057   9.750
  418   2HD2  ASN  55          2HD2      ASN  55 -16.660  10.663  10.494
  419    H    GLN  56           H        GLN  56 -18.688   5.322   9.681
  420    HA   GLN  56           HA       GLN  56 -19.616   3.640   8.778
  421   1HB   GLN  56          1HB       GLN  56 -20.971   3.738  11.445
  422   2HB   GLN  56          2HB       GLN  56 -21.137   2.351  10.334
  423   1HG   GLN  56          1HG       GLN  56 -18.751   1.962  10.331
  424   2HG   GLN  56          2HG       GLN  56 -18.447   3.476  11.181
  425   1HE2  GLN  56          1HE2      GLN  56 -17.283   2.546  12.854
  426   2HE2  GLN  56          2HE2      GLN  56 -18.097   1.564  14.093