*HEADER    ANTIMICROBIAL PROTEIN                   17-OCT-13   2RU0              
*TITLE     SOLUTION STRUCTURE OF ACTINOMYCIN                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARTHROPOD DEFENSIN;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 31-66;                                        
*COMPND   5 SYNONYM: ACTINOMYCIN;                                                
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ACTINOMYCES SP. ORAL TAXON 171;                 
*SOURCE   3 ORGANISM_TAXID: 706439;                                              
*SOURCE   4 STRAIN: F0337;                                                       
*SOURCE   5 GENE: HMPREF9057_00043;                                              
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.UMETSU, S.OHKI                                                      
*REVDAT   1   22-OCT-14 2RU0    0                                                


 21 THR  H      21 THR  QG2     3.98             
 20 TYR  H      20 TYR  HB3     4.14               
 20 TYR  H      20 TYR  HB2     3.23               
 18 LYS  H      19 GLY  H       3.27               
 19 GLY  H      20 TYR  H       3.22               
 33 CYSS H      33 CYSS HB2     3.64               
 33 CYSS H      33 CYSS HB3     3.64               
 25 CYSS HA     33 CYSS HA      3.85               
 35 CYSS H      35 CYSS HB2     3.30               
 35 CYSS H      35 CYSS HB3     3.78               
 18 LYS  H      18 LYS  QE      5.50             
 26 ARG  H      26 ARG  HD2     5.50               
 26 ARG  H      26 ARG  HD3     5.50               
 26 ARG  H      26 ARG  QG      5.30             
 15 CYSS H      15 CYSS QB      2.96               
 16 VAL  H      16 VAL  HB      2.84               
 16 VAL  H      16 VAL  QG1     3.87               
 16 VAL  H      16 VAL  QG2     2.93               
  8 ALA  H       8 ALA  QB      2.86               
  7 ASN  H       7 ASN  HB2     3.63               
  7 ASN  H       7 ASN  HB3     3.76               
  9 TYR  H       9 TYR  HB3     3.34               
  9 TYR  H       9 TYR  HB2     2.96               
 12 ASP  H      13 ARG  H       3.31               
 13 ARG  H      14 HIS  H       3.53               
 17 SER  H      17 SER  QB      2.93               
 14 HIS  H      14 HIS  HB3     3.05               
 14 HIS  H      14 HIS  HB2     3.18               
  4 CYSS H       4 CYSS HB2     4.07             
  4 CYSS H       4 CYSS HB3     4.07               
 10 GLU  H      10 GLU  QB      2.86               
 10 GLU  H      10 GLU  HG3     4.81             
 10 GLU  H      10 GLU  HG2     4.81             
 13 ARG  H      13 ARG  HG3     3.67               
 13 ARG  H      13 ARG  HG2     3.67               
 13 ARG  H      13 ARG  QB      2.90               
 12 ASP  HB2    13 ARG  H       3.95               
 12 ASP  H      12 ASP  HB2     2.96               
 12 ASP  H      12 ASP  HB3     2.95               
 28 LYS  H      28 LYS  HB2     3.72               
 28 LYS  H      28 LYS  HB3     3.72               
 28 LYS  H      28 LYS  QD      5.15             
 28 LYS  H      28 LYS  HG3     4.79               
 28 LYS  H      28 LYS  QE      5.42               
 28 LYS  H      28 LYS  HG2     4.79             
 23 GLY  HA2    24 ASN  HD21    4.71               
 23 GLY  HA2    36 TYR  QD      4.90               
 23 GLY  HA2    24 ASN  HD22    4.91             
  2 PHE  HA      2 PHE  HD2     4.12             
 24 ASN  HB3    24 ASN  HD21    3.11               
 26 ARG  H      32 THR  H       5.30               
 29 ILE  HB     29 ILE  QD1     3.41             
  5 PRO  HD3     6 TRP  HE1     5.50               
  5 PRO  HD2     6 TRP  HE1     5.24               
  5 PRO  HG3     6 TRP  HE1     4.70               
  5 PRO  HG2     6 TRP  HE1     4.90               
 23 GLY  HA2    24 ASN  H       3.08               
 24 ASN  H      35 CYSS HA      4.23               
  7 ASN  HA      8 ALA  H       2.98               
  7 ASN  HA      9 TYR  H       4.78               
 35 CYSS HA     36 TYR  H       2.98               
 24 ASN  HA     25 CYSS H       3.52               
 20 TYR  HA     21 THR  H       3.31               
 32 THR  HA     33 CYSS H       3.03               
  4 CYSS HA      7 ASN  H       4.89               
  6 TRP  HB2     7 ASN  H       4.72               
 32 THR  HB     33 CYSS H       4.79               
 20 TYR  HB3    21 THR  H       3.06               
 24 ASN  H      34 HIS  HB3     4.62               
 24 ASN  H      34 HIS  HB2     5.50               
 15 CYSS QB     24 ASN  H       5.41               
 15 CYSS QB     21 THR  H       5.14               
 20 TYR  HB2    21 THR  H       3.73             
 32 THR  QG2    33 CYSS H       3.65               
 21 THR  H      35 CYSS HB3     5.50               
  8 ALA  QB     25 CYSS H       4.60               
 25 CYSS H      26 ARG  QG      5.13               
  7 ASN  H      10 GLU  QB      5.50               
 13 ARG  H      16 VAL  HB      4.79               
 10 GLU  QB     13 ARG  H       5.39               
 15 CYSS QB     16 VAL  H       3.17               
 12 ASP  HB3    13 ARG  H       3.22               
 24 ASN  HB2    25 CYSS H       3.89             
 24 ASN  HB3    25 CYSS H       3.22               
  6 TRP  HB3     7 ASN  H       4.31               
  9 TYR  HA     13 ARG  H       4.70               
 12 ASP  HA     23 GLY  H       3.21               
 22 GLY  HA3    23 GLY  H       3.10               
  2 PHE  HA      3 GLY  H       3.47               
 14 HIS  HB3    15 CYSS H       3.38               
 11 CYSS HB2    12 ASP  H       3.97             
  4 CYSS H       7 ASN  HA      5.38               
  7 ASN  HA     10 GLU  H       5.50               
 12 ASP  HB3    23 GLY  H       4.91               
 15 CYSS QB     23 GLY  H       4.29               
 18 LYS  QB     19 GLY  H       4.85               
 19 GLY  H      20 TYR  HB2     5.10               
 16 VAL  QG2    23 GLY  H       4.53               
 16 VAL  QG1    17 SER  H       3.95               
 16 VAL  QG2    17 SER  H       4.10             
 15 CYSS H      16 VAL  QG2     4.53               
 15 CYSS H      16 VAL  QG1     5.50               
 14 HIS  H      16 VAL  QG2     4.84               
 13 ARG  H      16 VAL  QG2     5.31               
 35 CYSS HB2    36 TYR  H       4.51             
 35 CYSS HB3    36 TYR  H       3.52               
 20 TYR  HB2    36 TYR  H       4.58               
 16 VAL  HB     17 SER  H       3.32               
 26 ARG  HB3    27 GLY  H       3.82               
  9 TYR  H      10 GLU  QB      4.61               
 16 VAL  H      20 TYR  HB2     5.35               
 14 HIS  H      15 CYSS QB      5.02               
  7 ASN  HB3     8 ALA  H       4.60               
 11 CYSS HB3    12 ASP  H       3.30               
 15 CYSS QB     36 TYR  H       4.40               
  3 GLY  H       5 PRO  HD2     5.50               
 26 ARG  HB2    27 GLY  H       3.82               
 15 CYSS QB     20 TYR  H       4.43               
 10 GLU  H      11 CYSS HB3     5.31               
  5 PRO  HD2     6 TRP  HH2     5.50               
  6 TRP  HH2     7 ASN  HB3     5.50               
  6 TRP  HH2     7 ASN  HB2     5.31               
 14 HIS  HB2    15 CYSS H       4.07               
 10 GLU  H      11 CYSS HB2     5.09               
  9 TYR  HB3    10 GLU  H       3.93               
  9 TYR  HB2    10 GLU  H       3.62               
  4 CYSS H       7 ASN  HB2     3.66               
 24 ASN  HB3    36 TYR  QE      4.08               
 20 TYR  H      35 CYSS HB3     5.50               
 18 LYS  QB     20 TYR  H       4.85               
 15 CYSS QB     20 TYR  QD      4.66               
 18 LYS  QB     20 TYR  QD      4.42             
 20 TYR  QD     35 CYSS HB2     5.50               
  8 ALA  QB     24 ASN  HD21    4.24               
  2 PHE  HD2    10 GLU  HG2     5.50               
  2 PHE  HD2    10 GLU  HG3     5.50               
 16 VAL  QG2    24 ASN  HD21    5.50               
 36 TYR  HA     36 TYR  QD      4.54               
  1 GLY  QA      2 PHE  HD2     4.69               
 14 HIS  HD2    15 CYSS HA      4.19               
 23 GLY  HA3    24 ASN  HD22    5.50               
 22 GLY  HA2    24 ASN  HD22    5.02               
 22 GLY  HA3    24 ASN  HD22    3.95               
 14 HIS  HB3    14 HIS  HD2     3.49               
 18 LYS  QE     20 TYR  QE      5.32               
 18 LYS  QB     20 TYR  QE      3.42               
 14 HIS  HD2    15 CYSS QB      4.90               
 20 TYR  QE     35 CYSS HB3     4.96               
 18 LYS  QG     20 TYR  QE      3.95               
 21 THR  QG2    24 ASN  HD22    4.05               
 24 ASN  HD22   36 TYR  H       5.50               
 24 ASN  HD22   36 TYR  QE      4.66               
 22 GLY  H      24 ASN  HD22    5.26             
 14 HIS  HD2    15 CYSS H       4.01               
 24 ASN  H      24 ASN  HD22    4.36               
 12 ASP  H      24 ASN  HD21    4.72               
 20 TYR  H      20 TYR  QE      4.72               
 20 TYR  H      20 TYR  QD      3.68               
 24 ASN  H      36 TYR  H       5.25             
 24 ASN  H      24 ASN  HD21    4.73               
 24 ASN  H      36 TYR  QD      5.04               
 21 THR  H      36 TYR  H       4.83               
 21 THR  H      22 GLY  H       3.14               
 20 TYR  QD     21 THR  H       4.32             
 24 ASN  H      34 HIS  H       3.73               
 33 CYSS H      34 HIS  H       4.88               
 24 ASN  H      25 CYSS H       4.77               
 32 THR  H      33 CYSS H       5.15               
 34 HIS  H      35 CYSS H       4.91               
 23 GLY  H      24 ASN  H       4.94               
 16 VAL  H      17 SER  H       3.22               
 15 CYSS H      16 VAL  H       3.26               
 27 GLY  H      28 LYS  H       4.87             
  7 ASN  H       8 ALA  H       4.06               
  2 PHE  H       3 GLY  H       3.70               
  9 TYR  H      10 GLU  H       3.30               
  6 TRP  H       7 ASN  H       3.49               
  2 PHE  H       2 PHE  HD2     4.13               
 16 VAL  H      18 LYS  H       4.85               
 11 CYSS H      13 ARG  H       4.95               
  9 TYR  H      11 CYSS H       5.17               
 11 CYSS H      12 ASP  H       3.29               
 14 HIS  H      14 HIS  HD2     5.08               
 20 TYR  QD     36 TYR  H       5.50               
 36 TYR  H      36 TYR  QD      3.76               
 17 SER  H      18 LYS  H       3.41               
 22 GLY  H      36 TYR  H       3.70               
 23 GLY  H      24 ASN  HD22    4.31             
  3 GLY  H       4 CYSS H       4.30               
  5 PRO  HD2     6 TRP  HZ2     5.02               
  6 TRP  HE3     7 ASN  H       5.50               
 20 TYR  H      21 THR  H       5.00               
 12 ASP  H      23 GLY  H       5.50               
 14 HIS  H      23 GLY  H       5.50               
 19 GLY  H      20 TYR  QD      4.76               
 23 GLY  HA3    24 ASN  HD21    4.97               
 12 ASP  HB2    24 ASN  HD21    3.36               
 10 GLU  H      12 ASP  H       4.72               
  4 CYSS H       7 ASN  H       5.04               
  6 TRP  HH2     7 ASN  H       5.50               
 25 CYSS HA     34 HIS  H       4.66               
 25 CYSS HA     26 ARG  H       3.27               
 33 CYSS HA     34 HIS  H       3.18               
 21 THR  H      21 THR  HB      3.63               
 15 CYSS QB     35 CYSS HA      4.14               
 25 CYSS HA     28 LYS  QD      5.17               
 25 CYSS HA     26 ARG  QG      4.72               
 32 THR  QG2    33 CYSS HA      4.77               
  7 ASN  HA      8 ALA  QB      4.73               
 32 THR  HA     33 CYSS HA      4.53               
 12 ASP  HA     23 GLY  HA2     4.37               
 17 SER  HA     17 SER  QB      2.90               
 16 VAL  QG2    22 GLY  HA3     3.43               
 16 VAL  QG1    17 SER  HA      3.83               
 18 LYS  HA     18 LYS  QG      3.92               
 21 THR  HA     21 THR  QG2     3.29               
 32 THR  HA     32 THR  QG2     3.24               
 16 VAL  HA     16 VAL  QG2     2.95               
 16 VAL  QG1    17 SER  QB      4.58               
 28 LYS  HA     29 ILE  QG2     4.85               
 12 ASP  HA     16 VAL  QG2     4.47               
 15 CYSS HA     18 LYS  QG      4.42               
  3 GLY  HA2    10 GLU  QB      4.63               
 15 CYSS QB     16 VAL  HA      4.88               
 16 VAL  HA     20 TYR  HB2     4.62               
 13 ARG  HA     16 VAL  HB      3.31               
 20 TYR  HB3    35 CYSS HB3     3.97               
  3 GLY  HA3    10 GLU  QB      4.63               
 17 SER  QB     18 LYS  QG      5.14               
 28 LYS  HA     29 ILE  QG1     5.50               
  9 TYR  HA     12 ASP  HB2     3.71               
  9 TYR  HA     12 ASP  HB3     3.89               
  6 TRP  HA      7 ASN  HB2     5.50               
 15 CYSS HA     18 LYS  HA      5.41               
 16 VAL  HA     22 GLY  HA3     4.71               
 13 ARG  HA     13 ARG  QD      3.68               
 15 CYSS QB     22 GLY  HA2     3.58               
 10 GLU  HA     10 GLU  HG2     3.85               
 10 GLU  HA     10 GLU  HG3     3.85               
 10 GLU  HA     10 GLU  QB      2.85               
 15 CYSS HA     18 LYS  QB      4.66               
 15 CYSS HA     20 TYR  HB2     4.56               
  8 ALA  QB      9 TYR  HB2     4.64               
 13 ARG  QB     13 ARG  QD      3.40               
  7 ASN  HB2    10 GLU  QB      4.37               
  7 ASN  HB3    10 GLU  QB      4.73               
 12 ASP  HB3    16 VAL  QG2     5.31               
 12 ASP  HB2    16 VAL  QG2     4.91               
 13 ARG  QD     16 VAL  QG2     5.20               
 16 VAL  QG2    21 THR  QG2     4.59               
 29 ILE  QG2    29 ILE  QG1     3.55               
 13 ARG  QD     16 VAL  QG1     5.29               
 28 LYS  QE     29 ILE  QG2     5.50               
 15 CYSS QB     16 VAL  QG1     5.39               
 15 CYSS QB     16 VAL  QG2     4.07               
 32 THR  QG2    34 HIS  HB2     3.98               
 32 THR  QG2    33 CYSS HB3     5.17               
 16 VAL  HA     16 VAL  QG1     3.16             
 13 ARG  HA     16 VAL  QG1     4.21               
 13 ARG  HA     16 VAL  QG2     3.55               
 16 VAL  QG1    22 GLY  HA2     4.70               
 16 VAL  QG2    22 GLY  HA2     3.27               
 32 THR  QG2    34 HIS  HB3     5.50               
 32 THR  QG2    33 CYSS HB2     5.17               
 20 TYR  HB3    21 THR  QG2     5.13               
 21 THR  QG2    22 GLY  HA2     5.50               
 21 THR  QG2    22 GLY  HA3     4.64               
  5 PRO  HB2     6 TRP  HB3     4.40               
  5 PRO  HG2     6 TRP  HB3     4.75               
  8 ALA  QB     11 CYSS HB3     4.45               
 13 ARG  QD     16 VAL  HB      4.40               
 26 ARG  QG     34 HIS  HB3     4.71               
  8 ALA  QB     11 CYSS HB2     5.50               
 10 GLU  HA     13 ARG  QB      3.98               
 18 LYS  HA     18 LYS  HD2     4.25               
  8 ALA  QB      9 TYR  HA      4.33               
 18 LYS  HA     18 LYS  HD3     4.25               
 15 CYSS QB     20 TYR  HB2     5.21             
 15 CYSS QB     16 VAL  HB      5.43               
 15 CYSS QB     18 LYS  QB      5.25               
  8 ALA  HA     11 CYSS HB3     3.77               
 34 HIS  H      34 HIS  HB3     3.95               
 27 GLY  QA     28 LYS  H       3.45               
  1 GLY  QA      2 PHE  H       2.88               
 20 TYR  HB3    36 TYR  H       3.88               
  1 GLY  QA      3 GLY  H       4.07               
 22 GLY  HA2    23 GLY  H       3.47               
 32 THR  H      32 THR  HB      3.49               
 27 GLY  H      28 LYS  HA      4.95               
  9 TYR  HA     12 ASP  H       3.80               
 15 CYSS H      16 VAL  HA      4.94               
 17 SER  HA     19 GLY  H       4.35               
 16 VAL  HA     19 GLY  H       4.10               
 20 TYR  HA     20 TYR  QD      3.89               
 15 CYSS HA     20 TYR  H       4.71               
 21 THR  HB     22 GLY  H       4.09               
 16 VAL  HA     18 LYS  H       4.48               
 17 SER  QB     18 LYS  H       4.16             
  8 ALA  HA     11 CYSS H       4.00               
 15 CYSS HA     18 LYS  H       3.94               
 15 CYSS HA     20 TYR  QD      3.64               
 23 GLY  HA3    36 TYR  H       5.32               
 11 CYSS H      11 CYSS HB2     3.59               
 20 TYR  HB3    22 GLY  H       3.78               
  6 TRP  H       6 TRP  HB3     4.00               
  5 PRO  HD2     6 TRP  H       4.04               
  5 PRO  HD3     6 TRP  H       3.86               
 11 CYSS H      11 CYSS HB3     3.46               
 11 CYSS H      12 ASP  HB3     4.73               
 11 CYSS HB3    24 ASN  HD21    4.53               
 24 ASN  HB2    36 TYR  QD      4.91               
 24 ASN  HB2    36 TYR  QE      3.78               
  4 CYSS H       7 ASN  HB3     3.91               
  7 ASN  HB3    10 GLU  H       4.18               
 15 CYSS H      18 LYS  QE      4.91               
 26 ARG  HD3    27 GLY  H       4.86               
 34 HIS  HB2    35 CYSS H       5.06               
 12 ASP  HB2    23 GLY  H       4.33               
 13 ARG  QB     14 HIS  H       3.73               
  8 ALA  QB     12 ASP  H       4.72               
 32 THR  H      32 THR  QG2     4.22             
 21 THR  QG2    22 GLY  H       4.31               
 18 LYS  H      18 LYS  QG      4.20               
 20 TYR  QD     35 CYSS HB3     4.13               
 18 LYS  QG     20 TYR  QD      4.30               
 21 THR  QG2    36 TYR  QD      4.04               
 13 ARG  HA     17 SER  H       4.53               
 23 GLY  HA2    36 TYR  H       3.73               
 10 GLU  HA     13 ARG  H       4.05               
 12 ASP  HA     15 CYSS H       4.02               
 13 ARG  HA     16 VAL  H       3.58               
 35 CYSS HA     36 TYR  QD      4.25               
 26 ARG  QG     27 GLY  H       4.29               
 26 ARG  HD2    27 GLY  H       4.86               
 15 CYSS HA     35 CYSS HB3     5.50               
 23 GLY  HA3    35 CYSS HB3     5.50               
  1 GLY  QA      2 PHE  HA      4.14               
 12 ASP  HA     22 GLY  HA2     4.39               
  8 ALA  HA     11 CYSS HB2     4.44               
 12 ASP  HA     22 GLY  HA3     4.09               
 15 CYSS HA     22 GLY  HA2     4.72               
 22 GLY  HA2    23 GLY  HA3     5.20               
 22 GLY  HA3    23 GLY  HA3     5.08               
 23 GLY  HA3    35 CYSS HA      3.77               
  9 TYR  H      12 ASP  HB3     5.01               
  7 ASN  HB2     8 ALA  H       4.55               
 13 ARG  QB     16 VAL  H       5.12               
 15 CYSS H      22 GLY  HA2     5.10               
  9 TYR  HB3    12 ASP  H       5.50               
  4 CYSS H       8 ALA  QB      5.50               
  8 ALA  QB     10 GLU  H       5.50               
  2 PHE  QB      2 PHE  HD2     2.85            
  2 PHE  QB      3 GLY  H       4.34            
  2 PHE  HD2    10 GLU  QG      4.63            
  3 GLY  H      10 GLU  QG      5.34            
  3 GLY  QA      7 ASN  H       4.83            
  3 GLY  QA      7 ASN  HB2     4.47            
  3 GLY  QA     10 GLU  QB      3.86            
 10 GLU  H      10 GLU  QG      4.11            
 10 GLU  HA     10 GLU  QG      3.22            
 10 GLU  HA     13 ARG  QG      4.51            
 13 ARG  H      13 ARG  QG      3.07            
 13 ARG  HA     13 ARG  QG      3.67            
 13 ARG  QG     14 HIS  H       5.06            
 13 ARG  QG     16 VAL  H       5.22            
 13 ARG  QG     16 VAL  QG2     4.83            
 15 CYSS H      18 LYS  QD      4.45            
 15 CYSS HA     18 LYS  QD      3.65            
 16 VAL  H      18 LYS  QD      5.29            
 17 SER  H      18 LYS  QD      4.22            
 17 SER  HA     18 LYS  QD      5.17            
 17 SER  QB     18 LYS  QD      5.19            
 18 LYS  H      18 LYS  QD      3.50            
 18 LYS  H      19 GLY  QA      4.62            
 18 LYS  HA     18 LYS  QD      3.66            
 18 LYS  QB     18 LYS  QD      2.64            
 18 LYS  QD     19 GLY  H       4.51            
 18 LYS  QD     20 TYR  H       5.15            
 18 LYS  QD     20 TYR  QD      4.32            
 18 LYS  QD     20 TYR  QE      5.34            
 19 GLY  QA     20 TYR  H       3.11            
 25 CYSS H      25 CYSS QB      3.16            
 25 CYSS HA     26 ARG  QB      5.18            
 25 CYSS QB     26 ARG  QG      5.34            
 25 CYSS QB     28 LYS  QD      4.54            
 26 ARG  QB     26 ARG  QD      3.29            
 26 ARG  QB     27 GLY  H       3.00            
 26 ARG  QB     34 HIS  HB3     5.34            
 26 ARG  QD     27 GLY  H       4.14            
 27 GLY  H      28 LYS  QG      5.34            
 28 LYS  H      28 LYS  QB      3.11            
 28 LYS  H      28 LYS  QG      4.03            
 28 LYS  QG     29 ILE  QG2     4.24            
 28 LYS  QG     29 ILE  QD1     4.52            
 32 THR  QG2    33 CYSS QB      4.49            
 33 CYSS H      33 CYSS QB      3.10            
 35 CYSS HB3    36 TYR  QB      5.34            
 4 CYSS SG   25 CYSS SG   2.10
 4 CYSS SG   25 CYSS CB   3.10
 4 CYSS CB   25 CYSS SG   3.10
11 CYSS SG   33 CYSS SG   2.10
11 CYSS SG   33 CYSS CB   3.10
11 CYSS CB   33 CYSS SG   3.10
15 CYSS SG   35 CYSS SG   2.10
15 CYSS SG   35 CYSS CB   3.10
15 CYSS CB   35 CYSS SG   3.10

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   1.811  -0.001   0.854
    2    HA2  GLY   1           2HA      GLY   1   3.125   0.088  -1.027
    3    HA3  GLY   1           3HA      GLY   1   1.897  -0.935  -1.758
    4    H    PHE   2           H        PHE   2   2.526   2.472  -0.944
    5    HA   PHE   2           HA       PHE   2   1.062   3.221  -3.388
    6    HB2  PHE   2           2HB      PHE   2   1.498   4.762  -0.825
    7    HB3  PHE   2           3HB      PHE   2   0.805   5.466  -2.283
    8    HD1  PHE   2           HD2      PHE   2   0.264   3.131   0.482
    9    HD2  PHE   2           HD1      PHE   2  -1.430   4.925  -2.986
   10    HE1  PHE   2           HE2      PHE   2  -1.966   2.354   1.173
   11    HE2  PHE   2           HE1      PHE   2  -3.663   4.151  -2.300
   12    HZ   PHE   2           HZ       PHE   2  -3.933   2.863  -0.218
   13    H    GLY   3           H        GLY   3   3.638   2.396  -3.730
   14    HA2  GLY   3           2HA      GLY   3   4.835   4.353  -5.216
   15    HA3  GLY   3           3HA      GLY   3   5.492   4.585  -3.602
   16    H    CYS   4           H        CYS   4   6.673   3.660  -6.221
   17    HA   CYS   4           HA       CYS   4   8.561   1.877  -5.207
   18    HB2  CYS   4           2HB      CYS   4   6.115   0.601  -5.992
   19    HB3  CYS   4           3HB      CYS   4   7.400   0.105  -7.089
   20    HA   PRO   5           HA       PRO   5   9.041   2.052 -10.006
   21    HB2  PRO   5           2HB      PRO   5   7.014   3.158 -11.432
   22    HB3  PRO   5           3HB      PRO   5   7.085   1.436 -11.040
   23    HG2  PRO   5           2HG      PRO   5   5.536   3.621  -9.702
   24    HG3  PRO   5           3HG      PRO   5   5.019   1.977 -10.119
   25    HD2  PRO   5           2HD      PRO   5   5.772   2.676  -7.614
   26    HD3  PRO   5           3HD      PRO   5   6.046   1.051  -8.275
   27    H    TRP   6           H        TRP   6   6.996   4.739  -8.867
   28    HA   TRP   6           HA       TRP   6   9.106   6.595  -9.755
   29    HB2  TRP   6           2HB      TRP   6   6.912   8.186  -9.705
   30    HB3  TRP   6           3HB      TRP   6   7.485   7.352 -11.147
   31    HD1  TRP   6           HD1      TRP   6   5.969   5.459 -12.143
   32    HE1  TRP   6           HE1      TRP   6   3.603   4.606 -11.593
   33    HE3  TRP   6           HE3      TRP   6   5.283   7.809  -7.654
   34    HZ2  TRP   6           HZ2      TRP   6   1.698   4.893  -9.529
   35    HZ3  TRP   6           HZ3      TRP   6   3.161   7.468  -6.457
   36    HH2  TRP   6           HH2      TRP   6   1.407   6.040  -7.377
   37    H    ASN   7           H        ASN   7   6.695   5.814  -7.325
   38    HA   ASN   7           HA       ASN   7   7.545   8.018  -5.625
   39    HB2  ASN   7           2HB      ASN   7   5.231   6.231  -5.767
   40    HB3  ASN   7           3HB      ASN   7   5.810   6.486  -4.123
   41   HD21  ASN   7          1HD2      ASN   7   3.795   7.558  -3.755
   42   HD22  ASN   7          2HD2      ASN   7   3.590   9.204  -4.238
   43    H    ALA   8           H        ALA   8   9.729   7.272  -5.332
   44    HA   ALA   8           HA       ALA   8  10.176   4.780  -3.935
   45    HB1  ALA   8           1HB      ALA   8  12.231   6.926  -4.350
   46    HB2  ALA   8           2HB      ALA   8  12.464   5.184  -4.199
   47    HB3  ALA   8           3HB      ALA   8  11.734   5.853  -5.659
   48    H    TYR   9           H        TYR   9   9.835   8.156  -3.160
   49    HA   TYR   9           HA       TYR   9  11.067   8.212  -0.648
   50    HB2  TYR   9           2HB      TYR   9   9.360   9.931  -2.202
   51    HB3  TYR   9           3HB      TYR   9   8.829   9.926  -0.524
   52    HD1  TYR   9           HD2      TYR   9  12.220   9.769  -2.091
   53    HD2  TYR   9           HD1      TYR   9   9.571  11.857   0.504
   54    HE1  TYR   9           HE2      TYR   9  14.024  11.340  -1.522
   55    HE2  TYR   9           HE1      TYR   9  11.368  13.434   1.079
   56    HH   TYR   9           HH       TYR   9  14.636  12.882   0.240
   57    H    GLU  10           H        GLU  10   7.987   6.959  -1.672
   58    HA   GLU  10           HA       GLU  10   6.779   6.826   0.899
   59    HB2  GLU  10           2HB      GLU  10   5.857   6.511  -1.628
   60    HB3  GLU  10           3HB      GLU  10   5.977   4.830  -1.127
   61    HG2  GLU  10           2HG      GLU  10   3.758   5.673  -0.705
   62    HG3  GLU  10           3HG      GLU  10   4.572   5.314   0.817
   63    H    CYS  11           H        CYS  11   8.077   4.223  -1.171
   64    HA   CYS  11           HA       CYS  11   8.034   2.257   0.845
   65    HB2  CYS  11           2HB      CYS  11   8.276   2.041  -1.751
   66    HB3  CYS  11           3HB      CYS  11  10.000   2.166  -1.419
   67    H    ASP  12           H        ASP  12  10.375   4.688  -0.023
   68    HA   ASP  12           HA       ASP  12  12.565   3.562   1.415
   69    HB2  ASP  12           2HB      ASP  12  13.075   5.107  -0.334
   70    HB3  ASP  12           3HB      ASP  12  12.022   6.338   0.360
   71    H    ARG  13           H        ARG  13  10.634   6.488   2.091
   72    HA   ARG  13           HA       ARG  13  11.541   6.867   4.698
   73    HB2  ARG  13           2HB      ARG  13   8.907   7.625   3.427
   74    HB3  ARG  13           3HB      ARG  13   9.432   8.192   5.006
   75    HG2  ARG  13           2HG      ARG  13  11.507   8.689   3.119
   76    HG3  ARG  13           3HG      ARG  13   9.983   9.303   2.476
   77    HD2  ARG  13           2HD      ARG  13  10.696   9.868   5.316
   78    HD3  ARG  13           3HD      ARG  13  11.487  10.787   4.035
   79    HE   ARG  13           HE       ARG  13   8.766  10.863   3.516
   80   HH11  ARG  13          1HH1      ARG  13  10.946  11.913   6.019
   81   HH12  ARG  13          2HH1      ARG  13   9.969  13.266   6.483
   82   HH21  ARG  13          1HH2      ARG  13   7.470  12.641   4.119
   83   HH22  ARG  13          2HH2      ARG  13   7.991  13.678   5.402
   84    H    HIS  14           H        HIS  14   9.264   4.607   3.430
   85    HA   HIS  14           HA       HIS  14   7.698   4.074   5.677
   86    HB2  HIS  14           2HB      HIS  14   7.121   3.151   3.519
   87    HB3  HIS  14           3HB      HIS  14   8.618   2.226   3.468
   88    HD1  HIS  14           HD1      HIS  14   5.205   2.236   4.977
   89    HD2  HIS  14           HD2      HIS  14   8.624  -0.125   5.000
   90    HE1  HIS  14           HE1      HIS  14   4.512   0.059   6.030
   91    H    CYS  15           H        CYS  15  10.837   2.751   4.709
   92    HA   CYS  15           HA       CYS  15  10.985   1.161   7.144
   93    HB2  CYS  15           2HB      CYS  15  12.970   1.459   4.879
   94    HB3  CYS  15           3HB      CYS  15  13.088   0.305   6.203
   95    H    VAL  16           H        VAL  16  12.431   4.019   5.702
   96    HA   VAL  16           HA       VAL  16  14.598   4.444   7.353
   97    HB   VAL  16           HB       VAL  16  12.712   6.547   6.280
   98   HG11  VAL  16          1HG1      VAL  16  14.712   8.023   6.429
   99   HG12  VAL  16          2HG1      VAL  16  14.090   7.501   7.996
  100   HG13  VAL  16          3HG1      VAL  16  15.533   6.744   7.323
  101   HG21  VAL  16          3HG2      VAL  16  15.149   6.381   4.834
  102   HG22  VAL  16          1HG2      VAL  16  14.473   4.756   4.952
  103   HG23  VAL  16          2HG2      VAL  16  13.510   6.065   4.264
  104    H    SER  17           H        SER  17  11.202   4.843   8.043
  105    HA   SER  17           HA       SER  17  11.564   6.374  10.433
  106    HB2  SER  17           2HB      SER  17   9.462   6.420   9.114
  107    HB3  SER  17           3HB      SER  17   9.168   4.739   9.560
  108    HG   SER  17           HG       SER  17   8.186   5.615  11.204
  109    H    LYS  18           H        LYS  18  11.238   2.962   9.663
  110    HA   LYS  18           HA       LYS  18  10.961   2.076  12.357
  111    HB2  LYS  18           2HB      LYS  18  11.514   0.761   9.729
  112    HB3  LYS  18           3HB      LYS  18  11.797  -0.146  11.209
  113    HG2  LYS  18           2HG      LYS  18   9.653  -0.745  10.954
  114    HG3  LYS  18           3HG      LYS  18   9.324   0.823  11.694
  115    HD2  LYS  18           2HD      LYS  18   8.329   1.546   9.840
  116    HD3  LYS  18           3HD      LYS  18   9.743   1.132   8.868
  117    HE2  LYS  18           2HE      LYS  18   8.264  -0.277   7.887
  118    HE3  LYS  18           3HE      LYS  18   8.742  -1.320   9.226
  119    HZ1  LYS  18           3HZ      LYS  18   6.381  -1.308   9.099
  120    HZ2  LYS  18           1HZ      LYS  18   6.318   0.382   9.061
  121    HZ3  LYS  18           2HZ      LYS  18   6.810  -0.414  10.469
  122    H    GLY  19           H        GLY  19  13.685   2.584  10.187
  123    HA2  GLY  19           2HA      GLY  19  15.668   3.265  11.750
  124    HA3  GLY  19           3HA      GLY  19  15.535   1.579  12.229
  125    H    TYR  20           H        TYR  20  14.911   0.518   9.664
  126    HA   TYR  20           HA       TYR  20  17.422  -0.059   8.672
  127    HB2  TYR  20           2HB      TYR  20  14.847  -0.057   7.086
  128    HB3  TYR  20           3HB      TYR  20  16.302  -0.975   6.714
  129    HD1  TYR  20           HD2      TYR  20  17.093  -2.640   8.569
  130    HD2  TYR  20           HD1      TYR  20  13.150  -1.063   8.305
  131    HE1  TYR  20           HE2      TYR  20  16.257  -4.519   9.919
  132    HE2  TYR  20           HE1      TYR  20  12.304  -2.936   9.655
  133    HH   TYR  20           HH       TYR  20  12.856  -4.710  10.895
  134    H    THR  21           H        THR  21  18.340   0.457   6.536
  135    HA   THR  21           HA       THR  21  18.857   3.169   6.229
  136    HB   THR  21           HB       THR  21  20.277   1.331   5.318
  137    HG1  THR  21           HG1      THR  21  19.636   3.039   3.169
  138   HG21  THR  21          3HG2      THR  21  19.752   0.309   3.210
  139   HG22  THR  21          1HG2      THR  21  18.294   1.286   3.043
  140   HG23  THR  21          2HG2      THR  21  18.389   0.050   4.298
  141    H    GLY  22           H        GLY  22  16.333   1.186   4.839
  142    HA2  GLY  22           2HA      GLY  22  14.376   2.849   4.356
  143    HA3  GLY  22           3HA      GLY  22  15.482   3.390   3.101
  144    H    GLY  23           H        GLY  23  12.816   2.222   2.832
  145    HA2  GLY  23           2HA      GLY  23  13.306  -0.428   1.722
  146    HA3  GLY  23           3HA      GLY  23  11.747   0.369   1.869
  147    H    ASN  24           H        ASN  24  13.994  -0.677  -0.289
  148    HA   ASN  24           HA       ASN  24  13.134   1.286  -2.313
  149    HB2  ASN  24           2HB      ASN  24  15.636  -0.324  -2.653
  150    HB3  ASN  24           3HB      ASN  24  15.223   1.252  -3.323
  151   HD21  ASN  24          1HD2      ASN  24  14.494   2.666  -1.135
  152   HD22  ASN  24          2HD2      ASN  24  15.833   2.830  -0.055
  153    H    CYS  25           H        CYS  25  12.642   0.510  -4.393
  154    HA   CYS  25           HA       CYS  25  11.895  -2.330  -4.435
  155    HB2  CYS  25           2HB      CYS  25  10.909  -0.021  -6.123
  156    HB3  CYS  25           3HB      CYS  25  10.357  -1.687  -6.267
  157    H    ARG  26           H        ARG  26  12.342  -3.628  -6.245
  158    HA   ARG  26           HA       ARG  26  14.054  -2.578  -8.341
  159    HB2  ARG  26           2HB      ARG  26  14.975  -4.689  -6.388
  160    HB3  ARG  26           3HB      ARG  26  15.744  -4.409  -7.945
  161    HG2  ARG  26           2HG      ARG  26  15.459  -2.322  -5.795
  162    HG3  ARG  26           3HG      ARG  26  16.893  -3.322  -6.038
  163    HD2  ARG  26           2HD      ARG  26  16.666  -2.405  -8.509
  164    HD3  ARG  26           3HD      ARG  26  15.819  -1.094  -7.689
  165    HE   ARG  26           HE       ARG  26  18.639  -1.658  -7.609
  166   HH11  ARG  26          1HH1      ARG  26  15.970  -0.129  -5.979
  167   HH12  ARG  26          2HH1      ARG  26  16.970   0.990  -5.114
  168   HH21  ARG  26          1HH2      ARG  26  19.966  -0.190  -6.476
  169   HH22  ARG  26          2HH2      ARG  26  19.243   0.955  -5.398
  170    H    GLY  27           H        GLY  27  14.765  -4.594  -9.772
  171    HA2  GLY  27           2HA      GLY  27  12.256  -5.943 -10.425
  172    HA3  GLY  27           3HA      GLY  27  13.675  -5.831 -11.456
  173    H    LYS  28           H        LYS  28  13.574  -6.895  -8.090
  174    HA   LYS  28           HA       LYS  28  15.242  -9.071  -8.402
  175    HB2  LYS  28           2HB      LYS  28  14.075  -9.956  -6.305
  176    HB3  LYS  28           3HB      LYS  28  14.822  -8.368  -6.198
  177    HG2  LYS  28           2HG      LYS  28  12.018  -8.308  -7.022
  178    HG3  LYS  28           3HG      LYS  28  12.288  -8.973  -5.409
  179    HD2  LYS  28           2HD      LYS  28  13.740  -6.485  -6.107
  180    HD3  LYS  28           3HD      LYS  28  11.996  -6.357  -5.864
  181    HE2  LYS  28           2HE      LYS  28  12.561  -6.114  -3.701
  182    HE3  LYS  28           3HE      LYS  28  12.695  -7.871  -3.733
  183    HZ1  LYS  28           3HZ      LYS  28  14.709  -7.312  -2.861
  184    HZ2  LYS  28           1HZ      LYS  28  14.811  -5.846  -3.699
  185    HZ3  LYS  28           2HZ      LYS  28  15.116  -7.303  -4.503
  186    H    ILE  29           H        ILE  29  11.826  -8.808  -9.048
  187    HA   ILE  29           HA       ILE  29  11.877 -11.368 -10.402
  188    HB   ILE  29           HB       ILE  29   9.714 -12.058  -9.233
  189   HG12  ILE  29          2HG1      ILE  29  10.772 -10.091  -7.192
  190   HG13  ILE  29          3HG1      ILE  29   9.266  -9.942  -8.091
  191   HG21  ILE  29          1HG2      ILE  29  12.055 -12.137  -7.371
  192   HG22  ILE  29          2HG2      ILE  29  10.878 -13.396  -7.738
  193   HG23  ILE  29          3HG2      ILE  29  12.112 -12.971  -8.924
  194   HD11  ILE  29          3HD1      ILE  29   9.946 -11.700  -5.801
  195   HD12  ILE  29          1HD1      ILE  29   8.491 -10.754  -6.112
  196   HD13  ILE  29          2HD1      ILE  29   8.762 -12.267  -6.978
  197    H    ARG  30           H        ARG  30   9.983  -8.564  -9.371
  198    HA   ARG  30           HA       ARG  30   9.154  -7.905 -11.969
  199    HB2  ARG  30           2HB      ARG  30   6.687  -8.395 -11.654
  200    HB3  ARG  30           3HB      ARG  30   7.714  -9.786 -11.976
  201    HG2  ARG  30           2HG      ARG  30   7.522 -10.594  -9.819
  202    HG3  ARG  30           3HG      ARG  30   7.065  -9.021  -9.163
  203    HD2  ARG  30           2HD      ARG  30   4.889  -9.166 -10.081
  204    HD3  ARG  30           3HD      ARG  30   5.332 -10.539 -11.094
  205    HE   ARG  30           HE       ARG  30   4.911 -11.921  -9.325
  206   HH11  ARG  30          1HH1      ARG  30   5.306  -8.670  -8.145
  207   HH12  ARG  30          2HH1      ARG  30   4.846  -9.064  -6.521
  208   HH21  ARG  30          1HH2      ARG  30   4.304 -12.453  -7.192
  209   HH22  ARG  30          2HH2      ARG  30   4.278 -11.217  -5.980
  210    H    GLN  31           H        GLN  31  10.227  -6.259 -10.294
  211    HA   GLN  31           HA       GLN  31  10.013  -4.237  -9.275
  212    HB2  GLN  31           2HB      GLN  31   7.092  -4.325 -10.018
  213    HB3  GLN  31           3HB      GLN  31   8.090  -2.905  -9.737
  214    HG2  GLN  31           2HG      GLN  31   8.361  -2.802 -11.932
  215    HG3  GLN  31           3HG      GLN  31   9.387  -4.228 -11.785
  216   HE21  GLN  31          1HE2      GLN  31   5.887  -3.650 -11.646
  217   HE22  GLN  31          2HE2      GLN  31   5.471  -4.839 -12.828
  218    H    THR  32           H        THR  32  10.380  -5.446  -7.284
  219    HA   THR  32           HA       THR  32   8.015  -5.380  -5.526
  220    HB   THR  32           HB       THR  32  10.332  -7.304  -5.267
  221    HG1  THR  32           HG1      THR  32   9.203  -8.066  -6.976
  222   HG21  THR  32          3HG2      THR  32   7.835  -6.796  -3.707
  223   HG22  THR  32          1HG2      THR  32   9.469  -7.127  -3.132
  224   HG23  THR  32          2HG2      THR  32   8.485  -8.433  -3.793
  225    H    CYS  33           H        CYS  33   8.341  -4.711  -3.380
  226    HA   CYS  33           HA       CYS  33  10.551  -2.866  -3.059
  227    HB2  CYS  33           2HB      CYS  33   7.888  -3.027  -2.106
  228    HB3  CYS  33           3HB      CYS  33   8.940  -3.091  -0.696
  229    H    HIS  34           H        HIS  34  11.951  -2.851  -1.220
  230    HA   HIS  34           HA       HIS  34  12.091  -5.139   0.512
  231    HB2  HIS  34           2HB      HIS  34  13.153  -5.905  -1.663
  232    HB3  HIS  34           3HB      HIS  34  14.417  -4.714  -1.366
  233    HD1  HIS  34           HD1      HIS  34  16.303  -6.362  -0.990
  234    HD2  HIS  34           HD2      HIS  34  13.038  -7.029   1.490
  235    HE1  HIS  34           HE1      HIS  34  17.078  -8.055   0.701
  236    H    CYS  35           H        CYS  35  13.040  -4.607   2.392
  237    HA   CYS  35           HA       CYS  35  14.274  -1.956   2.569
  238    HB2  CYS  35           2HB      CYS  35  13.023  -3.780   4.618
  239    HB3  CYS  35           3HB      CYS  35  13.964  -2.364   5.076
  240    H    TYR  36           H        TYR  36  16.360  -1.663   3.080
  241    HA   TYR  36           HA       TYR  36  17.954  -4.064   3.687
  242    HB2  TYR  36           2HB      TYR  36  19.003  -1.494   2.505
  243    HB3  TYR  36           3HB      TYR  36  19.804  -3.059   2.569
  244    HD1  TYR  36           HD2      TYR  36  17.121  -1.129   0.935
  245    HD2  TYR  36           HD1      TYR  36  19.383  -4.732   0.917
  246    HE1  TYR  36           HE2      TYR  36  16.239  -1.664  -1.297
  247    HE2  TYR  36           HE1      TYR  36  18.509  -5.277  -1.316
  248    HH   TYR  36           HH       TYR  36  17.535  -3.725  -3.339
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   1.121  -0.827  -6.588
    2    HA2  GLY   1           2HA      GLY   1   0.557  -0.286  -4.024
    3    HA3  GLY   1           3HA      GLY   1   2.216  -0.328  -4.602
    4    H    PHE   2           H        PHE   2   1.350   1.237  -2.432
    5    HA   PHE   2           HA       PHE   2   0.676   3.862  -2.950
    6    HB2  PHE   2           2HB      PHE   2   2.059   4.371  -0.853
    7    HB3  PHE   2           3HB      PHE   2   0.747   3.209  -0.686
    8    HD1  PHE   2           HD1      PHE   2   4.410   3.538  -1.051
    9    HD2  PHE   2           HD2      PHE   2   1.160   0.999   0.000
   10    HE1  PHE   2           HE1      PHE   2   5.996   1.888  -0.149
   11    HE2  PHE   2           HE2      PHE   2   2.740  -0.655   0.904
   12    HZ   PHE   2           HZ       PHE   2   5.162  -0.212   0.831
   13    H    GLY   3           H        GLY   3   3.725   2.235  -3.427
   14    HA2  GLY   3           2HA      GLY   3   4.713   4.169  -5.203
   15    HA3  GLY   3           3HA      GLY   3   5.412   4.478  -3.620
   16    H    CYS   4           H        CYS   4   6.591   3.542  -6.208
   17    HA   CYS   4           HA       CYS   4   8.532   1.821  -5.188
   18    HB2  CYS   4           2HB      CYS   4   6.114   0.478  -6.007
   19    HB3  CYS   4           3HB      CYS   4   7.459  -0.019  -7.028
   20    HA   PRO   5           HA       PRO   5   8.987   1.968  -9.989
   21    HB2  PRO   5           2HB      PRO   5   6.923   3.004 -11.416
   22    HB3  PRO   5           3HB      PRO   5   7.044   1.288 -11.010
   23    HG2  PRO   5           2HG      PRO   5   5.440   3.440  -9.684
   24    HG3  PRO   5           3HG      PRO   5   4.968   1.778 -10.084
   25    HD2  PRO   5           2HD      PRO   5   5.711   2.520  -7.589
   26    HD3  PRO   5           3HD      PRO   5   6.028   0.898  -8.237
   27    H    TRP   6           H        TRP   6   6.882   4.605  -8.844
   28    HA   TRP   6           HA       TRP   6   8.933   6.513  -9.759
   29    HB2  TRP   6           2HB      TRP   6   6.693   8.040  -9.724
   30    HB3  TRP   6           3HB      TRP   6   7.296   7.215 -11.159
   31    HD1  TRP   6           HD1      TRP   6   5.842   5.267 -12.145
   32    HE1  TRP   6           HE1      TRP   6   3.501   4.349 -11.598
   33    HE3  TRP   6           HE3      TRP   6   5.066   7.631  -7.679
   34    HZ2  TRP   6           HZ2      TRP   6   1.579   4.594  -9.546
   35    HZ3  TRP   6           HZ3      TRP   6   2.950   7.236  -6.488
   36    HH2  TRP   6           HH2      TRP   6   1.243   5.749  -7.404
   37    H    ASN   7           H        ASN   7   6.530   5.696  -7.329
   38    HA   ASN   7           HA       ASN   7   7.326   7.932  -5.645
   39    HB2  ASN   7           2HB      ASN   7   5.055   6.081  -5.771
   40    HB3  ASN   7           3HB      ASN   7   5.617   6.394  -4.131
   41   HD21  ASN   7          1HD2      ASN   7   3.552   7.409  -3.828
   42   HD22  ASN   7          2HD2      ASN   7   3.313   9.040  -4.345
   43    H    ALA   8           H        ALA   8   9.529   7.216  -5.357
   44    HA   ALA   8           HA       ALA   8  10.000   4.759  -3.902
   45    HB1  ALA   8           1HB      ALA   8  11.812   5.045  -5.218
   46    HB2  ALA   8           2HB      ALA   8  11.665   6.803  -5.227
   47    HB3  ALA   8           3HB      ALA   8  12.388   5.987  -3.841
   48    H    TYR   9           H        TYR   9   9.525   8.110  -3.204
   49    HA   TYR   9           HA       TYR   9  10.828   8.263  -0.712
   50    HB2  TYR   9           2HB      TYR   9   9.297   9.980  -2.332
   51    HB3  TYR   9           3HB      TYR   9   8.464   9.916  -0.783
   52    HD1  TYR   9           HD1      TYR   9  12.026  10.081  -1.929
   53    HD2  TYR   9           HD2      TYR   9   9.014  11.629   0.647
   54    HE1  TYR   9           HE1      TYR   9  13.650  11.676  -0.998
   55    HE2  TYR   9           HE2      TYR   9  10.629  13.229   1.584
   56    HH   TYR   9           HH       TYR   9  12.742  13.913   1.607
   57    H    GLU  10           H        GLU  10   7.602   7.210  -1.645
   58    HA   GLU  10           HA       GLU  10   6.526   7.038   0.965
   59    HB2  GLU  10           2HB      GLU  10   5.292   7.007  -1.290
   60    HB3  GLU  10           3HB      GLU  10   5.685   5.294  -1.340
   61    HG2  GLU  10           2HG      GLU  10   3.419   5.786  -0.475
   62    HG3  GLU  10           3HG      GLU  10   4.430   4.873   0.644
   63    H    CYS  11           H        CYS  11   7.881   4.543  -1.187
   64    HA   CYS  11           HA       CYS  11   7.707   2.453   0.717
   65    HB2  CYS  11           2HB      CYS  11   8.069   2.421  -1.902
   66    HB3  CYS  11           3HB      CYS  11   9.769   2.403  -1.446
   67    H    ASP  12           H        ASP  12  10.136   4.861  -0.002
   68    HA   ASP  12           HA       ASP  12  12.228   3.633   1.507
   69    HB2  ASP  12           2HB      ASP  12  12.829   5.174  -0.239
   70    HB3  ASP  12           3HB      ASP  12  11.855   6.452   0.485
   71    H    ARG  13           H        ARG  13  10.339   6.602   2.114
   72    HA   ARG  13           HA       ARG  13  11.165   7.062   4.707
   73    HB2  ARG  13           2HB      ARG  13   8.592   7.670   3.276
   74    HB3  ARG  13           3HB      ARG  13   8.819   8.124   4.960
   75    HG2  ARG  13           2HG      ARG  13  10.964   8.916   3.097
   76    HG3  ARG  13           3HG      ARG  13   9.409   9.728   2.901
   77    HD2  ARG  13           2HD      ARG  13   9.525  10.075   5.455
   78    HD3  ARG  13           3HD      ARG  13  11.238   9.695   5.276
   79    HE   ARG  13           HE       ARG  13  10.435  11.702   3.434
   80   HH11  ARG  13          1HH1      ARG  13  11.216  11.170   6.785
   81   HH12  ARG  13          2HH1      ARG  13  11.735  12.801   7.057
   82   HH21  ARG  13          1HH2      ARG  13  11.116  13.851   3.780
   83   HH22  ARG  13          2HH2      ARG  13  11.677  14.325   5.348
   84    H    HIS  14           H        HIS  14   8.864   4.737   3.507
   85    HA   HIS  14           HA       HIS  14   7.464   4.136   5.839
   86    HB2  HIS  14           2HB      HIS  14   6.753   3.232   3.720
   87    HB3  HIS  14           3HB      HIS  14   8.267   2.351   3.535
   88    HD1  HIS  14           HD1      HIS  14   4.965   2.214   5.257
   89    HD2  HIS  14           HD2      HIS  14   8.463  -0.018   5.043
   90    HE1  HIS  14           HE1      HIS  14   4.415   0.000   6.314
   91    H    CYS  15           H        CYS  15  10.574   2.923   4.672
   92    HA   CYS  15           HA       CYS  15  10.894   1.265   7.044
   93    HB2  CYS  15           2HB      CYS  15  11.781   1.046   4.417
   94    HB3  CYS  15           3HB      CYS  15  13.229   1.480   5.319
   95    H    VAL  16           H        VAL  16  12.022   4.284   5.715
   96    HA   VAL  16           HA       VAL  16  14.314   4.719   7.226
   97    HB   VAL  16           HB       VAL  16  12.270   6.763   6.346
   98   HG11  VAL  16          1HG1      VAL  16  13.494   8.067   7.730
   99   HG12  VAL  16          2HG1      VAL  16  14.886   6.982   7.698
  100   HG13  VAL  16          3HG1      VAL  16  14.601   8.093   6.358
  101   HG21  VAL  16          3HG2      VAL  16  14.171   5.167   4.894
  102   HG22  VAL  16          1HG2      VAL  16  12.966   6.302   4.286
  103   HG23  VAL  16          2HG2      VAL  16  14.567   6.879   4.749
  104    H    SER  17           H        SER  17  10.984   4.766   8.169
  105    HA   SER  17           HA       SER  17  11.437   6.235  10.612
  106    HB2  SER  17           2HB      SER  17   9.274   6.503   9.643
  107    HB3  SER  17           3HB      SER  17   9.046   4.760   9.501
  108    HG   SER  17           HG       SER  17   7.960   5.826  11.315
  109    H    LYS  18           H        LYS  18  11.023   2.875   9.639
  110    HA   LYS  18           HA       LYS  18  10.783   1.705  12.162
  111    HB2  LYS  18           2HB      LYS  18  11.640   0.780   9.471
  112    HB3  LYS  18           3HB      LYS  18  12.075  -0.236  10.839
  113    HG2  LYS  18           2HG      LYS  18  10.062  -1.145  10.284
  114    HG3  LYS  18           3HG      LYS  18   9.539   0.067  11.456
  115    HD2  LYS  18           2HD      LYS  18   8.526   1.342   9.882
  116    HD3  LYS  18           3HD      LYS  18   9.734   0.969   8.650
  117    HE2  LYS  18           2HE      LYS  18   8.122  -0.295   7.739
  118    HE3  LYS  18           3HE      LYS  18   8.530  -1.452   9.004
  119    HZ1  LYS  18           3HZ      LYS  18   6.102  -0.143   8.594
  120    HZ2  LYS  18           1HZ      LYS  18   6.738   0.437  10.050
  121    HZ3  LYS  18           2HZ      LYS  18   6.505  -1.224   9.831
  122    H    GLY  19           H        GLY  19  13.675   2.520  10.279
  123    HA2  GLY  19           2HA      GLY  19  15.414   3.344  12.066
  124    HA3  GLY  19           3HA      GLY  19  15.376   1.640  12.494
  125    H    TYR  20           H        TYR  20  14.897   1.090   9.520
  126    HA   TYR  20           HA       TYR  20  17.652   0.658   8.877
  127    HB2  TYR  20           2HB      TYR  20  15.271   0.311   7.050
  128    HB3  TYR  20           3HB      TYR  20  16.845  -0.464   6.912
  129    HD1  TYR  20           HD2      TYR  20  17.476  -2.278   8.448
  130    HD2  TYR  20           HD1      TYR  20  13.603  -0.520   8.570
  131    HE1  TYR  20           HE2      TYR  20  16.657  -4.187   9.766
  132    HE2  TYR  20           HE1      TYR  20  12.774  -2.423   9.889
  133    HH   TYR  20           HH       TYR  20  14.183  -4.246  11.574
  134    H    THR  21           H        THR  21  18.322   1.177   6.498
  135    HA   THR  21           HA       THR  21  18.609   3.976   6.308
  136    HB   THR  21           HB       THR  21  20.234   2.322   5.382
  137    HG1  THR  21           HG1      THR  21  20.866   3.780   3.926
  138   HG21  THR  21          3HG2      THR  21  18.407   2.115   3.004
  139   HG22  THR  21          1HG2      THR  21  18.367   0.931   4.310
  140   HG23  THR  21          2HG2      THR  21  19.844   1.163   3.375
  141    H    GLY  22           H        GLY  22  16.335   1.727   4.896
  142    HA2  GLY  22           2HA      GLY  22  14.218   3.225   4.421
  143    HA3  GLY  22           3HA      GLY  22  15.260   3.789   3.123
  144    H    GLY  23           H        GLY  23  12.689   2.409   2.955
  145    HA2  GLY  23           2HA      GLY  23  13.403  -0.227   1.913
  146    HA3  GLY  23           3HA      GLY  23  11.775   0.396   2.136
  147    H    ASN  24           H        ASN  24  14.031  -0.425  -0.125
  148    HA   ASN  24           HA       ASN  24  12.885   1.410  -2.125
  149    HB2  ASN  24           2HB      ASN  24  15.429  -0.094  -2.612
  150    HB3  ASN  24           3HB      ASN  24  14.899   1.448  -3.279
  151   HD21  ASN  24          1HD2      ASN  24  14.257   2.872  -1.070
  152   HD22  ASN  24          2HD2      ASN  24  15.658   3.120  -0.090
  153    H    CYS  25           H        CYS  25  12.454   0.547  -4.236
  154    HA   CYS  25           HA       CYS  25  11.738  -2.303  -4.140
  155    HB2  CYS  25           2HB      CYS  25  10.652  -0.092  -5.898
  156    HB3  CYS  25           3HB      CYS  25  10.121  -1.770  -5.927
  157    H    ARG  26           H        ARG  26  12.168  -3.656  -5.911
  158    HA   ARG  26           HA       ARG  26  13.804  -2.638  -8.086
  159    HB2  ARG  26           2HB      ARG  26  14.797  -4.729  -6.143
  160    HB3  ARG  26           3HB      ARG  26  15.547  -4.390  -7.697
  161    HG2  ARG  26           2HG      ARG  26  15.213  -2.362  -5.499
  162    HG3  ARG  26           3HG      ARG  26  16.675  -3.312  -5.773
  163    HD2  ARG  26           2HD      ARG  26  16.040  -2.218  -8.258
  164    HD3  ARG  26           3HD      ARG  26  15.755  -0.919  -7.101
  165    HE   ARG  26           HE       ARG  26  18.013  -0.783  -6.751
  166   HH11  ARG  26          1HH1      ARG  26  17.285  -3.782  -8.363
  167   HH12  ARG  26          2HH1      ARG  26  18.946  -4.186  -8.642
  168   HH21  ARG  26          1HH2      ARG  26  20.204  -1.304  -7.111
  169   HH22  ARG  26          2HH2      ARG  26  20.606  -2.777  -7.928
  170    H    GLY  27           H        GLY  27  14.494  -4.668  -9.495
  171    HA2  GLY  27           2HA      GLY  27  11.989  -6.069 -10.040
  172    HA3  GLY  27           3HA      GLY  27  13.374  -5.958 -11.116
  173    H    LYS  28           H        LYS  28  13.384  -6.953  -7.727
  174    HA   LYS  28           HA       LYS  28  15.079  -9.108  -8.042
  175    HB2  LYS  28           2HB      LYS  28  13.985  -9.969  -5.896
  176    HB3  LYS  28           3HB      LYS  28  14.707  -8.366  -5.841
  177    HG2  LYS  28           2HG      LYS  28  11.881  -8.371  -6.589
  178    HG3  LYS  28           3HG      LYS  28  12.206  -8.997  -4.971
  179    HD2  LYS  28           2HD      LYS  28  13.605  -6.505  -5.748
  180    HD3  LYS  28           3HD      LYS  28  11.863  -6.392  -5.484
  181    HE2  LYS  28           2HE      LYS  28  13.201  -5.919  -3.452
  182    HE3  LYS  28           3HE      LYS  28  12.090  -7.274  -3.259
  183    HZ1  LYS  28           3HZ      LYS  28  14.969  -7.575  -3.914
  184    HZ2  LYS  28           1HZ      LYS  28  13.880  -8.806  -3.512
  185    HZ3  LYS  28           2HZ      LYS  28  14.342  -7.672  -2.346
  186    H    ILE  29           H        ILE  29  11.639  -8.915  -8.589
  187    HA   ILE  29           HA       ILE  29  11.696 -11.497  -9.899
  188    HB   ILE  29           HB       ILE  29   9.583 -12.205  -8.652
  189   HG12  ILE  29          2HG1      ILE  29  10.670 -10.185  -6.679
  190   HG13  ILE  29          3HG1      ILE  29   9.134 -10.078  -7.532
  191   HG21  ILE  29          1HG2      ILE  29  10.820 -13.446  -7.086
  192   HG22  ILE  29          2HG2      ILE  29  11.935 -13.144  -8.418
  193   HG23  ILE  29          3HG2      ILE  29  12.050 -12.190  -6.939
  194   HD11  ILE  29          3HD1      ILE  29   8.697 -10.798  -5.313
  195   HD12  ILE  29          1HD1      ILE  29   8.442 -12.177  -6.381
  196   HD13  ILE  29          2HD1      ILE  29   9.918 -12.066  -5.421
  197    H    ARG  30           H        ARG  30   9.782  -8.712  -8.858
  198    HA   ARG  30           HA       ARG  30   8.857  -8.125 -11.444
  199    HB2  ARG  30           2HB      ARG  30   7.526 -10.274 -10.667
  200    HB3  ARG  30           3HB      ARG  30   6.566  -9.090  -9.790
  201    HG2  ARG  30           2HG      ARG  30   5.991  -7.959 -11.822
  202    HG3  ARG  30           3HG      ARG  30   7.097  -8.975 -12.749
  203    HD2  ARG  30           2HD      ARG  30   5.177 -10.106 -13.175
  204    HD3  ARG  30           3HD      ARG  30   5.605 -10.892 -11.656
  205    HE   ARG  30           HE       ARG  30   3.946  -8.558 -11.350
  206   HH11  ARG  30          1HH1      ARG  30   4.006 -12.000 -11.867
  207   HH12  ARG  30          2HH1      ARG  30   2.409 -12.253 -11.244
  208   HH21  ARG  30          1HH2      ARG  30   1.843  -8.878 -10.528
  209   HH22  ARG  30          2HH2      ARG  30   1.179 -10.476 -10.484
  210    H    GLN  31           H        GLN  31   9.967  -6.414  -9.872
  211    HA   GLN  31           HA       GLN  31   9.771  -4.378  -8.880
  212    HB2  GLN  31           2HB      GLN  31   7.219  -4.745 -10.304
  213    HB3  GLN  31           3HB      GLN  31   7.176  -3.561  -9.005
  214    HG2  GLN  31           2HG      GLN  31   8.441  -2.089 -10.126
  215    HG3  GLN  31           3HG      GLN  31   9.481  -3.340 -10.806
  216   HE21  GLN  31          1HE2      GLN  31   7.691  -0.945 -11.762
  217   HE22  GLN  31          2HE2      GLN  31   6.969  -1.583 -13.196
  218    H    THR  32           H        THR  32  10.195  -5.512  -6.864
  219    HA   THR  32           HA       THR  32   7.868  -5.432  -5.056
  220    HB   THR  32           HB       THR  32  10.221  -7.315  -4.805
  221    HG1  THR  32           HG1      THR  32   7.589  -7.695  -5.816
  222   HG21  THR  32          3HG2      THR  32   8.351  -8.401  -3.264
  223   HG22  THR  32          1HG2      THR  32   7.823  -6.723  -3.147
  224   HG23  THR  32          2HG2      THR  32   9.456  -7.171  -2.654
  225    H    CYS  33           H        CYS  33   8.225  -4.683  -2.946
  226    HA   CYS  33           HA       CYS  33  10.425  -2.811  -2.723
  227    HB2  CYS  33           2HB      CYS  33   7.774  -2.967  -1.716
  228    HB3  CYS  33           3HB      CYS  33   8.861  -2.940  -0.331
  229    H    HIS  34           H        HIS  34  11.821  -2.709  -0.869
  230    HA   HIS  34           HA       HIS  34  12.006  -4.952   0.917
  231    HB2  HIS  34           2HB      HIS  34  13.089  -5.718  -1.265
  232    HB3  HIS  34           3HB      HIS  34  14.345  -4.528  -0.940
  233    HD1  HIS  34           HD1      HIS  34  12.709  -7.349   1.039
  234    HD2  HIS  34           HD2      HIS  34  16.439  -5.670   0.308
  235    HE1  HIS  34           HE1      HIS  34  14.343  -8.746   2.345
  236    H    CYS  35           H        CYS  35  13.310  -4.544   2.693
  237    HA   CYS  35           HA       CYS  35  14.130  -1.755   2.978
  238    HB2  CYS  35           2HB      CYS  35  13.503  -3.965   4.909
  239    HB3  CYS  35           3HB      CYS  35  14.434  -2.567   5.439
  240    H    TYR  36           H        TYR  36  16.192  -1.107   3.392
  241    HA   TYR  36           HA       TYR  36  18.264  -3.204   3.375
  242    HB2  TYR  36           2HB      TYR  36  18.507  -0.423   2.212
  243    HB3  TYR  36           3HB      TYR  36  19.704  -1.710   2.122
  244    HD1  TYR  36           HD2      TYR  36  16.341  -0.677   0.974
  245    HD2  TYR  36           HD1      TYR  36  19.597  -3.360   0.427
  246    HE1  TYR  36           HE2      TYR  36  15.346  -1.444  -1.141
  247    HE2  TYR  36           HE1      TYR  36  18.612  -4.134  -1.690
  248    HH   TYR  36           HH       TYR  36  16.812  -4.065  -3.017
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   0.595  -1.299   0.040
    2    HA2  GLY   1           2HA      GLY   1   2.766  -0.324  -1.386
    3    HA3  GLY   1           3HA      GLY   1   1.481  -1.302  -2.078
    4    H    PHE   2           H        PHE   2   2.536   1.986  -1.411
    5    HA   PHE   2           HA       PHE   2   0.829   2.893  -3.628
    6    HB2  PHE   2           2HB      PHE   2   1.346   4.454  -1.089
    7    HB3  PHE   2           3HB      PHE   2   0.343   4.961  -2.444
    8    HD1  PHE   2           HD2      PHE   2   0.580   2.773   0.473
    9    HD2  PHE   2           HD1      PHE   2  -1.856   4.026  -2.785
   10    HE1  PHE   2           HE2      PHE   2  -1.374   1.721   1.534
   11    HE2  PHE   2           HE1      PHE   2  -3.814   2.975  -1.729
   12    HZ   PHE   2           HZ       PHE   2  -3.575   1.820   0.432
   13    H    GLY   3           H        GLY   3   3.494   2.125  -3.900
   14    HA2  GLY   3           2HA      GLY   3   4.619   4.176  -5.341
   15    HA3  GLY   3           3HA      GLY   3   5.253   4.374  -3.715
   16    H    CYS   4           H        CYS   4   6.489   3.580  -6.352
   17    HA   CYS   4           HA       CYS   4   8.427   1.829  -5.380
   18    HB2  CYS   4           2HB      CYS   4   6.038   0.492  -6.196
   19    HB3  CYS   4           3HB      CYS   4   7.314   0.098  -7.343
   20    HA   PRO   5           HA       PRO   5   8.944   2.184 -10.164
   21    HB2  PRO   5           2HB      PRO   5   6.892   3.269 -11.572
   22    HB3  PRO   5           3HB      PRO   5   7.018   1.538 -11.238
   23    HG2  PRO   5           2HG      PRO   5   5.385   3.622  -9.842
   24    HG3  PRO   5           3HG      PRO   5   4.928   1.976 -10.320
   25    HD2  PRO   5           2HD      PRO   5   5.634   2.614  -7.785
   26    HD3  PRO   5           3HD      PRO   5   5.969   1.023  -8.498
   27    H    TRP   6           H        TRP   6   6.798   4.760  -8.954
   28    HA   TRP   6           HA       TRP   6   8.851   6.716  -9.758
   29    HB2  TRP   6           2HB      TRP   6   6.604   8.228  -9.677
   30    HB3  TRP   6           3HB      TRP   6   7.219   7.464 -11.140
   31    HD1  TRP   6           HD1      TRP   6   5.777   5.556 -12.216
   32    HE1  TRP   6           HE1      TRP   6   3.437   4.606 -11.720
   33    HE3  TRP   6           HE3      TRP   6   4.969   7.726  -7.657
   34    HZ2  TRP   6           HZ2      TRP   6   1.504   4.756  -9.668
   35    HZ3  TRP   6           HZ3      TRP   6   2.849   7.272  -6.495
   36    HH2  TRP   6           HH2      TRP   6   1.154   5.818  -7.481
   37    H    ASN   7           H        ASN   7   6.446   5.770  -7.381
   38    HA   ASN   7           HA       ASN   7   7.204   7.943  -5.598
   39    HB2  ASN   7           2HB      ASN   7   4.954   6.083  -5.825
   40    HB3  ASN   7           3HB      ASN   7   5.508   6.302  -4.168
   41   HD21  ASN   7          1HD2      ASN   7   3.411   7.270  -3.844
   42   HD22  ASN   7          2HD2      ASN   7   3.170   8.932  -4.251
   43    H    ALA   8           H        ALA   8   9.411   7.258  -5.312
   44    HA   ALA   8           HA       ALA   8   9.892   4.747  -3.940
   45    HB1  ALA   8           1HB      ALA   8  12.187   5.172  -4.223
   46    HB2  ALA   8           2HB      ALA   8  11.422   5.757  -5.701
   47    HB3  ALA   8           3HB      ALA   8  11.923   6.900  -4.455
   48    H    TYR   9           H        TYR   9   9.572   8.131  -3.192
   49    HA   TYR   9           HA       TYR   9  10.860   8.231  -0.718
   50    HB2  TYR   9           2HB      TYR   9   9.172   9.928  -2.256
   51    HB3  TYR   9           3HB      TYR   9   8.526   9.874  -0.620
   52    HD1  TYR   9           HD1      TYR   9  11.922  10.060  -2.190
   53    HD2  TYR   9           HD2      TYR   9   9.237  11.587   0.737
   54    HE1  TYR   9           HE1      TYR   9  13.635  11.670  -1.468
   55    HE2  TYR   9           HE2      TYR   9  10.942  13.203   1.466
   56    HH   TYR   9           HH       TYR   9  14.205  13.168   0.111
   57    H    GLU  10           H        GLU  10   7.718   6.996  -1.619
   58    HA   GLU  10           HA       GLU  10   6.621   6.836   0.988
   59    HB2  GLU  10           2HB      GLU  10   5.719   6.351  -1.595
   60    HB3  GLU  10           3HB      GLU  10   5.680   4.768  -0.831
   61    HG2  GLU  10           2HG      GLU  10   3.632   5.440  -0.203
   62    HG3  GLU  10           3HG      GLU  10   4.528   6.214   1.103
   63    H    CYS  11           H        CYS  11   7.805   4.196  -1.103
   64    HA   CYS  11           HA       CYS  11   7.872   2.255   0.917
   65    HB2  CYS  11           2HB      CYS  11   8.076   2.061  -1.697
   66    HB3  CYS  11           3HB      CYS  11   9.803   2.157  -1.369
   67    H    ASP  12           H        ASP  12  10.178   4.696  -0.029
   68    HA   ASP  12           HA       ASP  12  12.416   3.609   1.349
   69    HB2  ASP  12           2HB      ASP  12  12.925   5.169  -0.345
   70    HB3  ASP  12           3HB      ASP  12  11.766   6.344   0.271
   71    H    ARG  13           H        ARG  13  10.497   6.518   2.123
   72    HA   ARG  13           HA       ARG  13  11.456   6.856   4.710
   73    HB2  ARG  13           2HB      ARG  13   8.813   7.622   3.472
   74    HB3  ARG  13           3HB      ARG  13   9.291   8.116   5.091
   75    HG2  ARG  13           2HG      ARG  13  11.365   8.717   3.186
   76    HG3  ARG  13           3HG      ARG  13   9.826   9.428   2.696
   77    HD2  ARG  13           2HD      ARG  13   9.614  10.367   4.999
   78    HD3  ARG  13           3HD      ARG  13  11.245   9.785   5.331
   79    HE   ARG  13           HE       ARG  13  11.587  11.276   3.112
   80   HH11  ARG  13          1HH1      ARG  13  10.024  11.895   6.161
   81   HH12  ARG  13          2HH1      ARG  13  10.358  13.595   6.135
   82   HH21  ARG  13          1HH2      ARG  13  12.032  13.512   3.067
   83   HH22  ARG  13          2HH2      ARG  13  11.500  14.514   4.374
   84    H    HIS  14           H        HIS  14   9.145   4.608   3.469
   85    HA   HIS  14           HA       HIS  14   7.643   4.016   5.734
   86    HB2  HIS  14           2HB      HIS  14   7.079   3.103   3.555
   87    HB3  HIS  14           3HB      HIS  14   8.573   2.173   3.523
   88    HD1  HIS  14           HD1      HIS  14   5.128   2.172   4.923
   89    HD2  HIS  14           HD2      HIS  14   8.578  -0.131   5.157
   90    HE1  HIS  14           HE1      HIS  14   4.424   0.015   6.008
   91    H    CYS  15           H        CYS  15  10.788   2.745   4.712
   92    HA   CYS  15           HA       CYS  15  10.999   1.154   7.141
   93    HB2  CYS  15           2HB      CYS  15  12.920   1.481   4.826
   94    HB3  CYS  15           3HB      CYS  15  13.115   0.349   6.160
   95    H    VAL  16           H        VAL  16  12.346   4.052   5.696
   96    HA   VAL  16           HA       VAL  16  14.552   4.509   7.286
   97    HB   VAL  16           HB       VAL  16  12.586   6.595   6.328
   98   HG11  VAL  16          1HG1      VAL  16  15.353   6.741   7.454
   99   HG12  VAL  16          2HG1      VAL  16  14.796   7.955   6.302
  100   HG13  VAL  16          3HG1      VAL  16  13.940   7.726   7.827
  101   HG21  VAL  16          3HG2      VAL  16  14.310   4.847   4.881
  102   HG22  VAL  16          1HG2      VAL  16  13.263   6.126   4.267
  103   HG23  VAL  16          2HG2      VAL  16  14.923   6.494   4.736
  104    H    SER  17           H        SER  17  11.171   4.809   8.087
  105    HA   SER  17           HA       SER  17  11.568   6.317  10.486
  106    HB2  SER  17           2HB      SER  17   9.403   6.610   9.801
  107    HB3  SER  17           3HB      SER  17   9.279   4.980   9.141
  108    HG   SER  17           HG       SER  17   8.004   5.215  11.013
  109    H    LYS  18           H        LYS  18  11.170   2.898   9.707
  110    HA   LYS  18           HA       LYS  18  11.033   1.968  12.376
  111    HB2  LYS  18           2HB      LYS  18  11.642   0.687   9.733
  112    HB3  LYS  18           3HB      LYS  18  11.865  -0.222  11.222
  113    HG2  LYS  18           2HG      LYS  18   9.731  -0.815  10.899
  114    HG3  LYS  18           3HG      LYS  18   9.374   0.765  11.601
  115    HD2  LYS  18           2HD      LYS  18   8.406   1.406   9.706
  116    HD3  LYS  18           3HD      LYS  18   9.902   1.101   8.820
  117    HE2  LYS  18           2HE      LYS  18   7.706  -0.879   9.409
  118    HE3  LYS  18           3HE      LYS  18   8.110  -0.183   7.840
  119    HZ1  LYS  18           3HZ      LYS  18  10.450  -1.279   8.678
  120    HZ2  LYS  18           1HZ      LYS  18   9.375  -1.978   7.575
  121    HZ3  LYS  18           2HZ      LYS  18   9.301  -2.400   9.211
  122    H    GLY  19           H        GLY  19  13.710   2.544  10.156
  123    HA2  GLY  19           2HA      GLY  19  15.688   3.261  11.745
  124    HA3  GLY  19           3HA      GLY  19  15.626   1.547  12.128
  125    H    TYR  20           H        TYR  20  15.016   0.583   9.537
  126    HA   TYR  20           HA       TYR  20  17.541   0.206   8.469
  127    HB2  TYR  20           2HB      TYR  20  14.949   0.094   6.916
  128    HB3  TYR  20           3HB      TYR  20  16.446  -0.749   6.534
  129    HD1  TYR  20           HD2      TYR  20  17.277  -2.510   8.183
  130    HD2  TYR  20           HD1      TYR  20  13.341  -0.897   8.305
  131    HE1  TYR  20           HE2      TYR  20  16.531  -4.444   9.506
  132    HE2  TYR  20           HE1      TYR  20  12.585  -2.827   9.630
  133    HH   TYR  20           HH       TYR  20  13.338  -4.579  10.926
  134    H    THR  21           H        THR  21  18.240   0.809   6.217
  135    HA   THR  21           HA       THR  21  18.578   3.589   6.028
  136    HB   THR  21           HB       THR  21  20.131   1.893   5.049
  137    HG1  THR  21           HG1      THR  21  20.782   3.565   3.943
  138   HG21  THR  21          3HG2      THR  21  18.421   1.796   2.609
  139   HG22  THR  21          1HG2      THR  21  18.055   0.701   3.941
  140   HG23  THR  21          2HG2      THR  21  19.642   0.657   3.175
  141    H    GLY  22           H        GLY  22  16.206   1.429   4.639
  142    HA2  GLY  22           2HA      GLY  22  14.118   2.963   4.224
  143    HA3  GLY  22           3HA      GLY  22  15.150   3.566   2.937
  144    H    GLY  23           H        GLY  23  12.554   2.196   2.785
  145    HA2  GLY  23           2HA      GLY  23  13.173  -0.421   1.685
  146    HA3  GLY  23           3HA      GLY  23  11.578   0.300   1.831
  147    H    ASN  24           H        ASN  24  13.951  -0.601  -0.306
  148    HA   ASN  24           HA       ASN  24  12.954   1.259  -2.363
  149    HB2  ASN  24           2HB      ASN  24  15.511  -0.249  -2.723
  150    HB3  ASN  24           3HB      ASN  24  15.038   1.320  -3.367
  151   HD21  ASN  24          1HD2      ASN  24  14.300   2.704  -1.180
  152   HD22  ASN  24          2HD2      ASN  24  15.637   2.892  -0.102
  153    H    CYS  25           H        CYS  25  12.610   0.416  -4.483
  154    HA   CYS  25           HA       CYS  25  11.833  -2.412  -4.443
  155    HB2  CYS  25           2HB      CYS  25  11.035  -0.175  -6.317
  156    HB3  CYS  25           3HB      CYS  25  10.463  -1.837  -6.431
  157    H    ARG  26           H        ARG  26  12.368  -3.810  -6.160
  158    HA   ARG  26           HA       ARG  26  14.303  -2.906  -8.134
  159    HB2  ARG  26           2HB      ARG  26  14.925  -5.047  -6.093
  160    HB3  ARG  26           3HB      ARG  26  15.869  -4.769  -7.550
  161    HG2  ARG  26           2HG      ARG  26  15.415  -2.694  -5.418
  162    HG3  ARG  26           3HG      ARG  26  16.823  -3.756  -5.490
  163    HD2  ARG  26           2HD      ARG  26  16.731  -2.736  -8.027
  164    HD3  ARG  26           3HD      ARG  26  16.177  -1.372  -7.058
  165    HE   ARG  26           HE       ARG  26  18.827  -2.494  -7.126
  166   HH11  ARG  26          1HH1      ARG  26  16.546  -0.614  -5.287
  167   HH12  ARG  26          2HH1      ARG  26  17.764   0.200  -4.361
  168   HH21  ARG  26          1HH2      ARG  26  20.440  -1.430  -5.914
  169   HH22  ARG  26          2HH2      ARG  26  19.979  -0.264  -4.720
  170    H    GLY  27           H        GLY  27  15.016  -4.975  -9.466
  171    HA2  GLY  27           2HA      GLY  27  12.506  -6.221 -10.294
  172    HA3  GLY  27           3HA      GLY  27  14.004  -6.192 -11.212
  173    H    LYS  28           H        LYS  28  13.619  -7.179  -7.846
  174    HA   LYS  28           HA       LYS  28  15.193  -9.441  -8.008
  175    HB2  LYS  28           2HB      LYS  28  13.853 -10.220  -5.973
  176    HB3  LYS  28           3HB      LYS  28  14.669  -8.667  -5.849
  177    HG2  LYS  28           2HG      LYS  28  11.929  -8.492  -6.854
  178    HG3  LYS  28           3HG      LYS  28  12.063  -9.133  -5.214
  179    HD2  LYS  28           2HD      LYS  28  13.677  -6.734  -5.864
  180    HD3  LYS  28           3HD      LYS  28  11.930  -6.517  -5.739
  181    HE2  LYS  28           2HE      LYS  28  13.166  -6.130  -3.609
  182    HE3  LYS  28           3HE      LYS  28  11.917  -7.370  -3.506
  183    HZ1  LYS  28           3HZ      LYS  28  14.793  -7.959  -3.935
  184    HZ2  LYS  28           1HZ      LYS  28  13.559  -9.070  -3.608
  185    HZ3  LYS  28           2HZ      LYS  28  14.046  -7.972  -2.417
  186    H    ILE  29           H        ILE  29  11.844  -9.024  -8.881
  187    HA   ILE  29           HA       ILE  29  11.850 -11.615 -10.175
  188    HB   ILE  29           HB       ILE  29   9.584 -12.168  -9.139
  189   HG12  ILE  29          2HG1      ILE  29  10.608 -10.208  -7.073
  190   HG13  ILE  29          3HG1      ILE  29   9.172 -10.006  -8.072
  191   HG21  ILE  29          1HG2      ILE  29  11.723 -12.340  -7.071
  192   HG22  ILE  29          2HG2      ILE  29  10.587 -13.570  -7.622
  193   HG23  ILE  29          3HG2      ILE  29  11.966 -13.130  -8.628
  194   HD11  ILE  29          3HD1      ILE  29   8.235 -10.728  -6.127
  195   HD12  ILE  29          1HD1      ILE  29   8.471 -12.270  -6.949
  196   HD13  ILE  29          2HD1      ILE  29   9.612 -11.747  -5.710
  197    H    ARG  30           H        ARG  30  10.040  -8.697  -9.330
  198    HA   ARG  30           HA       ARG  30   9.416  -8.062 -11.991
  199    HB2  ARG  30           2HB      ARG  30   6.910  -8.415 -11.821
  200    HB3  ARG  30           3HB      ARG  30   7.880  -9.863 -12.052
  201    HG2  ARG  30           2HG      ARG  30   7.183 -10.755 -10.137
  202    HG3  ARG  30           3HG      ARG  30   7.451  -9.255  -9.247
  203    HD2  ARG  30           2HD      ARG  30   5.180  -9.112 -11.064
  204    HD3  ARG  30           3HD      ARG  30   5.006 -10.375  -9.846
  205    HE   ARG  30           HE       ARG  30   4.794  -7.582  -9.426
  206   HH11  ARG  30          1HH1      ARG  30   5.965 -10.506  -7.942
  207   HH12  ARG  30          2HH1      ARG  30   5.776  -9.915  -6.325
  208   HH21  ARG  30          1HH2      ARG  30   4.540  -6.793  -7.301
  209   HH22  ARG  30          2HH2      ARG  30   4.964  -7.804  -5.961
  210    H    GLN  31           H        GLN  31  10.467  -6.438 -10.273
  211    HA   GLN  31           HA       GLN  31  10.297  -4.383  -9.312
  212    HB2  GLN  31           2HB      GLN  31   8.702  -4.149 -11.351
  213    HB3  GLN  31           3HB      GLN  31   7.419  -4.233 -10.151
  214    HG2  GLN  31           2HG      GLN  31   7.636  -2.035  -9.964
  215    HG3  GLN  31           3HG      GLN  31   9.137  -2.361  -9.099
  216   HE21  GLN  31          1HE2      GLN  31   7.935  -2.105 -12.429
  217   HE22  GLN  31          2HE2      GLN  31   9.301  -1.240 -13.037
  218    H    THR  32           H        THR  32  10.444  -5.598  -7.284
  219    HA   THR  32           HA       THR  32   7.963  -5.370  -5.707
  220    HB   THR  32           HB       THR  32  10.187  -7.358  -5.215
  221    HG1  THR  32           HG1      THR  32   7.615  -7.733  -6.392
  222   HG21  THR  32          3HG2      THR  32   8.279  -8.403  -3.827
  223   HG22  THR  32          1HG2      THR  32   7.538  -6.805  -3.915
  224   HG23  THR  32          2HG2      THR  32   9.123  -7.002  -3.166
  225    H    CYS  33           H        CYS  33   8.134  -4.609  -3.587
  226    HA   CYS  33           HA       CYS  33  10.383  -2.846  -3.137
  227    HB2  CYS  33           2HB      CYS  33   7.634  -3.017  -2.257
  228    HB3  CYS  33           3HB      CYS  33   8.712  -2.787  -0.884
  229    H    HIS  34           H        HIS  34  11.729  -2.869  -1.307
  230    HA   HIS  34           HA       HIS  34  11.611  -5.027   0.588
  231    HB2  HIS  34           2HB      HIS  34  12.789  -5.802  -1.668
  232    HB3  HIS  34           3HB      HIS  34  14.170  -4.987  -0.941
  233    HD1  HIS  34           HD1      HIS  34  11.562  -7.263   0.643
  234    HD2  HIS  34           HD2      HIS  34  15.672  -6.976   0.103
  235    HE1  HIS  34           HE1      HIS  34  12.544  -9.201   1.910
  236    H    CYS  35           H        CYS  35  12.871  -4.661   2.401
  237    HA   CYS  35           HA       CYS  35  14.076  -1.988   2.532
  238    HB2  CYS  35           2HB      CYS  35  13.000  -3.839   4.660
  239    HB3  CYS  35           3HB      CYS  35  13.919  -2.386   5.039
  240    H    TYR  36           H        TYR  36  16.192  -1.700   2.890
  241    HA   TYR  36           HA       TYR  36  17.853  -3.589   4.216
  242    HB2  TYR  36           2HB      TYR  36  19.189  -4.384   2.414
  243    HB3  TYR  36           3HB      TYR  36  17.515  -4.665   1.950
  244    HD1  TYR  36           HD1      TYR  36  16.432  -2.663   0.567
  245    HD2  TYR  36           HD2      TYR  36  20.602  -3.459   0.843
  246    HE1  TYR  36           HE1      TYR  36  16.800  -1.426  -1.527
  247    HE2  TYR  36           HE2      TYR  36  20.982  -2.224  -1.250
  248    HH   TYR  36           HH       TYR  36  20.039  -1.160  -2.957
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -0.474   3.191  -6.383
    2    HA2  GLY   1           2HA      GLY   1  -0.747   1.707  -4.058
    3    HA3  GLY   1           3HA      GLY   1   0.679   1.689  -5.084
    4    H    PHE   2           H        PHE   2   1.860   1.343  -3.088
    5    HA   PHE   2           HA       PHE   2   2.037   3.661  -1.316
    6    HB2  PHE   2           2HB      PHE   2   3.227   0.888  -1.110
    7    HB3  PHE   2           3HB      PHE   2   3.476   2.165   0.076
    8    HD1  PHE   2           HD2      PHE   2   0.831   3.349   0.320
    9    HD2  PHE   2           HD1      PHE   2   1.964  -0.735  -0.067
   10    HE1  PHE   2           HE2      PHE   2  -1.229   2.671   1.482
   11    HE2  PHE   2           HE1      PHE   2  -0.095  -1.420   1.094
   12    HZ   PHE   2           HZ       PHE   2  -1.694   0.284   1.871
   13    H    GLY   3           H        GLY   3   3.085   3.639  -4.090
   14    HA2  GLY   3           2HA      GLY   3   4.882   4.669  -5.109
   15    HA3  GLY   3           3HA      GLY   3   5.611   4.868  -3.523
   16    H    CYS   4           H        CYS   4   6.658   3.937  -6.196
   17    HA   CYS   4           HA       CYS   4   8.536   2.094  -5.276
   18    HB2  CYS   4           2HB      CYS   4   6.032   0.887  -5.937
   19    HB3  CYS   4           3HB      CYS   4   7.223   0.389  -7.135
   20    HA   PRO   5           HA       PRO   5   8.826   2.305 -10.088
   21    HB2  PRO   5           2HB      PRO   5   6.773   3.480 -11.420
   22    HB3  PRO   5           3HB      PRO   5   6.813   1.752 -11.047
   23    HG2  PRO   5           2HG      PRO   5   5.380   3.964  -9.627
   24    HG3  PRO   5           3HG      PRO   5   4.802   2.339 -10.037
   25    HD2  PRO   5           2HD      PRO   5   5.675   2.992  -7.559
   26    HD3  PRO   5           3HD      PRO   5   5.877   1.367  -8.245
   27    H    TRP   6           H        TRP   6   6.903   5.034  -8.841
   28    HA   TRP   6           HA       TRP   6   9.025   6.842  -9.798
   29    HB2  TRP   6           2HB      TRP   6   6.879   8.490  -9.644
   30    HB3  TRP   6           3HB      TRP   6   7.370   7.656 -11.115
   31    HD1  TRP   6           HD1      TRP   6   5.764   5.814 -12.066
   32    HE1  TRP   6           HE1      TRP   6   3.401   5.020 -11.428
   33    HE3  TRP   6           HE3      TRP   6   5.324   8.136  -7.532
   34    HZ2  TRP   6           HZ2      TRP   6   1.589   5.336  -9.286
   35    HZ3  TRP   6           HZ3      TRP   6   3.244   7.839  -6.252
   36    HH2  TRP   6           HH2      TRP   6   1.416   6.469  -7.113
   37    H    ASN   7           H        ASN   7   6.694   6.101  -7.278
   38    HA   ASN   7           HA       ASN   7   7.673   8.264  -5.595
   39    HB2  ASN   7           2HB      ASN   7   5.306   6.541  -5.658
   40    HB3  ASN   7           3HB      ASN   7   5.958   6.766  -4.037
   41   HD21  ASN   7          1HD2      ASN   7   3.944   7.869  -3.633
   42   HD22  ASN   7          2HD2      ASN   7   3.782   9.532  -4.074
   43    H    ALA   8           H        ALA   8   9.847   7.449  -5.406
   44    HA   ALA   8           HA       ALA   8  10.239   4.950  -3.979
   45    HB1  ALA   8           1HB      ALA   8  11.751   5.603  -5.815
   46    HB2  ALA   8           2HB      ALA   8  12.284   6.985  -4.856
   47    HB3  ALA   8           3HB      ALA   8  12.602   5.345  -4.291
   48    H    TYR   9           H        TYR   9  10.147   8.359  -3.329
   49    HA   TYR   9           HA       TYR   9  11.582   8.397  -0.907
   50    HB2  TYR   9           2HB      TYR   9  10.392  10.292  -2.484
   51    HB3  TYR   9           3HB      TYR   9   9.323  10.271  -1.086
   52    HD1  TYR   9           HD1      TYR   9  10.411  10.540   1.229
   53    HD2  TYR   9           HD2      TYR   9  12.397  11.485  -2.413
   54    HE1  TYR   9           HE1      TYR   9  11.995  11.957   2.467
   55    HE2  TYR   9           HE2      TYR   9  13.987  12.904  -1.185
   56    HH   TYR   9           HH       TYR   9  13.915  13.115   2.344
   57    H    GLU  10           H        GLU  10   8.256   7.607  -1.678
   58    HA   GLU  10           HA       GLU  10   7.274   7.636   0.985
   59    HB2  GLU  10           2HB      GLU  10   5.889   7.727  -1.129
   60    HB3  GLU  10           3HB      GLU  10   6.191   6.004  -1.312
   61    HG2  GLU  10           2HG      GLU  10   4.387   5.647  -0.086
   62    HG3  GLU  10           3HG      GLU  10   5.280   6.280   1.296
   63    H    CYS  11           H        CYS  11   8.281   4.973  -1.155
   64    HA   CYS  11           HA       CYS  11   7.991   2.964   0.832
   65    HB2  CYS  11           2HB      CYS  11   8.211   2.860  -1.830
   66    HB3  CYS  11           3HB      CYS  11   9.896   2.561  -1.419
   67    H    ASP  12           H        ASP  12  10.541   5.154  -0.032
   68    HA   ASP  12           HA       ASP  12  12.627   3.725   1.322
   69    HB2  ASP  12           2HB      ASP  12  13.320   5.149  -0.451
   70    HB3  ASP  12           3HB      ASP  12  12.424   6.517   0.202
   71    H    ARG  13           H        ARG  13  10.922   6.782   2.012
   72    HA   ARG  13           HA       ARG  13  12.011   7.206   4.547
   73    HB2  ARG  13           2HB      ARG  13  10.343   8.845   4.858
   74    HB3  ARG  13           3HB      ARG  13  10.644   8.818   3.126
   75    HG2  ARG  13           2HG      ARG  13   8.393   8.795   3.045
   76    HG3  ARG  13           3HG      ARG  13   8.636   7.058   3.238
   77    HD2  ARG  13           2HD      ARG  13   8.606   7.749   5.810
   78    HD3  ARG  13           3HD      ARG  13   7.628   9.070   5.170
   79    HE   ARG  13           HE       ARG  13   6.860   6.323   5.430
   80   HH11  ARG  13          1HH1      ARG  13   6.343   9.255   3.625
   81   HH12  ARG  13          2HH1      ARG  13   4.739   8.824   3.134
   82   HH21  ARG  13          1HH2      ARG  13   4.749   5.744   4.789
   83   HH22  ARG  13          2HH2      ARG  13   3.833   6.827   3.797
   84    H    HIS  14           H        HIS  14   9.613   4.979   3.488
   85    HA   HIS  14           HA       HIS  14   8.125   4.583   5.810
   86    HB2  HIS  14           2HB      HIS  14   7.498   3.579   3.677
   87    HB3  HIS  14           3HB      HIS  14   8.938   2.565   3.707
   88    HD1  HIS  14           HD1      HIS  14   5.486   2.811   5.026
   89    HD2  HIS  14           HD2      HIS  14   8.839   0.421   5.573
   90    HE1  HIS  14           HE1      HIS  14   4.671   0.786   6.274
   91    H    CYS  15           H        CYS  15  11.192   3.127   4.796
   92    HA   CYS  15           HA       CYS  15  11.396   1.668   7.307
   93    HB2  CYS  15           2HB      CYS  15  13.292   1.788   4.951
   94    HB3  CYS  15           3HB      CYS  15  13.440   0.707   6.333
   95    H    VAL  16           H        VAL  16  12.758   4.462   5.707
   96    HA   VAL  16           HA       VAL  16  15.047   4.920   7.176
   97    HB   VAL  16           HB       VAL  16  13.074   6.992   6.206
   98   HG11  VAL  16          1HG1      VAL  16  14.404   8.263   7.556
   99   HG12  VAL  16          2HG1      VAL  16  15.786   7.175   7.406
  100   HG13  VAL  16          3HG1      VAL  16  15.383   8.278   6.089
  101   HG21  VAL  16          3HG2      VAL  16  13.918   6.779   4.134
  102   HG22  VAL  16          1HG2      VAL  16  15.562   6.533   4.723
  103   HG23  VAL  16          2HG2      VAL  16  14.427   5.184   4.688
  104    H    SER  17           H        SER  17  11.716   5.315   8.124
  105    HA   SER  17           HA       SER  17  12.292   6.866  10.472
  106    HB2  SER  17           2HB      SER  17  10.087   6.822   9.158
  107    HB3  SER  17           3HB      SER  17   9.762   5.299   9.985
  108    HG   SER  17           HG       SER  17  10.417   7.692  11.351
  109    H    LYS  18           H        LYS  18  11.677   3.470   9.750
  110    HA   LYS  18           HA       LYS  18  11.540   2.565  12.422
  111    HB2  LYS  18           2HB      LYS  18  12.014   1.267   9.770
  112    HB3  LYS  18           3HB      LYS  18  12.316   0.343  11.235
  113    HG2  LYS  18           2HG      LYS  18  10.157  -0.226  10.990
  114    HG3  LYS  18           3HG      LYS  18   9.876   1.316  11.802
  115    HD2  LYS  18           2HD      LYS  18   8.954   2.225   9.976
  116    HD3  LYS  18           3HD      LYS  18  10.219   1.591   8.920
  117    HE2  LYS  18           2HE      LYS  18   8.288   0.532   8.161
  118    HE3  LYS  18           3HE      LYS  18   9.036  -0.673   9.208
  119    HZ1  LYS  18           3HZ      LYS  18   6.469   0.242   9.376
  120    HZ2  LYS  18           1HZ      LYS  18   7.258   1.041  10.641
  121    HZ3  LYS  18           2HZ      LYS  18   7.289  -0.647  10.558
  122    H    GLY  19           H        GLY  19  14.222   2.977  10.164
  123    HA2  GLY  19           2HA      GLY  19  16.246   3.636  11.723
  124    HA3  GLY  19           3HA      GLY  19  16.108   1.934  12.140
  125    H    TYR  20           H        TYR  20  15.447   0.922   9.595
  126    HA   TYR  20           HA       TYR  20  17.933   0.414   8.508
  127    HB2  TYR  20           2HB      TYR  20  15.344   0.407   6.949
  128    HB3  TYR  20           3HB      TYR  20  16.787  -0.544   6.617
  129    HD1  TYR  20           HD1      TYR  20  17.462  -2.332   8.278
  130    HD2  TYR  20           HD2      TYR  20  13.677  -0.393   8.406
  131    HE1  TYR  20           HE1      TYR  20  16.576  -4.166   9.657
  132    HE2  TYR  20           HE2      TYR  20  12.781  -2.221   9.787
  133    HH   TYR  20           HH       TYR  20  13.629  -3.962  11.313
  134    H    THR  21           H        THR  21  18.546   0.909   6.162
  135    HA   THR  21           HA       THR  21  19.048   3.680   5.939
  136    HB   THR  21           HB       THR  21  20.519   1.896   4.993
  137    HG1  THR  21           HG1      THR  21  20.242   4.250   4.193
  138   HG21  THR  21          3HG2      THR  21  18.691   1.816   2.620
  139   HG22  THR  21          1HG2      THR  21  18.464   0.695   3.961
  140   HG23  THR  21          2HG2      THR  21  19.984   0.705   3.067
  141    H    GLY  22           H        GLY  22  16.526   1.624   4.707
  142    HA2  GLY  22           2HA      GLY  22  14.528   3.238   4.240
  143    HA3  GLY  22           3HA      GLY  22  15.570   3.744   2.919
  144    H    GLY  23           H        GLY  23  12.895   2.456   2.920
  145    HA2  GLY  23           2HA      GLY  23  13.391  -0.199   1.852
  146    HA3  GLY  23           3HA      GLY  23  11.824   0.573   2.046
  147    H    ASN  24           H        ASN  24  13.988  -0.513  -0.179
  148    HA   ASN  24           HA       ASN  24  12.995   1.355  -2.231
  149    HB2  ASN  24           2HB      ASN  24  15.484  -0.251  -2.657
  150    HB3  ASN  24           3HB      ASN  24  15.030   1.308  -3.339
  151   HD21  ASN  24          1HD2      ASN  24  14.423   2.778  -1.155
  152   HD22  ASN  24          2HD2      ASN  24  15.817   2.967  -0.152
  153    H    CYS  25           H        CYS  25  12.641   0.446  -4.361
  154    HA   CYS  25           HA       CYS  25  11.678  -2.320  -4.187
  155    HB2  CYS  25           2HB      CYS  25  11.023  -0.125  -6.164
  156    HB3  CYS  25           3HB      CYS  25  10.346  -1.750  -6.202
  157    H    ARG  26           H        ARG  26  12.148  -3.842  -5.800
  158    HA   ARG  26           HA       ARG  26  14.100  -3.161  -7.844
  159    HB2  ARG  26           2HB      ARG  26  14.657  -5.212  -5.694
  160    HB3  ARG  26           3HB      ARG  26  15.614  -5.010  -7.155
  161    HG2  ARG  26           2HG      ARG  26  15.211  -2.883  -5.064
  162    HG3  ARG  26           3HG      ARG  26  16.616  -3.945  -5.170
  163    HD2  ARG  26           2HD      ARG  26  16.167  -2.773  -7.726
  164    HD3  ARG  26           3HD      ARG  26  16.150  -1.494  -6.512
  165    HE   ARG  26           HE       ARG  26  18.348  -2.946  -5.873
  166   HH11  ARG  26          1HH1      ARG  26  17.216  -1.450  -8.806
  167   HH12  ARG  26          2HH1      ARG  26  18.807  -1.149  -9.421
  168   HH21  ARG  26          1HH2      ARG  26  20.448  -2.555  -6.673
  169   HH22  ARG  26          2HH2      ARG  26  20.645  -1.779  -8.208
  170    H    GLY  27           H        GLY  27  14.710  -5.350  -9.032
  171    HA2  GLY  27           2HA      GLY  27  12.140  -6.532  -9.761
  172    HA3  GLY  27           3HA      GLY  27  13.634  -6.644 -10.679
  173    H    LYS  28           H        LYS  28  13.171  -7.372  -7.253
  174    HA   LYS  28           HA       LYS  28  14.652  -9.699  -7.224
  175    HB2  LYS  28           2HB      LYS  28  13.236 -10.285  -5.175
  176    HB3  LYS  28           3HB      LYS  28  14.115  -8.762  -5.135
  177    HG2  LYS  28           2HG      LYS  28  11.407  -8.544  -6.215
  178    HG3  LYS  28           3HG      LYS  28  11.479  -9.075  -4.533
  179    HD2  LYS  28           2HD      LYS  28  13.199  -6.789  -5.320
  180    HD3  LYS  28           3HD      LYS  28  11.461  -6.501  -5.223
  181    HE2  LYS  28           2HE      LYS  28  12.537  -5.984  -3.105
  182    HE3  LYS  28           3HE      LYS  28  11.452  -7.362  -2.930
  183    HZ1  LYS  28           3HZ      LYS  28  14.324  -7.771  -3.462
  184    HZ2  LYS  28           1HZ      LYS  28  13.212  -8.831  -2.752
  185    HZ3  LYS  28           2HZ      LYS  28  13.773  -7.490  -1.887
  186    H    ILE  29           H        ILE  29  11.320  -9.222  -8.159
  187    HA   ILE  29           HA       ILE  29  11.257 -11.877  -9.313
  188    HB   ILE  29           HB       ILE  29   8.972 -12.310  -8.259
  189   HG12  ILE  29          2HG1      ILE  29  10.045 -10.274  -6.294
  190   HG13  ILE  29          3HG1      ILE  29   8.621 -10.082  -7.311
  191   HG21  ILE  29          1HG2      ILE  29   9.926 -13.507  -6.443
  192   HG22  ILE  29          2HG2      ILE  29  11.127 -13.490  -7.733
  193   HG23  ILE  29          3HG2      ILE  29  11.299 -12.405  -6.354
  194   HD11  ILE  29          3HD1      ILE  29   9.004 -11.752  -4.878
  195   HD12  ILE  29          1HD1      ILE  29   7.687 -10.659  -5.302
  196   HD13  ILE  29          2HD1      ILE  29   7.814 -12.235  -6.086
  197    H    ARG  30           H        ARG  30   9.530  -8.868  -8.634
  198    HA   ARG  30           HA       ARG  30   8.919  -8.386 -11.338
  199    HB2  ARG  30           2HB      ARG  30   7.304 -10.321 -10.575
  200    HB3  ARG  30           3HB      ARG  30   6.409  -9.001  -9.835
  201    HG2  ARG  30           2HG      ARG  30   5.385  -9.135 -11.874
  202    HG3  ARG  30           3HG      ARG  30   6.623  -7.922 -12.207
  203    HD2  ARG  30           2HD      ARG  30   7.764  -9.282 -13.598
  204    HD3  ARG  30           3HD      ARG  30   7.451 -10.714 -12.619
  205    HE   ARG  30           HE       ARG  30   5.977  -9.846 -14.897
  206   HH11  ARG  30          1HH1      ARG  30   5.686 -11.477 -11.835
  207   HH12  ARG  30          2HH1      ARG  30   4.298 -12.399 -12.310
  208   HH21  ARG  30          1HH2      ARG  30   4.150 -11.053 -15.534
  209   HH22  ARG  30          2HH2      ARG  30   3.425 -12.157 -14.414
  210    H    GLN  31           H        GLN  31  10.068  -6.702  -9.732
  211    HA   GLN  31           HA       GLN  31  10.008  -4.583  -8.908
  212    HB2  GLN  31           2HB      GLN  31   7.622  -4.779 -10.606
  213    HB3  GLN  31           3HB      GLN  31   7.516  -3.536  -9.367
  214    HG2  GLN  31           2HG      GLN  31   9.574  -2.531 -10.168
  215    HG3  GLN  31           3HG      GLN  31   9.737  -3.800 -11.381
  216   HE21  GLN  31          1HE2      GLN  31   9.727  -2.275 -13.044
  217   HE22  GLN  31          2HE2      GLN  31   8.275  -1.482 -13.544
  218    H    THR  32           H        THR  32  10.112  -5.521  -6.779
  219    HA   THR  32           HA       THR  32   7.640  -5.067  -5.244
  220    HB   THR  32           HB       THR  32   9.688  -7.199  -4.614
  221    HG1  THR  32           HG1      THR  32   7.176  -7.323  -5.939
  222   HG21  THR  32          3HG2      THR  32   7.229  -6.189  -3.291
  223   HG22  THR  32          1HG2      THR  32   8.710  -6.835  -2.584
  224   HG23  THR  32          2HG2      THR  32   7.507  -7.930  -3.265
  225    H    CYS  33           H        CYS  33   7.890  -4.235  -3.144
  226    HA   CYS  33           HA       CYS  33  10.272  -2.621  -2.810
  227    HB2  CYS  33           2HB      CYS  33   7.543  -2.411  -2.048
  228    HB3  CYS  33           3HB      CYS  33   8.502  -2.418  -0.571
  229    H    HIS  34           H        HIS  34  11.606  -2.632  -0.961
  230    HA   HIS  34           HA       HIS  34  11.332  -4.674   1.042
  231    HB2  HIS  34           2HB      HIS  34  12.419  -5.698  -1.129
  232    HB3  HIS  34           3HB      HIS  34  13.865  -4.886  -0.536
  233    HD1  HIS  34           HD1      HIS  34  11.216  -7.064   1.134
  234    HD2  HIS  34           HD2      HIS  34  15.341  -6.659   0.850
  235    HE1  HIS  34           HE1      HIS  34  12.172  -8.877   2.592
  236    H    CYS  35           H        CYS  35  12.845  -4.450   2.764
  237    HA   CYS  35           HA       CYS  35  14.090  -1.790   2.828
  238    HB2  CYS  35           2HB      CYS  35  13.072  -3.608   5.008
  239    HB3  CYS  35           3HB      CYS  35  14.087  -2.211   5.348
  240    H    TYR  36           H        TYR  36  16.231  -1.588   2.921
  241    HA   TYR  36           HA       TYR  36  17.945  -3.441   4.227
  242    HB2  TYR  36           2HB      TYR  36  19.085  -4.417   2.380
  243    HB3  TYR  36           3HB      TYR  36  17.367  -4.661   2.083
  244    HD1  TYR  36           HD2      TYR  36  16.281  -2.563   0.733
  245    HD2  TYR  36           HD1      TYR  36  20.343  -3.816   0.553
  246    HE1  TYR  36           HE2      TYR  36  16.507  -1.494  -1.471
  247    HE2  TYR  36           HE1      TYR  36  20.581  -2.749  -1.651
  248    HH   TYR  36           HH       TYR  36  18.505  -0.519  -2.846
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -0.501  -1.922  -2.497
    2    HA2  GLY   1           2HA      GLY   1   1.820  -0.556  -1.301
    3    HA3  GLY   1           3HA      GLY   1   1.999  -1.446  -2.805
    4    H    PHE   2           H        PHE   2   2.200   1.489  -1.986
    5    HA   PHE   2           HA       PHE   2   0.757   2.498  -4.317
    6    HB2  PHE   2           2HB      PHE   2   0.648   3.966  -1.682
    7    HB3  PHE   2           3HB      PHE   2  -0.241   4.329  -3.157
    8    HD1  PHE   2           HD2      PHE   2   0.015   2.052  -0.288
    9    HD2  PHE   2           HD1      PHE   2  -2.253   3.175  -3.709
   10    HE1  PHE   2           HE2      PHE   2  -1.868   0.690   0.518
   11    HE2  PHE   2           HE1      PHE   2  -4.141   1.815  -2.909
   12    HZ   PHE   2           HZ       PHE   2  -3.949   0.569  -0.793
   13    H    GLY   3           H        GLY   3   3.201   2.186  -4.789
   14    HA2  GLY   3           2HA      GLY   3   4.457   4.373  -5.547
   15    HA3  GLY   3           3HA      GLY   3   4.809   4.432  -3.826
   16    H    CYS   4           H        CYS   4   6.495   4.023  -6.307
   17    HA   CYS   4           HA       CYS   4   8.425   2.341  -5.208
   18    HB2  CYS   4           2HB      CYS   4   6.319   0.929  -6.582
   19    HB3  CYS   4           3HB      CYS   4   7.850   0.698  -7.420
   20    HA   PRO   5           HA       PRO   5   9.592   3.212  -9.808
   21    HB2  PRO   5           2HB      PRO   5   7.674   4.271 -11.412
   22    HB3  PRO   5           3HB      PRO   5   7.909   2.530 -11.216
   23    HG2  PRO   5           2HG      PRO   5   5.907   4.330  -9.907
   24    HG3  PRO   5           3HG      PRO   5   5.677   2.711 -10.592
   25    HD2  PRO   5           2HD      PRO   5   5.949   3.143  -7.933
   26    HD3  PRO   5           3HD      PRO   5   6.527   1.663  -8.724
   27    H    TRP   6           H        TRP   6   7.060   5.482  -8.737
   28    HA   TRP   6           HA       TRP   6   9.021   7.662  -9.039
   29    HB2  TRP   6           2HB      TRP   6   6.661   8.982  -9.167
   30    HB3  TRP   6           3HB      TRP   6   7.538   8.408 -10.583
   31    HD1  TRP   6           HD1      TRP   6   6.428   6.517 -12.018
   32    HE1  TRP   6           HE1      TRP   6   4.136   5.348 -11.949
   33    HE3  TRP   6           HE3      TRP   6   4.818   8.157  -7.451
   34    HZ2  TRP   6           HZ2      TRP   6   1.937   5.148 -10.191
   35    HZ3  TRP   6           HZ3      TRP   6   2.608   7.431  -6.649
   36    HH2  TRP   6           HH2      TRP   6   1.199   5.958  -7.993
   37    H    ASN   7           H        ASN   7   6.432   6.270  -7.129
   38    HA   ASN   7           HA       ASN   7   6.716   8.315  -5.073
   39    HB2  ASN   7           2HB      ASN   7   4.695   6.333  -5.805
   40    HB3  ASN   7           3HB      ASN   7   4.994   6.397  -4.071
   41   HD21  ASN   7          1HD2      ASN   7   2.835   7.188  -3.880
   42   HD22  ASN   7          2HD2      ASN   7   2.491   8.856  -4.172
   43    H    ALA   8           H        ALA   8   8.835   6.298  -5.755
   44    HA   ALA   8           HA       ALA   8   9.113   4.285  -3.896
   45    HB1  ALA   8           1HB      ALA   8  11.291   4.139  -4.554
   46    HB2  ALA   8           2HB      ALA   8  10.656   5.126  -5.872
   47    HB3  ALA   8           3HB      ALA   8  11.530   5.887  -4.542
   48    H    TYR   9           H        TYR   9   9.557   7.732  -3.478
   49    HA   TYR   9           HA       TYR   9  11.009   7.816  -1.124
   50    HB2  TYR   9           2HB      TYR   9   9.705   9.665  -2.706
   51    HB3  TYR   9           3HB      TYR   9   8.826   9.763  -1.184
   52    HD1  TYR   9           HD2      TYR   9  12.222   9.974  -2.667
   53    HD2  TYR   9           HD1      TYR   9   9.735  10.910   0.656
   54    HE1  TYR   9           HE2      TYR   9  14.007  11.387  -1.736
   55    HE2  TYR   9           HE1      TYR   9  11.513  12.327   1.595
   56    HH   TYR   9           HH       TYR   9  14.653  12.205   0.649
   57    H    GLU  10           H        GLU  10   7.691   6.922  -1.649
   58    HA   GLU  10           HA       GLU  10   6.790   7.202   1.027
   59    HB2  GLU  10           2HB      GLU  10   5.154   7.099  -0.712
   60    HB3  GLU  10           3HB      GLU  10   5.782   5.565  -1.298
   61    HG2  GLU  10           2HG      GLU  10   3.627   5.499   0.028
   62    HG3  GLU  10           3HG      GLU  10   4.898   4.377   0.511
   63    H    CYS  11           H        CYS  11   7.859   4.366  -0.844
   64    HA   CYS  11           HA       CYS  11   7.704   2.571   1.351
   65    HB2  CYS  11           2HB      CYS  11   7.855   2.178  -1.278
   66    HB3  CYS  11           3HB      CYS  11   9.570   2.031  -0.909
   67    H    ASP  12           H        ASP  12  10.094   4.814   0.255
   68    HA   ASP  12           HA       ASP  12  12.340   3.636   1.551
   69    HB2  ASP  12           2HB      ASP  12  12.880   5.131  -0.179
   70    HB3  ASP  12           3HB      ASP  12  11.770   6.362   0.417
   71    H    ARG  13           H        ARG  13  10.418   6.532   2.364
   72    HA   ARG  13           HA       ARG  13  11.553   6.984   4.872
   73    HB2  ARG  13           2HB      ARG  13   8.820   7.652   3.781
   74    HB3  ARG  13           3HB      ARG  13   9.380   8.198   5.355
   75    HG2  ARG  13           2HG      ARG  13  11.413   8.894   3.580
   76    HG3  ARG  13           3HG      ARG  13   9.907   9.281   2.745
   77    HD2  ARG  13           2HD      ARG  13   9.318  10.880   4.259
   78    HD3  ARG  13           3HD      ARG  13  10.136  10.069   5.594
   79    HE   ARG  13           HE       ARG  13  12.122  10.939   3.886
   80   HH11  ARG  13          1HH1      ARG  13   9.575  12.372   5.778
   81   HH12  ARG  13          2HH1      ARG  13  10.424  13.860   6.033
   82   HH21  ARG  13          1HH2      ARG  13  13.250  12.895   4.215
   83   HH22  ARG  13          2HH2      ARG  13  12.514  14.157   5.143
   84    H    HIS  14           H        HIS  14   9.271   4.617   3.843
   85    HA   HIS  14           HA       HIS  14   7.914   4.063   6.214
   86    HB2  HIS  14           2HB      HIS  14   7.278   3.078   4.066
   87    HB3  HIS  14           3HB      HIS  14   8.770   2.143   4.037
   88    HD1  HIS  14           HD1      HIS  14   5.331   2.129   5.359
   89    HD2  HIS  14           HD2      HIS  14   8.858   0.018   5.962
   90    HE1  HIS  14           HE1      HIS  14   4.667   0.056   6.617
   91    H    CYS  15           H        CYS  15  11.031   2.861   5.037
   92    HA   CYS  15           HA       CYS  15  11.439   1.342   7.487
   93    HB2  CYS  15           2HB      CYS  15  13.218   1.672   5.061
   94    HB3  CYS  15           3HB      CYS  15  13.512   0.571   6.403
   95    H    VAL  16           H        VAL  16  12.582   4.252   5.904
   96    HA   VAL  16           HA       VAL  16  14.869   4.823   7.336
   97    HB   VAL  16           HB       VAL  16  12.762   6.799   6.449
   98   HG11  VAL  16          1HG1      VAL  16  15.634   7.149   7.278
   99   HG12  VAL  16          2HG1      VAL  16  14.738   8.361   6.361
  100   HG13  VAL  16          3HG1      VAL  16  14.201   7.902   7.977
  101   HG21  VAL  16          3HG2      VAL  16  14.274   5.076   4.898
  102   HG22  VAL  16          1HG2      VAL  16  13.475   6.550   4.350
  103   HG23  VAL  16          2HG2      VAL  16  15.169   6.595   4.839
  104    H    SER  17           H        SER  17  11.537   5.017   8.351
  105    HA   SER  17           HA       SER  17  12.054   6.574  10.703
  106    HB2  SER  17           2HB      SER  17   9.851   6.809  10.023
  107    HB3  SER  17           3HB      SER  17   9.693   5.107   9.590
  108    HG   SER  17           HG       SER  17   9.645   6.285  12.159
  109    H    LYS  18           H        LYS  18  11.719   3.149   9.957
  110    HA   LYS  18           HA       LYS  18  11.712   2.225  12.635
  111    HB2  LYS  18           2HB      LYS  18  12.190   0.971   9.961
  112    HB3  LYS  18           3HB      LYS  18  12.597   0.066  11.413
  113    HG2  LYS  18           2HG      LYS  18  10.476  -0.647  11.242
  114    HG3  LYS  18           3HG      LYS  18  10.111   0.881  12.048
  115    HD2  LYS  18           2HD      LYS  18   9.072   1.697  10.243
  116    HD3  LYS  18           3HD      LYS  18  10.359   1.161   9.160
  117    HE2  LYS  18           2HE      LYS  18   8.615  -0.121   8.407
  118    HE3  LYS  18           3HE      LYS  18   9.316  -1.205   9.608
  119    HZ1  LYS  18           3HZ      LYS  18   7.646  -0.086  11.190
  120    HZ2  LYS  18           1HZ      LYS  18   7.078  -1.253  10.104
  121    HZ3  LYS  18           2HZ      LYS  18   6.845   0.390   9.777
  122    H    GLY  19           H        GLY  19  14.276   2.857  10.298
  123    HA2  GLY  19           2HA      GLY  19  16.305   3.650  11.763
  124    HA3  GLY  19           3HA      GLY  19  16.295   1.953  12.218
  125    H    TYR  20           H        TYR  20  15.576   0.898   9.674
  126    HA   TYR  20           HA       TYR  20  18.054   0.482   8.525
  127    HB2  TYR  20           2HB      TYR  20  15.421   0.362   7.045
  128    HB3  TYR  20           3HB      TYR  20  16.895  -0.521   6.662
  129    HD1  TYR  20           HD1      TYR  20  17.749  -2.190   8.434
  130    HD2  TYR  20           HD2      TYR  20  13.801  -0.605   8.413
  131    HE1  TYR  20           HE1      TYR  20  16.996  -4.065   9.836
  132    HE2  TYR  20           HE2      TYR  20  13.037  -2.475   9.817
  133    HH   TYR  20           HH       TYR  20  13.636  -4.647  10.475
  134    H    THR  21           H        THR  21  18.552   0.985   6.140
  135    HA   THR  21           HA       THR  21  18.965   3.769   5.902
  136    HB   THR  21           HB       THR  21  20.444   2.029   4.889
  137    HG1  THR  21           HG1      THR  21  20.338   4.296   4.168
  138   HG21  THR  21          3HG2      THR  21  18.602   0.622   3.978
  139   HG22  THR  21          1HG2      THR  21  19.848   1.003   2.791
  140   HG23  THR  21          2HG2      THR  21  18.309   1.863   2.761
  141    H    GLY  22           H        GLY  22  16.497   1.614   4.684
  142    HA2  GLY  22           2HA      GLY  22  14.409   3.161   4.337
  143    HA3  GLY  22           3HA      GLY  22  15.385   3.733   2.992
  144    H    GLY  23           H        GLY  23  12.766   2.339   3.054
  145    HA2  GLY  23           2HA      GLY  23  13.347  -0.266   1.895
  146    HA3  GLY  23           3HA      GLY  23  11.753   0.409   2.199
  147    H    ASN  24           H        ASN  24  13.862  -0.473  -0.172
  148    HA   ASN  24           HA       ASN  24  12.628   1.376  -2.108
  149    HB2  ASN  24           2HB      ASN  24  15.209  -0.005  -2.720
  150    HB3  ASN  24           3HB      ASN  24  14.601   1.540  -3.306
  151   HD21  ASN  24          1HD2      ASN  24  14.018   2.893  -1.061
  152   HD22  ASN  24          2HD2      ASN  24  15.439   3.139  -0.110
  153    H    CYS  25           H        CYS  25  12.369   0.481  -4.301
  154    HA   CYS  25           HA       CYS  25  11.537  -2.328  -4.149
  155    HB2  CYS  25           2HB      CYS  25  10.820  -0.293  -6.265
  156    HB3  CYS  25           3HB      CYS  25  10.071  -1.864  -6.002
  157    H    ARG  26           H        ARG  26  12.083  -3.814  -5.772
  158    HA   ARG  26           HA       ARG  26  14.019  -3.024  -7.794
  159    HB2  ARG  26           2HB      ARG  26  14.629  -4.935  -5.547
  160    HB3  ARG  26           3HB      ARG  26  15.499  -4.988  -7.074
  161    HG2  ARG  26           2HG      ARG  26  15.322  -2.548  -5.323
  162    HG3  ARG  26           3HG      ARG  26  16.646  -3.714  -5.274
  163    HD2  ARG  26           2HD      ARG  26  15.990  -2.707  -7.951
  164    HD3  ARG  26           3HD      ARG  26  16.592  -1.485  -6.832
  165    HE   ARG  26           HE       ARG  26  18.330  -3.581  -6.579
  166   HH11  ARG  26          1HH1      ARG  26  17.203  -1.600  -9.210
  167   HH12  ARG  26          2HH1      ARG  26  18.675  -1.733 -10.113
  168   HH21  ARG  26          1HH2      ARG  26  20.273  -3.764  -7.759
  169   HH22  ARG  26          2HH2      ARG  26  20.421  -2.966  -9.287
  170    H    GLY  27           H        GLY  27  14.711  -5.143  -9.035
  171    HA2  GLY  27           2HA      GLY  27  12.197  -6.433  -9.778
  172    HA3  GLY  27           3HA      GLY  27  13.687  -6.444 -10.711
  173    H    LYS  28           H        LYS  28  13.352  -7.269  -7.298
  174    HA   LYS  28           HA       LYS  28  14.924  -9.533  -7.370
  175    HB2  LYS  28           2HB      LYS  28  13.603 -10.218  -5.287
  176    HB3  LYS  28           3HB      LYS  28  14.425  -8.664  -5.244
  177    HG2  LYS  28           2HG      LYS  28  11.675  -8.528  -6.225
  178    HG3  LYS  28           3HG      LYS  28  11.826  -9.089  -4.559
  179    HD2  LYS  28           2HD      LYS  28  13.402  -6.707  -5.393
  180    HD3  LYS  28           3HD      LYS  28  11.665  -6.515  -5.148
  181    HE2  LYS  28           2HE      LYS  28  13.518  -7.745  -3.116
  182    HE3  LYS  28           3HE      LYS  28  13.087  -6.036  -3.137
  183    HZ1  LYS  28           3HZ      LYS  28  10.909  -6.491  -2.576
  184    HZ2  LYS  28           1HZ      LYS  28  11.750  -7.641  -1.663
  185    HZ3  LYS  28           2HZ      LYS  28  10.983  -8.098  -3.099
  186    H    ILE  29           H        ILE  29  11.545  -9.175  -8.179
  187    HA   ILE  29           HA       ILE  29  11.548 -11.807  -9.387
  188    HB   ILE  29           HB       ILE  29   9.321 -12.355  -8.264
  189   HG12  ILE  29          2HG1      ILE  29  10.381 -10.317  -6.294
  190   HG13  ILE  29          3HG1      ILE  29   8.915 -10.163  -7.256
  191   HG21  ILE  29          1HG2      ILE  29  11.780 -13.212  -7.774
  192   HG22  ILE  29          2HG2      ILE  29  11.465 -12.452  -6.215
  193   HG23  ILE  29          3HG2      ILE  29  10.402 -13.730  -6.804
  194   HD11  ILE  29          3HD1      ILE  29   8.422 -10.776  -4.957
  195   HD12  ILE  29          1HD1      ILE  29   7.934 -12.048  -6.076
  196   HD13  ILE  29          2HD1      ILE  29   9.408 -12.228  -5.125
  197    H    ARG  30           H        ARG  30   9.726  -8.885  -8.584
  198    HA   ARG  30           HA       ARG  30   9.007  -8.360 -11.248
  199    HB2  ARG  30           2HB      ARG  30   7.509 -10.398 -10.483
  200    HB3  ARG  30           3HB      ARG  30   6.564  -9.131  -9.713
  201    HG2  ARG  30           2HG      ARG  30   5.497  -9.128 -11.693
  202    HG3  ARG  30           3HG      ARG  30   6.826  -8.062 -12.155
  203    HD2  ARG  30           2HD      ARG  30   7.796  -9.623 -13.478
  204    HD3  ARG  30           3HD      ARG  30   7.320 -10.959 -12.431
  205    HE   ARG  30           HE       ARG  30   5.054  -9.861 -13.719
  206   HH11  ARG  30          1HH1      ARG  30   7.857 -11.837 -14.320
  207   HH12  ARG  30          2HH1      ARG  30   7.122 -12.713 -15.622
  208   HH21  ARG  30          1HH2      ARG  30   4.075 -11.008 -15.431
  209   HH22  ARG  30          2HH2      ARG  30   4.971 -12.240 -16.253
  210    H    GLN  31           H        GLN  31  10.110  -6.652  -9.659
  211    HA   GLN  31           HA       GLN  31   9.966  -4.566  -8.764
  212    HB2  GLN  31           2HB      GLN  31   7.509  -4.851 -10.358
  213    HB3  GLN  31           3HB      GLN  31   7.427  -3.623  -9.101
  214    HG2  GLN  31           2HG      GLN  31   9.903  -3.470 -10.587
  215    HG3  GLN  31           3HG      GLN  31   8.493  -3.340 -11.638
  216   HE21  GLN  31          1HE2      GLN  31   8.324  -1.251 -12.088
  217   HE22  GLN  31          2HE2      GLN  31   8.276   0.027 -10.926
  218    H    THR  32           H        THR  32  10.191  -5.616  -6.678
  219    HA   THR  32           HA       THR  32   7.759  -5.323  -5.039
  220    HB   THR  32           HB       THR  32   9.945  -7.360  -4.576
  221    HG1  THR  32           HG1      THR  32   7.284  -7.727  -5.537
  222   HG21  THR  32          3HG2      THR  32   8.153  -8.291  -3.013
  223   HG22  THR  32          1HG2      THR  32   7.365  -6.722  -3.167
  224   HG23  THR  32          2HG2      THR  32   8.990  -6.830  -2.489
  225    H    CYS  33           H        CYS  33   8.025  -4.500  -2.950
  226    HA   CYS  33           HA       CYS  33  10.297  -2.748  -2.646
  227    HB2  CYS  33           2HB      CYS  33   7.609  -2.938  -1.575
  228    HB3  CYS  33           3HB      CYS  33   8.783  -2.643  -0.296
  229    H    HIS  34           H        HIS  34  11.695  -2.701  -0.824
  230    HA   HIS  34           HA       HIS  34  11.725  -4.879   1.050
  231    HB2  HIS  34           2HB      HIS  34  12.768  -5.781  -1.111
  232    HB3  HIS  34           3HB      HIS  34  14.109  -4.687  -0.784
  233    HD1  HIS  34           HD1      HIS  34  12.468  -6.416   2.079
  234    HD2  HIS  34           HD2      HIS  34  15.822  -6.874  -0.329
  235    HE1  HIS  34           HE1      HIS  34  13.893  -8.138   3.231
  236    H    CYS  35           H        CYS  35  13.089  -4.509   2.803
  237    HA   CYS  35           HA       CYS  35  14.112  -1.769   2.964
  238    HB2  CYS  35           2HB      CYS  35  13.307  -3.802   5.033
  239    HB3  CYS  35           3HB      CYS  35  14.254  -2.382   5.465
  240    H    TYR  36           H        TYR  36  16.220  -1.344   2.990
  241    HA   TYR  36           HA       TYR  36  18.087  -3.601   3.192
  242    HB2  TYR  36           2HB      TYR  36  18.618  -0.818   2.137
  243    HB3  TYR  36           3HB      TYR  36  19.685  -2.213   2.016
  244    HD1  TYR  36           HD2      TYR  36  16.465  -0.807   0.853
  245    HD2  TYR  36           HD1      TYR  36  19.446  -3.785   0.260
  246    HE1  TYR  36           HE2      TYR  36  15.441  -1.394  -1.305
  247    HE2  TYR  36           HE1      TYR  36  18.431  -4.380  -1.900
  248    HH   TYR  36           HH       TYR  36  15.375  -3.457  -2.811
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -1.001  -2.034  -4.635
    2    HA2  GLY   1           2HA      GLY   1   1.023  -0.981  -5.099
    3    HA3  GLY   1           3HA      GLY   1   0.159   0.187  -6.088
    4    H    PHE   2           H        PHE   2   2.048   1.272  -4.651
    5    HA   PHE   2           HA       PHE   2   0.763   3.150  -3.029
    6    HB2  PHE   2           2HB      PHE   2   1.945   2.455  -0.838
    7    HB3  PHE   2           3HB      PHE   2   0.466   1.613  -1.288
    8    HD1  PHE   2           HD2      PHE   2   4.125   1.297  -1.976
    9    HD2  PHE   2           HD1      PHE   2   0.481  -0.645  -0.943
   10    HE1  PHE   2           HE2      PHE   2   5.314  -0.853  -1.837
   11    HE2  PHE   2           HE1      PHE   2   1.664  -2.798  -0.801
   12    HZ   PHE   2           HZ       PHE   2   4.083  -2.904  -1.250
   13    H    GLY   3           H        GLY   3   2.727   2.980  -5.123
   14    HA2  GLY   3           2HA      GLY   3   4.433   4.553  -5.585
   15    HA3  GLY   3           3HA      GLY   3   4.797   4.626  -3.867
   16    H    CYS   4           H        CYS   4   6.450   4.112  -6.351
   17    HA   CYS   4           HA       CYS   4   8.319   2.373  -5.236
   18    HB2  CYS   4           2HB      CYS   4   6.152   1.024  -6.580
   19    HB3  CYS   4           3HB      CYS   4   7.668   0.722  -7.421
   20    HA   PRO   5           HA       PRO   5   9.495   3.130  -9.855
   21    HB2  PRO   5           2HB      PRO   5   7.611   4.238 -11.465
   22    HB3  PRO   5           3HB      PRO   5   7.780   2.492 -11.244
   23    HG2  PRO   5           2HG      PRO   5   5.855   4.388  -9.954
   24    HG3  PRO   5           3HG      PRO   5   5.559   2.768 -10.612
   25    HD2  PRO   5           2HD      PRO   5   5.862   3.230  -7.961
   26    HD3  PRO   5           3HD      PRO   5   6.379   1.716  -8.732
   27    H    TRP   6           H        TRP   6   7.059   5.511  -8.805
   28    HA   TRP   6           HA       TRP   6   9.101   7.609  -9.148
   29    HB2  TRP   6           2HB      TRP   6   6.793   9.017  -9.289
   30    HB3  TRP   6           3HB      TRP   6   7.642   8.389 -10.698
   31    HD1  TRP   6           HD1      TRP   6   6.456   6.521 -12.102
   32    HE1  TRP   6           HE1      TRP   6   4.121   5.443 -12.009
   33    HE3  TRP   6           HE3      TRP   6   4.926   8.289  -7.555
   34    HZ2  TRP   6           HZ2      TRP   6   1.921   5.353 -10.242
   35    HZ3  TRP   6           HZ3      TRP   6   2.692   7.660  -6.736
   36    HH2  TRP   6           HH2      TRP   6   1.222   6.223  -8.054
   37    H    ASN   7           H        ASN   7   6.465   6.349  -7.210
   38    HA   ASN   7           HA       ASN   7   6.838   8.411  -5.185
   39    HB2  ASN   7           2HB      ASN   7   4.737   6.499  -5.881
   40    HB3  ASN   7           3HB      ASN   7   5.044   6.581  -4.148
   41   HD21  ASN   7          1HD2      ASN   7   2.907   7.454  -3.987
   42   HD22  ASN   7          2HD2      ASN   7   2.633   9.131  -4.298
   43    H    ALA   8           H        ALA   8   8.868   6.295  -5.846
   44    HA   ALA   8           HA       ALA   8   9.071   4.305  -3.951
   45    HB1  ALA   8           1HB      ALA   8  10.881   5.686  -5.739
   46    HB2  ALA   8           2HB      ALA   8  11.678   5.203  -4.241
   47    HB3  ALA   8           3HB      ALA   8  10.863   3.996  -5.235
   48    H    TYR   9           H        TYR   9   9.667   7.736  -3.601
   49    HA   TYR   9           HA       TYR   9  11.135   7.798  -1.255
   50    HB2  TYR   9           2HB      TYR   9   9.850   9.669  -2.863
   51    HB3  TYR   9           3HB      TYR   9   9.077   9.854  -1.293
   52    HD1  TYR   9           HD2      TYR   9  12.440   9.690  -2.890
   53    HD2  TYR   9           HD1      TYR   9  10.101  11.140   0.355
   54    HE1  TYR   9           HE2      TYR   9  14.356  11.022  -2.111
   55    HE2  TYR   9           HE1      TYR   9  12.009  12.477   1.141
   56    HH   TYR   9           HH       TYR   9  14.463  12.474   0.949
   57    H    GLU  10           H        GLU  10   7.780   7.042  -1.750
   58    HA   GLU  10           HA       GLU  10   6.894   7.422   0.916
   59    HB2  GLU  10           2HB      GLU  10   5.255   7.327  -0.819
   60    HB3  GLU  10           3HB      GLU  10   5.829   5.756  -1.362
   61    HG2  GLU  10           2HG      GLU  10   3.758   5.501  -0.167
   62    HG3  GLU  10           3HG      GLU  10   5.070   4.765   0.752
   63    H    CYS  11           H        CYS  11   7.772   4.464  -0.869
   64    HA   CYS  11           HA       CYS  11   7.559   2.732   1.344
   65    HB2  CYS  11           2HB      CYS  11   7.760   2.257  -1.243
   66    HB3  CYS  11           3HB      CYS  11   9.480   2.161  -0.877
   67    H    ASP  12           H        ASP  12  10.052   4.892   0.303
   68    HA   ASP  12           HA       ASP  12  12.213   3.683   1.706
   69    HB2  ASP  12           2HB      ASP  12  12.754   5.172  -0.080
   70    HB3  ASP  12           3HB      ASP  12  11.784   6.466   0.619
   71    H    ARG  13           H        ARG  13  10.410   6.687   2.399
   72    HA   ARG  13           HA       ARG  13  11.428   7.173   4.919
   73    HB2  ARG  13           2HB      ARG  13   8.785   7.813   3.645
   74    HB3  ARG  13           3HB      ARG  13   9.104   8.263   5.315
   75    HG2  ARG  13           2HG      ARG  13  11.259   9.046   3.541
   76    HG3  ARG  13           3HG      ARG  13   9.708   9.745   3.071
   77    HD2  ARG  13           2HD      ARG  13   9.572  10.203   5.686
   78    HD3  ARG  13           3HD      ARG  13  11.327  10.166   5.522
   79    HE   ARG  13           HE       ARG  13  10.553  11.836   3.539
   80   HH11  ARG  13          1HH1      ARG  13   9.896  11.704   6.955
   81   HH12  ARG  13          2HH1      ARG  13   9.716  13.420   7.119
   82   HH21  ARG  13          1HH2      ARG  13  10.319  14.096   3.742
   83   HH22  ARG  13          2HH2      ARG  13   9.956  14.779   5.291
   84    H    HIS  14           H        HIS  14   9.022   4.862   3.921
   85    HA   HIS  14           HA       HIS  14   7.787   4.323   6.365
   86    HB2  HIS  14           2HB      HIS  14   6.921   3.429   4.278
   87    HB3  HIS  14           3HB      HIS  14   8.375   2.460   4.055
   88    HD1  HIS  14           HD1      HIS  14   5.211   2.614   6.055
   89    HD2  HIS  14           HD2      HIS  14   8.461   0.084   5.510
   90    HE1  HIS  14           HE1      HIS  14   4.580   0.457   7.184
   91    H    CYS  15           H        CYS  15  10.763   3.024   4.964
   92    HA   CYS  15           HA       CYS  15  11.236   1.383   7.322
   93    HB2  CYS  15           2HB      CYS  15  11.926   1.152   4.621
   94    HB3  CYS  15           3HB      CYS  15  13.443   1.496   5.445
   95    H    VAL  16           H        VAL  16  12.288   4.376   5.896
   96    HA   VAL  16           HA       VAL  16  14.718   4.769   7.197
   97    HB   VAL  16           HB       VAL  16  12.646   6.845   6.470
   98   HG11  VAL  16          1HG1      VAL  16  14.196   7.780   8.049
   99   HG12  VAL  16          2HG1      VAL  16  15.569   7.122   7.157
  100   HG13  VAL  16          3HG1      VAL  16  14.583   8.400   6.445
  101   HG21  VAL  16          3HG2      VAL  16  14.835   6.892   4.708
  102   HG22  VAL  16          1HG2      VAL  16  14.372   5.199   4.881
  103   HG23  VAL  16          2HG2      VAL  16  13.181   6.390   4.361
  104    H    SER  17           H        SER  17  11.493   4.844   8.428
  105    HA   SER  17           HA       SER  17  12.185   6.325  10.816
  106    HB2  SER  17           2HB      SER  17   9.859   6.110   9.524
  107    HB3  SER  17           3HB      SER  17   9.650   4.766  10.646
  108    HG   SER  17           HG       SER  17   8.914   6.451  11.779
  109    H    LYS  18           H        LYS  18  11.606   2.981   9.879
  110    HA   LYS  18           HA       LYS  18  11.534   1.815  12.417
  111    HB2  LYS  18           2HB      LYS  18  12.138   0.869   9.666
  112    HB3  LYS  18           3HB      LYS  18  12.655  -0.162  10.994
  113    HG2  LYS  18           2HG      LYS  18  10.578  -1.011  10.613
  114    HG3  LYS  18           3HG      LYS  18  10.187   0.220  11.817
  115    HD2  LYS  18           2HD      LYS  18   9.093   1.525  10.321
  116    HD3  LYS  18           3HD      LYS  18  10.179   1.099   8.995
  117    HE2  LYS  18           2HE      LYS  18   8.330  -0.006   8.280
  118    HE3  LYS  18           3HE      LYS  18   8.996  -1.264   9.320
  119    HZ1  LYS  18           3HZ      LYS  18   7.547  -0.012  11.099
  120    HZ2  LYS  18           1HZ      LYS  18   6.875  -1.194  10.092
  121    HZ3  LYS  18           2HZ      LYS  18   6.659   0.445   9.734
  122    H    GLY  19           H        GLY  19  14.283   2.548  10.302
  123    HA2  GLY  19           2HA      GLY  19  16.179   3.307  11.971
  124    HA3  GLY  19           3HA      GLY  19  16.142   1.590  12.345
  125    H    TYR  20           H        TYR  20  15.431   1.068   9.446
  126    HA   TYR  20           HA       TYR  20  18.096   0.623   8.549
  127    HB2  TYR  20           2HB      TYR  20  15.565   0.422   6.912
  128    HB3  TYR  20           3HB      TYR  20  17.099  -0.386   6.607
  129    HD1  TYR  20           HD1      TYR  20  17.812  -2.271   8.028
  130    HD2  TYR  20           HD2      TYR  20  13.999  -0.445   8.508
  131    HE1  TYR  20           HE1      TYR  20  17.052  -4.214   9.330
  132    HE2  TYR  20           HE2      TYR  20  13.229  -2.383   9.813
  133    HH   TYR  20           HH       TYR  20  14.624  -5.273   9.809
  134    H    THR  21           H        THR  21  18.433   1.178   6.037
  135    HA   THR  21           HA       THR  21  18.790   4.014   5.966
  136    HB   THR  21           HB       THR  21  20.402   2.394   4.955
  137    HG1  THR  21           HG1      THR  21  20.551   4.513   4.267
  138   HG21  THR  21          3HG2      THR  21  19.953   1.201   3.020
  139   HG22  THR  21          1HG2      THR  21  18.594   2.232   2.575
  140   HG23  THR  21          2HG2      THR  21  18.425   1.070   3.891
  141    H    GLY  22           H        GLY  22  16.399   1.812   4.775
  142    HA2  GLY  22           2HA      GLY  22  14.290   3.277   4.343
  143    HA3  GLY  22           3HA      GLY  22  15.269   3.867   3.009
  144    H    GLY  23           H        GLY  23  12.690   2.336   3.120
  145    HA2  GLY  23           2HA      GLY  23  13.394  -0.227   1.939
  146    HA3  GLY  23           3HA      GLY  23  11.771   0.363   2.265
  147    H    ASN  24           H        ASN  24  13.784  -0.492  -0.146
  148    HA   ASN  24           HA       ASN  24  12.517   1.364  -2.053
  149    HB2  ASN  24           2HB      ASN  24  15.064  -0.045  -2.735
  150    HB3  ASN  24           3HB      ASN  24  14.456   1.505  -3.307
  151   HD21  ASN  24          1HD2      ASN  24  13.953   2.869  -1.049
  152   HD22  ASN  24          2HD2      ASN  24  15.404   3.102  -0.141
  153    H    CYS  25           H        CYS  25  12.241   0.451  -4.256
  154    HA   CYS  25           HA       CYS  25  11.340  -2.333  -4.057
  155    HB2  CYS  25           2HB      CYS  25  10.664  -0.341  -6.224
  156    HB3  CYS  25           3HB      CYS  25   9.855  -1.866  -5.878
  157    H    ARG  26           H        ARG  26  11.828  -3.851  -5.676
  158    HA   ARG  26           HA       ARG  26  13.786  -3.138  -7.706
  159    HB2  ARG  26           2HB      ARG  26  14.331  -5.118  -5.495
  160    HB3  ARG  26           3HB      ARG  26  15.242  -5.084  -6.999
  161    HG2  ARG  26           2HG      ARG  26  15.015  -2.764  -5.094
  162    HG3  ARG  26           3HG      ARG  26  16.355  -3.912  -5.126
  163    HD2  ARG  26           2HD      ARG  26  16.548  -3.273  -7.617
  164    HD3  ARG  26           3HD      ARG  26  15.562  -1.878  -7.180
  165    HE   ARG  26           HE       ARG  26  17.683  -2.017  -5.378
  166   HH11  ARG  26          1HH1      ARG  26  17.161  -1.478  -8.778
  167   HH12  ARG  26          2HH1      ARG  26  18.557  -0.471  -8.966
  168   HH21  ARG  26          1HH2      ARG  26  19.524  -0.692  -5.613
  169   HH22  ARG  26          2HH2      ARG  26  19.902  -0.025  -7.165
  170    H    GLY  27           H        GLY  27  14.403  -5.280  -8.941
  171    HA2  GLY  27           2HA      GLY  27  11.846  -6.496  -9.666
  172    HA3  GLY  27           3HA      GLY  27  13.329  -6.554 -10.608
  173    H    LYS  28           H        LYS  28  13.013  -7.353  -7.190
  174    HA   LYS  28           HA       LYS  28  14.506  -9.670  -7.275
  175    HB2  LYS  28           2HB      LYS  28  13.201 -10.298  -5.165
  176    HB3  LYS  28           3HB      LYS  28  14.076  -8.772  -5.146
  177    HG2  LYS  28           2HG      LYS  28  11.314  -8.548  -6.079
  178    HG3  LYS  28           3HG      LYS  28  11.476  -9.105  -4.412
  179    HD2  LYS  28           2HD      LYS  28  13.121  -6.785  -5.283
  180    HD3  LYS  28           3HD      LYS  28  11.394  -6.529  -5.021
  181    HE2  LYS  28           2HE      LYS  28  13.227  -7.808  -3.001
  182    HE3  LYS  28           3HE      LYS  28  12.850  -6.086  -3.028
  183    HZ1  LYS  28           3HZ      LYS  28  10.661  -6.471  -2.447
  184    HZ2  LYS  28           1HZ      LYS  28  11.479  -7.631  -1.527
  185    HZ3  LYS  28           2HZ      LYS  28  10.686  -8.086  -2.950
  186    H    ILE  29           H        ILE  29  11.134  -9.197  -8.044
  187    HA   ILE  29           HA       ILE  29  11.024 -11.840  -9.221
  188    HB   ILE  29           HB       ILE  29   8.790 -12.289  -8.069
  189   HG12  ILE  29          2HG1      ILE  29   9.949 -10.271  -6.134
  190   HG13  ILE  29          3HG1      ILE  29   8.479 -10.073  -7.081
  191   HG21  ILE  29          1HG2      ILE  29  11.194 -12.398  -6.263
  192   HG22  ILE  29          2HG2      ILE  29   9.827 -13.510  -6.321
  193   HG23  ILE  29          3HG2      ILE  29  10.981 -13.461  -7.653
  194   HD11  ILE  29          3HD1      ILE  29   7.791 -12.285  -5.828
  195   HD12  ILE  29          1HD1      ILE  29   8.971 -11.701  -4.655
  196   HD13  ILE  29          2HD1      ILE  29   7.588 -10.697  -5.088
  197    H    ARG  30           H        ARG  30   9.322  -8.843  -8.432
  198    HA   ARG  30           HA       ARG  30   8.598  -8.314 -11.093
  199    HB2  ARG  30           2HB      ARG  30   7.034 -10.294 -10.284
  200    HB3  ARG  30           3HB      ARG  30   6.135  -8.977  -9.545
  201    HG2  ARG  30           2HG      ARG  30   5.075  -9.058 -11.546
  202    HG3  ARG  30           3HG      ARG  30   6.376  -7.943 -11.971
  203    HD2  ARG  30           2HD      ARG  30   7.388  -9.436 -13.326
  204    HD3  ARG  30           3HD      ARG  30   7.011 -10.800 -12.273
  205    HE   ARG  30           HE       ARG  30   5.155 -11.206 -13.540
  206   HH11  ARG  30          1HH1      ARG  30   6.248  -7.959 -14.155
  207   HH12  ARG  30          2HH1      ARG  30   5.122  -7.684 -15.443
  208   HH21  ARG  30          1HH2      ARG  30   3.667 -10.857 -15.233
  209   HH22  ARG  30          2HH2      ARG  30   3.654  -9.333 -16.055
  210    H    GLN  31           H        GLN  31   9.773  -6.647  -9.493
  211    HA   GLN  31           HA       GLN  31   9.705  -4.545  -8.626
  212    HB2  GLN  31           2HB      GLN  31   6.812  -4.453  -9.474
  213    HB3  GLN  31           3HB      GLN  31   7.904  -3.096  -9.234
  214    HG2  GLN  31           2HG      GLN  31   8.201  -5.189 -11.376
  215    HG3  GLN  31           3HG      GLN  31   7.479  -3.597 -11.605
  216   HE21  GLN  31          1HE2      GLN  31  10.407  -5.382 -11.149
  217   HE22  GLN  31          2HE2      GLN  31  11.498  -4.086 -11.488
  218    H    THR  32           H        THR  32   9.903  -5.662  -6.549
  219    HA   THR  32           HA       THR  32   7.501  -5.277  -4.883
  220    HB   THR  32           HB       THR  32   9.665  -7.342  -4.435
  221    HG1  THR  32           HG1      THR  32   7.962  -7.558  -6.235
  222   HG21  THR  32          3HG2      THR  32   7.093  -6.709  -2.996
  223   HG22  THR  32          1HG2      THR  32   8.729  -6.711  -2.339
  224   HG23  THR  32          2HG2      THR  32   7.961  -8.231  -2.796
  225    H    CYS  33           H        CYS  33   7.790  -4.423  -2.814
  226    HA   CYS  33           HA       CYS  33  10.103  -2.716  -2.541
  227    HB2  CYS  33           2HB      CYS  33   7.484  -2.444  -1.823
  228    HB3  CYS  33           3HB      CYS  33   8.217  -2.882  -0.284
  229    H    HIS  34           H        HIS  34  11.534  -2.694  -0.765
  230    HA   HIS  34           HA       HIS  34  11.494  -4.803   1.186
  231    HB2  HIS  34           2HB      HIS  34  12.501  -5.732  -1.044
  232    HB3  HIS  34           3HB      HIS  34  13.924  -4.808  -0.570
  233    HD1  HIS  34           HD1      HIS  34  15.445  -6.731   0.009
  234    HD2  HIS  34           HD2      HIS  34  11.790  -6.918   1.976
  235    HE1  HIS  34           HE1      HIS  34  15.684  -8.579   1.697
  236    H    CYS  35           H        CYS  35  13.083  -4.533   2.831
  237    HA   CYS  35           HA       CYS  35  14.124  -1.793   2.941
  238    HB2  CYS  35           2HB      CYS  35  13.249  -3.778   4.994
  239    HB3  CYS  35           3HB      CYS  35  14.460  -2.583   5.448
  240    H    TYR  36           H        TYR  36  16.244  -1.376   2.959
  241    HA   TYR  36           HA       TYR  36  18.216  -3.161   3.950
  242    HB2  TYR  36           2HB      TYR  36  19.334  -3.753   1.885
  243    HB3  TYR  36           3HB      TYR  36  17.667  -4.312   1.817
  244    HD1  TYR  36           HD1      TYR  36  15.980  -2.664   0.659
  245    HD2  TYR  36           HD2      TYR  36  20.195  -2.577   0.086
  246    HE1  TYR  36           HE1      TYR  36  15.660  -1.469  -1.466
  247    HE2  TYR  36           HE2      TYR  36  19.887  -1.380  -2.041
  248    HH   TYR  36           HH       TYR  36  18.393  -0.715  -3.579
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   0.138  -0.807  -2.722
    2    HA2  GLY   1           2HA      GLY   1   2.268  -0.768  -4.733
    3    HA3  GLY   1           3HA      GLY   1   0.667  -1.278  -5.249
    4    H    PHE   2           H        PHE   2   1.965   1.348  -3.212
    5    HA   PHE   2           HA       PHE   2   0.285   3.215  -4.751
    6    HB2  PHE   2           2HB      PHE   2   1.317   3.682  -1.955
    7    HB3  PHE   2           3HB      PHE   2   0.055   4.569  -2.804
    8    HD1  PHE   2           HD2      PHE   2   0.885   1.435  -1.078
    9    HD2  PHE   2           HD1      PHE   2  -2.188   3.763  -2.882
   10    HE1  PHE   2           HE2      PHE   2  -0.814  -0.039  -0.080
   11    HE2  PHE   2           HE1      PHE   2  -3.891   2.294  -1.885
   12    HZ   PHE   2           HZ       PHE   2  -3.205   0.389  -0.483
   13    H    GLY   3           H        GLY   3   3.476   2.449  -3.677
   14    HA2  GLY   3           2HA      GLY   3   4.543   4.583  -5.346
   15    HA3  GLY   3           3HA      GLY   3   4.960   4.663  -3.641
   16    H    CYS   4           H        CYS   4   6.555   4.174  -6.156
   17    HA   CYS   4           HA       CYS   4   8.460   2.437  -5.095
   18    HB2  CYS   4           2HB      CYS   4   6.277   1.090  -6.416
   19    HB3  CYS   4           3HB      CYS   4   7.781   0.807  -7.287
   20    HA   PRO   5           HA       PRO   5   9.544   3.257  -9.725
   21    HB2  PRO   5           2HB      PRO   5   7.622   4.366 -11.288
   22    HB3  PRO   5           3HB      PRO   5   7.810   2.620 -11.090
   23    HG2  PRO   5           2HG      PRO   5   5.892   4.483  -9.744
   24    HG3  PRO   5           3HG      PRO   5   5.598   2.868 -10.415
   25    HD2  PRO   5           2HD      PRO   5   5.945   3.304  -7.765
   26    HD3  PRO   5           3HD      PRO   5   6.461   1.803  -8.562
   27    H    TRP   6           H        TRP   6   7.107   5.605  -8.604
   28    HA   TRP   6           HA       TRP   6   9.125   7.724  -8.957
   29    HB2  TRP   6           2HB      TRP   6   6.801   9.112  -9.050
   30    HB3  TRP   6           3HB      TRP   6   7.640   8.511 -10.478
   31    HD1  TRP   6           HD1      TRP   6   6.455   6.651 -11.891
   32    HE1  TRP   6           HE1      TRP   6   4.132   5.546 -11.783
   33    HE3  TRP   6           HE3      TRP   6   4.965   8.340  -7.302
   34    HZ2  TRP   6           HZ2      TRP   6   1.957   5.410  -9.990
   35    HZ3  TRP   6           HZ3      TRP   6   2.748   7.677  -6.464
   36    HH2  TRP   6           HH2      TRP   6   1.277   6.243  -7.782
   37    H    ASN   7           H        ASN   7   6.525   6.423  -6.997
   38    HA   ASN   7           HA       ASN   7   6.912   8.466  -4.955
   39    HB2  ASN   7           2HB      ASN   7   4.816   6.539  -5.638
   40    HB3  ASN   7           3HB      ASN   7   5.141   6.626  -3.909
   41   HD21  ASN   7          1HD2      ASN   7   3.025   7.496  -3.678
   42   HD22  ASN   7          2HD2      ASN   7   2.725   9.165  -4.008
   43    H    ALA   8           H        ALA   8   8.974   6.421  -5.644
   44    HA   ALA   8           HA       ALA   8   9.223   4.379  -3.817
   45    HB1  ALA   8           1HB      ALA   8  11.614   6.029  -4.523
   46    HB2  ALA   8           2HB      ALA   8  11.464   4.277  -4.376
   47    HB3  ALA   8           3HB      ALA   8  10.769   5.109  -5.768
   48    H    TYR   9           H        TYR   9   9.675   7.810  -3.330
   49    HA   TYR   9           HA       TYR   9  11.136   7.855  -0.982
   50    HB2  TYR   9           2HB      TYR   9   9.641   9.703  -2.498
   51    HB3  TYR   9           3HB      TYR   9   9.033   9.819  -0.850
   52    HD1  TYR   9           HD2      TYR   9  11.955  10.282  -3.018
   53    HD2  TYR   9           HD1      TYR   9  10.435  10.649   0.939
   54    HE1  TYR   9           HE2      TYR   9  13.892  11.669  -2.409
   55    HE2  TYR   9           HE1      TYR   9  12.367  12.039   1.558
   56    HH   TYR   9           HH       TYR   9  14.989  12.671  -0.741
   57    H    GLU  10           H        GLU  10   7.816   6.959  -1.505
   58    HA   GLU  10           HA       GLU  10   6.924   7.175   1.175
   59    HB2  GLU  10           2HB      GLU  10   5.283   7.074  -0.557
   60    HB3  GLU  10           3HB      GLU  10   5.934   5.561  -1.173
   61    HG2  GLU  10           2HG      GLU  10   3.823   5.295   0.076
   62    HG3  GLU  10           3HG      GLU  10   5.162   4.370   0.753
   63    H    CYS  11           H        CYS  11   7.916   4.334  -0.738
   64    HA   CYS  11           HA       CYS  11   7.836   2.537   1.449
   65    HB2  CYS  11           2HB      CYS  11   7.900   2.130  -1.164
   66    HB3  CYS  11           3HB      CYS  11   9.637   2.044  -0.885
   67    H    ASP  12           H        ASP  12  10.210   4.777   0.303
   68    HA   ASP  12           HA       ASP  12  12.473   3.590   1.566
   69    HB2  ASP  12           2HB      ASP  12  12.954   5.068  -0.213
   70    HB3  ASP  12           3HB      ASP  12  11.918   6.331   0.448
   71    H    ARG  13           H        ARG  13  10.644   6.549   2.369
   72    HA   ARG  13           HA       ARG  13  11.815   6.966   4.870
   73    HB2  ARG  13           2HB      ARG  13   9.095   7.755   3.819
   74    HB3  ARG  13           3HB      ARG  13   9.749   8.321   5.350
   75    HG2  ARG  13           2HG      ARG  13  11.735   8.834   3.450
   76    HG3  ARG  13           3HG      ARG  13  10.210   9.302   2.695
   77    HD2  ARG  13           2HD      ARG  13   9.886  10.343   5.170
   78    HD3  ARG  13           3HD      ARG  13  11.634  10.479   4.987
   79    HE   ARG  13           HE       ARG  13  11.311  12.113   3.410
   80   HH11  ARG  13          1HH1      ARG  13   8.304  10.458   3.991
   81   HH12  ARG  13          2HH1      ARG  13   7.359  11.578   3.066
   82   HH21  ARG  13          1HH2      ARG  13  10.078  13.594   2.190
   83   HH22  ARG  13          2HH2      ARG  13   8.369  13.361   2.042
   84    H    HIS  14           H        HIS  14   9.404   4.719   3.862
   85    HA   HIS  14           HA       HIS  14   8.028   4.251   6.239
   86    HB2  HIS  14           2HB      HIS  14   7.263   3.266   4.177
   87    HB3  HIS  14           3HB      HIS  14   8.759   2.354   4.002
   88    HD1  HIS  14           HD1      HIS  14   5.411   2.200   5.493
   89    HD2  HIS  14           HD2      HIS  14   9.026   0.193   5.900
   90    HE1  HIS  14           HE1      HIS  14   4.867   0.077   6.728
   91    H    CYS  15           H        CYS  15  11.080   2.890   5.068
   92    HA   CYS  15           HA       CYS  15  11.411   1.361   7.524
   93    HB2  CYS  15           2HB      CYS  15  13.218   1.596   5.107
   94    HB3  CYS  15           3HB      CYS  15  13.436   0.475   6.447
   95    H    VAL  16           H        VAL  16  12.689   4.210   5.937
   96    HA   VAL  16           HA       VAL  16  15.003   4.675   7.364
   97    HB   VAL  16           HB       VAL  16  12.986   6.740   6.470
   98   HG11  VAL  16          1HG1      VAL  16  15.303   8.031   6.312
   99   HG12  VAL  16          2HG1      VAL  16  14.333   8.020   7.786
  100   HG13  VAL  16          3HG1      VAL  16  15.711   6.930   7.627
  101   HG21  VAL  16          3HG2      VAL  16  14.471   4.958   4.940
  102   HG22  VAL  16          1HG2      VAL  16  13.687   6.434   4.378
  103   HG23  VAL  16          2HG2      VAL  16  15.381   6.467   4.868
  104    H    SER  17           H        SER  17  11.686   5.025   8.385
  105    HA   SER  17           HA       SER  17  12.277   6.559  10.733
  106    HB2  SER  17           2HB      SER  17   9.839   5.496  11.262
  107    HB3  SER  17           3HB      SER  17  10.083   6.926  10.259
  108    HG   SER  17           HG       SER  17   9.165   4.469   9.566
  109    H    LYS  18           H        LYS  18  11.732   3.148  10.014
  110    HA   LYS  18           HA       LYS  18  11.721   2.238  12.691
  111    HB2  LYS  18           2HB      LYS  18  12.123   0.942  10.022
  112    HB3  LYS  18           3HB      LYS  18  12.467   0.028  11.485
  113    HG2  LYS  18           2HG      LYS  18  10.309  -0.556  11.313
  114    HG3  LYS  18           3HG      LYS  18  10.030   1.002  12.095
  115    HD2  LYS  18           2HD      LYS  18   9.034   1.837  10.278
  116    HD3  LYS  18           3HD      LYS  18  10.315   1.249   9.214
  117    HE2  LYS  18           2HE      LYS  18   8.598  -0.013   8.422
  118    HE3  LYS  18           3HE      LYS  18   9.133  -1.076   9.723
  119    HZ1  LYS  18           3HZ      LYS  18   7.119  -0.925  10.594
  120    HZ2  LYS  18           1HZ      LYS  18   6.629   0.154   9.386
  121    HZ3  LYS  18           2HZ      LYS  18   7.324   0.740  10.812
  122    H    GLY  19           H        GLY  19  14.291   2.727  10.326
  123    HA2  GLY  19           2HA      GLY  19  16.370   3.416  11.783
  124    HA3  GLY  19           3HA      GLY  19  16.281   1.716  12.219
  125    H    TYR  20           H        TYR  20  15.524   0.676   9.710
  126    HA   TYR  20           HA       TYR  20  17.966   0.194   8.519
  127    HB2  TYR  20           2HB      TYR  20  15.313   0.147   7.074
  128    HB3  TYR  20           3HB      TYR  20  16.753  -0.786   6.682
  129    HD1  TYR  20           HD2      TYR  20  17.593  -2.413   8.543
  130    HD2  TYR  20           HD1      TYR  20  13.654  -0.813   8.381
  131    HE1  TYR  20           HE2      TYR  20  16.794  -4.253   9.966
  132    HE2  TYR  20           HE1      TYR  20  12.844  -2.648   9.805
  133    HH   TYR  20           HH       TYR  20  15.042  -5.197  10.944
  134    H    THR  21           H        THR  21  18.632   0.736   6.267
  135    HA   THR  21           HA       THR  21  19.051   3.483   5.977
  136    HB   THR  21           HB       THR  21  20.475   1.706   4.953
  137    HG1  THR  21           HG1      THR  21  20.911   2.957   3.098
  138   HG21  THR  21          3HG2      THR  21  19.834   0.726   2.832
  139   HG22  THR  21          1HG2      THR  21  18.298   1.590   2.863
  140   HG23  THR  21          2HG2      THR  21  18.625   0.330   4.053
  141    H    GLY  22           H        GLY  22  16.516   1.406   4.759
  142    HA2  GLY  22           2HA      GLY  22  14.473   3.012   4.425
  143    HA3  GLY  22           3HA      GLY  22  15.461   3.566   3.082
  144    H    GLY  23           H        GLY  23  12.810   2.286   3.085
  145    HA2  GLY  23           2HA      GLY  23  13.298  -0.349   1.947
  146    HA3  GLY  23           3HA      GLY  23  11.730   0.396   2.220
  147    H    ASN  24           H        ASN  24  13.801  -0.612  -0.116
  148    HA   ASN  24           HA       ASN  24  12.691   1.288  -2.077
  149    HB2  ASN  24           2HB      ASN  24  15.232  -0.187  -2.635
  150    HB3  ASN  24           3HB      ASN  24  14.689   1.374  -3.242
  151   HD21  ASN  24          1HD2      ASN  24  14.109   2.759  -1.014
  152   HD22  ASN  24          2HD2      ASN  24  15.521   2.964  -0.039
  153    H    CYS  25           H        CYS  25  12.256   0.431  -4.196
  154    HA   CYS  25           HA       CYS  25  11.427  -2.375  -4.077
  155    HB2  CYS  25           2HB      CYS  25  10.690  -0.307  -6.153
  156    HB3  CYS  25           3HB      CYS  25   9.921  -1.868  -5.883
  157    H    ARG  26           H        ARG  26  11.899  -3.842  -5.747
  158    HA   ARG  26           HA       ARG  26  13.798  -3.056  -7.802
  159    HB2  ARG  26           2HB      ARG  26  14.445  -5.024  -5.611
  160    HB3  ARG  26           3HB      ARG  26  15.293  -5.016  -7.152
  161    HG2  ARG  26           2HG      ARG  26  15.154  -2.702  -5.229
  162    HG3  ARG  26           3HG      ARG  26  16.515  -3.811  -5.406
  163    HD2  ARG  26           2HD      ARG  26  16.683  -3.123  -7.791
  164    HD3  ARG  26           3HD      ARG  26  15.429  -1.922  -7.488
  165    HE   ARG  26           HE       ARG  26  17.393  -1.464  -5.608
  166   HH11  ARG  26          1HH1      ARG  26  17.155  -1.490  -9.081
  167   HH12  ARG  26          2HH1      ARG  26  18.393  -0.298  -9.305
  168   HH21  ARG  26          1HH2      ARG  26  19.024   0.105  -5.889
  169   HH22  ARG  26          2HH2      ARG  26  19.456   0.608  -7.489
  170    H    GLY  27           H        GLY  27  14.436  -5.175  -9.077
  171    HA2  GLY  27           2HA      GLY  27  11.888  -6.428  -9.769
  172    HA3  GLY  27           3HA      GLY  27  13.353  -6.448 -10.739
  173    H    LYS  28           H        LYS  28  13.101  -7.298  -7.326
  174    HA   LYS  28           HA       LYS  28  14.640  -9.582  -7.461
  175    HB2  LYS  28           2HB      LYS  28  13.374 -10.266  -5.345
  176    HB3  LYS  28           3HB      LYS  28  14.216  -8.722  -5.315
  177    HG2  LYS  28           2HG      LYS  28  11.439  -8.546  -6.213
  178    HG3  LYS  28           3HG      LYS  28  11.633  -9.122  -4.556
  179    HD2  LYS  28           2HD      LYS  28  13.227  -6.761  -5.401
  180    HD3  LYS  28           3HD      LYS  28  11.495  -6.536  -5.144
  181    HE2  LYS  28           2HE      LYS  28  12.732  -6.050  -3.109
  182    HE3  LYS  28           3HE      LYS  28  11.716  -7.474  -2.890
  183    HZ1  LYS  28           3HZ      LYS  28  13.552  -8.883  -2.967
  184    HZ2  LYS  28           1HZ      LYS  28  14.094  -7.578  -2.036
  185    HZ3  LYS  28           2HZ      LYS  28  14.561  -7.713  -3.656
  186    H    ILE  29           H        ILE  29  11.248  -9.169  -8.179
  187    HA   ILE  29           HA       ILE  29  11.178 -11.796  -9.397
  188    HB   ILE  29           HB       ILE  29   8.971 -12.312  -8.220
  189   HG12  ILE  29          2HG1      ILE  29  10.114 -10.300  -6.269
  190   HG13  ILE  29          3HG1      ILE  29   8.627 -10.118  -7.193
  191   HG21  ILE  29          1HG2      ILE  29  11.350 -12.404  -6.391
  192   HG22  ILE  29          2HG2      ILE  29  10.052 -13.583  -6.572
  193   HG23  ILE  29          3HG2      ILE  29  11.252 -13.390  -7.850
  194   HD11  ILE  29          3HD1      ILE  29   9.141 -12.204  -5.086
  195   HD12  ILE  29          1HD1      ILE  29   8.186 -10.735  -4.881
  196   HD13  ILE  29          2HD1      ILE  29   7.645 -11.992  -5.995
  197    H    ARG  30           H        ARG  30   9.423  -8.849  -8.535
  198    HA   ARG  30           HA       ARG  30   8.650  -8.295 -11.177
  199    HB2  ARG  30           2HB      ARG  30   7.141 -10.320 -10.379
  200    HB3  ARG  30           3HB      ARG  30   6.225  -9.035  -9.603
  201    HG2  ARG  30           2HG      ARG  30   5.262  -8.481 -11.518
  202    HG3  ARG  30           3HG      ARG  30   6.826  -8.330 -12.322
  203    HD2  ARG  30           2HD      ARG  30   5.880 -11.079 -11.808
  204    HD3  ARG  30           3HD      ARG  30   4.969 -10.153 -13.001
  205    HE   ARG  30           HE       ARG  30   7.629  -9.830 -13.652
  206   HH11  ARG  30          1HH1      ARG  30   5.389 -12.477 -13.346
  207   HH12  ARG  30          2HH1      ARG  30   6.174 -13.451 -14.545
  208   HH21  ARG  30          1HH2      ARG  30   8.671 -11.102 -15.233
  209   HH22  ARG  30          2HH2      ARG  30   8.041 -12.668 -15.617
  210    H    GLN  31           H        GLN  31   9.811  -6.624  -9.575
  211    HA   GLN  31           HA       GLN  31   9.711  -4.538  -8.676
  212    HB2  GLN  31           2HB      GLN  31   7.979  -4.378 -10.623
  213    HB3  GLN  31           3HB      GLN  31   6.790  -4.372  -9.327
  214    HG2  GLN  31           2HG      GLN  31   7.065  -2.167  -9.312
  215    HG3  GLN  31           3HG      GLN  31   8.583  -2.492  -8.478
  216   HE21  GLN  31          1HE2      GLN  31   7.087  -1.471 -11.404
  217   HE22  GLN  31          2HE2      GLN  31   8.531  -1.034 -12.246
  218    H    THR  32           H        THR  32   9.979  -5.657  -6.616
  219    HA   THR  32           HA       THR  32   7.602  -5.345  -4.900
  220    HB   THR  32           HB       THR  32   9.792  -7.396  -4.529
  221    HG1  THR  32           HG1      THR  32   8.254  -7.742  -6.323
  222   HG21  THR  32          3HG2      THR  32   8.986  -7.035  -2.396
  223   HG22  THR  32          1HG2      THR  32   7.900  -8.304  -2.961
  224   HG23  THR  32          2HG2      THR  32   7.368  -6.622  -2.963
  225    H    CYS  33           H        CYS  33   7.930  -4.540  -2.813
  226    HA   CYS  33           HA       CYS  33  10.198  -2.782  -2.561
  227    HB2  CYS  33           2HB      CYS  33   7.704  -2.412  -1.820
  228    HB3  CYS  33           3HB      CYS  33   8.225  -3.233  -0.353
  229    H    HIS  34           H        HIS  34  11.663  -2.747  -0.785
  230    HA   HIS  34           HA       HIS  34  11.805  -4.970   1.029
  231    HB2  HIS  34           2HB      HIS  34  12.759  -5.922  -1.073
  232    HB3  HIS  34           3HB      HIS  34  14.005  -4.678  -1.026
  233    HD1  HIS  34           HD1      HIS  34  15.882  -6.427  -0.774
  234    HD2  HIS  34           HD2      HIS  34  13.072  -6.510   2.285
  235    HE1  HIS  34           HE1      HIS  34  16.892  -7.861   1.028
  236    H    CYS  35           H        CYS  35  13.080  -4.543   2.791
  237    HA   CYS  35           HA       CYS  35  14.228  -1.843   2.889
  238    HB2  CYS  35           2HB      CYS  35  13.184  -3.710   5.008
  239    HB3  CYS  35           3HB      CYS  35  14.191  -2.326   5.420
  240    H    TYR  36           H        TYR  36  16.355  -1.557   2.997
  241    HA   TYR  36           HA       TYR  36  18.057  -3.912   3.391
  242    HB2  TYR  36           2HB      TYR  36  18.827  -1.191   2.319
  243    HB3  TYR  36           3HB      TYR  36  19.811  -2.650   2.295
  244    HD1  TYR  36           HD1      TYR  36  18.693  -4.703   1.049
  245    HD2  TYR  36           HD2      TYR  36  17.657  -0.626   0.410
  246    HE1  TYR  36           HE1      TYR  36  17.779  -5.287  -1.159
  247    HE2  TYR  36           HE2      TYR  36  16.738  -1.199  -1.798
  248    HH   TYR  36           HH       TYR  36  15.819  -3.211  -2.944
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   1.913  -2.197  -5.565
    2    HA2  GLY   1           2HA      GLY   1   0.471  -1.689  -3.326
    3    HA3  GLY   1           3HA      GLY   1   2.114  -1.104  -3.539
    4    H    PHE   2           H        PHE   2   2.477   1.043  -4.074
    5    HA   PHE   2           HA       PHE   2   0.533   2.889  -4.863
    6    HB2  PHE   2           2HB      PHE   2   0.423   4.133  -2.600
    7    HB3  PHE   2           3HB      PHE   2  -0.610   2.726  -2.826
    8    HD1  PHE   2           HD2      PHE   2   2.884   3.413  -1.695
    9    HD2  PHE   2           HD1      PHE   2  -0.765   1.325  -1.028
   10    HE1  PHE   2           HE2      PHE   2   3.842   2.392   0.328
   11    HE2  PHE   2           HE1      PHE   2   0.187   0.301   0.997
   12    HZ   PHE   2           HZ       PHE   2   2.494   0.833   1.676
   13    H    GLY   3           H        GLY   3   3.297   2.225  -5.312
   14    HA2  GLY   3           2HA      GLY   3   4.524   4.485  -5.937
   15    HA3  GLY   3           3HA      GLY   3   4.795   4.472  -4.201
   16    H    CYS   4           H        CYS   4   6.600   4.209  -6.619
   17    HA   CYS   4           HA       CYS   4   8.515   2.519  -5.507
   18    HB2  CYS   4           2HB      CYS   4   6.505   1.128  -7.038
   19    HB3  CYS   4           3HB      CYS   4   8.077   0.966  -7.814
   20    HA   PRO   5           HA       PRO   5   9.869   3.620 -10.006
   21    HB2  PRO   5           2HB      PRO   5   8.003   4.710 -11.648
   22    HB3  PRO   5           3HB      PRO   5   8.267   2.968 -11.519
   23    HG2  PRO   5           2HG      PRO   5   6.168   4.666 -10.226
   24    HG3  PRO   5           3HG      PRO   5   6.005   3.074 -10.991
   25    HD2  PRO   5           2HD      PRO   5   6.147   3.392  -8.305
   26    HD3  PRO   5           3HD      PRO   5   6.794   1.961  -9.133
   27    H    TRP   6           H        TRP   6   7.241   5.787  -8.954
   28    HA   TRP   6           HA       TRP   6   9.165   8.018  -9.069
   29    HB2  TRP   6           2HB      TRP   6   6.784   9.294  -9.250
   30    HB3  TRP   6           3HB      TRP   6   7.737   8.802 -10.647
   31    HD1  TRP   6           HD1      TRP   6   6.737   6.955 -12.213
   32    HE1  TRP   6           HE1      TRP   6   4.471   5.738 -12.302
   33    HE3  TRP   6           HE3      TRP   6   4.884   8.356  -7.659
   34    HZ2  TRP   6           HZ2      TRP   6   2.198   5.415 -10.659
   35    HZ3  TRP   6           HZ3      TRP   6   2.656   7.550  -6.993
   36    HH2  TRP   6           HH2      TRP   6   1.343   6.111  -8.464
   37    H    ASN   7           H        ASN   7   6.522   6.490  -7.345
   38    HA   ASN   7           HA       ASN   7   6.667   8.446  -5.190
   39    HB2  ASN   7           2HB      ASN   7   4.726   6.459  -6.102
   40    HB3  ASN   7           3HB      ASN   7   4.944   6.450  -4.355
   41   HD21  ASN   7          1HD2      ASN   7   2.795   7.207  -4.159
   42   HD22  ASN   7          2HD2      ASN   7   2.416   8.872  -4.420
   43    H    ALA   8           H        ALA   8   8.855   6.496  -5.864
   44    HA   ALA   8           HA       ALA   8   9.090   4.412  -4.078
   45    HB1  ALA   8           1HB      ALA   8  10.894   6.001  -5.690
   46    HB2  ALA   8           2HB      ALA   8  11.646   5.480  -4.182
   47    HB3  ALA   8           3HB      ALA   8  10.957   4.286  -5.282
   48    H    TYR   9           H        TYR   9   9.467   7.847  -3.506
   49    HA   TYR   9           HA       TYR   9  10.809   7.852  -1.086
   50    HB2  TYR   9           2HB      TYR   9   9.626   9.760  -2.648
   51    HB3  TYR   9           3HB      TYR   9   8.580   9.766  -1.233
   52    HD1  TYR   9           HD1      TYR   9  12.254   9.641  -1.950
   53    HD2  TYR   9           HD2      TYR   9   9.115  11.300   0.395
   54    HE1  TYR   9           HE1      TYR   9  13.891  11.034  -0.755
   55    HE2  TYR   9           HE2      TYR   9  10.743  12.699   1.595
   56    HH   TYR   9           HH       TYR   9  13.626  12.270   1.951
   57    H    GLU  10           H        GLU  10   7.529   6.947  -1.797
   58    HA   GLU  10           HA       GLU  10   6.516   7.105   0.852
   59    HB2  GLU  10           2HB      GLU  10   4.954   7.086  -0.957
   60    HB3  GLU  10           3HB      GLU  10   5.606   5.580  -1.586
   61    HG2  GLU  10           2HG      GLU  10   4.226   4.386  -0.339
   62    HG3  GLU  10           3HG      GLU  10   4.736   5.225   1.124
   63    H    CYS  11           H        CYS  11   7.863   4.455  -1.082
   64    HA   CYS  11           HA       CYS  11   7.558   2.511   0.997
   65    HB2  CYS  11           2HB      CYS  11   7.742   2.143  -1.567
   66    HB3  CYS  11           3HB      CYS  11   9.479   2.236  -1.298
   67    H    ASP  12           H        ASP  12   9.959   4.845   0.141
   68    HA   ASP  12           HA       ASP  12  12.149   3.628   1.509
   69    HB2  ASP  12           2HB      ASP  12  12.653   5.214  -0.211
   70    HB3  ASP  12           3HB      ASP  12  11.656   6.449   0.551
   71    H    ARG  13           H        ARG  13  10.081   6.424   2.307
   72    HA   ARG  13           HA       ARG  13  11.089   6.892   4.860
   73    HB2  ARG  13           2HB      ARG  13   8.483   7.482   3.512
   74    HB3  ARG  13           3HB      ARG  13   8.644   7.783   5.237
   75    HG2  ARG  13           2HG      ARG  13  10.914   8.885   3.942
   76    HG3  ARG  13           3HG      ARG  13   9.470   9.408   3.072
   77    HD2  ARG  13           2HD      ARG  13   8.514  10.320   5.059
   78    HD3  ARG  13           3HD      ARG  13   9.772   9.598   6.061
   79    HE   ARG  13           HE       ARG  13  11.137  11.213   4.349
   80   HH11  ARG  13          1HH1      ARG  13   8.491  11.685   6.562
   81   HH12  ARG  13          2HH1      ARG  13   8.895  13.336   6.898
   82   HH21  ARG  13          1HH2      ARG  13  11.679  13.386   4.783
   83   HH22  ARG  13          2HH2      ARG  13  10.708  14.303   5.884
   84    H    HIS  14           H        HIS  14   8.987   4.408   3.711
   85    HA   HIS  14           HA       HIS  14   7.641   3.711   6.060
   86    HB2  HIS  14           2HB      HIS  14   7.064   2.792   3.856
   87    HB3  HIS  14           3HB      HIS  14   8.582   1.899   3.827
   88    HD1  HIS  14           HD1      HIS  14   5.109   1.632   4.871
   89    HD2  HIS  14           HD2      HIS  14   8.712  -0.155   5.911
   90    HE1  HIS  14           HE1      HIS  14   4.486  -0.463   6.115
   91    H    CYS  15           H        CYS  15  10.791   2.660   4.819
   92    HA   CYS  15           HA       CYS  15  11.278   1.097   7.226
   93    HB2  CYS  15           2HB      CYS  15  12.982   1.534   4.764
   94    HB3  CYS  15           3HB      CYS  15  13.385   0.450   6.092
   95    H    VAL  16           H        VAL  16  12.458   4.007   5.620
   96    HA   VAL  16           HA       VAL  16  14.676   4.598   7.148
   97    HB   VAL  16           HB       VAL  16  12.635   6.549   6.073
   98   HG11  VAL  16          1HG1      VAL  16  14.006   7.632   7.730
   99   HG12  VAL  16          2HG1      VAL  16  15.473   6.976   7.000
  100   HG13  VAL  16          3HG1      VAL  16  14.508   8.169   6.128
  101   HG21  VAL  16          3HG2      VAL  16  13.473   6.187   4.043
  102   HG22  VAL  16          1HG2      VAL  16  15.126   6.369   4.631
  103   HG23  VAL  16          2HG2      VAL  16  14.329   4.798   4.713
  104    H    SER  17           H        SER  17  11.301   4.855   7.988
  105    HA   SER  17           HA       SER  17  11.665   6.510  10.283
  106    HB2  SER  17           2HB      SER  17   9.493   5.820   8.850
  107    HB3  SER  17           3HB      SER  17   9.336   4.671  10.178
  108    HG   SER  17           HG       SER  17   9.632   6.582  11.573
  109    H    LYS  18           H        LYS  18  11.580   3.043   9.710
  110    HA   LYS  18           HA       LYS  18  11.520   2.278  12.449
  111    HB2  LYS  18           2HB      LYS  18  12.095   0.885   9.865
  112    HB3  LYS  18           3HB      LYS  18  12.510   0.086  11.375
  113    HG2  LYS  18           2HG      LYS  18  10.423  -0.718  11.225
  114    HG3  LYS  18           3HG      LYS  18   9.980   0.846  11.914
  115    HD2  LYS  18           2HD      LYS  18   8.882   1.425  10.064
  116    HD3  LYS  18           3HD      LYS  18  10.270   1.026   9.048
  117    HE2  LYS  18           2HE      LYS  18   8.491  -0.359   8.326
  118    HE3  LYS  18           3HE      LYS  18   9.577  -1.389   9.257
  119    HZ1  LYS  18           3HZ      LYS  18   7.207  -0.108  10.480
  120    HZ2  LYS  18           1HZ      LYS  18   8.112  -1.415  11.062
  121    HZ3  LYS  18           2HZ      LYS  18   7.113  -1.612   9.712
  122    H    GLY  19           H        GLY  19  14.094   2.904  10.128
  123    HA2  GLY  19           2HA      GLY  19  16.089   3.875  11.433
  124    HA3  GLY  19           3HA      GLY  19  16.087   2.299  12.210
  125    H    TYR  20           H        TYR  20  15.191   1.196   9.483
  126    HA   TYR  20           HA       TYR  20  17.753   0.361   8.633
  127    HB2  TYR  20           2HB      TYR  20  15.029   0.153   7.349
  128    HB3  TYR  20           3HB      TYR  20  16.476  -0.558   6.643
  129    HD1  TYR  20           HD2      TYR  20  17.856  -2.092   8.317
  130    HD2  TYR  20           HD1      TYR  20  13.720  -1.173   8.712
  131    HE1  TYR  20           HE2      TYR  20  17.547  -4.103   9.699
  132    HE2  TYR  20           HE1      TYR  20  13.400  -3.181  10.096
  133    HH   TYR  20           HH       TYR  20  15.880  -5.576  10.460
  134    H    THR  21           H        THR  21  18.012   0.463   6.011
  135    HA   THR  21           HA       THR  21  18.868   3.125   5.510
  136    HB   THR  21           HB       THR  21  18.652   0.775   3.619
  137    HG1  THR  21           HG1      THR  21  20.152   0.336   5.204
  138   HG21  THR  21          3HG2      THR  21  19.919   3.489   3.316
  139   HG22  THR  21          1HG2      THR  21  18.746   2.707   2.257
  140   HG23  THR  21          2HG2      THR  21  20.402   2.104   2.338
  141    H    GLY  22           H        GLY  22  16.229   1.137   4.194
  142    HA2  GLY  22           2HA      GLY  22  14.230   2.888   3.995
  143    HA3  GLY  22           3HA      GLY  22  15.236   3.395   2.646
  144    H    GLY  23           H        GLY  23  12.498   2.168   2.807
  145    HA2  GLY  23           2HA      GLY  23  12.790  -0.457   1.647
  146    HA3  GLY  23           3HA      GLY  23  11.289   0.433   1.856
  147    H    ASN  24           H        ASN  24  13.798  -0.442  -0.304
  148    HA   ASN  24           HA       ASN  24  12.684   1.319  -2.383
  149    HB2  ASN  24           2HB      ASN  24  15.268  -0.156  -2.726
  150    HB3  ASN  24           3HB      ASN  24  14.755   1.374  -3.431
  151   HD21  ASN  24          1HD2      ASN  24  13.977   2.801  -1.265
  152   HD22  ASN  24          2HD2      ASN  24  15.322   3.074  -0.216
  153    H    CYS  25           H        CYS  25  12.357   0.445  -4.503
  154    HA   CYS  25           HA       CYS  25  11.552  -2.368  -4.415
  155    HB2  CYS  25           2HB      CYS  25  10.918  -0.348  -6.568
  156    HB3  CYS  25           3HB      CYS  25  10.122  -1.890  -6.274
  157    H    ARG  26           H        ARG  26  12.176  -3.859  -5.988
  158    HA   ARG  26           HA       ARG  26  14.160  -3.063  -7.964
  159    HB2  ARG  26           2HB      ARG  26  14.710  -4.993  -5.714
  160    HB3  ARG  26           3HB      ARG  26  15.640  -4.997  -7.206
  161    HG2  ARG  26           2HG      ARG  26  15.352  -2.604  -5.405
  162    HG3  ARG  26           3HG      ARG  26  16.697  -3.744  -5.341
  163    HD2  ARG  26           2HD      ARG  26  16.532  -3.069  -8.016
  164    HD3  ARG  26           3HD      ARG  26  16.194  -1.553  -7.181
  165    HE   ARG  26           HE       ARG  26  18.383  -2.463  -5.899
  166   HH11  ARG  26          1HH1      ARG  26  17.626  -2.017  -9.267
  167   HH12  ARG  26          2HH1      ARG  26  19.264  -1.694  -9.728
  168   HH21  ARG  26          1HH2      ARG  26  20.545  -2.040  -6.492
  169   HH22  ARG  26          2HH2      ARG  26  20.924  -1.708  -8.148
  170    H    GLY  27           H        GLY  27  14.898  -5.188  -9.175
  171    HA2  GLY  27           2HA      GLY  27  12.411  -6.483  -9.995
  172    HA3  GLY  27           3HA      GLY  27  13.930  -6.497 -10.878
  173    H    LYS  28           H        LYS  28  13.512  -7.300  -7.472
  174    HA   LYS  28           HA       LYS  28  15.075  -9.572  -7.495
  175    HB2  LYS  28           2HB      LYS  28  13.705 -10.237  -5.436
  176    HB3  LYS  28           3HB      LYS  28  14.535  -8.687  -5.386
  177    HG2  LYS  28           2HG      LYS  28  11.805  -8.546  -6.427
  178    HG3  LYS  28           3HG      LYS  28  11.920  -9.092  -4.752
  179    HD2  LYS  28           2HD      LYS  28  13.543  -6.737  -5.550
  180    HD3  LYS  28           3HD      LYS  28  11.798  -6.516  -5.399
  181    HE2  LYS  28           2HE      LYS  28  12.538  -6.020  -3.266
  182    HE3  LYS  28           3HE      LYS  28  12.104  -7.722  -3.120
  183    HZ1  LYS  28           3HZ      LYS  28  14.340  -8.363  -3.183
  184    HZ2  LYS  28           1HZ      LYS  28  14.315  -7.021  -2.153
  185    HZ3  LYS  28           2HZ      LYS  28  14.863  -6.856  -3.744
  186    H    ILE  29           H        ILE  29  11.714  -9.206  -8.377
  187    HA   ILE  29           HA       ILE  29  11.733 -11.846  -9.569
  188    HB   ILE  29           HB       ILE  29   9.482 -12.379  -8.488
  189   HG12  ILE  29          2HG1      ILE  29  10.509 -10.334  -6.508
  190   HG13  ILE  29          3HG1      ILE  29   9.064 -10.179  -7.501
  191   HG21  ILE  29          1HG2      ILE  29  11.756 -13.424  -8.004
  192   HG22  ILE  29          2HG2      ILE  29  11.779 -12.420  -6.556
  193   HG23  ILE  29          3HG2      ILE  29  10.504 -13.619  -6.777
  194   HD11  ILE  29          3HD1      ILE  29   9.539 -11.836  -5.083
  195   HD12  ILE  29          1HD1      ILE  29   8.155 -10.833  -5.515
  196   HD13  ILE  29          2HD1      ILE  29   8.384 -12.401  -6.290
  197    H    ARG  30           H        ARG  30   9.907  -8.912  -8.821
  198    HA   ARG  30           HA       ARG  30   9.245  -8.396 -11.500
  199    HB2  ARG  30           2HB      ARG  30   6.773  -8.776 -11.350
  200    HB3  ARG  30           3HB      ARG  30   7.733 -10.248 -11.394
  201    HG2  ARG  30           2HG      ARG  30   7.394 -10.657  -9.095
  202    HG3  ARG  30           3HG      ARG  30   6.751  -9.035  -8.829
  203    HD2  ARG  30           2HD      ARG  30   5.408 -10.932 -10.719
  204    HD3  ARG  30           3HD      ARG  30   5.109 -11.025  -8.984
  205    HE   ARG  30           HE       ARG  30   4.677  -8.420  -9.522
  206   HH11  ARG  30          1HH1      ARG  30   3.507 -11.361 -10.971
  207   HH12  ARG  30          2HH1      ARG  30   1.992 -10.674 -11.455
  208   HH21  ARG  30          1HH2      ARG  30   2.686  -7.504 -10.153
  209   HH22  ARG  30          2HH2      ARG  30   1.526  -8.480 -10.990
  210    H    GLN  31           H        GLN  31  10.313  -6.696  -9.863
  211    HA   GLN  31           HA       GLN  31  10.147  -4.601  -8.993
  212    HB2  GLN  31           2HB      GLN  31   8.553  -4.429 -11.017
  213    HB3  GLN  31           3HB      GLN  31   7.260  -4.531  -9.830
  214    HG2  GLN  31           2HG      GLN  31   7.505  -2.407  -9.236
  215    HG3  GLN  31           3HG      GLN  31   9.255  -2.564  -9.098
  216   HE21  GLN  31          1HE2      GLN  31   9.525  -0.512 -10.018
  217   HE22  GLN  31          2HE2      GLN  31   9.332  -0.249 -11.715
  218    H    THR  32           H        THR  32  10.331  -5.710  -6.913
  219    HA   THR  32           HA       THR  32   7.876  -5.409  -5.310
  220    HB   THR  32           HB       THR  32  10.076  -7.432  -4.849
  221    HG1  THR  32           HG1      THR  32   8.589  -7.831  -6.657
  222   HG21  THR  32          3HG2      THR  32   9.206  -6.960  -2.736
  223   HG22  THR  32          1HG2      THR  32   8.252  -8.346  -3.263
  224   HG23  THR  32          2HG2      THR  32   7.573  -6.721  -3.356
  225    H    CYS  33           H        CYS  33   8.083  -4.539  -3.244
  226    HA   CYS  33           HA       CYS  33  10.331  -2.772  -2.899
  227    HB2  CYS  33           2HB      CYS  33   7.675  -2.672  -2.174
  228    HB3  CYS  33           3HB      CYS  33   8.477  -3.005  -0.642
  229    H    HIS  34           H        HIS  34  11.693  -2.695  -1.046
  230    HA   HIS  34           HA       HIS  34  11.728  -4.872   0.828
  231    HB2  HIS  34           2HB      HIS  34  12.824  -5.764  -1.305
  232    HB3  HIS  34           3HB      HIS  34  14.135  -4.635  -0.973
  233    HD1  HIS  34           HD1      HIS  34  15.434  -5.039   1.337
  234    HD2  HIS  34           HD2      HIS  34  12.953  -8.123   0.072
  235    HE1  HIS  34           HE1      HIS  34  16.143  -7.057   2.659
  236    H    CYS  35           H        CYS  35  12.795  -4.340   2.671
  237    HA   CYS  35           HA       CYS  35  13.929  -1.647   2.779
  238    HB2  CYS  35           2HB      CYS  35  12.902  -3.550   4.877
  239    HB3  CYS  35           3HB      CYS  35  13.829  -2.115   5.305
  240    H    TYR  36           H        TYR  36  16.027  -1.242   3.128
  241    HA   TYR  36           HA       TYR  36  17.791  -3.547   3.627
  242    HB2  TYR  36           2HB      TYR  36  18.574  -0.937   2.326
  243    HB3  TYR  36           3HB      TYR  36  19.507  -2.428   2.385
  244    HD1  TYR  36           HD1      TYR  36  16.551  -0.800   0.888
  245    HD2  TYR  36           HD2      TYR  36  19.146  -4.171   0.800
  246    HE1  TYR  36           HE1      TYR  36  15.580  -1.483  -1.266
  247    HE2  TYR  36           HE2      TYR  36  18.183  -4.863  -1.356
  248    HH   TYR  36           HH       TYR  36  16.908  -3.418  -3.351
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -0.431   1.131   1.375
    2    HA2  GLY   1           2HA      GLY   1   1.644   2.189   0.804
    3    HA3  GLY   1           3HA      GLY   1   2.087   0.748  -0.100
    4    H    PHE   2           H        PHE   2   2.571   2.755  -1.557
    5    HA   PHE   2           HA       PHE   2   0.876   2.614  -3.772
    6    HB2  PHE   2           2HB      PHE   2   0.123   5.086  -3.685
    7    HB3  PHE   2           3HB      PHE   2  -0.777   3.907  -2.735
    8    HD1  PHE   2           HD2      PHE   2   2.256   6.044  -2.298
    9    HD2  PHE   2           HD1      PHE   2  -1.389   4.595  -0.644
   10    HE1  PHE   2           HE2      PHE   2   2.644   7.386  -0.273
   11    HE2  PHE   2           HE1      PHE   2  -1.006   5.936   1.383
   12    HZ   PHE   2           HZ       PHE   2   1.013   7.333   1.571
   13    H    GLY   3           H        GLY   3   3.670   2.572  -3.093
   14    HA2  GLY   3           2HA      GLY   3   4.602   4.454  -5.106
   15    HA3  GLY   3           3HA      GLY   3   5.271   4.673  -3.496
   16    H    CYS   4           H        CYS   4   6.424   3.804  -6.158
   17    HA   CYS   4           HA       CYS   4   8.377   2.063  -5.196
   18    HB2  CYS   4           2HB      CYS   4   5.945   0.737  -5.985
   19    HB3  CYS   4           3HB      CYS   4   7.260   0.261  -7.054
   20    HA   PRO   5           HA       PRO   5   8.758   2.288 -10.000
   21    HB2  PRO   5           2HB      PRO   5   6.675   3.354 -11.377
   22    HB3  PRO   5           3HB      PRO   5   6.798   1.631 -11.002
   23    HG2  PRO   5           2HG      PRO   5   5.221   3.764  -9.615
   24    HG3  PRO   5           3HG      PRO   5   4.738   2.111 -10.036
   25    HD2  PRO   5           2HD      PRO   5   5.522   2.809  -7.540
   26    HD3  PRO   5           3HD      PRO   5   5.824   1.197  -8.220
   27    H    TRP   6           H        TRP   6   6.688   4.909  -8.763
   28    HA   TRP   6           HA       TRP   6   8.728   6.827  -9.683
   29    HB2  TRP   6           2HB      TRP   6   6.491   8.359  -9.585
   30    HB3  TRP   6           3HB      TRP   6   7.073   7.561 -11.044
   31    HD1  TRP   6           HD1      TRP   6   5.606   5.630 -12.045
   32    HE1  TRP   6           HE1      TRP   6   3.269   4.706 -11.485
   33    HE3  TRP   6           HE3      TRP   6   4.888   7.921  -7.531
   34    HZ2  TRP   6           HZ2      TRP   6   1.373   4.922  -9.405
   35    HZ3  TRP   6           HZ3      TRP   6   2.786   7.510  -6.321
   36    HH2  TRP   6           HH2      TRP   6   1.065   6.042  -7.241
   37    H    ASN   7           H        ASN   7   6.346   5.989  -7.236
   38    HA   ASN   7           HA       ASN   7   7.194   8.185  -5.523
   39    HB2  ASN   7           2HB      ASN   7   4.897   6.357  -5.644
   40    HB3  ASN   7           3HB      ASN   7   5.476   6.670  -4.010
   41   HD21  ASN   7          1HD2      ASN   7   3.399   7.692  -3.724
   42   HD22  ASN   7          2HD2      ASN   7   3.179   9.329  -4.232
   43    H    ALA   8           H        ALA   8   9.401   7.360  -5.349
   44    HA   ALA   8           HA       ALA   8   9.852   4.890  -3.936
   45    HB1  ALA   8           1HB      ALA   8  11.398   5.894  -5.669
   46    HB2  ALA   8           2HB      ALA   8  11.879   7.054  -4.431
   47    HB3  ALA   8           3HB      ALA   8  12.157   5.331  -4.180
   48    H    TYR   9           H        TYR   9   9.548   8.266  -3.140
   49    HA   TYR   9           HA       TYR   9  10.817   8.321  -0.655
   50    HB2  TYR   9           2HB      TYR   9   9.165  10.055  -2.183
   51    HB3  TYR   9           3HB      TYR   9   8.484   9.973  -0.562
   52    HD1  TYR   9           HD2      TYR   9  11.782  10.416  -2.262
   53    HD2  TYR   9           HD1      TYR   9   9.303  11.413   1.050
   54    HE1  TYR   9           HE2      TYR   9  13.486  12.004  -1.472
   55    HE2  TYR   9           HE1      TYR   9  11.000  13.004   1.849
   56    HH   TYR   9           HH       TYR   9  13.067  13.791   1.562
   57    H    GLU  10           H        GLU  10   7.737   7.021  -1.612
   58    HA   GLU  10           HA       GLU  10   6.596   6.859   0.991
   59    HB2  GLU  10           2HB      GLU  10   5.190   6.800  -0.994
   60    HB3  GLU  10           3HB      GLU  10   5.975   5.323  -1.537
   61    HG2  GLU  10           2HG      GLU  10   3.774   4.907  -0.552
   62    HG3  GLU  10           3HG      GLU  10   5.068   4.102   0.334
   63    H    CYS  11           H        CYS  11   7.797   4.256  -1.137
   64    HA   CYS  11           HA       CYS  11   7.854   2.286   0.862
   65    HB2  CYS  11           2HB      CYS  11   8.041   2.118  -1.754
   66    HB3  CYS  11           3HB      CYS  11   9.771   2.206  -1.437
   67    H    ASP  12           H        ASP  12  10.141   4.752  -0.037
   68    HA   ASP  12           HA       ASP  12  12.392   3.633   1.306
   69    HB2  ASP  12           2HB      ASP  12  12.850   5.224  -0.399
   70    HB3  ASP  12           3HB      ASP  12  11.757   6.408   0.312
   71    H    ARG  13           H        ARG  13  10.446   6.513   2.122
   72    HA   ARG  13           HA       ARG  13  11.427   6.840   4.706
   73    HB2  ARG  13           2HB      ARG  13   8.747   7.580   3.526
   74    HB3  ARG  13           3HB      ARG  13   9.284   8.097   5.119
   75    HG2  ARG  13           2HG      ARG  13  11.282   8.692   3.136
   76    HG3  ARG  13           3HG      ARG  13   9.720   9.378   2.684
   77    HD2  ARG  13           2HD      ARG  13  10.674   9.691   5.489
   78    HD3  ARG  13           3HD      ARG  13  11.392  10.696   4.230
   79    HE   ARG  13           HE       ARG  13   8.522  10.704   4.198
   80   HH11  ARG  13          1HH1      ARG  13  11.365  12.134   5.609
   81   HH12  ARG  13          2HH1      ARG  13  10.573  13.619   6.022
   82   HH21  ARG  13          1HH2      ARG  13   7.468  12.653   4.736
   83   HH22  ARG  13          2HH2      ARG  13   8.355  13.913   5.525
   84    H    HIS  14           H        HIS  14   9.159   4.562   3.459
   85    HA   HIS  14           HA       HIS  14   7.663   3.936   5.721
   86    HB2  HIS  14           2HB      HIS  14   7.105   3.023   3.545
   87    HB3  HIS  14           3HB      HIS  14   8.621   2.128   3.493
   88    HD1  HIS  14           HD1      HIS  14   5.153   1.934   4.702
   89    HD2  HIS  14           HD2      HIS  14   8.727  -0.091   5.320
   90    HE1  HIS  14           HE1      HIS  14   4.517  -0.224   5.826
   91    H    CYS  15           H        CYS  15  10.825   2.715   4.687
   92    HA   CYS  15           HA       CYS  15  11.065   1.121   7.112
   93    HB2  CYS  15           2HB      CYS  15  12.989   1.480   4.804
   94    HB3  CYS  15           3HB      CYS  15  13.177   0.332   6.125
   95    H    VAL  16           H        VAL  16  12.363   4.042   5.673
   96    HA   VAL  16           HA       VAL  16  14.571   4.528   7.249
   97    HB   VAL  16           HB       VAL  16  12.562   6.583   6.315
   98   HG11  VAL  16          1HG1      VAL  16  15.278   6.767   7.518
   99   HG12  VAL  16          2HG1      VAL  16  14.823   7.933   6.274
  100   HG13  VAL  16          3HG1      VAL  16  13.867   7.798   7.751
  101   HG21  VAL  16          3HG2      VAL  16  14.900   6.533   4.719
  102   HG22  VAL  16          1HG2      VAL  16  14.308   4.877   4.852
  103   HG23  VAL  16          2HG2      VAL  16  13.245   6.148   4.247
  104    H    SER  17           H        SER  17  11.192   4.771   8.078
  105    HA   SER  17           HA       SER  17  11.605   6.252  10.497
  106    HB2  SER  17           2HB      SER  17   9.455   6.207   9.160
  107    HB3  SER  17           3HB      SER  17   9.193   4.577   9.780
  108    HG   SER  17           HG       SER  17   8.195   5.771  11.260
  109    H    LYS  18           H        LYS  18  11.302   2.861   9.628
  110    HA   LYS  18           HA       LYS  18  11.119   1.874  12.289
  111    HB2  LYS  18           2HB      LYS  18  11.672   0.663   9.609
  112    HB3  LYS  18           3HB      LYS  18  11.976  -0.285  11.058
  113    HG2  LYS  18           2HG      LYS  18   9.843  -0.914  10.797
  114    HG3  LYS  18           3HG      LYS  18   9.488   0.627  11.580
  115    HD2  LYS  18           2HD      LYS  18   8.541   1.444   9.731
  116    HD3  LYS  18           3HD      LYS  18   9.899   0.933   8.726
  117    HE2  LYS  18           2HE      LYS  18   8.091  -0.261   7.866
  118    HE3  LYS  18           3HE      LYS  18   8.895  -1.422   8.922
  119    HZ1  LYS  18           3HZ      LYS  18   6.317  -0.080   9.257
  120    HZ2  LYS  18           1HZ      LYS  18   7.208  -0.432  10.651
  121    HZ3  LYS  18           2HZ      LYS  18   6.755  -1.677   9.600
  122    H    GLY  19           H        GLY  19  13.788   2.510  10.080
  123    HA2  GLY  19           2HA      GLY  19  15.778   3.190  11.652
  124    HA3  GLY  19           3HA      GLY  19  15.705   1.477  12.039
  125    H    TYR  20           H        TYR  20  15.097   0.489   9.469
  126    HA   TYR  20           HA       TYR  20  17.605   0.091   8.390
  127    HB2  TYR  20           2HB      TYR  20  15.030   0.026   6.811
  128    HB3  TYR  20           3HB      TYR  20  16.508  -0.866   6.471
  129    HD1  TYR  20           HD1      TYR  20  17.276  -2.564   8.268
  130    HD2  TYR  20           HD2      TYR  20  13.339  -0.962   8.070
  131    HE1  TYR  20           HE1      TYR  20  16.446  -4.456   9.603
  132    HE2  TYR  20           HE2      TYR  20  12.498  -2.849   9.405
  133    HH   TYR  20           HH       TYR  20  14.577  -5.552  10.279
  134    H    THR  21           H        THR  21  18.374   0.709   6.193
  135    HA   THR  21           HA       THR  21  18.754   3.466   5.992
  136    HB   THR  21           HB       THR  21  20.243   1.735   4.978
  137    HG1  THR  21           HG1      THR  21  20.935   3.219   3.596
  138   HG21  THR  21          3HG2      THR  21  18.158   0.579   3.902
  139   HG22  THR  21          1HG2      THR  21  19.706   0.566   3.058
  140   HG23  THR  21          2HG2      THR  21  18.453   1.713   2.584
  141    H    GLY  22           H        GLY  22  16.301   1.391   4.614
  142    HA2  GLY  22           2HA      GLY  22  14.250   2.979   4.240
  143    HA3  GLY  22           3HA      GLY  22  15.285   3.583   2.954
  144    H    GLY  23           H        GLY  23  12.660   2.291   2.782
  145    HA2  GLY  23           2HA      GLY  23  13.211  -0.321   1.626
  146    HA3  GLY  23           3HA      GLY  23  11.631   0.426   1.813
  147    H    ASN  24           H        ASN  24  13.758  -0.606  -0.422
  148    HA   ASN  24           HA       ASN  24  12.834   1.368  -2.405
  149    HB2  ASN  24           2HB      ASN  24  15.342  -0.190  -2.868
  150    HB3  ASN  24           3HB      ASN  24  14.893   1.410  -3.453
  151   HD21  ASN  24          1HD2      ASN  24  14.261   2.757  -1.218
  152   HD22  ASN  24          2HD2      ASN  24  15.628   2.874  -0.168
  153    H    CYS  25           H        CYS  25  12.235   0.595  -4.442
  154    HA   CYS  25           HA       CYS  25  11.626  -2.280  -4.499
  155    HB2  CYS  25           2HB      CYS  25  10.392  -0.115  -6.207
  156    HB3  CYS  25           3HB      CYS  25   9.822  -1.768  -5.999
  157    H    ARG  26           H        ARG  26  12.243  -3.560  -6.188
  158    HA   ARG  26           HA       ARG  26  13.621  -2.340  -8.458
  159    HB2  ARG  26           2HB      ARG  26  14.876  -4.607  -6.912
  160    HB3  ARG  26           3HB      ARG  26  15.583  -3.683  -8.231
  161    HG2  ARG  26           2HG      ARG  26  15.189  -1.677  -6.550
  162    HG3  ARG  26           3HG      ARG  26  15.283  -2.983  -5.367
  163    HD2  ARG  26           2HD      ARG  26  17.388  -3.507  -7.070
  164    HD3  ARG  26           3HD      ARG  26  17.381  -1.747  -6.960
  165    HE   ARG  26           HE       ARG  26  17.159  -2.614  -4.374
  166   HH11  ARG  26          1HH1      ARG  26  19.420  -3.112  -6.974
  167   HH12  ARG  26          2HH1      ARG  26  20.780  -3.334  -5.924
  168   HH21  ARG  26          1HH2      ARG  26  18.942  -2.903  -2.981
  169   HH22  ARG  26          2HH2      ARG  26  20.507  -3.215  -3.652
  170    H    GLY  27           H        GLY  27  14.529  -4.509  -9.767
  171    HA2  GLY  27           2HA      GLY  27  12.035  -5.873 -10.451
  172    HA3  GLY  27           3HA      GLY  27  13.493  -5.823 -11.430
  173    H    LYS  28           H        LYS  28  13.607  -6.605  -8.036
  174    HA   LYS  28           HA       LYS  28  15.097  -8.911  -8.318
  175    HB2  LYS  28           2HB      LYS  28  14.204  -9.499  -6.009
  176    HB3  LYS  28           3HB      LYS  28  14.990  -7.934  -6.169
  177    HG2  LYS  28           2HG      LYS  28  12.206  -7.623  -6.698
  178    HG3  LYS  28           3HG      LYS  28  12.413  -8.504  -5.182
  179    HD2  LYS  28           2HD      LYS  28  13.736  -5.882  -5.882
  180    HD3  LYS  28           3HD      LYS  28  12.327  -6.072  -4.835
  181    HE2  LYS  28           2HE      LYS  28  15.124  -7.086  -4.361
  182    HE3  LYS  28           3HE      LYS  28  14.257  -5.856  -3.442
  183    HZ1  LYS  28           3HZ      LYS  28  12.677  -7.569  -2.750
  184    HZ2  LYS  28           1HZ      LYS  28  14.254  -7.948  -2.267
  185    HZ3  LYS  28           2HZ      LYS  28  13.562  -8.740  -3.591
  186    H    ILE  29           H        ILE  29  11.594  -8.532  -8.290
  187    HA   ILE  29           HA       ILE  29  11.300 -11.114  -9.565
  188    HB   ILE  29           HB       ILE  29   9.464 -11.755  -7.908
  189   HG12  ILE  29          2HG1      ILE  29  10.915 -10.392  -5.748
  190   HG13  ILE  29          3HG1      ILE  29  10.028  -9.303  -6.810
  191   HG21  ILE  29          1HG2      ILE  29  12.209 -11.835  -6.702
  192   HG22  ILE  29          2HG2      ILE  29  10.945 -13.063  -6.660
  193   HG23  ILE  29          3HG2      ILE  29  11.814 -12.743  -8.161
  194   HD11  ILE  29          3HD1      ILE  29   8.882 -10.271  -4.703
  195   HD12  ILE  29          1HD1      ILE  29   7.986 -10.182  -6.220
  196   HD13  ILE  29          2HD1      ILE  29   8.679 -11.716  -5.693
  197    H    ARG  30           H        ARG  30  10.769  -9.210 -11.069
  198    HA   ARG  30           HA       ARG  30   9.207  -8.161 -12.348
  199    HB2  ARG  30           2HB      ARG  30   7.118  -9.645 -10.756
  200    HB3  ARG  30           3HB      ARG  30   6.974  -9.009 -12.389
  201    HG2  ARG  30           2HG      ARG  30   7.585 -10.981 -13.177
  202    HG3  ARG  30           3HG      ARG  30   9.161 -10.779 -12.408
  203    HD2  ARG  30           2HD      ARG  30   8.388 -12.794 -11.538
  204    HD3  ARG  30           3HD      ARG  30   7.994 -11.626 -10.278
  205    HE   ARG  30           HE       ARG  30   5.854 -12.047 -12.141
  206   HH11  ARG  30          1HH1      ARG  30   7.393 -13.238  -9.254
  207   HH12  ARG  30          2HH1      ARG  30   5.967 -14.025  -8.662
  208   HH21  ARG  30          1HH2      ARG  30   3.971 -13.079 -11.372
  209   HH22  ARG  30          2HH2      ARG  30   4.022 -13.934  -9.868
  210    H    GLN  31           H        GLN  31  10.140  -6.520 -10.564
  211    HA   GLN  31           HA       GLN  31   9.741  -4.576  -9.451
  212    HB2  GLN  31           2HB      GLN  31   6.841  -4.898 -10.213
  213    HB3  GLN  31           3HB      GLN  31   7.698  -3.407  -9.845
  214    HG2  GLN  31           2HG      GLN  31   8.027  -3.144 -12.014
  215    HG3  GLN  31           3HG      GLN  31   9.099  -4.542 -11.967
  216   HE21  GLN  31          1HE2      GLN  31   5.656  -3.729 -12.177
  217   HE22  GLN  31          2HE2      GLN  31   5.250  -4.986 -13.290
  218    H    THR  32           H        THR  32  10.027  -4.828  -7.332
  219    HA   THR  32           HA       THR  32   7.746  -5.332  -5.642
  220    HB   THR  32           HB       THR  32  10.096  -7.232  -5.518
  221    HG1  THR  32           HG1      THR  32   7.370  -7.709  -6.212
  222   HG21  THR  32          3HG2      THR  32   9.435  -7.109  -3.319
  223   HG22  THR  32          1HG2      THR  32   8.347  -8.366  -3.905
  224   HG23  THR  32          2HG2      THR  32   7.768  -6.710  -3.729
  225    H    CYS  33           H        CYS  33   8.042  -4.627  -3.524
  226    HA   CYS  33           HA       CYS  33  10.253  -2.792  -3.168
  227    HB2  CYS  33           2HB      CYS  33   7.683  -2.568  -2.483
  228    HB3  CYS  33           3HB      CYS  33   8.282  -3.286  -0.991
  229    H    HIS  34           H        HIS  34  11.696  -2.812  -1.402
  230    HA   HIS  34           HA       HIS  34  11.783  -5.045   0.404
  231    HB2  HIS  34           2HB      HIS  34  12.797  -5.830  -1.842
  232    HB3  HIS  34           3HB      HIS  34  14.155  -4.787  -1.429
  233    HD1  HIS  34           HD1      HIS  34  12.185  -7.522   0.357
  234    HD2  HIS  34           HD2      HIS  34  16.081  -6.173  -0.157
  235    HE1  HIS  34           HE1      HIS  34  13.628  -9.126   1.649
  236    H    CYS  35           H        CYS  35  12.875  -4.546   2.230
  237    HA   CYS  35           HA       CYS  35  14.190  -1.923   2.299
  238    HB2  CYS  35           2HB      CYS  35  12.972  -3.624   4.479
  239    HB3  CYS  35           3HB      CYS  35  13.888  -2.154   4.796
  240    H    TYR  36           H        TYR  36  16.283  -1.684   2.868
  241    HA   TYR  36           HA       TYR  36  17.765  -3.739   4.213
  242    HB2  TYR  36           2HB      TYR  36  19.267  -4.352   2.474
  243    HB3  TYR  36           3HB      TYR  36  17.648  -4.526   1.806
  244    HD1  TYR  36           HD2      TYR  36  16.768  -2.734   0.271
  245    HD2  TYR  36           HD1      TYR  36  20.841  -2.889   1.493
  246    HE1  TYR  36           HE2      TYR  36  17.381  -1.266  -1.605
  247    HE2  TYR  36           HE1      TYR  36  21.465  -1.421  -0.379
  248    HH   TYR  36           HH       TYR  36  20.656  -0.025  -1.973
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -0.626   0.356   0.006
    2    HA2  GLY   1           2HA      GLY   1   1.868  -0.396  -1.380
    3    HA3  GLY   1           3HA      GLY   1   0.420  -1.378  -1.544
    4    H    PHE   2           H        PHE   2   1.907   1.700  -2.312
    5    HA   PHE   2           HA       PHE   2   0.444   1.866  -4.767
    6    HB2  PHE   2           2HB      PHE   2  -0.790   3.867  -4.377
    7    HB3  PHE   2           3HB      PHE   2  -1.170   2.781  -3.044
    8    HD1  PHE   2           HD2      PHE   2   0.552   3.054  -0.988
    9    HD2  PHE   2           HD1      PHE   2  -0.432   6.057  -3.839
   10    HE1  PHE   2           HE2      PHE   2   1.221   4.793   0.618
   11    HE2  PHE   2           HE1      PHE   2   0.237   7.802  -2.237
   12    HZ   PHE   2           HZ       PHE   2   1.063   7.170  -0.005
   13    H    GLY   3           H        GLY   3   3.207   1.817  -3.778
   14    HA2  GLY   3           2HA      GLY   3   4.209   3.985  -5.408
   15    HA3  GLY   3           3HA      GLY   3   4.618   4.121  -3.705
   16    H    CYS   4           H        CYS   4   6.229   3.616  -6.211
   17    HA   CYS   4           HA       CYS   4   8.195   1.980  -5.105
   18    HB2  CYS   4           2HB      CYS   4   6.056   0.516  -6.371
   19    HB3  CYS   4           3HB      CYS   4   7.565   0.258  -7.241
   20    HA   PRO   5           HA       PRO   5   9.234   2.688  -9.764
   21    HB2  PRO   5           2HB      PRO   5   7.269   3.682 -11.353
   22    HB3  PRO   5           3HB      PRO   5   7.517   1.950 -11.100
   23    HG2  PRO   5           2HG      PRO   5   5.543   3.790  -9.804
   24    HG3  PRO   5           3HG      PRO   5   5.301   2.146 -10.423
   25    HD2  PRO   5           2HD      PRO   5   5.642   2.676  -7.790
   26    HD3  PRO   5           3HD      PRO   5   6.206   1.169  -8.541
   27    H    TRP   6           H        TRP   6   6.723   4.987  -8.706
   28    HA   TRP   6           HA       TRP   6   8.667   7.160  -9.138
   29    HB2  TRP   6           2HB      TRP   6   6.298   8.467  -9.256
   30    HB3  TRP   6           3HB      TRP   6   7.144   7.847 -10.671
   31    HD1  TRP   6           HD1      TRP   6   6.010   5.902 -12.012
   32    HE1  TRP   6           HE1      TRP   6   3.726   4.727 -11.848
   33    HE3  TRP   6           HE3      TRP   6   4.500   7.695  -7.468
   34    HZ2  TRP   6           HZ2      TRP   6   1.570   4.580 -10.032
   35    HZ3  TRP   6           HZ3      TRP   6   2.314   6.988  -6.590
   36    HH2  TRP   6           HH2      TRP   6   0.880   5.463  -7.847
   37    H    ASN   7           H        ASN   7   6.127   5.834  -7.117
   38    HA   ASN   7           HA       ASN   7   6.457   7.952  -5.144
   39    HB2  ASN   7           2HB      ASN   7   4.424   5.938  -5.751
   40    HB3  ASN   7           3HB      ASN   7   4.761   6.078  -4.029
   41   HD21  ASN   7          1HD2      ASN   7   2.609   6.876  -3.818
   42   HD22  ASN   7          2HD2      ASN   7   2.252   8.528  -4.178
   43    H    ALA   8           H        ALA   8   8.570   5.930  -5.797
   44    HA   ALA   8           HA       ALA   8   8.899   3.975  -3.886
   45    HB1  ALA   8           1HB      ALA   8  11.453   4.965  -4.199
   46    HB2  ALA   8           2HB      ALA   8  10.671   3.759  -5.221
   47    HB3  ALA   8           3HB      ALA   8  10.635   5.461  -5.682
   48    H    TYR   9           H        TYR   9   9.309   7.435  -3.569
   49    HA   TYR   9           HA       TYR   9  10.802   7.603  -1.247
   50    HB2  TYR   9           2HB      TYR   9   9.139   9.350  -2.791
   51    HB3  TYR   9           3HB      TYR   9   8.782   9.589  -1.084
   52    HD1  TYR   9           HD1      TYR   9  11.580   9.499  -3.530
   53    HD2  TYR   9           HD2      TYR   9  10.216  10.861   0.263
   54    HE1  TYR   9           HE1      TYR   9  13.596  10.890  -3.312
   55    HE2  TYR   9           HE2      TYR   9  12.228  12.257   0.491
   56    HH   TYR   9           HH       TYR   9  14.005  13.294  -1.675
   57    H    GLU  10           H        GLU  10   7.486   6.652  -1.682
   58    HA   GLU  10           HA       GLU  10   6.612   6.999   0.986
   59    HB2  GLU  10           2HB      GLU  10   5.294   6.496  -1.248
   60    HB3  GLU  10           3HB      GLU  10   5.492   4.827  -0.733
   61    HG2  GLU  10           2HG      GLU  10   3.992   7.041   0.607
   62    HG3  GLU  10           3HG      GLU  10   3.418   5.450   0.112
   63    H    CYS  11           H        CYS  11   7.709   4.094  -0.763
   64    HA   CYS  11           HA       CYS  11   7.624   2.374   1.467
   65    HB2  CYS  11           2HB      CYS  11   7.843   1.861  -1.094
   66    HB3  CYS  11           3HB      CYS  11   9.572   1.957  -0.773
   67    H    ASP  12           H        ASP  12   9.942   4.712   0.412
   68    HA   ASP  12           HA       ASP  12  12.186   3.688   1.835
   69    HB2  ASP  12           2HB      ASP  12  12.733   5.166   0.097
   70    HB3  ASP  12           3HB      ASP  12  11.524   6.346   0.596
   71    H    ARG  13           H        ARG  13  10.195   6.582   2.478
   72    HA   ARG  13           HA       ARG  13  11.159   7.129   5.014
   73    HB2  ARG  13           2HB      ARG  13   8.466   7.632   3.760
   74    HB3  ARG  13           3HB      ARG  13   8.864   8.199   5.376
   75    HG2  ARG  13           2HG      ARG  13  10.991   9.037   3.796
   76    HG3  ARG  13           3HG      ARG  13   9.554   9.314   2.809
   77    HD2  ARG  13           2HD      ARG  13   8.564  10.677   4.481
   78    HD3  ARG  13           3HD      ARG  13   9.769  10.200   5.676
   79    HE   ARG  13           HE       ARG  13  10.022  12.251   3.691
   80   HH11  ARG  13          1HH1      ARG  13  11.769   9.965   5.652
   81   HH12  ARG  13          2HH1      ARG  13  13.245  10.872   5.625
   82   HH21  ARG  13          1HH2      ARG  13  11.960  13.454   3.649
   83   HH22  ARG  13          2HH2      ARG  13  13.352  12.857   4.486
   84    H    HIS  14           H        HIS  14   8.894   4.704   3.980
   85    HA   HIS  14           HA       HIS  14   7.655   4.144   6.440
   86    HB2  HIS  14           2HB      HIS  14   6.737   3.267   4.387
   87    HB3  HIS  14           3HB      HIS  14   8.211   2.360   4.063
   88    HD1  HIS  14           HD1      HIS  14   5.350   2.433   6.549
   89    HD2  HIS  14           HD2      HIS  14   8.228  -0.173   5.070
   90    HE1  HIS  14           HE1      HIS  14   4.790   0.186   7.529
   91    H    CYS  15           H        CYS  15  10.646   2.957   4.988
   92    HA   CYS  15           HA       CYS  15  11.166   1.238   7.279
   93    HB2  CYS  15           2HB      CYS  15  11.864   1.140   4.569
   94    HB3  CYS  15           3HB      CYS  15  13.370   1.480   5.415
   95    H    VAL  16           H        VAL  16  12.181   4.292   5.936
   96    HA   VAL  16           HA       VAL  16  14.575   4.672   7.332
   97    HB   VAL  16           HB       VAL  16  12.552   6.751   6.486
   98   HG11  VAL  16          1HG1      VAL  16  15.270   6.935   7.674
   99   HG12  VAL  16          2HG1      VAL  16  14.827   8.097   6.421
  100   HG13  VAL  16          3HG1      VAL  16  13.866   7.977   7.896
  101   HG21  VAL  16          3HG2      VAL  16  13.200   6.316   4.406
  102   HG22  VAL  16          1HG2      VAL  16  14.853   6.744   4.849
  103   HG23  VAL  16          2HG2      VAL  16  14.308   5.072   4.987
  104    H    SER  17           H        SER  17  11.284   4.807   8.389
  105    HA   SER  17           HA       SER  17  11.817   6.330  10.772
  106    HB2  SER  17           2HB      SER  17   9.434   5.325  11.334
  107    HB3  SER  17           3HB      SER  17   9.613   6.613  10.142
  108    HG   SER  17           HG       SER  17   8.403   4.462   9.676
  109    H    LYS  18           H        LYS  18  11.557   2.943   9.898
  110    HA   LYS  18           HA       LYS  18  11.487   1.905  12.534
  111    HB2  LYS  18           2HB      LYS  18  12.039   0.790   9.820
  112    HB3  LYS  18           3HB      LYS  18  12.488  -0.168  11.225
  113    HG2  LYS  18           2HG      LYS  18  10.395  -0.961  10.973
  114    HG3  LYS  18           3HG      LYS  18   9.986   0.469  11.923
  115    HD2  LYS  18           2HD      LYS  18   8.923   1.443  10.204
  116    HD3  LYS  18           3HD      LYS  18  10.176   0.979   9.050
  117    HE2  LYS  18           2HE      LYS  18   8.417  -0.259   8.265
  118    HE3  LYS  18           3HE      LYS  18   9.138  -1.413   9.385
  119    HZ1  LYS  18           3HZ      LYS  18   6.872   0.386  10.051
  120    HZ2  LYS  18           1HZ      LYS  18   7.518  -0.827  11.036
  121    HZ3  LYS  18           2HZ      LYS  18   6.710  -1.238   9.609
  122    H    GLY  19           H        GLY  19  14.108   2.664  10.294
  123    HA2  GLY  19           2HA      GLY  19  16.080   3.465  11.817
  124    HA3  GLY  19           3HA      GLY  19  16.079   1.767  12.271
  125    H    TYR  20           H        TYR  20  15.296   0.968   9.516
  126    HA   TYR  20           HA       TYR  20  17.883   0.516   8.495
  127    HB2  TYR  20           2HB      TYR  20  15.244   0.296   7.033
  128    HB3  TYR  20           3HB      TYR  20  16.760  -0.465   6.566
  129    HD1  TYR  20           HD2      TYR  20  17.744  -2.230   8.087
  130    HD2  TYR  20           HD1      TYR  20  13.786  -0.745   8.563
  131    HE1  TYR  20           HE2      TYR  20  17.170  -4.209   9.431
  132    HE2  TYR  20           HE1      TYR  20  13.200  -2.719   9.909
  133    HH   TYR  20           HH       TYR  20  15.476  -5.379  10.355
  134    H    THR  21           H        THR  21  18.526   1.088   6.217
  135    HA   THR  21           HA       THR  21  18.819   3.862   5.967
  136    HB   THR  21           HB       THR  21  20.353   2.171   4.956
  137    HG1  THR  21           HG1      THR  21  20.297   4.402   4.256
  138   HG21  THR  21          3HG2      THR  21  18.447   2.009   2.647
  139   HG22  THR  21          1HG2      THR  21  18.343   0.860   3.980
  140   HG23  THR  21          2HG2      THR  21  19.823   0.974   3.028
  141    H    GLY  22           H        GLY  22  16.419   1.665   4.690
  142    HA2  GLY  22           2HA      GLY  22  14.303   3.177   4.332
  143    HA3  GLY  22           3HA      GLY  22  15.284   3.771   3.000
  144    H    GLY  23           H        GLY  23  12.687   2.281   3.093
  145    HA2  GLY  23           2HA      GLY  23  13.338  -0.287   1.901
  146    HA3  GLY  23           3HA      GLY  23  11.727   0.345   2.205
  147    H    ASN  24           H        ASN  24  13.922  -0.417  -0.158
  148    HA   ASN  24           HA       ASN  24  12.642   1.406  -2.087
  149    HB2  ASN  24           2HB      ASN  24  15.238   0.043  -2.688
  150    HB3  ASN  24           3HB      ASN  24  14.615   1.576  -3.292
  151   HD21  ASN  24          1HD2      ASN  24  13.991   2.922  -1.041
  152   HD22  ASN  24          2HD2      ASN  24  15.408   3.202  -0.093
  153    H    CYS  25           H        CYS  25  12.267   0.547  -4.236
  154    HA   CYS  25           HA       CYS  25  11.567  -2.301  -4.132
  155    HB2  CYS  25           2HB      CYS  25  10.615  -0.161  -6.048
  156    HB3  CYS  25           3HB      CYS  25  10.023  -1.817  -5.966
  157    H    ARG  26           H        ARG  26  12.173  -3.732  -5.743
  158    HA   ARG  26           HA       ARG  26  13.919  -2.774  -7.877
  159    HB2  ARG  26           2HB      ARG  26  14.734  -4.740  -5.744
  160    HB3  ARG  26           3HB      ARG  26  15.529  -4.677  -7.311
  161    HG2  ARG  26           2HG      ARG  26  15.667  -2.083  -6.617
  162    HG3  ARG  26           3HG      ARG  26  15.700  -2.837  -5.021
  163    HD2  ARG  26           2HD      ARG  26  17.661  -4.012  -5.486
  164    HD3  ARG  26           3HD      ARG  26  17.473  -3.818  -7.228
  165    HE   ARG  26           HE       ARG  26  17.769  -1.280  -6.112
  166   HH11  ARG  26          1HH1      ARG  26  19.620  -4.197  -6.540
  167   HH12  ARG  26          2HH1      ARG  26  21.146  -3.377  -6.590
  168   HH21  ARG  26          1HH2      ARG  26  19.771  -0.189  -6.176
  169   HH22  ARG  26          2HH2      ARG  26  21.230  -1.097  -6.382
  170    H    GLY  27           H        GLY  27  14.648  -4.836  -9.210
  171    HA2  GLY  27           2HA      GLY  27  12.154  -6.198  -9.888
  172    HA3  GLY  27           3HA      GLY  27  13.606  -6.133 -10.876
  173    H    LYS  28           H        LYS  28  13.391  -7.067  -7.478
  174    HA   LYS  28           HA       LYS  28  15.055  -9.260  -7.651
  175    HB2  LYS  28           2HB      LYS  28  13.808 -10.063  -5.565
  176    HB3  LYS  28           3HB      LYS  28  14.566  -8.478  -5.490
  177    HG2  LYS  28           2HG      LYS  28  11.792  -8.426  -6.412
  178    HG3  LYS  28           3HG      LYS  28  12.001  -9.032  -4.767
  179    HD2  LYS  28           2HD      LYS  28  13.485  -6.575  -5.525
  180    HD3  LYS  28           3HD      LYS  28  11.739  -6.439  -5.307
  181    HE2  LYS  28           2HE      LYS  28  12.464  -6.019  -3.173
  182    HE3  LYS  28           3HE      LYS  28  12.231  -7.765  -3.097
  183    HZ1  LYS  28           3HZ      LYS  28  14.375  -8.055  -2.676
  184    HZ2  LYS  28           1HZ      LYS  28  14.538  -6.378  -2.526
  185    HZ3  LYS  28           2HZ      LYS  28  14.842  -7.127  -4.011
  186    H    ILE  29           H        ILE  29  11.616  -9.041  -8.300
  187    HA   ILE  29           HA       ILE  29  11.710 -11.628  -9.616
  188    HB   ILE  29           HB       ILE  29   9.662 -12.438  -8.477
  189   HG12  ILE  29          2HG1      ILE  29   9.593 -11.194  -6.051
  190   HG13  ILE  29          3HG1      ILE  29   9.962  -9.840  -7.113
  191   HG21  ILE  29          1HG2      ILE  29  10.772 -13.207  -6.456
  192   HG22  ILE  29          2HG2      ILE  29  11.887 -13.232  -7.821
  193   HG23  ILE  29          3HG2      ILE  29  11.988 -11.942  -6.624
  194   HD11  ILE  29          3HD1      ILE  29   7.917 -11.207  -8.400
  195   HD12  ILE  29          1HD1      ILE  29   7.475 -11.227  -6.693
  196   HD13  ILE  29          2HD1      ILE  29   7.790  -9.693  -7.505
  197    H    ARG  30           H        ARG  30   9.836  -8.775  -8.717
  198    HA   ARG  30           HA       ARG  30   9.014  -8.236 -11.347
  199    HB2  ARG  30           2HB      ARG  30   7.592 -10.326 -10.535
  200    HB3  ARG  30           3HB      ARG  30   6.629  -9.073  -9.764
  201    HG2  ARG  30           2HG      ARG  30   5.576  -9.362 -11.800
  202    HG3  ARG  30           3HG      ARG  30   6.613  -7.964 -12.090
  203    HD2  ARG  30           2HD      ARG  30   7.660  -9.034 -13.731
  204    HD3  ARG  30           3HD      ARG  30   8.072 -10.359 -12.644
  205    HE   ARG  30           HE       ARG  30   5.384 -10.581 -13.492
  206   HH11  ARG  30          1HH1      ARG  30   8.653 -10.993 -14.618
  207   HH12  ARG  30          2HH1      ARG  30   8.236 -12.201 -15.788
  208   HH21  ARG  30          1HH2      ARG  30   4.823 -12.170 -15.030
  209   HH22  ARG  30          2HH2      ARG  30   6.057 -12.869 -16.022
  210    H    GLN  31           H        GLN  31  10.128  -6.551  -9.701
  211    HA   GLN  31           HA       GLN  31   9.956  -4.480  -8.778
  212    HB2  GLN  31           2HB      GLN  31   8.314  -4.268 -10.743
  213    HB3  GLN  31           3HB      GLN  31   7.045  -4.463  -9.541
  214    HG2  GLN  31           2HG      GLN  31   8.326  -2.518  -8.337
  215    HG3  GLN  31           3HG      GLN  31   8.929  -2.203  -9.963
  216   HE21  GLN  31          1HE2      GLN  31   5.916  -2.795  -8.199
  217   HE22  GLN  31          2HE2      GLN  31   4.951  -1.711  -9.135
  218    H    THR  32           H        THR  32  10.239  -5.571  -6.719
  219    HA   THR  32           HA       THR  32   7.831  -5.363  -5.033
  220    HB   THR  32           HB       THR  32  10.073  -7.359  -4.663
  221    HG1  THR  32           HG1      THR  32   8.391  -8.870  -5.260
  222   HG21  THR  32          3HG2      THR  32   8.208  -8.332  -3.111
  223   HG22  THR  32          1HG2      THR  32   7.613  -6.673  -3.108
  224   HG23  THR  32          2HG2      THR  32   9.242  -7.027  -2.531
  225    H    CYS  33           H        CYS  33   8.111  -4.567  -2.936
  226    HA   CYS  33           HA       CYS  33  10.328  -2.752  -2.639
  227    HB2  CYS  33           2HB      CYS  33   7.678  -2.910  -1.666
  228    HB3  CYS  33           3HB      CYS  33   8.732  -2.964  -0.257
  229    H    HIS  34           H        HIS  34  11.768  -2.695  -0.843
  230    HA   HIS  34           HA       HIS  34  11.947  -4.931   0.952
  231    HB2  HIS  34           2HB      HIS  34  12.971  -5.723  -1.253
  232    HB3  HIS  34           3HB      HIS  34  14.260  -4.563  -0.947
  233    HD1  HIS  34           HD1      HIS  34  16.178  -6.056  -0.385
  234    HD2  HIS  34           HD2      HIS  34  12.736  -7.050   1.719
  235    HE1  HIS  34           HE1      HIS  34  16.883  -7.820   1.263
  236    H    CYS  35           H        CYS  35  13.300  -4.541   2.697
  237    HA   CYS  35           HA       CYS  35  14.188  -1.766   2.941
  238    HB2  CYS  35           2HB      CYS  35  13.498  -3.931   4.896
  239    HB3  CYS  35           3HB      CYS  35  14.514  -2.588   5.409
  240    H    TYR  36           H        TYR  36  16.270  -1.176   3.133
  241    HA   TYR  36           HA       TYR  36  18.285  -3.325   3.222
  242    HB2  TYR  36           2HB      TYR  36  18.647  -0.619   1.932
  243    HB3  TYR  36           3HB      TYR  36  19.707  -2.019   1.805
  244    HD1  TYR  36           HD2      TYR  36  16.444  -0.629   0.783
  245    HD2  TYR  36           HD1      TYR  36  19.286  -3.744   0.214
  246    HE1  TYR  36           HE2      TYR  36  15.250  -1.340  -1.246
  247    HE2  TYR  36           HE1      TYR  36  18.100  -4.462  -1.818
  248    HH   TYR  36           HH       TYR  36  16.114  -4.273  -2.955
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   2.202  -2.680  -3.549
    2    HA2  GLY   1           2HA      GLY   1   1.554  -0.570  -2.095
    3    HA3  GLY   1           3HA      GLY   1   3.132  -0.643  -2.866
    4    H    PHE   2           H        PHE   2   1.690   1.732  -2.216
    5    HA   PHE   2           HA       PHE   2   0.845   2.742  -4.836
    6    HB2  PHE   2           2HB      PHE   2   0.637   4.181  -2.192
    7    HB3  PHE   2           3HB      PHE   2  -0.221   4.540  -3.686
    8    HD1  PHE   2           HD2      PHE   2   0.011   2.240  -0.832
    9    HD2  PHE   2           HD1      PHE   2  -2.194   3.348  -4.300
   10    HE1  PHE   2           HE2      PHE   2  -1.862   0.830  -0.088
   11    HE2  PHE   2           HE1      PHE   2  -4.071   1.940  -3.561
   12    HZ   PHE   2           HZ       PHE   2  -3.906   0.677  -1.453
   13    H    GLY   3           H        GLY   3   3.451   2.345  -4.930
   14    HA2  GLY   3           2HA      GLY   3   4.637   4.638  -5.729
   15    HA3  GLY   3           3HA      GLY   3   4.942   4.641  -3.998
   16    H    CYS   4           H        CYS   4   6.700   4.335  -6.442
   17    HA   CYS   4           HA       CYS   4   8.614   2.632  -5.348
   18    HB2  CYS   4           2HB      CYS   4   6.563   1.252  -6.835
   19    HB3  CYS   4           3HB      CYS   4   8.120   1.066  -7.635
   20    HA   PRO   5           HA       PRO   5   9.905   3.681  -9.878
   21    HB2  PRO   5           2HB      PRO   5   8.023   4.780 -11.498
   22    HB3  PRO   5           3HB      PRO   5   8.271   3.035 -11.358
   23    HG2  PRO   5           2HG      PRO   5   6.213   4.768 -10.045
   24    HG3  PRO   5           3HG      PRO   5   6.019   3.172 -10.794
   25    HD2  PRO   5           2HD      PRO   5   6.210   3.510  -8.114
   26    HD3  PRO   5           3HD      PRO   5   6.826   2.065  -8.940
   27    H    TRP   6           H        TRP   6   7.321   5.886  -8.797
   28    HA   TRP   6           HA       TRP   6   9.267   8.094  -8.963
   29    HB2  TRP   6           2HB      TRP   6   6.897   9.396  -9.114
   30    HB3  TRP   6           3HB      TRP   6   7.822   8.883 -10.523
   31    HD1  TRP   6           HD1      TRP   6   6.777   7.035 -12.058
   32    HE1  TRP   6           HE1      TRP   6   4.496   5.843 -12.102
   33    HE3  TRP   6           HE3      TRP   6   5.013   8.491  -7.486
   34    HZ2  TRP   6           HZ2      TRP   6   2.247   5.558 -10.420
   35    HZ3  TRP   6           HZ3      TRP   6   2.787   7.716  -6.779
   36    HH2  TRP   6           HH2      TRP   6   1.434   6.280  -8.217
   37    H    ASN   7           H        ASN   7   6.635   6.611  -7.184
   38    HA   ASN   7           HA       ASN   7   6.839   8.581  -5.047
   39    HB2  ASN   7           2HB      ASN   7   4.859   6.610  -5.910
   40    HB3  ASN   7           3HB      ASN   7   5.104   6.618  -4.166
   41   HD21  ASN   7          1HD2      ASN   7   2.947   7.391  -3.988
   42   HD22  ASN   7          2HD2      ASN   7   2.592   9.063  -4.245
   43    H    ALA   8           H        ALA   8   8.991   6.599  -5.741
   44    HA   ALA   8           HA       ALA   8   9.229   4.526  -3.944
   45    HB1  ALA   8           1HB      ALA   8  11.075   4.367  -5.174
   46    HB2  ALA   8           2HB      ALA   8  11.027   6.079  -5.596
   47    HB3  ALA   8           3HB      ALA   8  11.796   5.562  -4.096
   48    H    TYR   9           H        TYR   9   9.651   7.959  -3.401
   49    HA   TYR   9           HA       TYR   9  11.034   7.967  -1.005
   50    HB2  TYR   9           2HB      TYR   9   9.761   9.864  -2.562
   51    HB3  TYR   9           3HB      TYR   9   8.856   9.916  -1.053
   52    HD1  TYR   9           HD2      TYR   9  10.944   9.387   0.939
   53    HD2  TYR   9           HD1      TYR   9  11.069  11.786  -2.572
   54    HE1  TYR   9           HE2      TYR   9  12.708  10.769   1.953
   55    HE2  TYR   9           HE1      TYR   9  12.834  13.174  -1.569
   56    HH   TYR   9           HH       TYR   9  13.666  12.976   1.745
   57    H    GLU  10           H        GLU  10   7.734   7.088  -1.654
   58    HA   GLU  10           HA       GLU  10   6.761   7.277   1.006
   59    HB2  GLU  10           2HB      GLU  10   5.172   7.240  -0.778
   60    HB3  GLU  10           3HB      GLU  10   5.814   5.726  -1.402
   61    HG2  GLU  10           2HG      GLU  10   3.625   5.611  -0.142
   62    HG3  GLU  10           3HG      GLU  10   4.884   4.479   0.346
   63    H    CYS  11           H        CYS  11   7.956   4.543  -0.929
   64    HA   CYS  11           HA       CYS  11   7.727   2.667   1.212
   65    HB2  CYS  11           2HB      CYS  11   7.818   2.270  -1.374
   66    HB3  CYS  11           3HB      CYS  11   9.560   2.259  -1.125
   67    H    ASP  12           H        ASP  12  10.141   4.918   0.181
   68    HA   ASP  12           HA       ASP  12  12.365   3.692   1.474
   69    HB2  ASP  12           2HB      ASP  12  12.825   5.238  -0.289
   70    HB3  ASP  12           3HB      ASP  12  11.872   6.501   0.485
   71    H    ARG  13           H        ARG  13  10.420   6.562   2.318
   72    HA   ARG  13           HA       ARG  13  11.552   6.998   4.833
   73    HB2  ARG  13           2HB      ARG  13   8.867   7.688   3.662
   74    HB3  ARG  13           3HB      ARG  13   9.288   8.127   5.312
   75    HG2  ARG  13           2HG      ARG  13  11.429   8.941   3.662
   76    HG3  ARG  13           3HG      ARG  13   9.931   9.462   2.886
   77    HD2  ARG  13           2HD      ARG  13  10.334   9.911   5.813
   78    HD3  ARG  13           3HD      ARG  13  11.090  10.994   4.646
   79    HE   ARG  13           HE       ARG  13   8.420  10.778   3.933
   80   HH11  ARG  13          1HH1      ARG  13  10.288  11.929   6.636
   81   HH12  ARG  13          2HH1      ARG  13   9.124  13.127   7.098
   82   HH21  ARG  13          1HH2      ARG  13   6.880  12.352   4.531
   83   HH22  ARG  13          2HH2      ARG  13   7.186  13.366   5.900
   84    H    HIS  14           H        HIS  14   9.320   4.608   3.769
   85    HA   HIS  14           HA       HIS  14   7.968   4.019   6.146
   86    HB2  HIS  14           2HB      HIS  14   7.298   3.079   3.993
   87    HB3  HIS  14           3HB      HIS  14   8.794   2.154   3.911
   88    HD1  HIS  14           HD1      HIS  14   5.412   2.158   5.443
   89    HD2  HIS  14           HD2      HIS  14   8.899  -0.092   5.634
   90    HE1  HIS  14           HE1      HIS  14   4.776   0.031   6.623
   91    H    CYS  15           H        CYS  15  11.062   2.825   4.898
   92    HA   CYS  15           HA       CYS  15  11.503   1.268   7.319
   93    HB2  CYS  15           2HB      CYS  15  13.193   1.613   4.833
   94    HB3  CYS  15           3HB      CYS  15  13.587   0.545   6.176
   95    H    VAL  16           H        VAL  16  12.738   4.140   5.700
   96    HA   VAL  16           HA       VAL  16  15.008   4.666   7.175
   97    HB   VAL  16           HB       VAL  16  12.990   6.681   6.175
   98   HG11  VAL  16          1HG1      VAL  16  14.273   8.009   7.507
   99   HG12  VAL  16          2HG1      VAL  16  15.676   6.943   7.410
  100   HG13  VAL  16          3HG1      VAL  16  15.284   8.011   6.062
  101   HG21  VAL  16          3HG2      VAL  16  14.506   4.887   4.721
  102   HG22  VAL  16          1HG2      VAL  16  13.789   6.380   4.113
  103   HG23  VAL  16          2HG2      VAL  16  15.461   6.370   4.675
  104    H    SER  17           H        SER  17  11.662   4.998   8.103
  105    HA   SER  17           HA       SER  17  12.129   6.623  10.402
  106    HB2  SER  17           2HB      SER  17   9.915   6.190   9.068
  107    HB3  SER  17           3HB      SER  17   9.750   4.813  10.157
  108    HG   SER  17           HG       SER  17  10.179   7.479  11.023
  109    H    LYS  18           H        LYS  18  11.923   3.166   9.800
  110    HA   LYS  18           HA       LYS  18  11.898   2.369  12.527
  111    HB2  LYS  18           2HB      LYS  18  12.399   0.996   9.917
  112    HB3  LYS  18           3HB      LYS  18  12.819   0.169  11.411
  113    HG2  LYS  18           2HG      LYS  18  10.712  -0.583  11.293
  114    HG3  LYS  18           3HG      LYS  18  10.314   0.987  11.994
  115    HD2  LYS  18           2HD      LYS  18   9.087   1.456  10.202
  116    HD3  LYS  18           3HD      LYS  18  10.534   1.347   9.197
  117    HE2  LYS  18           2HE      LYS  18   8.646  -0.890   9.919
  118    HE3  LYS  18           3HE      LYS  18   8.856  -0.149   8.333
  119    HZ1  LYS  18           3HZ      LYS  18  10.412  -1.648   7.920
  120    HZ2  LYS  18           1HZ      LYS  18  10.288  -2.285   9.482
  121    HZ3  LYS  18           2HZ      LYS  18  11.360  -1.014   9.170
  122    H    GLY  19           H        GLY  19  14.452   2.951  10.169
  123    HA2  GLY  19           2HA      GLY  19  16.486   3.861  11.472
  124    HA3  GLY  19           3HA      GLY  19  16.464   2.264  12.204
  125    H    TYR  20           H        TYR  20  15.502   1.248   9.470
  126    HA   TYR  20           HA       TYR  20  18.039   0.405   8.548
  127    HB2  TYR  20           2HB      TYR  20  15.291   0.244   7.305
  128    HB3  TYR  20           3HB      TYR  20  16.721  -0.489   6.587
  129    HD1  TYR  20           HD2      TYR  20  18.091  -2.037   8.271
  130    HD2  TYR  20           HD1      TYR  20  13.963  -1.079   8.648
  131    HE1  TYR  20           HE2      TYR  20  17.756  -4.047   9.648
  132    HE2  TYR  20           HE1      TYR  20  13.617  -3.086  10.026
  133    HH   TYR  20           HH       TYR  20  16.217  -5.410  10.573
  134    H    THR  21           H        THR  21  18.226   0.553   5.919
  135    HA   THR  21           HA       THR  21  19.062   3.236   5.450
  136    HB   THR  21           HB       THR  21  18.876   0.894   3.547
  137    HG1  THR  21           HG1      THR  21  20.949   0.516   4.114
  138   HG21  THR  21          3HG2      THR  21  20.053   3.645   3.237
  139   HG22  THR  21          1HG2      THR  21  18.917   2.812   2.177
  140   HG23  THR  21          2HG2      THR  21  20.595   2.278   2.264
  141    H    GLY  22           H        GLY  22  16.402   1.235   4.222
  142    HA2  GLY  22           2HA      GLY  22  14.409   2.987   4.022
  143    HA3  GLY  22           3HA      GLY  22  15.384   3.458   2.638
  144    H    GLY  23           H        GLY  23  12.649   2.269   2.860
  145    HA2  GLY  23           2HA      GLY  23  12.900  -0.393   1.770
  146    HA3  GLY  23           3HA      GLY  23  11.410   0.514   1.982
  147    H    ASN  24           H        ASN  24  13.820  -0.491  -0.208
  148    HA   ASN  24           HA       ASN  24  12.719   1.257  -2.306
  149    HB2  ASN  24           2HB      ASN  24  15.252  -0.304  -2.662
  150    HB3  ASN  24           3HB      ASN  24  14.766   1.217  -3.406
  151   HD21  ASN  24          1HD2      ASN  24  14.069   2.723  -1.257
  152   HD22  ASN  24          2HD2      ASN  24  15.447   2.995  -0.252
  153    H    CYS  25           H        CYS  25  12.351   0.331  -4.408
  154    HA   CYS  25           HA       CYS  25  11.451  -2.451  -4.221
  155    HB2  CYS  25           2HB      CYS  25  10.838  -0.472  -6.418
  156    HB3  CYS  25           3HB      CYS  25  10.000  -1.980  -6.066
  157    H    ARG  26           H        ARG  26  11.988  -3.999  -5.776
  158    HA   ARG  26           HA       ARG  26  13.964  -3.320  -7.803
  159    HB2  ARG  26           2HB      ARG  26  14.490  -5.290  -5.573
  160    HB3  ARG  26           3HB      ARG  26  15.444  -5.205  -7.048
  161    HG2  ARG  26           2HG      ARG  26  15.091  -2.898  -5.151
  162    HG3  ARG  26           3HG      ARG  26  16.439  -4.035  -5.087
  163    HD2  ARG  26           2HD      ARG  26  16.506  -3.337  -7.695
  164    HD3  ARG  26           3HD      ARG  26  15.885  -1.848  -6.982
  165    HE   ARG  26           HE       ARG  26  18.538  -2.928  -6.712
  166   HH11  ARG  26          1HH1      ARG  26  16.132  -0.835  -5.315
  167   HH12  ARG  26          2HH1      ARG  26  17.283   0.122  -4.443
  168   HH21  ARG  26          1HH2      ARG  26  20.063  -1.675  -5.569
  169   HH22  ARG  26          2HH2      ARG  26  19.519  -0.356  -4.589
  170    H    GLY  27           H        GLY  27  14.598  -5.479  -8.991
  171    HA2  GLY  27           2HA      GLY  27  12.057  -6.719  -9.723
  172    HA3  GLY  27           3HA      GLY  27  13.555  -6.798 -10.639
  173    H    LYS  28           H        LYS  28  13.130  -7.529  -7.211
  174    HA   LYS  28           HA       LYS  28  14.649  -9.832  -7.194
  175    HB2  LYS  28           2HB      LYS  28  13.262 -10.436  -5.128
  176    HB3  LYS  28           3HB      LYS  28  14.125  -8.904  -5.101
  177    HG2  LYS  28           2HG      LYS  28  11.402  -8.717  -6.150
  178    HG3  LYS  28           3HG      LYS  28  11.500  -9.244  -4.468
  179    HD2  LYS  28           2HD      LYS  28  13.172  -6.932  -5.299
  180    HD3  LYS  28           3HD      LYS  28  11.433  -6.676  -5.140
  181    HE2  LYS  28           2HE      LYS  28  11.934  -6.280  -2.983
  182    HE3  LYS  28           3HE      LYS  28  11.955  -8.039  -2.860
  183    HZ1  LYS  28           3HZ      LYS  28  13.944  -7.324  -1.893
  184    HZ2  LYS  28           1HZ      LYS  28  14.255  -6.196  -3.116
  185    HZ3  LYS  28           2HZ      LYS  28  14.399  -7.851  -3.435
  186    H    ILE  29           H        ILE  29  11.255  -9.431  -7.990
  187    HA   ILE  29           HA       ILE  29  11.233 -12.081  -9.178
  188    HB   ILE  29           HB       ILE  29   9.100 -12.708  -8.081
  189   HG12  ILE  29          2HG1      ILE  29   9.022 -11.343  -5.722
  190   HG13  ILE  29          3HG1      ILE  29   9.513 -10.068  -6.832
  191   HG21  ILE  29          1HG2      ILE  29  11.429 -13.409  -7.303
  192   HG22  ILE  29          2HG2      ILE  29  11.199 -12.264  -5.983
  193   HG23  ILE  29          3HG2      ILE  29  10.095 -13.627  -6.170
  194   HD11  ILE  29          3HD1      ILE  29   7.416  -9.829  -7.471
  195   HD12  ILE  29          1HD1      ILE  29   7.390 -11.499  -8.038
  196   HD13  ILE  29          2HD1      ILE  29   6.929 -11.124  -6.377
  197    H    ARG  30           H        ARG  30   9.511  -9.078  -8.488
  198    HA   ARG  30           HA       ARG  30   8.816  -8.624 -11.170
  199    HB2  ARG  30           2HB      ARG  30   7.238 -10.576 -10.318
  200    HB3  ARG  30           3HB      ARG  30   6.334  -9.233  -9.632
  201    HG2  ARG  30           2HG      ARG  30   5.798  -8.361 -11.704
  202    HG3  ARG  30           3HG      ARG  30   7.135  -9.184 -12.508
  203    HD2  ARG  30           2HD      ARG  30   5.142 -10.937 -11.232
  204    HD3  ARG  30           3HD      ARG  30   4.561 -10.004 -12.610
  205    HE   ARG  30           HE       ARG  30   6.974 -11.153 -13.361
  206   HH11  ARG  30          1HH1      ARG  30   3.790 -12.193 -12.411
  207   HH12  ARG  30          2HH1      ARG  30   3.845 -13.651 -13.345
  208   HH21  ARG  30          1HH2      ARG  30   7.059 -13.070 -14.595
  209   HH22  ARG  30          2HH2      ARG  30   5.705 -14.149 -14.586
  210    H    GLN  31           H        GLN  31   9.979  -6.918  -9.598
  211    HA   GLN  31           HA       GLN  31   9.911  -4.800  -8.774
  212    HB2  GLN  31           2HB      GLN  31   7.483  -5.027 -10.417
  213    HB3  GLN  31           3HB      GLN  31   7.416  -3.765  -9.193
  214    HG2  GLN  31           2HG      GLN  31   9.362  -2.706 -10.077
  215    HG3  GLN  31           3HG      GLN  31   9.653  -4.049 -11.181
  216   HE21  GLN  31          1HE2      GLN  31   7.484  -1.395 -10.429
  217   HE22  GLN  31          2HE2      GLN  31   6.837  -1.225 -12.022
  218    H    THR  32           H        THR  32  10.053  -5.765  -6.649
  219    HA   THR  32           HA       THR  32   7.602  -5.327  -5.073
  220    HB   THR  32           HB       THR  32   9.694  -7.436  -4.509
  221    HG1  THR  32           HG1      THR  32   7.195  -7.510  -5.816
  222   HG21  THR  32          3HG2      THR  32   7.711  -8.207  -2.989
  223   HG22  THR  32          1HG2      THR  32   7.223  -6.516  -3.098
  224   HG23  THR  32          2HG2      THR  32   8.802  -6.938  -2.435
  225    H    CYS  33           H        CYS  33   7.857  -4.434  -3.014
  226    HA   CYS  33           HA       CYS  33  10.177  -2.752  -2.722
  227    HB2  CYS  33           2HB      CYS  33   7.510  -2.597  -1.930
  228    HB3  CYS  33           3HB      CYS  33   8.397  -2.808  -0.424
  229    H    HIS  34           H        HIS  34  11.572  -2.702  -0.903
  230    HA   HIS  34           HA       HIS  34  11.527  -4.822   1.035
  231    HB2  HIS  34           2HB      HIS  34  12.569  -5.766  -1.146
  232    HB3  HIS  34           3HB      HIS  34  13.961  -4.772  -0.729
  233    HD1  HIS  34           HD1      HIS  34  15.643  -6.418   0.066
  234    HD2  HIS  34           HD2      HIS  34  11.895  -7.087   1.728
  235    HE1  HIS  34           HE1      HIS  34  15.974  -8.254   1.753
  236    H    CYS  35           H        CYS  35  12.760  -4.362   2.821
  237    HA   CYS  35           HA       CYS  35  13.952  -1.691   2.865
  238    HB2  CYS  35           2HB      CYS  35  13.055  -3.568   5.053
  239    HB3  CYS  35           3HB      CYS  35  13.939  -2.080   5.375
  240    H    TYR  36           H        TYR  36  16.076  -1.343   3.079
  241    HA   TYR  36           HA       TYR  36  17.842  -3.655   3.144
  242    HB2  TYR  36           2HB      TYR  36  18.278  -0.732   2.550
  243    HB3  TYR  36           3HB      TYR  36  19.615  -1.865   2.715
  244    HD1  TYR  36           HD2      TYR  36  19.691  -3.866   1.148
  245    HD2  TYR  36           HD1      TYR  36  17.105  -0.545   0.524
  246    HE1  TYR  36           HE2      TYR  36  19.443  -4.511  -1.212
  247    HE2  TYR  36           HE1      TYR  36  16.849  -1.181  -1.838
  248    HH   TYR  36           HH       TYR  36  17.129  -2.959  -3.307
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   0.680  -2.807  -3.927
    2    HA2  GLY   1           2HA      GLY   1   2.810  -1.615  -3.770
    3    HA3  GLY   1           3HA      GLY   1   2.872  -1.640  -5.526
    4    H    PHE   2           H        PHE   2   3.284   0.738  -4.611
    5    HA   PHE   2           HA       PHE   2   1.222   2.327  -5.626
    6    HB2  PHE   2           2HB      PHE   2   0.661   3.489  -3.386
    7    HB3  PHE   2           3HB      PHE   2  -0.135   1.963  -3.753
    8    HD1  PHE   2           HD2      PHE   2   3.062   3.082  -2.178
    9    HD2  PHE   2           HD1      PHE   2  -0.324   0.509  -2.001
   10    HE1  PHE   2           HE2      PHE   2   3.887   2.148  -0.057
   11    HE2  PHE   2           HE1      PHE   2   0.496  -0.429   0.121
   12    HZ   PHE   2           HZ       PHE   2   2.604   0.389   1.095
   13    H    GLY   3           H        GLY   3   4.083   2.051  -5.724
   14    HA2  GLY   3           2HA      GLY   3   5.008   4.538  -6.108
   15    HA3  GLY   3           3HA      GLY   3   5.172   4.375  -4.366
   16    H    CYS   4           H        CYS   4   7.136   4.592  -6.664
   17    HA   CYS   4           HA       CYS   4   9.190   3.053  -5.582
   18    HB2  CYS   4           2HB      CYS   4   7.462   1.538  -7.276
   19    HB3  CYS   4           3HB      CYS   4   9.010   1.724  -8.094
   20    HA   PRO   5           HA       PRO   5  10.640   4.755  -9.859
   21    HB2  PRO   5           2HB      PRO   5   8.743   5.764 -11.517
   22    HB3  PRO   5           3HB      PRO   5   9.225   4.063 -11.531
   23    HG2  PRO   5           2HG      PRO   5   6.853   5.350 -10.234
   24    HG3  PRO   5           3HG      PRO   5   6.942   3.835 -11.151
   25    HD2  PRO   5           2HD      PRO   5   6.890   3.898  -8.445
   26    HD3  PRO   5           3HD      PRO   5   7.763   2.648  -9.354
   27    H    TRP   6           H        TRP   6   7.698   6.462  -8.791
   28    HA   TRP   6           HA       TRP   6   9.318   8.915  -8.570
   29    HB2  TRP   6           2HB      TRP   6   6.805   9.898  -8.794
   30    HB3  TRP   6           3HB      TRP   6   7.890   9.669 -10.163
   31    HD1  TRP   6           HD1      TRP   6   7.226   7.878 -11.956
   32    HE1  TRP   6           HE1      TRP   6   5.146   6.405 -12.309
   33    HE3  TRP   6           HE3      TRP   6   4.959   8.576  -7.428
   34    HZ2  TRP   6           HZ2      TRP   6   2.847   5.640 -10.860
   35    HZ3  TRP   6           HZ3      TRP   6   2.821   7.438  -6.991
   36    HH2  TRP   6           HH2      TRP   6   1.789   6.001  -8.673
   37    H    ASN   7           H        ASN   7   6.807   6.904  -7.177
   38    HA   ASN   7           HA       ASN   7   6.571   8.638  -4.848
   39    HB2  ASN   7           2HB      ASN   7   4.964   6.525  -6.070
   40    HB3  ASN   7           3HB      ASN   7   5.088   6.362  -4.320
   41   HD21  ASN   7          1HD2      ASN   7   2.797   6.787  -4.346
   42   HD22  ASN   7          2HD2      ASN   7   2.234   8.419  -4.411
   43    H    ALA   8           H        ALA   8   9.027   7.039  -5.559
   44    HA   ALA   8           HA       ALA   8   9.429   4.846  -3.938
   45    HB1  ALA   8           1HB      ALA   8  10.996   6.206  -5.622
   46    HB2  ALA   8           2HB      ALA   8  11.668   6.771  -4.092
   47    HB3  ALA   8           3HB      ALA   8  11.625   5.045  -4.452
   48    H    TYR   9           H        TYR   9   9.308   8.228  -3.066
   49    HA   TYR   9           HA       TYR   9  10.542   8.183  -0.581
   50    HB2  TYR   9           2HB      TYR   9   8.823   9.963  -2.038
   51    HB3  TYR   9           3HB      TYR   9   8.306   9.901  -0.357
   52    HD1  TYR   9           HD2      TYR   9  11.549  10.048  -2.223
   53    HD2  TYR   9           HD1      TYR   9   9.199  11.527   1.000
   54    HE1  TYR   9           HE2      TYR   9  13.366  11.590  -1.615
   55    HE2  TYR   9           HE1      TYR   9  11.009  13.075   1.617
   56    HH   TYR   9           HH       TYR   9  13.604  13.102   1.275
   57    H    GLU  10           H        GLU  10   7.431   6.973  -1.555
   58    HA   GLU  10           HA       GLU  10   6.240   6.798   1.004
   59    HB2  GLU  10           2HB      GLU  10   4.831   6.653  -0.919
   60    HB3  GLU  10           3HB      GLU  10   5.748   5.300  -1.567
   61    HG2  GLU  10           2HG      GLU  10   3.637   4.546  -0.664
   62    HG3  GLU  10           3HG      GLU  10   4.980   3.892   0.272
   63    H    CYS  11           H        CYS  11   7.617   4.193  -1.013
   64    HA   CYS  11           HA       CYS  11   7.654   2.297   1.087
   65    HB2  CYS  11           2HB      CYS  11   7.756   1.939  -1.486
   66    HB3  CYS  11           3HB      CYS  11   9.492   2.154  -1.285
   67    H    ASP  12           H        ASP  12   9.841   4.793   0.114
   68    HA   ASP  12           HA       ASP  12  12.168   3.750   1.394
   69    HB2  ASP  12           2HB      ASP  12  12.623   5.322  -0.285
   70    HB3  ASP  12           3HB      ASP  12  11.399   6.443   0.305
   71    H    ARG  13           H        ARG  13  10.092   6.527   2.245
   72    HA   ARG  13           HA       ARG  13  11.149   6.925   4.799
   73    HB2  ARG  13           2HB      ARG  13   8.485   7.607   3.576
   74    HB3  ARG  13           3HB      ARG  13   8.871   8.029   5.239
   75    HG2  ARG  13           2HG      ARG  13  10.978   8.840   3.441
   76    HG3  ARG  13           3HG      ARG  13   9.420   9.516   2.961
   77    HD2  ARG  13           2HD      ARG  13   9.255  10.012   5.557
   78    HD3  ARG  13           3HD      ARG  13  11.013   9.960   5.430
   79    HE   ARG  13           HE       ARG  13  10.170  11.608   3.396
   80   HH11  ARG  13          1HH1      ARG  13   9.898  11.542   6.866
   81   HH12  ARG  13          2HH1      ARG  13   9.836  13.266   7.024
   82   HH21  ARG  13          1HH2      ARG  13  10.089  13.879   3.591
   83   HH22  ARG  13          2HH2      ARG  13   9.944  14.595   5.161
   84    H    HIS  14           H        HIS  14   9.036   4.500   3.623
   85    HA   HIS  14           HA       HIS  14   7.573   3.852   5.915
   86    HB2  HIS  14           2HB      HIS  14   7.067   2.901   3.720
   87    HB3  HIS  14           3HB      HIS  14   8.593   2.021   3.733
   88    HD1  HIS  14           HD1      HIS  14   5.108   1.872   4.950
   89    HD2  HIS  14           HD2      HIS  14   8.672  -0.175   5.559
   90    HE1  HIS  14           HE1      HIS  14   4.467  -0.262   6.114
   91    H    CYS  15           H        CYS  15  10.768   2.754   4.842
   92    HA   CYS  15           HA       CYS  15  11.121   1.215   7.288
   93    HB2  CYS  15           2HB      CYS  15  12.933   1.604   4.897
   94    HB3  CYS  15           3HB      CYS  15  13.286   0.551   6.263
   95    H    VAL  16           H        VAL  16  12.224   4.182   5.797
   96    HA   VAL  16           HA       VAL  16  14.457   4.797   7.288
   97    HB   VAL  16           HB       VAL  16  12.292   6.709   6.401
   98   HG11  VAL  16          1HG1      VAL  16  14.590   8.132   6.343
   99   HG12  VAL  16          2HG1      VAL  16  13.458   8.136   7.696
  100   HG13  VAL  16          3HG1      VAL  16  14.883   7.097   7.740
  101   HG21  VAL  16          3HG2      VAL  16  13.007   6.355   4.328
  102   HG22  VAL  16          1HG2      VAL  16  14.637   6.832   4.805
  103   HG23  VAL  16          2HG2      VAL  16  14.143   5.143   4.921
  104    H    SER  17           H        SER  17  11.106   4.840   8.251
  105    HA   SER  17           HA       SER  17  11.533   6.345  10.657
  106    HB2  SER  17           2HB      SER  17   9.312   5.668   9.182
  107    HB3  SER  17           3HB      SER  17   9.162   4.615  10.589
  108    HG   SER  17           HG       SER  17   9.711   6.750  11.735
  109    H    LYS  18           H        LYS  18  11.355   2.941   9.792
  110    HA   LYS  18           HA       LYS  18  11.322   1.935  12.446
  111    HB2  LYS  18           2HB      LYS  18  11.882   0.770   9.745
  112    HB3  LYS  18           3HB      LYS  18  12.271  -0.165  11.183
  113    HG2  LYS  18           2HG      LYS  18  10.172  -0.914  10.963
  114    HG3  LYS  18           3HG      LYS  18   9.746   0.602  11.762
  115    HD2  LYS  18           2HD      LYS  18   8.600   1.242   9.969
  116    HD3  LYS  18           3HD      LYS  18  10.052   1.102   8.974
  117    HE2  LYS  18           2HE      LYS  18   8.063  -1.076   9.602
  118    HE3  LYS  18           3HE      LYS  18   8.306  -0.280   8.047
  119    HZ1  LYS  18           3HZ      LYS  18   9.681  -1.960   7.618
  120    HZ2  LYS  18           1HZ      LYS  18   9.762  -2.447   9.236
  121    HZ3  LYS  18           2HZ      LYS  18  10.774  -1.216   8.672
  122    H    GLY  19           H        GLY  19  13.893   2.717  10.163
  123    HA2  GLY  19           2HA      GLY  19  15.870   3.496  11.742
  124    HA3  GLY  19           3HA      GLY  19  15.928   1.763  12.027
  125    H    TYR  20           H        TYR  20  15.313   0.883   9.421
  126    HA   TYR  20           HA       TYR  20  17.828   0.775   8.256
  127    HB2  TYR  20           2HB      TYR  20  15.220   0.478   6.759
  128    HB3  TYR  20           3HB      TYR  20  16.771  -0.250   6.356
  129    HD1  TYR  20           HD1      TYR  20  17.711  -2.026   7.874
  130    HD2  TYR  20           HD2      TYR  20  13.725  -0.585   8.247
  131    HE1  TYR  20           HE1      TYR  20  17.116  -4.025   9.179
  132    HE2  TYR  20           HE2      TYR  20  13.120  -2.579   9.553
  133    HH   TYR  20           HH       TYR  20  14.201  -5.120   9.638
  134    H    THR  21           H        THR  21  18.250   1.468   5.905
  135    HA   THR  21           HA       THR  21  18.336   4.299   5.835
  136    HB   THR  21           HB       THR  21  20.032   2.801   4.764
  137    HG1  THR  21           HG1      THR  21  20.385   4.693   3.876
  138   HG21  THR  21          3HG2      THR  21  18.030   1.456   3.660
  139   HG22  THR  21          1HG2      THR  21  19.613   1.555   2.890
  140   HG23  THR  21          2HG2      THR  21  18.304   2.605   2.350
  141    H    GLY  22           H        GLY  22  16.169   1.925   4.465
  142    HA2  GLY  22           2HA      GLY  22  13.934   3.321   4.148
  143    HA3  GLY  22           3HA      GLY  22  14.863   3.915   2.779
  144    H    GLY  23           H        GLY  23  12.353   2.363   2.865
  145    HA2  GLY  23           2HA      GLY  23  13.068  -0.266   1.877
  146    HA3  GLY  23           3HA      GLY  23  11.444   0.386   2.032
  147    H    ASN  24           H        ASN  24  14.092  -0.178  -0.064
  148    HA   ASN  24           HA       ASN  24  12.816   1.361  -2.216
  149    HB2  ASN  24           2HB      ASN  24  15.497   0.049  -2.496
  150    HB3  ASN  24           3HB      ASN  24  14.880   1.500  -3.281
  151   HD21  ASN  24          1HD2      ASN  24  13.968   2.937  -1.140
  152   HD22  ASN  24          2HD2      ASN  24  15.297   3.376  -0.128
  153    H    CYS  25           H        CYS  25  11.921   0.381  -3.938
  154    HA   CYS  25           HA       CYS  25  11.822  -2.540  -3.918
  155    HB2  CYS  25           2HB      CYS  25   9.934  -2.282  -5.476
  156    HB3  CYS  25           3HB      CYS  25   9.684  -1.358  -3.998
  157    H    ARG  26           H        ARG  26  11.853  -3.661  -6.049
  158    HA   ARG  26           HA       ARG  26  13.244  -2.378  -8.220
  159    HB2  ARG  26           2HB      ARG  26  15.095  -4.153  -8.141
  160    HB3  ARG  26           3HB      ARG  26  15.209  -2.807  -7.015
  161    HG2  ARG  26           2HG      ARG  26  14.412  -4.171  -5.211
  162    HG3  ARG  26           3HG      ARG  26  14.083  -5.508  -6.315
  163    HD2  ARG  26           2HD      ARG  26  16.137  -6.256  -5.917
  164    HD3  ARG  26           3HD      ARG  26  16.761  -4.826  -6.738
  165    HE   ARG  26           HE       ARG  26  16.291  -3.960  -4.210
  166   HH11  ARG  26          1HH1      ARG  26  18.082  -6.622  -5.561
  167   HH12  ARG  26          2HH1      ARG  26  19.247  -6.659  -4.279
  168   HH21  ARG  26          1HH2      ARG  26  17.819  -3.998  -2.517
  169   HH22  ARG  26          2HH2      ARG  26  19.096  -5.166  -2.547
  170    H    GLY  27           H        GLY  27  14.000  -4.328  -9.794
  171    HA2  GLY  27           2HA      GLY  27  11.522  -5.784 -10.294
  172    HA3  GLY  27           3HA      GLY  27  12.867  -5.601 -11.411
  173    H    LYS  28           H        LYS  28  12.871  -6.775  -8.065
  174    HA   LYS  28           HA       LYS  28  14.554  -8.972  -8.710
  175    HB2  LYS  28           2HB      LYS  28  14.136  -9.673  -6.362
  176    HB3  LYS  28           3HB      LYS  28  14.651  -7.998  -6.504
  177    HG2  LYS  28           2HG      LYS  28  11.981  -7.674  -6.573
  178    HG3  LYS  28           3HG      LYS  28  12.097  -9.125  -5.574
  179    HD2  LYS  28           2HD      LYS  28  13.966  -6.933  -4.919
  180    HD3  LYS  28           3HD      LYS  28  12.259  -6.626  -4.591
  181    HE2  LYS  28           2HE      LYS  28  13.845  -8.996  -3.604
  182    HE3  LYS  28           3HE      LYS  28  13.415  -7.580  -2.647
  183    HZ1  LYS  28           3HZ      LYS  28  11.397  -8.393  -2.268
  184    HZ2  LYS  28           1HZ      LYS  28  11.943  -9.865  -2.899
  185    HZ3  LYS  28           2HZ      LYS  28  11.138  -8.764  -3.898
  186    H    ILE  29           H        ILE  29  11.095  -8.670  -8.014
  187    HA   ILE  29           HA       ILE  29  10.588 -11.116  -9.482
  188    HB   ILE  29           HB       ILE  29   9.121 -11.996  -7.606
  189   HG12  ILE  29          2HG1      ILE  29  10.805 -10.840  -5.537
  190   HG13  ILE  29          3HG1      ILE  29   9.878  -9.607  -6.384
  191   HG21  ILE  29          1HG2      ILE  29  11.419 -12.840  -8.329
  192   HG22  ILE  29          2HG2      ILE  29  12.037 -12.018  -6.897
  193   HG23  ILE  29          3HG2      ILE  29  10.851 -13.312  -6.728
  194   HD11  ILE  29          3HD1      ILE  29   8.896 -10.759  -4.283
  195   HD12  ILE  29          1HD1      ILE  29   7.862 -10.451  -5.678
  196   HD13  ILE  29          2HD1      ILE  29   8.514 -12.067  -5.402
  197    H    ARG  30           H        ARG  30   9.664  -9.346 -10.793
  198    HA   ARG  30           HA       ARG  30   7.859  -8.269 -11.663
  199    HB2  ARG  30           2HB      ARG  30   6.781 -10.484 -10.935
  200    HB3  ARG  30           3HB      ARG  30   6.155  -9.584  -9.560
  201    HG2  ARG  30           2HG      ARG  30   5.281  -7.952 -11.408
  202    HG3  ARG  30           3HG      ARG  30   5.455  -9.370 -12.444
  203    HD2  ARG  30           2HD      ARG  30   3.793  -9.126  -9.942
  204    HD3  ARG  30           3HD      ARG  30   3.210  -9.305 -11.596
  205    HE   ARG  30           HE       ARG  30   4.819 -11.500 -11.064
  206   HH11  ARG  30          1HH1      ARG  30   1.852 -10.119  -9.875
  207   HH12  ARG  30          2HH1      ARG  30   1.179 -11.644  -9.402
  208   HH21  ARG  30          1HH2      ARG  30   3.944 -13.514 -10.445
  209   HH22  ARG  30          2HH2      ARG  30   2.370 -13.574  -9.726
  210    H    GLN  31           H        GLN  31   9.342  -6.755 -10.004
  211    HA   GLN  31           HA       GLN  31   9.319  -4.805  -8.835
  212    HB2  GLN  31           2HB      GLN  31   6.323  -4.801  -9.186
  213    HB3  GLN  31           3HB      GLN  31   7.378  -3.417  -8.931
  214    HG2  GLN  31           2HG      GLN  31   8.400  -4.529 -11.214
  215    HG3  GLN  31           3HG      GLN  31   6.668  -4.808 -11.388
  216   HE21  GLN  31          1HE2      GLN  31   8.930  -2.247 -10.435
  217   HE22  GLN  31          2HE2      GLN  31   8.078  -0.966 -11.221
  218    H    THR  32           H        THR  32   9.891  -5.196  -6.789
  219    HA   THR  32           HA       THR  32   7.772  -5.632  -4.831
  220    HB   THR  32           HB       THR  32  10.225  -7.394  -4.983
  221    HG1  THR  32           HG1      THR  32   8.524  -8.003  -6.408
  222   HG21  THR  32          3HG2      THR  32   9.879  -7.123  -2.698
  223   HG22  THR  32          1HG2      THR  32   8.932  -8.564  -3.065
  224   HG23  THR  32          2HG2      THR  32   8.129  -7.005  -2.876
  225    H    CYS  33           H        CYS  33   8.220  -4.816  -2.793
  226    HA   CYS  33           HA       CYS  33  10.286  -2.813  -2.700
  227    HB2  CYS  33           2HB      CYS  33   7.817  -3.342  -1.334
  228    HB3  CYS  33           3HB      CYS  33   9.096  -3.106  -0.147
  229    H    HIS  34           H        HIS  34  12.047  -2.729  -1.320
  230    HA   HIS  34           HA       HIS  34  12.620  -5.036   0.369
  231    HB2  HIS  34           2HB      HIS  34  13.559  -5.302  -2.053
  232    HB3  HIS  34           3HB      HIS  34  14.759  -4.125  -1.529
  233    HD1  HIS  34           HD1      HIS  34  16.815  -5.182  -0.685
  234    HD2  HIS  34           HD2      HIS  34  13.479  -7.562  -0.004
  235    HE1  HIS  34           HE1      HIS  34  17.689  -7.264   0.424
  236    H    CYS  35           H        CYS  35  13.423  -4.380   2.249
  237    HA   CYS  35           HA       CYS  35  14.390  -1.630   2.481
  238    HB2  CYS  35           2HB      CYS  35  13.404  -3.661   4.473
  239    HB3  CYS  35           3HB      CYS  35  14.258  -2.210   4.989
  240    H    TYR  36           H        TYR  36  16.460  -1.132   2.823
  241    HA   TYR  36           HA       TYR  36  18.294  -2.856   4.163
  242    HB2  TYR  36           2HB      TYR  36  19.743  -3.448   2.369
  243    HB3  TYR  36           3HB      TYR  36  18.119  -3.898   1.862
  244    HD1  TYR  36           HD2      TYR  36  16.848  -2.042   0.474
  245    HD2  TYR  36           HD1      TYR  36  21.075  -2.273   0.891
  246    HE1  TYR  36           HE2      TYR  36  17.117  -0.714  -1.579
  247    HE2  TYR  36           HE1      TYR  36  21.357  -0.945  -1.159
  248    HH   TYR  36           HH       TYR  36  19.748   0.864  -2.415
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -0.204  -1.641  -0.645
    2    HA2  GLY   1           2HA      GLY   1   1.472  -0.125  -1.042
    3    HA3  GLY   1           3HA      GLY   1   2.023  -1.229  -2.294
    4    H    PHE   2           H        PHE   2   1.776   1.781  -2.103
    5    HA   PHE   2           HA       PHE   2   0.498   2.123  -4.719
    6    HB2  PHE   2           2HB      PHE   2  -0.646   4.125  -4.046
    7    HB3  PHE   2           3HB      PHE   2  -1.077   2.853  -2.907
    8    HD1  PHE   2           HD2      PHE   2   0.414   2.739  -0.753
    9    HD2  PHE   2           HD1      PHE   2   0.007   6.173  -3.235
   10    HE1  PHE   2           HE2      PHE   2   1.129   4.171   1.116
   11    HE2  PHE   2           HE1      PHE   2   0.723   7.610  -1.370
   12    HZ   PHE   2           HZ       PHE   2   1.284   6.609   0.809
   13    H    GLY   3           H        GLY   3   3.275   1.886  -3.924
   14    HA2  GLY   3           2HA      GLY   3   4.319   4.118  -5.361
   15    HA3  GLY   3           3HA      GLY   3   4.665   4.255  -3.643
   16    H    CYS   4           H        CYS   4   6.351   3.754  -6.117
   17    HA   CYS   4           HA       CYS   4   8.317   2.169  -4.945
   18    HB2  CYS   4           2HB      CYS   4   6.226   0.643  -6.217
   19    HB3  CYS   4           3HB      CYS   4   7.753   0.393  -7.056
   20    HA   PRO   5           HA       PRO   5   9.428   2.799  -9.599
   21    HB2  PRO   5           2HB      PRO   5   7.479   3.739 -11.238
   22    HB3  PRO   5           3HB      PRO   5   7.743   2.015 -10.950
   23    HG2  PRO   5           2HG      PRO   5   5.725   3.854  -9.722
   24    HG3  PRO   5           3HG      PRO   5   5.514   2.196 -10.314
   25    HD2  PRO   5           2HD      PRO   5   5.804   2.778  -7.685
   26    HD3  PRO   5           3HD      PRO   5   6.398   1.266  -8.399
   27    H    TRP   6           H        TRP   6   6.867   5.087  -8.641
   28    HA   TRP   6           HA       TRP   6   8.791   7.277  -9.082
   29    HB2  TRP   6           2HB      TRP   6   6.410   8.552  -9.253
   30    HB3  TRP   6           3HB      TRP   6   7.275   7.909 -10.646
   31    HD1  TRP   6           HD1      TRP   6   6.170   5.927 -11.954
   32    HE1  TRP   6           HE1      TRP   6   3.897   4.732 -11.782
   33    HE3  TRP   6           HE3      TRP   6   4.608   7.799  -7.461
   34    HZ2  TRP   6           HZ2      TRP   6   1.728   4.601  -9.980
   35    HZ3  TRP   6           HZ3      TRP   6   2.421   7.089  -6.583
   36    HH2  TRP   6           HH2      TRP   6   1.012   5.524  -7.818
   37    H    ASN   7           H        ASN   7   6.261   5.944  -7.058
   38    HA   ASN   7           HA       ASN   7   6.528   8.108  -5.125
   39    HB2  ASN   7           2HB      ASN   7   4.536   6.058  -5.721
   40    HB3  ASN   7           3HB      ASN   7   4.865   6.200  -3.997
   41   HD21  ASN   7          1HD2      ASN   7   2.722   6.975  -3.752
   42   HD22  ASN   7          2HD2      ASN   7   2.331   8.616  -4.124
   43    H    ALA   8           H        ALA   8   8.718   6.183  -5.698
   44    HA   ALA   8           HA       ALA   8   9.086   4.235  -3.791
   45    HB1  ALA   8           1HB      ALA   8  11.400   4.370  -4.221
   46    HB2  ALA   8           2HB      ALA   8  10.608   4.849  -5.722
   47    HB3  ALA   8           3HB      ALA   8  11.299   6.075  -4.660
   48    H    TYR   9           H        TYR   9   9.296   7.707  -3.431
   49    HA   TYR   9           HA       TYR   9  10.716   7.948  -1.074
   50    HB2  TYR   9           2HB      TYR   9   8.994   9.598  -2.641
   51    HB3  TYR   9           3HB      TYR   9   8.535   9.775  -0.951
   52    HD1  TYR   9           HD1      TYR   9  11.748   9.491  -2.855
   53    HD2  TYR   9           HD2      TYR   9   9.501  11.580   0.094
   54    HE1  TYR   9           HE1      TYR   9  13.640  11.025  -2.509
   55    HE2  TYR   9           HE2      TYR   9  11.386  13.120   0.447
   56    HH   TYR   9           HH       TYR   9  14.386  12.566  -0.346
   57    H    GLU  10           H        GLU  10   7.472   6.793  -1.585
   58    HA   GLU  10           HA       GLU  10   6.589   7.011   1.110
   59    HB2  GLU  10           2HB      GLU  10   4.933   6.842  -0.603
   60    HB3  GLU  10           3HB      GLU  10   5.634   5.354  -1.222
   61    HG2  GLU  10           2HG      GLU  10   3.542   5.035   0.067
   62    HG3  GLU  10           3HG      GLU  10   4.920   4.130   0.693
   63    H    CYS  11           H        CYS  11   7.714   4.231  -0.816
   64    HA   CYS  11           HA       CYS  11   7.702   2.403   1.340
   65    HB2  CYS  11           2HB      CYS  11   7.917   2.112  -1.320
   66    HB3  CYS  11           3HB      CYS  11   9.620   1.984  -0.890
   67    H    ASP  12           H        ASP  12   9.993   4.769   0.254
   68    HA   ASP  12           HA       ASP  12  12.285   3.703   1.555
   69    HB2  ASP  12           2HB      ASP  12  12.744   5.248  -0.157
   70    HB3  ASP  12           3HB      ASP  12  11.577   6.415   0.461
   71    H    ARG  13           H        ARG  13  10.266   6.526   2.394
   72    HA   ARG  13           HA       ARG  13  11.363   6.915   4.942
   73    HB2  ARG  13           2HB      ARG  13   8.696   7.675   3.759
   74    HB3  ARG  13           3HB      ARG  13   9.173   8.141   5.386
   75    HG2  ARG  13           2HG      ARG  13  11.272   8.819   3.582
   76    HG3  ARG  13           3HG      ARG  13   9.745   9.444   2.956
   77    HD2  ARG  13           2HD      ARG  13   9.402  10.808   4.780
   78    HD3  ARG  13           3HD      ARG  13  10.401   9.816   5.841
   79    HE   ARG  13           HE       ARG  13  11.913  11.055   3.756
   80   HH11  ARG  13          1HH1      ARG  13  10.486  11.564   6.890
   81   HH12  ARG  13          2HH1      ARG  13  11.592  12.822   7.334
   82   HH21  ARG  13          1HH2      ARG  13  13.376  12.709   4.328
   83   HH22  ARG  13          2HH2      ARG  13  13.235  13.473   5.876
   84    H    HIS  14           H        HIS  14   9.180   4.550   3.789
   85    HA   HIS  14           HA       HIS  14   7.687   3.981   6.086
   86    HB2  HIS  14           2HB      HIS  14   7.184   3.037   3.866
   87    HB3  HIS  14           3HB      HIS  14   8.645   2.058   3.954
   88    HD1  HIS  14           HD1      HIS  14   5.108   2.024   4.795
   89    HD2  HIS  14           HD2      HIS  14   8.533   0.070   6.103
   90    HE1  HIS  14           HE1      HIS  14   4.291   0.011   6.060
   91    H    CYS  15           H        CYS  15  10.847   2.776   5.029
   92    HA   CYS  15           HA       CYS  15  11.143   1.234   7.481
   93    HB2  CYS  15           2HB      CYS  15  13.019   1.571   5.131
   94    HB3  CYS  15           3HB      CYS  15  13.257   0.461   6.477
   95    H    VAL  16           H        VAL  16  12.333   4.166   5.992
   96    HA   VAL  16           HA       VAL  16  14.579   4.716   7.493
   97    HB   VAL  16           HB       VAL  16  12.478   6.684   6.574
   98   HG11  VAL  16          1HG1      VAL  16  14.364   8.316   6.650
   99   HG12  VAL  16          2HG1      VAL  16  13.845   7.735   8.234
  100   HG13  VAL  16          3HG1      VAL  16  15.317   7.098   7.498
  101   HG21  VAL  16          3HG2      VAL  16  13.220   6.314   4.514
  102   HG22  VAL  16          1HG2      VAL  16  14.856   6.735   5.019
  103   HG23  VAL  16          2HG2      VAL  16  14.303   5.064   5.126
  104    H    SER  17           H        SER  17  11.224   4.864   8.433
  105    HA   SER  17           HA       SER  17  11.693   6.357  10.842
  106    HB2  SER  17           2HB      SER  17   9.447   5.691   9.336
  107    HB3  SER  17           3HB      SER  17   9.244   4.782  10.833
  108    HG   SER  17           HG       SER  17   8.563   7.184  10.582
  109    H    LYS  18           H        LYS  18  11.414   2.972   9.955
  110    HA   LYS  18           HA       LYS  18  11.292   1.959  12.610
  111    HB2  LYS  18           2HB      LYS  18  11.797   0.788   9.907
  112    HB3  LYS  18           3HB      LYS  18  12.179  -0.171  11.330
  113    HG2  LYS  18           2HG      LYS  18  10.055  -0.856  11.120
  114    HG3  LYS  18           3HG      LYS  18   9.692   0.653  11.962
  115    HD2  LYS  18           2HD      LYS  18   8.666   1.510  10.172
  116    HD3  LYS  18           3HD      LYS  18   9.981   1.032   9.096
  117    HE2  LYS  18           2HE      LYS  18   8.441  -0.358   8.228
  118    HE3  LYS  18           3HE      LYS  18   8.850  -1.372   9.611
  119    HZ1  LYS  18           3HZ      LYS  18   6.636  -1.282   9.931
  120    HZ2  LYS  18           1HZ      LYS  18   6.445   0.175   9.092
  121    HZ3  LYS  18           2HZ      LYS  18   6.996   0.186  10.691
  122    H    GLY  19           H        GLY  19  13.914   2.644  10.358
  123    HA2  GLY  19           2HA      GLY  19  15.922   3.349  11.893
  124    HA3  GLY  19           3HA      GLY  19  15.878   1.637  12.285
  125    H    TYR  20           H        TYR  20  15.240   0.634   9.729
  126    HA   TYR  20           HA       TYR  20  17.739   0.275   8.608
  127    HB2  TYR  20           2HB      TYR  20  15.137   0.146   7.077
  128    HB3  TYR  20           3HB      TYR  20  16.626  -0.722   6.720
  129    HD1  TYR  20           HD2      TYR  20  17.433  -2.450   8.419
  130    HD2  TYR  20           HD1      TYR  20  13.512  -0.800   8.475
  131    HE1  TYR  20           HE2      TYR  20  16.661  -4.345   9.783
  132    HE2  TYR  20           HE1      TYR  20  12.729  -2.690   9.841
  133    HH   TYR  20           HH       TYR  20  14.228  -5.493  10.131
  134    H    THR  21           H        THR  21  18.510   0.918   6.447
  135    HA   THR  21           HA       THR  21  18.814   3.667   6.204
  136    HB   THR  21           HB       THR  21  20.312   1.961   5.164
  137    HG1  THR  21           HG1      THR  21  20.810   3.301   3.436
  138   HG21  THR  21          3HG2      THR  21  19.726   1.079   2.954
  139   HG22  THR  21          1HG2      THR  21  18.131   1.819   3.078
  140   HG23  THR  21          2HG2      THR  21  18.590   0.523   4.183
  141    H    GLY  22           H        GLY  22  16.368   1.549   4.880
  142    HA2  GLY  22           2HA      GLY  22  14.303   3.157   4.544
  143    HA3  GLY  22           3HA      GLY  22  15.298   3.685   3.195
  144    H    GLY  23           H        GLY  23  12.680   2.509   3.043
  145    HA2  GLY  23           2HA      GLY  23  13.146  -0.195   2.042
  146    HA3  GLY  23           3HA      GLY  23  11.584   0.586   2.241
  147    H    ASN  24           H        ASN  24  13.851  -0.425   0.028
  148    HA   ASN  24           HA       ASN  24  12.759   1.373  -2.036
  149    HB2  ASN  24           2HB      ASN  24  15.367  -0.034  -2.434
  150    HB3  ASN  24           3HB      ASN  24  14.809   1.496  -3.103
  151   HD21  ASN  24          1HD2      ASN  24  14.070   2.896  -0.921
  152   HD22  ASN  24          2HD2      ASN  24  15.430   3.171   0.108
  153    H    CYS  25           H        CYS  25  12.236   0.477  -4.051
  154    HA   CYS  25           HA       CYS  25  11.673  -2.395  -3.946
  155    HB2  CYS  25           2HB      CYS  25  10.659  -0.414  -5.986
  156    HB3  CYS  25           3HB      CYS  25  10.018  -2.014  -5.625
  157    H    ARG  26           H        ARG  26  12.132  -3.765  -5.731
  158    HA   ARG  26           HA       ARG  26  13.882  -2.781  -7.825
  159    HB2  ARG  26           2HB      ARG  26  14.791  -4.642  -5.650
  160    HB3  ARG  26           3HB      ARG  26  15.503  -4.729  -7.256
  161    HG2  ARG  26           2HG      ARG  26  15.452  -2.280  -5.505
  162    HG3  ARG  26           3HG      ARG  26  16.830  -3.362  -5.719
  163    HD2  ARG  26           2HD      ARG  26  15.878  -2.583  -8.287
  164    HD3  ARG  26           3HD      ARG  26  16.070  -1.135  -7.299
  165    HE   ARG  26           HE       ARG  26  18.322  -2.906  -7.162
  166   HH11  ARG  26          1HH1      ARG  26  16.824  -0.339  -8.975
  167   HH12  ARG  26          2HH1      ARG  26  18.311   0.210  -9.675
  168   HH21  ARG  26          1HH2      ARG  26  20.286  -2.193  -8.078
  169   HH22  ARG  26          2HH2      ARG  26  20.279  -0.846  -9.166
  170    H    GLY  27           H        GLY  27  14.516  -4.651  -9.320
  171    HA2  GLY  27           2HA      GLY  27  12.088  -6.161  -9.859
  172    HA3  GLY  27           3HA      GLY  27  13.475  -5.997 -10.926
  173    H    LYS  28           H        LYS  28  13.189  -7.151  -7.573
  174    HA   LYS  28           HA       LYS  28  14.922  -9.377  -8.143
  175    HB2  LYS  28           2HB      LYS  28  14.458  -9.966  -5.737
  176    HB3  LYS  28           3HB      LYS  28  15.161  -8.374  -5.994
  177    HG2  LYS  28           2HG      LYS  28  12.232  -8.416  -5.953
  178    HG3  LYS  28           3HG      LYS  28  13.001  -8.889  -4.436
  179    HD2  LYS  28           2HD      LYS  28  13.998  -6.463  -5.850
  180    HD3  LYS  28           3HD      LYS  28  12.470  -6.362  -4.973
  181    HE2  LYS  28           2HE      LYS  28  13.992  -5.746  -3.351
  182    HE3  LYS  28           3HE      LYS  28  13.816  -7.473  -3.043
  183    HZ1  LYS  28           3HZ      LYS  28  15.875  -7.930  -3.954
  184    HZ2  LYS  28           1HZ      LYS  28  16.160  -6.467  -3.153
  185    HZ3  LYS  28           2HZ      LYS  28  15.941  -6.485  -4.830
  186    H    ILE  29           H        ILE  29  11.486  -8.855  -7.695
  187    HA   ILE  29           HA       ILE  29  10.936 -11.465  -8.822
  188    HB   ILE  29           HB       ILE  29   9.266 -11.962  -6.962
  189   HG12  ILE  29          2HG1      ILE  29  11.069 -10.301  -5.230
  190   HG13  ILE  29          3HG1      ILE  29   9.674  -9.565  -6.011
  191   HG21  ILE  29          1HG2      ILE  29  12.047 -12.120  -5.900
  192   HG22  ILE  29          2HG2      ILE  29  10.778 -13.343  -5.920
  193   HG23  ILE  29          3HG2      ILE  29  11.648 -12.952  -7.403
  194   HD11  ILE  29          3HD1      ILE  29   9.769 -11.015  -3.601
  195   HD12  ILE  29          1HD1      ILE  29   8.362 -10.321  -4.406
  196   HD13  ILE  29          2HD1      ILE  29   8.850 -11.980  -4.755
  197    H    ARG  30           H        ARG  30  10.203  -9.919 -10.462
  198    HA   ARG  30           HA       ARG  30   8.536  -8.902 -11.628
  199    HB2  ARG  30           2HB      ARG  30   7.263 -10.887 -10.563
  200    HB3  ARG  30           3HB      ARG  30   6.596  -9.682  -9.469
  201    HG2  ARG  30           2HG      ARG  30   5.039  -9.233 -10.973
  202    HG3  ARG  30           3HG      ARG  30   6.297  -8.649 -12.064
  203    HD2  ARG  30           2HD      ARG  30   6.619 -11.145 -12.650
  204    HD3  ARG  30           3HD      ARG  30   5.028 -11.359 -11.919
  205    HE   ARG  30           HE       ARG  30   4.912  -9.267 -13.792
  206   HH11  ARG  30          1HH1      ARG  30   5.270 -12.727 -13.644
  207   HH12  ARG  30          2HH1      ARG  30   4.552 -12.998 -15.197
  208   HH21  ARG  30          1HH2      ARG  30   3.965  -9.612 -15.838
  209   HH22  ARG  30          2HH2      ARG  30   3.811 -11.226 -16.445
  210    H    GLN  31           H        GLN  31  10.053  -7.378  -9.775
  211    HA   GLN  31           HA       GLN  31  10.120  -5.281  -8.897
  212    HB2  GLN  31           2HB      GLN  31   7.322  -4.888  -9.949
  213    HB3  GLN  31           3HB      GLN  31   8.542  -3.660  -9.641
  214    HG2  GLN  31           2HG      GLN  31   9.917  -4.866 -11.442
  215    HG3  GLN  31           3HG      GLN  31   8.394  -5.640 -11.877
  216   HE21  GLN  31          1HE2      GLN  31   6.679  -4.345 -12.640
  217   HE22  GLN  31          2HE2      GLN  31   6.974  -2.787 -13.325
  218    H    THR  32           H        THR  32  10.143  -5.384  -6.743
  219    HA   THR  32           HA       THR  32   7.619  -5.158  -5.315
  220    HB   THR  32           HB       THR  32   8.103  -7.607  -5.416
  221    HG1  THR  32           HG1      THR  32   8.421  -6.715  -2.750
  222   HG21  THR  32          3HG2      THR  32  10.531  -7.538  -5.391
  223   HG22  THR  32          1HG2      THR  32   9.944  -8.475  -4.019
  224   HG23  THR  32          2HG2      THR  32  10.517  -6.824  -3.779
  225    H    CYS  33           H        CYS  33   7.951  -4.628  -3.004
  226    HA   CYS  33           HA       CYS  33  10.127  -2.740  -2.743
  227    HB2  CYS  33           2HB      CYS  33   7.509  -2.931  -1.733
  228    HB3  CYS  33           3HB      CYS  33   8.570  -3.069  -0.335
  229    H    HIS  34           H        HIS  34  11.645  -2.719  -1.032
  230    HA   HIS  34           HA       HIS  34  11.896  -4.970   0.736
  231    HB2  HIS  34           2HB      HIS  34  12.872  -5.576  -1.641
  232    HB3  HIS  34           3HB      HIS  34  14.246  -4.629  -1.080
  233    HD1  HIS  34           HD1      HIS  34  15.943  -5.892   0.203
  234    HD2  HIS  34           HD2      HIS  34  12.236  -7.766   0.273
  235    HE1  HIS  34           HE1      HIS  34  16.309  -8.062   1.421
  236    H    CYS  35           H        CYS  35  13.051  -4.453   2.518
  237    HA   CYS  35           HA       CYS  35  14.231  -1.771   2.586
  238    HB2  CYS  35           2HB      CYS  35  13.245  -3.618   4.761
  239    HB3  CYS  35           3HB      CYS  35  14.138  -2.138   5.099
  240    H    TYR  36           H        TYR  36  16.338  -1.411   3.046
  241    HA   TYR  36           HA       TYR  36  18.061  -3.779   3.244
  242    HB2  TYR  36           2HB      TYR  36  18.784  -0.941   2.486
  243    HB3  TYR  36           3HB      TYR  36  19.864  -2.329   2.445
  244    HD1  TYR  36           HD1      TYR  36  18.923  -4.364   0.988
  245    HD2  TYR  36           HD2      TYR  36  17.818  -0.285   0.499
  246    HE1  TYR  36           HE1      TYR  36  18.240  -4.834  -1.327
  247    HE2  TYR  36           HE2      TYR  36  17.130  -0.743  -1.818
  248    HH   TYR  36           HH       TYR  36  17.470  -2.319  -3.561
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   0.354  -1.153  -1.360
    2    HA2  GLY   1           2HA      GLY   1   2.487  -0.230  -1.732
    3    HA3  GLY   1           3HA      GLY   1   2.632  -1.207  -3.185
    4    H    PHE   2           H        PHE   2   2.200   1.871  -2.038
    5    HA   PHE   2           HA       PHE   2   1.051   2.756  -4.603
    6    HB2  PHE   2           2HB      PHE   2   0.829   4.278  -2.006
    7    HB3  PHE   2           3HB      PHE   2  -0.036   4.576  -3.510
    8    HD1  PHE   2           HD2      PHE   2   0.229   2.373  -0.583
    9    HD2  PHE   2           HD1      PHE   2  -1.996   3.345  -4.079
   10    HE1  PHE   2           HE2      PHE   2  -1.626   0.966   0.211
   11    HE2  PHE   2           HE1      PHE   2  -3.856   1.940  -3.290
   12    HZ   PHE   2           HZ       PHE   2  -3.672   0.748  -1.143
   13    H    GLY   3           H        GLY   3   3.602   2.433  -4.829
   14    HA2  GLY   3           2HA      GLY   3   4.769   4.713  -5.634
   15    HA3  GLY   3           3HA      GLY   3   5.107   4.737  -3.910
   16    H    CYS   4           H        CYS   4   6.822   4.423  -6.381
   17    HA   CYS   4           HA       CYS   4   8.770   2.743  -5.309
   18    HB2  CYS   4           2HB      CYS   4   6.704   1.337  -6.748
   19    HB3  CYS   4           3HB      CYS   4   8.248   1.157  -7.575
   20    HA   PRO   5           HA       PRO   5   9.973   3.769  -9.868
   21    HB2  PRO   5           2HB      PRO   5   8.055   4.840 -11.463
   22    HB3  PRO   5           3HB      PRO   5   8.319   3.098 -11.314
   23    HG2  PRO   5           2HG      PRO   5   6.270   4.823  -9.979
   24    HG3  PRO   5           3HG      PRO   5   6.077   3.220 -10.712
   25    HD2  PRO   5           2HD      PRO   5   6.310   3.581  -8.039
   26    HD3  PRO   5           3HD      PRO   5   6.925   2.134  -8.865
   27    H    TRP   6           H        TRP   6   7.390   5.960  -8.758
   28    HA   TRP   6           HA       TRP   6   9.314   8.183  -8.973
   29    HB2  TRP   6           2HB      TRP   6   6.931   9.464  -9.096
   30    HB3  TRP   6           3HB      TRP   6   7.839   8.949 -10.515
   31    HD1  TRP   6           HD1      TRP   6   6.785   7.081 -12.021
   32    HE1  TRP   6           HE1      TRP   6   4.515   5.869 -12.020
   33    HE3  TRP   6           HE3      TRP   6   5.081   8.554  -7.432
   34    HZ2  TRP   6           HZ2      TRP   6   2.295   5.577 -10.301
   35    HZ3  TRP   6           HZ3      TRP   6   2.874   7.765  -6.684
   36    HH2  TRP   6           HH2      TRP   6   1.511   6.307  -8.091
   37    H    ASN   7           H        ASN   7   6.722   6.694  -7.141
   38    HA   ASN   7           HA       ASN   7   6.945   8.681  -5.023
   39    HB2  ASN   7           2HB      ASN   7   4.968   6.686  -5.838
   40    HB3  ASN   7           3HB      ASN   7   5.239   6.714  -4.098
   41   HD21  ASN   7          1HD2      ASN   7   3.078   7.472  -3.895
   42   HD22  ASN   7          2HD2      ASN   7   2.706   9.137  -4.164
   43    H    ALA   8           H        ALA   8   9.102   6.712  -5.736
   44    HA   ALA   8           HA       ALA   8   9.384   4.654  -3.926
   45    HB1  ALA   8           1HB      ALA   8  11.143   6.209  -5.619
   46    HB2  ALA   8           2HB      ALA   8  11.941   5.708  -4.128
   47    HB3  ALA   8           3HB      ALA   8  11.212   4.500  -5.186
   48    H    TYR   9           H        TYR   9   9.796   8.094  -3.419
   49    HA   TYR   9           HA       TYR   9  11.213   8.126  -1.042
   50    HB2  TYR   9           2HB      TYR   9   9.902  10.005  -2.598
   51    HB3  TYR   9           3HB      TYR   9   9.039  10.073  -1.066
   52    HD1  TYR   9           HD2      TYR   9  12.616   9.755  -2.127
   53    HD2  TYR   9           HD1      TYR   9   9.771  11.740   0.337
   54    HE1  TYR   9           HE2      TYR   9  14.412  11.147  -1.185
   55    HE2  TYR   9           HE1      TYR   9  11.559  13.138   1.285
   56    HH   TYR   9           HH       TYR   9  14.160  12.850   1.580
   57    H    GLU  10           H        GLU  10   7.908   7.233  -1.639
   58    HA   GLU  10           HA       GLU  10   7.010   7.421   1.061
   59    HB2  GLU  10           2HB      GLU  10   5.363   7.487  -0.668
   60    HB3  GLU  10           3HB      GLU  10   5.933   5.972  -1.356
   61    HG2  GLU  10           2HG      GLU  10   3.786   5.881  -0.033
   62    HG3  GLU  10           3HG      GLU  10   5.028   4.706   0.396
   63    H    CYS  11           H        CYS  11   8.009   4.690  -0.991
   64    HA   CYS  11           HA       CYS  11   7.796   2.766   1.099
   65    HB2  CYS  11           2HB      CYS  11   7.865   2.507  -1.542
   66    HB3  CYS  11           3HB      CYS  11   9.588   2.304  -1.242
   67    H    ASP  12           H        ASP  12  10.229   5.002   0.120
   68    HA   ASP  12           HA       ASP  12  12.426   3.638   1.371
   69    HB2  ASP  12           2HB      ASP  12  12.973   5.079  -0.449
   70    HB3  ASP  12           3HB      ASP  12  12.093   6.426   0.267
   71    H    ARG  13           H        ARG  13  10.647   6.637   2.126
   72    HA   ARG  13           HA       ARG  13  11.840   7.131   4.597
   73    HB2  ARG  13           2HB      ARG  13  10.115   8.692   4.985
   74    HB3  ARG  13           3HB      ARG  13  10.318   8.659   3.238
   75    HG2  ARG  13           2HG      ARG  13   8.066   8.537   3.302
   76    HG3  ARG  13           3HG      ARG  13   8.409   6.813   3.462
   77    HD2  ARG  13           2HD      ARG  13   7.155   6.897   5.309
   78    HD3  ARG  13           3HD      ARG  13   8.530   7.707   6.057
   79    HE   ARG  13           HE       ARG  13   7.165   9.736   4.895
   80   HH11  ARG  13          1HH1      ARG  13   6.267   7.175   7.075
   81   HH12  ARG  13          2HH1      ARG  13   5.016   8.092   7.846
   82   HH21  ARG  13          1HH2      ARG  13   5.521  10.955   5.902
   83   HH22  ARG  13          2HH2      ARG  13   4.592  10.242   7.177
   84    H    HIS  14           H        HIS  14   9.475   4.797   3.683
   85    HA   HIS  14           HA       HIS  14   8.155   4.348   6.097
   86    HB2  HIS  14           2HB      HIS  14   7.381   3.303   4.065
   87    HB3  HIS  14           3HB      HIS  14   8.892   2.415   3.893
   88    HD1  HIS  14           HD1      HIS  14   5.808   2.539   6.069
   89    HD2  HIS  14           HD2      HIS  14   8.984   0.005   5.202
   90    HE1  HIS  14           HE1      HIS  14   5.260   0.362   7.204
   91    H    CYS  15           H        CYS  15  11.209   3.020   4.888
   92    HA   CYS  15           HA       CYS  15  11.630   1.566   7.375
   93    HB2  CYS  15           2HB      CYS  15  13.374   1.770   4.911
   94    HB3  CYS  15           3HB      CYS  15  13.644   0.689   6.274
   95    H    VAL  16           H        VAL  16  12.766   4.420   5.710
   96    HA   VAL  16           HA       VAL  16  15.122   4.968   7.041
   97    HB   VAL  16           HB       VAL  16  13.015   6.959   6.187
   98   HG11  VAL  16          1HG1      VAL  16  15.091   8.449   5.985
   99   HG12  VAL  16          2HG1      VAL  16  14.450   8.146   7.601
  100   HG13  VAL  16          3HG1      VAL  16  15.875   7.272   7.038
  101   HG21  VAL  16          3HG2      VAL  16  15.421   6.618   4.554
  102   HG22  VAL  16          1HG2      VAL  16  14.372   5.201   4.601
  103   HG23  VAL  16          2HG2      VAL  16  13.730   6.755   4.070
  104    H    SER  17           H        SER  17  11.842   5.212   8.185
  105    HA   SER  17           HA       SER  17  12.487   6.796  10.495
  106    HB2  SER  17           2HB      SER  17  10.098   5.875  11.165
  107    HB3  SER  17           3HB      SER  17  10.273   7.111   9.919
  108    HG   SER  17           HG       SER  17   8.941   5.113   9.486
  109    H    LYS  18           H        LYS  18  11.975   3.377   9.805
  110    HA   LYS  18           HA       LYS  18  12.035   2.474  12.483
  111    HB2  LYS  18           2HB      LYS  18  12.397   1.185   9.808
  112    HB3  LYS  18           3HB      LYS  18  12.813   0.278  11.256
  113    HG2  LYS  18           2HG      LYS  18  10.665  -0.364  11.143
  114    HG3  LYS  18           3HG      LYS  18  10.375   1.178  11.952
  115    HD2  LYS  18           2HD      LYS  18   9.324   2.031  10.169
  116    HD3  LYS  18           3HD      LYS  18  10.551   1.427   9.053
  117    HE2  LYS  18           2HE      LYS  18   8.714   0.227   8.375
  118    HE3  LYS  18           3HE      LYS  18   9.425  -0.884   9.545
  119    HZ1  LYS  18           3HZ      LYS  18   7.287   1.050  10.238
  120    HZ2  LYS  18           1HZ      LYS  18   7.850  -0.246  11.170
  121    HZ3  LYS  18           2HZ      LYS  18   6.974  -0.540   9.753
  122    H    GLY  19           H        GLY  19  14.551   2.990  10.063
  123    HA2  GLY  19           2HA      GLY  19  16.643   3.726  11.488
  124    HA3  GLY  19           3HA      GLY  19  16.596   2.022  11.917
  125    H    TYR  20           H        TYR  20  15.827   0.962   9.431
  126    HA   TYR  20           HA       TYR  20  18.256   0.554   8.186
  127    HB2  TYR  20           2HB      TYR  20  15.574   0.421   6.799
  128    HB3  TYR  20           3HB      TYR  20  17.034  -0.469   6.379
  129    HD1  TYR  20           HD1      TYR  20  17.973  -2.030   8.274
  130    HD2  TYR  20           HD2      TYR  20  13.963  -0.621   8.094
  131    HE1  TYR  20           HE1      TYR  20  17.262  -3.889   9.719
  132    HE2  TYR  20           HE2      TYR  20  13.240  -2.475   9.539
  133    HH   TYR  20           HH       TYR  20  13.869  -4.496  10.394
  134    H    THR  21           H        THR  21  18.776   1.082   5.860
  135    HA   THR  21           HA       THR  21  19.121   3.856   5.573
  136    HB   THR  21           HB       THR  21  20.588   2.120   4.531
  137    HG1  THR  21           HG1      THR  21  21.001   3.405   2.731
  138   HG21  THR  21          3HG2      THR  21  19.967   0.994   2.547
  139   HG22  THR  21          1HG2      THR  21  18.504   1.961   2.363
  140   HG23  THR  21          2HG2      THR  21  18.617   0.770   3.659
  141    H    GLY  22           H        GLY  22  16.628   1.684   4.452
  142    HA2  GLY  22           2HA      GLY  22  14.527   3.213   4.139
  143    HA3  GLY  22           3HA      GLY  22  15.464   3.781   2.765
  144    H    GLY  23           H        GLY  23  12.855   2.361   2.922
  145    HA2  GLY  23           2HA      GLY  23  13.406  -0.253   1.786
  146    HA3  GLY  23           3HA      GLY  23  11.820   0.444   2.083
  147    H    ASN  24           H        ASN  24  13.862  -0.543  -0.283
  148    HA   ASN  24           HA       ASN  24  12.664   1.297  -2.250
  149    HB2  ASN  24           2HB      ASN  24  15.208  -0.154  -2.853
  150    HB3  ASN  24           3HB      ASN  24  14.630   1.393  -3.466
  151   HD21  ASN  24          1HD2      ASN  24  14.096   2.802  -1.242
  152   HD22  ASN  24          2HD2      ASN  24  15.532   3.036  -0.309
  153    H    CYS  25           H        CYS  25  12.447   0.340  -4.449
  154    HA   CYS  25           HA       CYS  25  11.537  -2.444  -4.218
  155    HB2  CYS  25           2HB      CYS  25  10.829  -0.480  -6.399
  156    HB3  CYS  25           3HB      CYS  25  10.028  -2.001  -6.019
  157    H    ARG  26           H        ARG  26  12.551  -4.015  -5.282
  158    HA   ARG  26           HA       ARG  26  14.375  -3.266  -7.472
  159    HB2  ARG  26           2HB      ARG  26  14.773  -5.284  -5.265
  160    HB3  ARG  26           3HB      ARG  26  15.748  -5.268  -6.728
  161    HG2  ARG  26           2HG      ARG  26  15.589  -2.671  -5.409
  162    HG3  ARG  26           3HG      ARG  26  16.321  -3.933  -4.415
  163    HD2  ARG  26           2HD      ARG  26  17.881  -2.581  -5.903
  164    HD3  ARG  26           3HD      ARG  26  18.018  -4.337  -5.986
  165    HE   ARG  26           HE       ARG  26  16.255  -3.187  -7.955
  166   HH11  ARG  26          1HH1      ARG  26  19.525  -4.115  -7.199
  167   HH12  ARG  26          2HH1      ARG  26  20.002  -4.271  -8.857
  168   HH21  ARG  26          1HH2      ARG  26  16.872  -3.390 -10.142
  169   HH22  ARG  26          2HH2      ARG  26  18.493  -3.858 -10.530
  170    H    GLY  27           H        GLY  27  15.028  -5.425  -8.690
  171    HA2  GLY  27           2HA      GLY  27  12.491  -6.554  -9.599
  172    HA3  GLY  27           3HA      GLY  27  14.033  -6.653 -10.437
  173    H    LYS  28           H        LYS  28  13.495  -7.460  -7.054
  174    HA   LYS  28           HA       LYS  28  14.901  -9.829  -7.069
  175    HB2  LYS  28           2HB      LYS  28  13.434 -10.424  -5.050
  176    HB3  LYS  28           3HB      LYS  28  14.382  -8.945  -4.960
  177    HG2  LYS  28           2HG      LYS  28  11.695  -8.577  -6.056
  178    HG3  LYS  28           3HG      LYS  28  11.731  -9.148  -4.386
  179    HD2  LYS  28           2HD      LYS  28  13.566  -6.932  -5.097
  180    HD3  LYS  28           3HD      LYS  28  11.842  -6.558  -5.033
  181    HE2  LYS  28           2HE      LYS  28  11.942  -6.461  -2.817
  182    HE3  LYS  28           3HE      LYS  28  12.489  -8.136  -2.762
  183    HZ1  LYS  28           3HZ      LYS  28  14.266  -7.158  -1.798
  184    HZ2  LYS  28           1HZ      LYS  28  14.031  -5.670  -2.569
  185    HZ3  LYS  28           2HZ      LYS  28  14.755  -6.951  -3.404
  186    H    ILE  29           H        ILE  29  11.602  -9.234  -8.038
  187    HA   ILE  29           HA       ILE  29  11.472 -11.866  -9.240
  188    HB   ILE  29           HB       ILE  29   9.157 -12.241  -8.229
  189   HG12  ILE  29          2HG1      ILE  29  10.266 -10.276  -6.213
  190   HG13  ILE  29          3HG1      ILE  29   8.864 -10.020  -7.246
  191   HG21  ILE  29          1HG2      ILE  29  11.518 -12.450  -6.368
  192   HG22  ILE  29          2HG2      ILE  29  10.057 -13.436  -6.340
  193   HG23  ILE  29          3HG2      ILE  29  11.180 -13.561  -7.695
  194   HD11  ILE  29          3HD1      ILE  29   7.625 -10.800  -5.589
  195   HD12  ILE  29          1HD1      ILE  29   8.328 -12.388  -5.896
  196   HD13  ILE  29          2HD1      ILE  29   9.049 -11.323  -4.689
  197    H    ARG  30           H        ARG  30   9.827  -8.816  -8.533
  198    HA   ARG  30           HA       ARG  30   9.289  -8.245 -11.229
  199    HB2  ARG  30           2HB      ARG  30   7.613 -10.176 -10.538
  200    HB3  ARG  30           3HB      ARG  30   6.714  -8.835  -9.841
  201    HG2  ARG  30           2HG      ARG  30   6.993  -7.743 -12.164
  202    HG3  ARG  30           3HG      ARG  30   7.369  -9.380 -12.705
  203    HD2  ARG  30           2HD      ARG  30   4.862  -8.550 -11.246
  204    HD3  ARG  30           3HD      ARG  30   4.988  -8.820 -12.984
  205    HE   ARG  30           HE       ARG  30   5.834 -11.085 -11.459
  206   HH11  ARG  30          1HH1      ARG  30   3.056  -9.414 -12.728
  207   HH12  ARG  30          2HH1      ARG  30   2.060 -10.832 -12.772
  208   HH21  ARG  30          1HH2      ARG  30   4.533 -12.958 -11.511
  209   HH22  ARG  30          2HH2      ARG  30   2.901 -12.847 -12.078
  210    H    GLN  31           H        GLN  31  10.417  -6.623  -9.560
  211    HA   GLN  31           HA       GLN  31  10.367  -4.524  -8.686
  212    HB2  GLN  31           2HB      GLN  31   7.526  -4.341  -9.686
  213    HB3  GLN  31           3HB      GLN  31   8.645  -3.018  -9.380
  214    HG2  GLN  31           2HG      GLN  31   9.933  -4.648 -11.238
  215    HG3  GLN  31           3HG      GLN  31   8.252  -4.575 -11.764
  216   HE21  GLN  31          1HE2      GLN  31   7.442  -2.120 -11.193
  217   HE22  GLN  31          2HE2      GLN  31   8.394  -0.930 -12.006
  218    H    THR  32           H        THR  32  10.354  -5.855  -6.652
  219    HA   THR  32           HA       THR  32   7.886  -5.387  -5.110
  220    HB   THR  32           HB       THR  32  10.044  -7.369  -4.390
  221    HG1  THR  32           HG1      THR  32   8.185  -8.823  -5.214
  222   HG21  THR  32          3HG2      THR  32   7.911  -8.366  -3.244
  223   HG22  THR  32          1HG2      THR  32   7.306  -6.717  -3.385
  224   HG23  THR  32          2HG2      THR  32   8.786  -7.038  -2.482
  225    H    CYS  33           H        CYS  33   7.994  -4.371  -3.142
  226    HA   CYS  33           HA       CYS  33  10.308  -2.719  -2.688
  227    HB2  CYS  33           2HB      CYS  33   7.538  -2.654  -1.992
  228    HB3  CYS  33           3HB      CYS  33   8.484  -2.540  -0.511
  229    H    HIS  34           H        HIS  34  11.677  -2.742  -0.917
  230    HA   HIS  34           HA       HIS  34  11.384  -4.676   1.188
  231    HB2  HIS  34           2HB      HIS  34  12.431  -5.813  -0.959
  232    HB3  HIS  34           3HB      HIS  34  13.900  -5.032  -0.383
  233    HD1  HIS  34           HD1      HIS  34  11.433  -7.706   0.521
  234    HD2  HIS  34           HD2      HIS  34  15.035  -6.157   1.896
  235    HE1  HIS  34           HE1      HIS  34  12.248  -9.335   2.255
  236    H    CYS  35           H        CYS  35  12.968  -4.429   2.861
  237    HA   CYS  35           HA       CYS  35  14.182  -1.760   2.836
  238    HB2  CYS  35           2HB      CYS  35  13.423  -3.628   5.083
  239    HB3  CYS  35           3HB      CYS  35  14.360  -2.160   5.337
  240    H    TYR  36           H        TYR  36  16.311  -1.509   2.711
  241    HA   TYR  36           HA       TYR  36  18.177  -3.307   3.893
  242    HB2  TYR  36           2HB      TYR  36  19.201  -4.240   1.959
  243    HB3  TYR  36           3HB      TYR  36  17.474  -4.533   1.789
  244    HD1  TYR  36           HD2      TYR  36  16.230  -2.457   0.542
  245    HD2  TYR  36           HD1      TYR  36  20.299  -3.597   0.045
  246    HE1  TYR  36           HE2      TYR  36  16.259  -1.369  -1.663
  247    HE2  TYR  36           HE1      TYR  36  20.340  -2.511  -2.162
  248    HH   TYR  36           HH       TYR  36  18.662  -0.373  -3.191
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   1.137  -2.507  -3.240
    2    HA2  GLY   1           2HA      GLY   1   1.761  -0.494  -1.286
    3    HA3  GLY   1           3HA      GLY   1   2.787  -1.013  -2.615
    4    H    PHE   2           H        PHE   2   1.774   1.672  -1.470
    5    HA   PHE   2           HA       PHE   2   0.718   2.794  -3.972
    6    HB2  PHE   2           2HB      PHE   2   0.821   4.150  -1.275
    7    HB3  PHE   2           3HB      PHE   2  -0.107   4.640  -2.689
    8    HD1  PHE   2           HD2      PHE   2   0.130   2.216   0.057
    9    HD2  PHE   2           HD1      PHE   2  -2.203   3.624  -3.213
   10    HE1  PHE   2           HE2      PHE   2  -1.796   0.924   0.879
   11    HE2  PHE   2           HE1      PHE   2  -4.133   2.335  -2.395
   12    HZ   PHE   2           HZ       PHE   2  -3.930   0.982  -0.348
   13    H    GLY   3           H        GLY   3   3.167   2.339  -4.508
   14    HA2  GLY   3           2HA      GLY   3   4.490   4.436  -5.355
   15    HA3  GLY   3           3HA      GLY   3   4.856   4.573  -3.641
   16    H    CYS   4           H        CYS   4   6.498   3.981  -6.125
   17    HA   CYS   4           HA       CYS   4   8.407   2.325  -4.955
   18    HB2  CYS   4           2HB      CYS   4   6.244   0.878  -6.197
   19    HB3  CYS   4           3HB      CYS   4   7.752   0.557  -7.046
   20    HA   PRO   5           HA       PRO   5   9.504   2.870  -9.623
   21    HB2  PRO   5           2HB      PRO   5   7.582   3.877 -11.255
   22    HB3  PRO   5           3HB      PRO   5   7.776   2.146 -10.954
   23    HG2  PRO   5           2HG      PRO   5   5.847   4.077  -9.725
   24    HG3  PRO   5           3HG      PRO   5   5.562   2.425 -10.301
   25    HD2  PRO   5           2HD      PRO   5   5.899   3.016  -7.680
   26    HD3  PRO   5           3HD      PRO   5   6.424   1.474  -8.386
   27    H    TRP   6           H        TRP   6   7.048   5.271  -8.665
   28    HA   TRP   6           HA       TRP   6   9.057   7.375  -9.141
   29    HB2  TRP   6           2HB      TRP   6   6.730   8.747  -9.302
   30    HB3  TRP   6           3HB      TRP   6   7.555   8.057 -10.697
   31    HD1  TRP   6           HD1      TRP   6   6.357   6.111 -11.978
   32    HE1  TRP   6           HE1      TRP   6   4.038   5.013 -11.776
   33    HE3  TRP   6           HE3      TRP   6   4.914   8.084  -7.488
   34    HZ2  TRP   6           HZ2      TRP   6   1.881   4.988  -9.954
   35    HZ3  TRP   6           HZ3      TRP   6   2.708   7.473  -6.586
   36    HH2  TRP   6           HH2      TRP   6   1.224   5.958  -7.795
   37    H    ASN   7           H        ASN   7   6.493   6.165  -7.083
   38    HA   ASN   7           HA       ASN   7   6.867   8.332  -5.171
   39    HB2  ASN   7           2HB      ASN   7   4.786   6.361  -5.733
   40    HB3  ASN   7           3HB      ASN   7   5.137   6.504  -4.013
   41   HD21  ASN   7          1HD2      ASN   7   3.007   7.357  -3.793
   42   HD22  ASN   7          2HD2      ASN   7   2.690   9.014  -4.162
   43    H    ALA   8           H        ALA   8   8.972   6.317  -5.745
   44    HA   ALA   8           HA       ALA   8   9.277   4.369  -3.828
   45    HB1  ALA   8           1HB      ALA   8  11.547   6.120  -4.738
   46    HB2  ALA   8           2HB      ALA   8  11.598   4.421  -4.266
   47    HB3  ALA   8           3HB      ALA   8  10.808   4.895  -5.770
   48    H    TYR   9           H        TYR   9   9.628   7.832  -3.492
   49    HA   TYR   9           HA       TYR   9  11.073   8.032  -1.148
   50    HB2  TYR   9           2HB      TYR   9   9.448   9.745  -2.724
   51    HB3  TYR   9           3HB      TYR   9   8.934   9.932  -1.051
   52    HD1  TYR   9           HD2      TYR   9  10.674  10.531   0.686
   53    HD2  TYR   9           HD1      TYR   9  11.447  10.724  -3.494
   54    HE1  TYR   9           HE2      TYR   9  12.594  12.007   1.115
   55    HE2  TYR   9           HE1      TYR   9  13.370  12.200  -3.076
   56    HH   TYR   9           HH       TYR   9  14.874  12.516  -0.295
   57    H    GLU  10           H        GLU  10   7.782   7.003  -1.626
   58    HA   GLU  10           HA       GLU  10   6.937   7.268   1.079
   59    HB2  GLU  10           2HB      GLU  10   5.255   7.173  -0.616
   60    HB3  GLU  10           3HB      GLU  10   5.881   5.654  -1.241
   61    HG2  GLU  10           2HG      GLU  10   3.764   5.541   0.136
   62    HG3  GLU  10           3HG      GLU  10   5.062   4.434   0.580
   63    H    CYS  11           H        CYS  11   7.922   4.443  -0.859
   64    HA   CYS  11           HA       CYS  11   7.849   2.616   1.299
   65    HB2  CYS  11           2HB      CYS  11   8.027   2.320  -1.366
   66    HB3  CYS  11           3HB      CYS  11   9.723   2.106  -0.947
   67    H    ASP  12           H        ASP  12  10.217   4.895   0.208
   68    HA   ASP  12           HA       ASP  12  12.475   3.720   1.486
   69    HB2  ASP  12           2HB      ASP  12  13.015   5.220  -0.232
   70    HB3  ASP  12           3HB      ASP  12  11.885   6.439   0.352
   71    H    ARG  13           H        ARG  13  10.607   6.648   2.313
   72    HA   ARG  13           HA       ARG  13  11.739   7.008   4.847
   73    HB2  ARG  13           2HB      ARG  13   9.099   7.879   3.680
   74    HB3  ARG  13           3HB      ARG  13   9.614   8.340   5.298
   75    HG2  ARG  13           2HG      ARG  13  11.678   8.874   3.353
   76    HG3  ARG  13           3HG      ARG  13  10.161   9.668   2.924
   77    HD2  ARG  13           2HD      ARG  13  10.151  10.349   5.449
   78    HD3  ARG  13           3HD      ARG  13  11.881  10.029   5.337
   79    HE   ARG  13           HE       ARG  13  11.414  11.655   3.226
   80   HH11  ARG  13          1HH1      ARG  13  10.679  11.867   6.623
   81   HH12  ARG  13          2HH1      ARG  13  10.764  13.597   6.666
   82   HH21  ARG  13          1HH2      ARG  13  11.529  13.932   3.271
   83   HH22  ARG  13          2HH2      ARG  13  11.246  14.771   4.759
   84    H    HIS  14           H        HIS  14   9.423   4.746   3.736
   85    HA   HIS  14           HA       HIS  14   7.932   4.267   6.052
   86    HB2  HIS  14           2HB      HIS  14   7.325   3.322   3.880
   87    HB3  HIS  14           3HB      HIS  14   8.772   2.318   3.895
   88    HD1  HIS  14           HD1      HIS  14   5.296   2.471   5.124
   89    HD2  HIS  14           HD2      HIS  14   8.691   0.168   5.783
   90    HE1  HIS  14           HE1      HIS  14   4.493   0.421   6.339
   91    H    CYS  15           H        CYS  15  11.020   2.903   4.979
   92    HA   CYS  15           HA       CYS  15  11.265   1.370   7.441
   93    HB2  CYS  15           2HB      CYS  15  13.141   1.598   5.078
   94    HB3  CYS  15           3HB      CYS  15  13.325   0.483   6.428
   95    H    VAL  16           H        VAL  16  12.586   4.226   5.913
   96    HA   VAL  16           HA       VAL  16  14.865   4.680   7.395
   97    HB   VAL  16           HB       VAL  16  12.861   6.743   6.470
   98   HG11  VAL  16          1HG1      VAL  16  15.720   7.010   7.380
   99   HG12  VAL  16          2HG1      VAL  16  14.846   8.267   6.502
  100   HG13  VAL  16          3HG1      VAL  16  14.288   7.752   8.094
  101   HG21  VAL  16          3HG2      VAL  16  13.558   6.306   4.407
  102   HG22  VAL  16          1HG2      VAL  16  15.219   6.655   4.889
  103   HG23  VAL  16          2HG2      VAL  16  14.587   5.014   5.024
  104    H    SER  17           H        SER  17  11.529   5.000   8.353
  105    HA   SER  17           HA       SER  17  12.080   6.500  10.739
  106    HB2  SER  17           2HB      SER  17   9.787   5.853   9.259
  107    HB3  SER  17           3HB      SER  17   9.568   5.062  10.820
  108    HG   SER  17           HG       SER  17   8.796   7.121  11.036
  109    H    LYS  18           H        LYS  18  11.544   3.113   9.926
  110    HA   LYS  18           HA       LYS  18  11.425   2.144  12.582
  111    HB2  LYS  18           2HB      LYS  18  11.895   0.913   9.897
  112    HB3  LYS  18           3HB      LYS  18  12.214  -0.041  11.340
  113    HG2  LYS  18           2HG      LYS  18  10.061  -0.625  11.104
  114    HG3  LYS  18           3HG      LYS  18   9.766   0.904  11.934
  115    HD2  LYS  18           2HD      LYS  18   8.823   1.820  10.123
  116    HD3  LYS  18           3HD      LYS  18  10.097   1.222   9.058
  117    HE2  LYS  18           2HE      LYS  18   8.357   0.016   8.231
  118    HE3  LYS  18           3HE      LYS  18   8.859  -1.084   9.514
  119    HZ1  LYS  18           3HZ      LYS  18   6.544  -0.864   9.713
  120    HZ2  LYS  18           1HZ      LYS  18   6.590   0.818   9.532
  121    HZ3  LYS  18           2HZ      LYS  18   7.181   0.103  10.946
  122    H    GLY  19           H        GLY  19  14.080   2.656  10.316
  123    HA2  GLY  19           2HA      GLY  19  16.108   3.296  11.878
  124    HA3  GLY  19           3HA      GLY  19  15.998   1.580  12.244
  125    H    TYR  20           H        TYR  20  15.336   0.629   9.681
  126    HA   TYR  20           HA       TYR  20  17.817   0.194   8.556
  127    HB2  TYR  20           2HB      TYR  20  15.215   0.194   7.020
  128    HB3  TYR  20           3HB      TYR  20  16.670  -0.724   6.647
  129    HD1  TYR  20           HD1      TYR  20  17.382  -2.558   8.234
  130    HD2  TYR  20           HD2      TYR  20  13.578  -0.668   8.479
  131    HE1  TYR  20           HE1      TYR  20  16.536  -4.446   9.564
  132    HE2  TYR  20           HE2      TYR  20  12.722  -2.550   9.811
  133    HH   TYR  20           HH       TYR  20  14.818  -5.043  11.029
  134    H    THR  21           H        THR  21  18.409   0.769   6.226
  135    HA   THR  21           HA       THR  21  18.877   3.548   6.080
  136    HB   THR  21           HB       THR  21  20.343   1.804   5.050
  137    HG1  THR  21           HG1      THR  21  20.491   3.102   2.965
  138   HG21  THR  21          3HG2      THR  21  18.113   0.798   3.932
  139   HG22  THR  21          1HG2      THR  21  19.729   0.525   3.281
  140   HG23  THR  21          2HG2      THR  21  18.701   1.782   2.592
  141    H    GLY  22           H        GLY  22  16.366   1.503   4.789
  142    HA2  GLY  22           2HA      GLY  22  14.345   3.129   4.419
  143    HA3  GLY  22           3HA      GLY  22  15.363   3.672   3.093
  144    H    GLY  23           H        GLY  23  12.699   2.415   3.052
  145    HA2  GLY  23           2HA      GLY  23  13.154  -0.236   1.959
  146    HA3  GLY  23           3HA      GLY  23  11.602   0.568   2.139
  147    H    ASN  24           H        ASN  24  13.807  -0.520  -0.061
  148    HA   ASN  24           HA       ASN  24  12.842   1.361  -2.115
  149    HB2  ASN  24           2HB      ASN  24  15.363  -0.209  -2.493
  150    HB3  ASN  24           3HB      ASN  24  14.900   1.344  -3.185
  151   HD21  ASN  24          1HD2      ASN  24  14.212   2.791  -1.001
  152   HD22  ASN  24          2HD2      ASN  24  15.583   3.006   0.028
  153    H    CYS  25           H        CYS  25  12.356   0.503  -4.180
  154    HA   CYS  25           HA       CYS  25  11.633  -2.343  -4.100
  155    HB2  CYS  25           2HB      CYS  25  10.620  -0.280  -6.055
  156    HB3  CYS  25           3HB      CYS  25   9.937  -1.865  -5.708
  157    H    ARG  26           H        ARG  26  12.080  -3.708  -5.853
  158    HA   ARG  26           HA       ARG  26  13.795  -2.701  -7.984
  159    HB2  ARG  26           2HB      ARG  26  14.634  -4.958  -6.154
  160    HB3  ARG  26           3HB      ARG  26  15.488  -4.446  -7.604
  161    HG2  ARG  26           2HG      ARG  26  15.009  -2.669  -5.224
  162    HG3  ARG  26           3HG      ARG  26  16.472  -3.624  -5.471
  163    HD2  ARG  26           2HD      ARG  26  15.988  -2.213  -7.867
  164    HD3  ARG  26           3HD      ARG  26  15.785  -1.065  -6.543
  165    HE   ARG  26           HE       ARG  26  18.111  -2.397  -5.979
  166   HH11  ARG  26          1HH1      ARG  26  16.902  -0.512  -8.645
  167   HH12  ARG  26          2HH1      ARG  26  18.466   0.070  -9.112
  168   HH21  ARG  26          1HH2      ARG  26  20.175  -1.638  -6.584
  169   HH22  ARG  26          2HH2      ARG  26  20.327  -0.571  -7.940
  170    H    GLY  27           H        GLY  27  14.465  -4.791  -9.372
  171    HA2  GLY  27           2HA      GLY  27  11.905  -6.000 -10.090
  172    HA3  GLY  27           3HA      GLY  27  13.364  -5.996 -11.069
  173    H    LYS  28           H        LYS  28  13.161  -6.966  -7.690
  174    HA   LYS  28           HA       LYS  28  14.599  -9.342  -8.076
  175    HB2  LYS  28           2HB      LYS  28  13.704  -9.938  -5.777
  176    HB3  LYS  28           3HB      LYS  28  14.583  -8.419  -5.896
  177    HG2  LYS  28           2HG      LYS  28  11.828  -7.902  -6.376
  178    HG3  LYS  28           3HG      LYS  28  11.975  -8.872  -4.908
  179    HD2  LYS  28           2HD      LYS  28  13.816  -6.559  -5.283
  180    HD3  LYS  28           3HD      LYS  28  12.139  -6.241  -4.833
  181    HE2  LYS  28           2HE      LYS  28  14.043  -8.049  -3.348
  182    HE3  LYS  28           3HE      LYS  28  13.610  -6.408  -2.873
  183    HZ1  LYS  28           3HZ      LYS  28  11.254  -7.214  -2.799
  184    HZ2  LYS  28           1HZ      LYS  28  12.271  -7.863  -1.613
  185    HZ3  LYS  28           2HZ      LYS  28  11.849  -8.789  -2.965
  186    H    ILE  29           H        ILE  29  11.135  -8.698  -7.988
  187    HA   ILE  29           HA       ILE  29  10.626 -11.197  -9.353
  188    HB   ILE  29           HB       ILE  29   8.769 -11.753  -7.673
  189   HG12  ILE  29          2HG1      ILE  29  10.533 -10.417  -5.656
  190   HG13  ILE  29          3HG1      ILE  29   9.301  -9.468  -6.480
  191   HG21  ILE  29          1HG2      ILE  29  11.106 -12.856  -8.060
  192   HG22  ILE  29          2HG2      ILE  29  11.464 -12.182  -6.470
  193   HG23  ILE  29          3HG2      ILE  29  10.126 -13.315  -6.667
  194   HD11  ILE  29          3HD1      ILE  29   8.721 -12.011  -4.988
  195   HD12  ILE  29          1HD1      ILE  29   8.620 -10.403  -4.272
  196   HD13  ILE  29          2HD1      ILE  29   7.563 -10.838  -5.616
  197    H    ARG  30           H        ARG  30  10.159  -9.318 -10.832
  198    HA   ARG  30           HA       ARG  30   8.641  -8.131 -12.041
  199    HB2  ARG  30           2HB      ARG  30   6.507  -9.366 -10.300
  200    HB3  ARG  30           3HB      ARG  30   6.333  -8.740 -11.935
  201    HG2  ARG  30           2HG      ARG  30   8.132 -10.598 -12.461
  202    HG3  ARG  30           3HG      ARG  30   7.458 -11.319 -10.998
  203    HD2  ARG  30           2HD      ARG  30   5.472 -11.776 -11.978
  204    HD3  ARG  30           3HD      ARG  30   5.504 -10.315 -12.965
  205    HE   ARG  30           HE       ARG  30   6.510 -11.507 -14.648
  206   HH11  ARG  30          1HH1      ARG  30   6.609 -13.354 -11.698
  207   HH12  ARG  30          2HH1      ARG  30   7.173 -14.799 -12.469
  208   HH21  ARG  30          1HH2      ARG  30   7.252 -13.404 -15.674
  209   HH22  ARG  30          2HH2      ARG  30   7.539 -14.827 -14.730
  210    H    GLN  31           H        GLN  31   9.868  -6.668 -10.182
  211    HA   GLN  31           HA       GLN  31   9.748  -4.688  -9.068
  212    HB2  GLN  31           2HB      GLN  31   7.694  -4.587 -10.926
  213    HB3  GLN  31           3HB      GLN  31   6.901  -4.167  -9.414
  214    HG2  GLN  31           2HG      GLN  31   7.834  -2.152  -9.365
  215    HG3  GLN  31           3HG      GLN  31   9.430  -2.789  -9.757
  216   HE21  GLN  31          1HE2      GLN  31  10.230  -1.928 -11.521
  217   HE22  GLN  31          2HE2      GLN  31   9.343  -1.466 -12.930
  218    H    THR  32           H        THR  32   9.931  -4.855  -6.939
  219    HA   THR  32           HA       THR  32   7.571  -5.173  -5.303
  220    HB   THR  32           HB       THR  32   9.808  -7.201  -5.134
  221    HG1  THR  32           HG1      THR  32   7.683  -8.521  -5.351
  222   HG21  THR  32          3HG2      THR  32   7.464  -6.640  -3.329
  223   HG22  THR  32          1HG2      THR  32   9.173  -6.729  -2.903
  224   HG23  THR  32          2HG2      THR  32   8.297  -8.194  -3.348
  225    H    CYS  33           H        CYS  33   7.818  -4.356  -3.238
  226    HA   CYS  33           HA       CYS  33  10.126  -2.657  -2.853
  227    HB2  CYS  33           2HB      CYS  33   7.440  -2.502  -2.139
  228    HB3  CYS  33           3HB      CYS  33   8.274  -2.775  -0.613
  229    H    HIS  34           H        HIS  34  11.512  -2.702  -1.051
  230    HA   HIS  34           HA       HIS  34  11.382  -4.841   0.864
  231    HB2  HIS  34           2HB      HIS  34  12.465  -5.691  -1.401
  232    HB3  HIS  34           3HB      HIS  34  13.891  -4.885  -0.754
  233    HD1  HIS  34           HD1      HIS  34  15.192  -7.030  -0.311
  234    HD2  HIS  34           HD2      HIS  34  11.501  -6.917   1.592
  235    HE1  HIS  34           HE1      HIS  34  15.204  -8.965   1.295
  236    H    CYS  35           H        CYS  35  12.745  -4.524   2.625
  237    HA   CYS  35           HA       CYS  35  14.007  -1.875   2.710
  238    HB2  CYS  35           2HB      CYS  35  12.945  -3.694   4.869
  239    HB3  CYS  35           3HB      CYS  35  13.939  -2.285   5.227
  240    H    TYR  36           H        TYR  36  16.143  -1.649   2.929
  241    HA   TYR  36           HA       TYR  36  17.813  -3.548   4.232
  242    HB2  TYR  36           2HB      TYR  36  19.038  -4.433   2.395
  243    HB3  TYR  36           3HB      TYR  36  17.337  -4.670   2.010
  244    HD1  TYR  36           HD2      TYR  36  16.300  -2.512   0.714
  245    HD2  TYR  36           HD1      TYR  36  20.372  -3.747   0.653
  246    HE1  TYR  36           HE2      TYR  36  16.618  -1.341  -1.425
  247    HE2  TYR  36           HE1      TYR  36  20.701  -2.578  -1.486
  248    HH   TYR  36           HH       TYR  36  18.334  -0.430  -2.788
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -0.866  -1.186  -3.438
    2    HA2  GLY   1           2HA      GLY   1   1.439  -0.333  -1.817
    3    HA3  GLY   1           3HA      GLY   1   1.414  -0.438  -3.571
    4    H    PHE   2           H        PHE   2   2.392   1.782  -3.120
    5    HA   PHE   2           HA       PHE   2   0.591   3.756  -3.932
    6    HB2  PHE   2           2HB      PHE   2   0.782   5.187  -1.787
    7    HB3  PHE   2           3HB      PHE   2  -0.403   3.885  -1.817
    8    HD1  PHE   2           HD2      PHE   2   3.219   4.278  -0.990
    9    HD2  PHE   2           HD1      PHE   2  -0.564   2.663   0.106
   10    HE1  PHE   2           HE2      PHE   2   4.218   3.327   1.047
   11    HE2  PHE   2           HE1      PHE   2   0.429   1.711   2.146
   12    HZ   PHE   2           HZ       PHE   2   2.824   2.041   2.618
   13    H    GLY   3           H        GLY   3   3.228   2.767  -4.510
   14    HA2  GLY   3           2HA      GLY   3   4.633   4.805  -5.427
   15    HA3  GLY   3           3HA      GLY   3   5.017   4.939  -3.717
   16    H    CYS   4           H        CYS   4   6.610   4.239  -6.204
   17    HA   CYS   4           HA       CYS   4   8.436   2.495  -5.032
   18    HB2  CYS   4           2HB      CYS   4   6.191   1.153  -6.248
   19    HB3  CYS   4           3HB      CYS   4   7.675   0.746  -7.104
   20    HA   PRO   5           HA       PRO   5   9.531   2.942  -9.711
   21    HB2  PRO   5           2HB      PRO   5   7.654   4.035 -11.340
   22    HB3  PRO   5           3HB      PRO   5   7.759   2.299 -11.025
   23    HG2  PRO   5           2HG      PRO   5   5.942   4.339  -9.802
   24    HG3  PRO   5           3HG      PRO   5   5.567   2.699 -10.362
   25    HD2  PRO   5           2HD      PRO   5   5.950   3.294  -7.748
   26    HD3  PRO   5           3HD      PRO   5   6.389   1.721  -8.443
   27    H    TRP   6           H        TRP   6   7.211   5.477  -8.756
   28    HA   TRP   6           HA       TRP   6   9.326   7.468  -9.262
   29    HB2  TRP   6           2HB      TRP   6   7.073   8.959  -9.423
   30    HB3  TRP   6           3HB      TRP   6   7.853   8.215 -10.817
   31    HD1  TRP   6           HD1      TRP   6   6.548   6.325 -12.075
   32    HE1  TRP   6           HE1      TRP   6   4.175   5.352 -11.853
   33    HE3  TRP   6           HE3      TRP   6   5.234   8.408  -7.596
   34    HZ2  TRP   6           HZ2      TRP   6   2.030   5.455 -10.021
   35    HZ3  TRP   6           HZ3      TRP   6   3.003   7.921  -6.678
   36    HH2  TRP   6           HH2      TRP   6   1.436   6.476  -7.868
   37    H    ASN   7           H        ASN   7   6.711   6.413  -7.182
   38    HA   ASN   7           HA       ASN   7   7.210   8.573  -5.291
   39    HB2  ASN   7           2HB      ASN   7   5.025   6.710  -5.825
   40    HB3  ASN   7           3HB      ASN   7   5.390   6.850  -4.108
   41   HD21  ASN   7          1HD2      ASN   7   3.260   7.792  -3.972
   42   HD22  ASN   7          2HD2      ASN   7   3.049   9.470  -4.323
   43    H    ALA   8           H        ALA   8   9.201   6.442  -5.858
   44    HA   ALA   8           HA       ALA   8   9.410   4.498  -3.923
   45    HB1  ALA   8           1HB      ALA   8  11.772   6.109  -4.853
   46    HB2  ALA   8           2HB      ALA   8  11.722   4.410  -4.383
   47    HB3  ALA   8           3HB      ALA   8  10.955   4.933  -5.882
   48    H    TYR   9           H        TYR   9   9.961   7.940  -3.626
   49    HA   TYR   9           HA       TYR   9  11.425   8.077  -1.288
   50    HB2  TYR   9           2HB      TYR   9   9.832   9.863  -2.858
   51    HB3  TYR   9           3HB      TYR   9   9.464  10.124  -1.157
   52    HD1  TYR   9           HD2      TYR   9  12.649   9.257  -2.908
   53    HD2  TYR   9           HD1      TYR   9  10.555  12.041  -0.466
   54    HE1  TYR   9           HE2      TYR   9  14.705  10.586  -2.671
   55    HE2  TYR   9           HE1      TYR   9  12.605  13.379  -0.224
   56    HH   TYR   9           HH       TYR   9  15.097  13.283  -2.117
   57    H    GLU  10           H        GLU  10   8.077   7.247  -1.749
   58    HA   GLU  10           HA       GLU  10   7.294   7.571   0.980
   59    HB2  GLU  10           2HB      GLU  10   5.579   7.677  -0.678
   60    HB3  GLU  10           3HB      GLU  10   6.045   6.122  -1.352
   61    HG2  GLU  10           2HG      GLU  10   4.013   5.899  -0.079
   62    HG3  GLU  10           3HG      GLU  10   5.320   5.019   0.712
   63    H    CYS  11           H        CYS  11   8.212   4.793  -1.027
   64    HA   CYS  11           HA       CYS  11   7.897   2.872   1.047
   65    HB2  CYS  11           2HB      CYS  11   8.124   2.658  -1.615
   66    HB3  CYS  11           3HB      CYS  11   9.799   2.342  -1.175
   67    H    ASP  12           H        ASP  12  10.481   4.976   0.053
   68    HA   ASP  12           HA       ASP  12  12.576   3.608   1.421
   69    HB2  ASP  12           2HB      ASP  12  13.219   5.063  -0.350
   70    HB3  ASP  12           3HB      ASP  12  12.316   6.411   0.335
   71    H    ARG  13           H        ARG  13  10.855   6.648   2.155
   72    HA   ARG  13           HA       ARG  13  11.957   7.040   4.691
   73    HB2  ARG  13           2HB      ARG  13  10.313   8.691   5.018
   74    HB3  ARG  13           3HB      ARG  13  10.577   8.663   3.280
   75    HG2  ARG  13           2HG      ARG  13   8.321   8.662   3.261
   76    HG3  ARG  13           3HG      ARG  13   8.563   6.921   3.418
   77    HD2  ARG  13           2HD      ARG  13   7.198   7.105   5.188
   78    HD3  ARG  13           3HD      ARG  13   8.630   7.711   6.018
   79    HE   ARG  13           HE       ARG  13   7.702   9.812   6.033
   80   HH11  ARG  13          1HH1      ARG  13   5.898   7.755   3.880
   81   HH12  ARG  13          2HH1      ARG  13   4.612   8.894   3.659
   82   HH21  ARG  13          1HH2      ARG  13   6.015  11.320   5.750
   83   HH22  ARG  13          2HH2      ARG  13   4.680  10.922   4.722
   84    H    HIS  14           H        HIS  14   9.560   4.825   3.613
   85    HA   HIS  14           HA       HIS  14   8.085   4.410   5.948
   86    HB2  HIS  14           2HB      HIS  14   7.414   3.458   3.806
   87    HB3  HIS  14           3HB      HIS  14   8.843   2.429   3.791
   88    HD1  HIS  14           HD1      HIS  14   5.430   2.710   5.227
   89    HD2  HIS  14           HD2      HIS  14   8.737   0.217   5.553
   90    HE1  HIS  14           HE1      HIS  14   4.610   0.659   6.430
   91    H    CYS  15           H        CYS  15  11.127   2.957   4.864
   92    HA   CYS  15           HA       CYS  15  11.349   1.430   7.333
   93    HB2  CYS  15           2HB      CYS  15  13.218   1.602   4.958
   94    HB3  CYS  15           3HB      CYS  15  13.382   0.489   6.312
   95    H    VAL  16           H        VAL  16  12.688   4.271   5.808
   96    HA   VAL  16           HA       VAL  16  14.997   4.663   7.289
   97    HB   VAL  16           HB       VAL  16  13.067   6.774   6.315
   98   HG11  VAL  16          1HG1      VAL  16  15.790   6.906   7.514
   99   HG12  VAL  16          2HG1      VAL  16  15.364   8.052   6.242
  100   HG13  VAL  16          3HG1      VAL  16  14.410   7.984   7.725
  101   HG21  VAL  16          3HG2      VAL  16  13.748   6.269   4.263
  102   HG22  VAL  16          1HG2      VAL  16  15.417   6.584   4.738
  103   HG23  VAL  16          2HG2      VAL  16  14.744   4.963   4.906
  104    H    SER  17           H        SER  17  11.677   5.002   8.236
  105    HA   SER  17           HA       SER  17  12.245   6.555  10.597
  106    HB2  SER  17           2HB      SER  17  10.094   7.006   9.912
  107    HB3  SER  17           3HB      SER  17   9.812   5.358   9.353
  108    HG   SER  17           HG       SER  17   9.006   6.397  11.598
  109    H    LYS  18           H        LYS  18  11.720   3.179   9.792
  110    HA   LYS  18           HA       LYS  18  11.515   2.242  12.470
  111    HB2  LYS  18           2HB      LYS  18  11.957   0.969   9.800
  112    HB3  LYS  18           3HB      LYS  18  12.246   0.022  11.253
  113    HG2  LYS  18           2HG      LYS  18  10.079  -0.503  11.036
  114    HG3  LYS  18           3HG      LYS  18   9.820   1.055  11.823
  115    HD2  LYS  18           2HD      LYS  18   8.897   1.935   9.987
  116    HD3  LYS  18           3HD      LYS  18  10.177   1.306   8.948
  117    HE2  LYS  18           2HE      LYS  18   8.397   0.133   8.126
  118    HE3  LYS  18           3HE      LYS  18   8.931  -0.978   9.386
  119    HZ1  LYS  18           3HZ      LYS  18   7.269   0.051  10.870
  120    HZ2  LYS  18           1HZ      LYS  18   6.574  -0.711   9.529
  121    HZ3  LYS  18           2HZ      LYS  18   6.704   0.975   9.571
  122    H    GLY  19           H        GLY  19  14.191   2.680  10.218
  123    HA2  GLY  19           2HA      GLY  19  16.235   3.277  11.754
  124    HA3  GLY  19           3HA      GLY  19  16.068   1.580  12.179
  125    H    TYR  20           H        TYR  20  15.357   0.599   9.619
  126    HA   TYR  20           HA       TYR  20  17.821   0.006   8.529
  127    HB2  TYR  20           2HB      TYR  20  15.237   0.118   6.966
  128    HB3  TYR  20           3HB      TYR  20  16.642  -0.885   6.626
  129    HD1  TYR  20           HD2      TYR  20  17.321  -2.537   8.561
  130    HD2  TYR  20           HD1      TYR  20  13.459  -0.808   8.121
  131    HE1  TYR  20           HE2      TYR  20  16.361  -4.349   9.920
  132    HE2  TYR  20           HE1      TYR  20  12.488  -2.614   9.479
  133    HH   TYR  20           HH       TYR  20  14.531  -5.068  11.001
  134    H    THR  21           H        THR  21  18.481   0.505   6.206
  135    HA   THR  21           HA       THR  21  19.090   3.252   6.008
  136    HB   THR  21           HB       THR  21  20.482   1.414   5.039
  137    HG1  THR  21           HG1      THR  21  19.770   3.228   2.985
  138   HG21  THR  21          3HG2      THR  21  18.687   0.095   4.030
  139   HG22  THR  21          1HG2      THR  21  19.889   0.548   2.822
  140   HG23  THR  21          2HG2      THR  21  18.349   1.405   2.899
  141    H    GLY  22           H        GLY  22  16.510   1.302   4.698
  142    HA2  GLY  22           2HA      GLY  22  14.575   3.022   4.268
  143    HA3  GLY  22           3HA      GLY  22  15.641   3.485   2.949
  144    H    GLY  23           H        GLY  23  12.909   2.334   2.931
  145    HA2  GLY  23           2HA      GLY  23  13.310  -0.327   1.812
  146    HA3  GLY  23           3HA      GLY  23  11.766   0.467   2.086
  147    H    ASN  24           H        ASN  24  13.869  -0.564  -0.242
  148    HA   ASN  24           HA       ASN  24  12.818   1.368  -2.205
  149    HB2  ASN  24           2HB      ASN  24  15.264  -0.254  -2.778
  150    HB3  ASN  24           3HB      ASN  24  14.815   1.342  -3.372
  151   HD21  ASN  24          1HD2      ASN  24  14.326   2.737  -1.123
  152   HD22  ASN  24          2HD2      ASN  24  15.754   2.851  -0.157
  153    H    CYS  25           H        CYS  25  12.343   0.536  -4.330
  154    HA   CYS  25           HA       CYS  25  11.465  -2.268  -4.233
  155    HB2  CYS  25           2HB      CYS  25  10.504  -0.135  -6.143
  156    HB3  CYS  25           3HB      CYS  25   9.768  -1.702  -5.824
  157    H    ARG  26           H        ARG  26  11.993  -3.697  -5.843
  158    HA   ARG  26           HA       ARG  26  13.576  -2.758  -8.107
  159    HB2  ARG  26           2HB      ARG  26  14.547  -4.920  -6.229
  160    HB3  ARG  26           3HB      ARG  26  15.341  -4.406  -7.711
  161    HG2  ARG  26           2HG      ARG  26  14.849  -2.574  -5.379
  162    HG3  ARG  26           3HG      ARG  26  16.328  -3.512  -5.592
  163    HD2  ARG  26           2HD      ARG  26  15.891  -2.246  -8.044
  164    HD3  ARG  26           3HD      ARG  26  15.533  -1.028  -6.821
  165    HE   ARG  26           HE       ARG  26  17.976  -2.401  -6.287
  166   HH11  ARG  26          1HH1      ARG  26  16.538   0.131  -8.195
  167   HH12  ARG  26          2HH1      ARG  26  18.021   1.006  -8.387
  168   HH21  ARG  26          1HH2      ARG  26  19.934  -1.258  -6.533
  169   HH22  ARG  26          2HH2      ARG  26  19.952   0.215  -7.443
  170    H    GLY  27           H        GLY  27  14.325  -5.053  -9.264
  171    HA2  GLY  27           2HA      GLY  27  11.750  -6.256  -9.947
  172    HA3  GLY  27           3HA      GLY  27  13.235  -6.382 -10.878
  173    H    LYS  28           H        LYS  28  13.038  -6.989  -7.431
  174    HA   LYS  28           HA       LYS  28  14.383  -9.427  -7.543
  175    HB2  LYS  28           2HB      LYS  28  13.410  -9.779  -5.223
  176    HB3  LYS  28           3HB      LYS  28  14.333  -8.301  -5.464
  177    HG2  LYS  28           2HG      LYS  28  11.602  -7.774  -6.069
  178    HG3  LYS  28           3HG      LYS  28  11.694  -8.587  -4.505
  179    HD2  LYS  28           2HD      LYS  28  13.262  -6.135  -5.305
  180    HD3  LYS  28           3HD      LYS  28  11.826  -6.146  -4.278
  181    HE2  LYS  28           2HE      LYS  28  14.514  -7.378  -3.699
  182    HE3  LYS  28           3HE      LYS  28  13.747  -6.030  -2.861
  183    HZ1  LYS  28           3HZ      LYS  28  12.782  -8.839  -2.883
  184    HZ2  LYS  28           1HZ      LYS  28  12.016  -7.548  -2.102
  185    HZ3  LYS  28           2HZ      LYS  28  13.544  -8.060  -1.589
  186    H    ILE  29           H        ILE  29  10.933  -8.716  -7.615
  187    HA   ILE  29           HA       ILE  29  10.410 -11.331  -8.738
  188    HB   ILE  29           HB       ILE  29   8.496 -11.687  -7.075
  189   HG12  ILE  29          2HG1      ILE  29  10.063 -10.374  -4.970
  190   HG13  ILE  29          3HG1      ILE  29   9.320  -9.249  -6.102
  191   HG21  ILE  29          1HG2      ILE  29  11.102 -12.013  -5.680
  192   HG22  ILE  29          2HG2      ILE  29   9.787 -13.166  -5.905
  193   HG23  ILE  29          3HG2      ILE  29  10.879 -12.803  -7.241
  194   HD11  ILE  29          3HD1      ILE  29   7.701 -11.434  -4.871
  195   HD12  ILE  29          1HD1      ILE  29   8.036  -9.951  -3.979
  196   HD13  ILE  29          2HD1      ILE  29   7.178  -9.880  -5.519
  197    H    ARG  30           H        ARG  30  10.069  -9.506 -10.373
  198    HA   ARG  30           HA       ARG  30   8.625  -8.402 -11.741
  199    HB2  ARG  30           2HB      ARG  30   6.389  -9.535 -10.062
  200    HB3  ARG  30           3HB      ARG  30   6.319  -9.019 -11.742
  201    HG2  ARG  30           2HG      ARG  30   8.291 -10.976 -11.691
  202    HG3  ARG  30           3HG      ARG  30   7.019 -11.584 -10.630
  203    HD2  ARG  30           2HD      ARG  30   5.372 -11.215 -12.405
  204    HD3  ARG  30           3HD      ARG  30   6.649 -10.614 -13.462
  205    HE   ARG  30           HE       ARG  30   6.011 -13.338 -12.929
  206   HH11  ARG  30          1HH1      ARG  30   8.642 -11.175 -13.651
  207   HH12  ARG  30          2HH1      ARG  30   9.624 -12.402 -14.379
  208   HH21  ARG  30          1HH2      ARG  30   7.295 -14.963 -13.886
  209   HH22  ARG  30          2HH2      ARG  30   8.856 -14.557 -14.514
  210    H    GLN  31           H        GLN  31   9.727  -6.760 -10.031
  211    HA   GLN  31           HA       GLN  31   9.534  -4.714  -9.056
  212    HB2  GLN  31           2HB      GLN  31   7.323  -4.916 -10.844
  213    HB3  GLN  31           3HB      GLN  31   6.772  -4.106  -9.384
  214    HG2  GLN  31           2HG      GLN  31   7.586  -2.241 -10.260
  215    HG3  GLN  31           3HG      GLN  31   9.188  -2.893  -9.919
  216   HE21  GLN  31          1HE2      GLN  31  10.241  -4.105 -11.614
  217   HE22  GLN  31          2HE2      GLN  31   9.912  -3.721 -13.266
  218    H    THR  32           H        THR  32   9.747  -4.895  -6.917
  219    HA   THR  32           HA       THR  32   7.374  -5.003  -5.275
  220    HB   THR  32           HB       THR  32   9.493  -7.128  -4.900
  221    HG1  THR  32           HG1      THR  32   6.815  -7.316  -5.866
  222   HG21  THR  32          3HG2      THR  32   6.903  -6.559  -3.457
  223   HG22  THR  32          1HG2      THR  32   8.533  -6.461  -2.792
  224   HG23  THR  32          2HG2      THR  32   7.859  -8.026  -3.247
  225    H    CYS  33           H        CYS  33   7.711  -4.252  -3.163
  226    HA   CYS  33           HA       CYS  33  10.081  -2.615  -2.865
  227    HB2  CYS  33           2HB      CYS  33   7.394  -2.466  -1.989
  228    HB3  CYS  33           3HB      CYS  33   8.394  -2.570  -0.543
  229    H    HIS  34           H        HIS  34  11.450  -2.652  -1.013
  230    HA   HIS  34           HA       HIS  34  11.320  -4.836   0.850
  231    HB2  HIS  34           2HB      HIS  34  12.363  -5.739  -1.344
  232    HB3  HIS  34           3HB      HIS  34  13.774  -4.790  -0.886
  233    HD1  HIS  34           HD1      HIS  34  15.395  -6.547  -0.181
  234    HD2  HIS  34           HD2      HIS  34  11.650  -7.080   1.537
  235    HE1  HIS  34           HE1      HIS  34  15.672  -8.427   1.466
  236    H    CYS  35           H        CYS  35  12.790  -4.619   2.583
  237    HA   CYS  35           HA       CYS  35  13.994  -1.942   2.755
  238    HB2  CYS  35           2HB      CYS  35  12.893  -3.814   4.842
  239    HB3  CYS  35           3HB      CYS  35  13.945  -2.469   5.273
  240    H    TYR  36           H        TYR  36  16.132  -1.740   2.875
  241    HA   TYR  36           HA       TYR  36  17.750  -4.162   3.098
  242    HB2  TYR  36           2HB      TYR  36  18.566  -1.350   2.337
  243    HB3  TYR  36           3HB      TYR  36  19.588  -2.780   2.253
  244    HD1  TYR  36           HD2      TYR  36  16.514  -1.244   0.853
  245    HD2  TYR  36           HD1      TYR  36  19.567  -4.164   0.351
  246    HE1  TYR  36           HE2      TYR  36  15.730  -1.661  -1.441
  247    HE2  TYR  36           HE1      TYR  36  18.792  -4.588  -1.945
  248    HH   TYR  36           HH       TYR  36  16.880  -2.586  -3.638
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   0.844  -1.015   0.305
    2    HA2  GLY   1           2HA      GLY   1   2.685  -0.159  -0.797
    3    HA3  GLY   1           3HA      GLY   1   2.245  -1.368  -1.994
    4    H    PHE   2           H        PHE   2   1.991   2.005  -1.087
    5    HA   PHE   2           HA       PHE   2   0.976   2.624  -3.778
    6    HB2  PHE   2           2HB      PHE   2   1.008   4.498  -1.413
    7    HB3  PHE   2           3HB      PHE   2   0.098   4.664  -2.911
    8    HD1  PHE   2           HD2      PHE   2   0.322   2.865   0.283
    9    HD2  PHE   2           HD1      PHE   2  -1.984   3.549  -3.228
   10    HE1  PHE   2           HE2      PHE   2  -1.603   1.751   1.335
   11    HE2  PHE   2           HE1      PHE   2  -3.914   2.437  -2.181
   12    HZ   PHE   2           HZ       PHE   2  -3.724   1.535   0.103
   13    H    GLY   3           H        GLY   3   3.192   2.287  -4.565
   14    HA2  GLY   3           2HA      GLY   3   4.587   4.209  -5.552
   15    HA3  GLY   3           3HA      GLY   3   5.021   4.490  -3.873
   16    H    CYS   4           H        CYS   4   6.583   3.664  -6.320
   17    HA   CYS   4           HA       CYS   4   8.467   2.037  -5.069
   18    HB2  CYS   4           2HB      CYS   4   6.246   0.577  -6.191
   19    HB3  CYS   4           3HB      CYS   4   7.735   0.158  -7.032
   20    HA   PRO   5           HA       PRO   5   9.511   2.250  -9.776
   21    HB2  PRO   5           2HB      PRO   5   7.590   3.193 -11.447
   22    HB3  PRO   5           3HB      PRO   5   7.748   1.482 -11.033
   23    HG2  PRO   5           2HG      PRO   5   5.882   3.537  -9.912
   24    HG3  PRO   5           3HG      PRO   5   5.550   1.857 -10.373
   25    HD2  PRO   5           2HD      PRO   5   5.937   2.612  -7.802
   26    HD3  PRO   5           3HD      PRO   5   6.415   1.015  -8.410
   27    H    TRP   6           H        TRP   6   7.131   4.767  -8.933
   28    HA   TRP   6           HA       TRP   6   9.182   6.785  -9.574
   29    HB2  TRP   6           2HB      TRP   6   6.884   8.198  -9.802
   30    HB3  TRP   6           3HB      TRP   6   7.683   7.406 -11.157
   31    HD1  TRP   6           HD1      TRP   6   6.436   5.406 -12.303
   32    HE1  TRP   6           HE1      TRP   6   4.096   4.374 -12.019
   33    HE3  TRP   6           HE3      TRP   6   5.065   7.694  -7.942
   34    HZ2  TRP   6           HZ2      TRP   6   1.952   4.512 -10.188
   35    HZ3  TRP   6           HZ3      TRP   6   2.853   7.190  -6.991
   36    HH2  TRP   6           HH2      TRP   6   1.329   5.633  -8.092
   37    H    ASN   7           H        ASN   7   6.598   5.788  -7.424
   38    HA   ASN   7           HA       ASN   7   7.060   8.061  -5.659
   39    HB2  ASN   7           2HB      ASN   7   4.916   6.110  -6.065
   40    HB3  ASN   7           3HB      ASN   7   5.275   6.400  -4.365
   41   HD21  ASN   7          1HD2      ASN   7   3.184   7.339  -4.203
   42   HD22  ASN   7          2HD2      ASN   7   2.908   8.960  -4.731
   43    H    ALA   8           H        ALA   8   9.139   6.038  -6.082
   44    HA   ALA   8           HA       ALA   8   9.403   4.154  -4.096
   45    HB1  ALA   8           1HB      ALA   8  11.876   4.542  -4.310
   46    HB2  ALA   8           2HB      ALA   8  11.025   4.252  -5.828
   47    HB3  ALA   8           3HB      ALA   8  11.497   5.891  -5.382
   48    H    TYR   9           H        TYR   9   9.718   7.624  -3.861
   49    HA   TYR   9           HA       TYR   9  11.127   7.923  -1.509
   50    HB2  TYR   9           2HB      TYR   9   9.792   9.615  -3.182
   51    HB3  TYR   9           3HB      TYR   9   8.781   9.689  -1.742
   52    HD1  TYR   9           HD1      TYR   9   9.677  10.570   0.362
   53    HD2  TYR   9           HD2      TYR   9  12.021  10.531  -3.189
   54    HE1  TYR   9           HE1      TYR   9  11.249  12.158   1.390
   55    HE2  TYR   9           HE2      TYR   9  13.600  12.118  -2.170
   56    HH   TYR   9           HH       TYR   9  13.923  12.671   0.911
   57    H    GLU  10           H        GLU  10   7.855   6.825  -1.987
   58    HA   GLU  10           HA       GLU  10   6.976   7.149   0.697
   59    HB2  GLU  10           2HB      GLU  10   5.319   6.955  -1.012
   60    HB3  GLU  10           3HB      GLU  10   5.990   5.432  -1.579
   61    HG2  GLU  10           2HG      GLU  10   4.988   5.626   1.219
   62    HG3  GLU  10           3HG      GLU  10   3.836   5.480  -0.107
   63    H    CYS  11           H        CYS  11   7.963   4.246  -1.126
   64    HA   CYS  11           HA       CYS  11   7.915   2.484   1.054
   65    HB2  CYS  11           2HB      CYS  11   8.238   2.148  -1.589
   66    HB3  CYS  11           3HB      CYS  11   9.920   2.013  -1.088
   67    H    ASP  12           H        ASP  12  10.252   4.833   0.053
   68    HA   ASP  12           HA       ASP  12  12.470   3.753   1.492
   69    HB2  ASP  12           2HB      ASP  12  13.069   5.200  -0.256
   70    HB3  ASP  12           3HB      ASP  12  11.886   6.415   0.222
   71    H    ARG  13           H        ARG  13  10.581   6.726   2.079
   72    HA   ARG  13           HA       ARG  13  11.522   7.205   4.651
   73    HB2  ARG  13           2HB      ARG  13   8.986   7.962   3.230
   74    HB3  ARG  13           3HB      ARG  13   9.242   8.413   4.911
   75    HG2  ARG  13           2HG      ARG  13  11.490   9.060   3.162
   76    HG3  ARG  13           3HG      ARG  13   9.989   9.889   2.745
   77    HD2  ARG  13           2HD      ARG  13  11.475  11.100   4.371
   78    HD3  ARG  13           3HD      ARG  13   9.815  10.846   4.908
   79    HE   ARG  13           HE       ARG  13  11.656   8.807   5.770
   80   HH11  ARG  13          1HH1      ARG  13  10.254  11.910   6.495
   81   HH12  ARG  13          2HH1      ARG  13  10.549  11.792   8.198
   82   HH21  ARG  13          1HH2      ARG  13  12.050   8.639   8.011
   83   HH22  ARG  13          2HH2      ARG  13  11.571   9.931   9.059
   84    H    HIS  14           H        HIS  14   9.185   4.920   3.521
   85    HA   HIS  14           HA       HIS  14   7.736   4.478   5.884
   86    HB2  HIS  14           2HB      HIS  14   6.976   3.594   3.753
   87    HB3  HIS  14           3HB      HIS  14   8.406   2.572   3.632
   88    HD1  HIS  14           HD1      HIS  14   5.275   2.954   5.726
   89    HD2  HIS  14           HD2      HIS  14   8.163   0.114   4.802
   90    HE1  HIS  14           HE1      HIS  14   4.458   0.807   6.750
   91    H    CYS  15           H        CYS  15  10.769   3.105   4.706
   92    HA   CYS  15           HA       CYS  15  11.023   1.439   7.081
   93    HB2  CYS  15           2HB      CYS  15  11.915   1.210   4.440
   94    HB3  CYS  15           3HB      CYS  15  13.371   1.517   5.382
   95    H    VAL  16           H        VAL  16  12.244   4.418   5.765
   96    HA   VAL  16           HA       VAL  16  14.571   4.744   7.267
   97    HB   VAL  16           HB       VAL  16  12.627   6.871   6.356
   98   HG11  VAL  16          1HG1      VAL  16  14.628   8.362   6.490
   99   HG12  VAL  16          2HG1      VAL  16  14.032   7.799   8.053
  100   HG13  VAL  16          3HG1      VAL  16  15.469   7.065   7.339
  101   HG21  VAL  16          3HG2      VAL  16  14.979   6.848   4.807
  102   HG22  VAL  16          1HG2      VAL  16  14.436   5.174   4.929
  103   HG23  VAL  16          2HG2      VAL  16  13.346   6.411   4.304
  104    H    SER  17           H        SER  17  11.262   4.877   8.221
  105    HA   SER  17           HA       SER  17  11.772   6.362  10.652
  106    HB2  SER  17           2HB      SER  17   9.560   6.179   9.164
  107    HB3  SER  17           3HB      SER  17   9.233   4.850  10.276
  108    HG   SER  17           HG       SER  17   9.759   6.471  11.970
  109    H    LYS  18           H        LYS  18  11.207   3.025   9.681
  110    HA   LYS  18           HA       LYS  18  10.945   1.907  12.246
  111    HB2  LYS  18           2HB      LYS  18  11.635   0.862   9.539
  112    HB3  LYS  18           3HB      LYS  18  11.946  -0.170  10.929
  113    HG2  LYS  18           2HG      LYS  18   9.839  -0.849  10.488
  114    HG3  LYS  18           3HG      LYS  18   9.442   0.541  11.502
  115    HD2  LYS  18           2HD      LYS  18   8.578   1.706   9.778
  116    HD3  LYS  18           3HD      LYS  18   9.821   1.154   8.653
  117    HE2  LYS  18           2HE      LYS  18   8.057   0.049   7.753
  118    HE3  LYS  18           3HE      LYS  18   8.503  -1.143   8.973
  119    HZ1  LYS  18           3HZ      LYS  18   6.865   0.303  10.412
  120    HZ2  LYS  18           1HZ      LYS  18   6.299  -0.939   9.411
  121    HZ3  LYS  18           2HZ      LYS  18   6.210   0.669   8.896
  122    H    GLY  19           H        GLY  19  13.782   2.526  10.225
  123    HA2  GLY  19           2HA      GLY  19  15.662   3.174  11.953
  124    HA3  GLY  19           3HA      GLY  19  15.537   1.457  12.307
  125    H    TYR  20           H        TYR  20  14.984   0.728   9.533
  126    HA   TYR  20           HA       TYR  20  17.615   0.263   8.670
  127    HB2  TYR  20           2HB      TYR  20  15.116   0.176   6.970
  128    HB3  TYR  20           3HB      TYR  20  16.629  -0.670   6.669
  129    HD1  TYR  20           HD2      TYR  20  17.282  -2.583   8.097
  130    HD2  TYR  20           HD1      TYR  20  13.495  -0.686   8.504
  131    HE1  TYR  20           HE2      TYR  20  16.451  -4.525   9.357
  132    HE2  TYR  20           HE1      TYR  20  12.654  -2.622   9.765
  133    HH   TYR  20           HH       TYR  20  13.260  -4.519  10.849
  134    H    THR  21           H        THR  21  18.475   0.902   6.503
  135    HA   THR  21           HA       THR  21  18.843   3.667   6.353
  136    HB   THR  21           HB       THR  21  20.399   1.959   5.400
  137    HG1  THR  21           HG1      THR  21  20.595   4.148   4.780
  138   HG21  THR  21          3HG2      THR  21  19.964   1.140   3.121
  139   HG22  THR  21          1HG2      THR  21  18.357   1.863   3.176
  140   HG23  THR  21          2HG2      THR  21  18.768   0.543   4.271
  141    H    GLY  22           H        GLY  22  16.464   1.591   4.866
  142    HA2  GLY  22           2HA      GLY  22  14.460   3.252   4.392
  143    HA3  GLY  22           3HA      GLY  22  15.548   3.725   3.095
  144    H    GLY  23           H        GLY  23  12.872   2.529   2.954
  145    HA2  GLY  23           2HA      GLY  23  13.378  -0.159   1.932
  146    HA3  GLY  23           3HA      GLY  23  11.805   0.602   2.127
  147    H    ASN  24           H        ASN  24  13.933  -0.491  -0.106
  148    HA   ASN  24           HA       ASN  24  12.920   1.372  -2.153
  149    HB2  ASN  24           2HB      ASN  24  15.461  -0.119  -2.621
  150    HB3  ASN  24           3HB      ASN  24  14.962   1.463  -3.212
  151   HD21  ASN  24          1HD2      ASN  24  14.377   2.862  -1.030
  152   HD22  ASN  24          2HD2      ASN  24  15.749   3.004   0.011
  153    H    CYS  25           H        CYS  25  12.364   0.493  -4.172
  154    HA   CYS  25           HA       CYS  25  11.749  -2.374  -4.072
  155    HB2  CYS  25           2HB      CYS  25  10.646  -0.342  -6.014
  156    HB3  CYS  25           3HB      CYS  25  10.021  -1.952  -5.671
  157    H    ARG  26           H        ARG  26  12.137  -3.717  -5.885
  158    HA   ARG  26           HA       ARG  26  13.754  -2.704  -8.065
  159    HB2  ARG  26           2HB      ARG  26  14.825  -4.634  -6.012
  160    HB3  ARG  26           3HB      ARG  26  15.499  -4.514  -7.632
  161    HG2  ARG  26           2HG      ARG  26  15.348  -2.276  -5.622
  162    HG3  ARG  26           3HG      ARG  26  16.787  -3.217  -6.022
  163    HD2  ARG  26           2HD      ARG  26  16.548  -2.438  -8.381
  164    HD3  ARG  26           3HD      ARG  26  15.241  -1.382  -7.846
  165    HE   ARG  26           HE       ARG  26  16.796   0.033  -6.920
  166   HH11  ARG  26          1HH1      ARG  26  18.316  -2.983  -7.765
  167   HH12  ARG  26          2HH1      ARG  26  19.924  -2.401  -7.485
  168   HH21  ARG  26          1HH2      ARG  26  18.908   0.811  -6.549
  169   HH22  ARG  26          2HH2      ARG  26  20.259  -0.243  -6.793
  170    H    GLY  27           H        GLY  27  14.408  -4.639  -9.531
  171    HA2  GLY  27           2HA      GLY  27  11.964  -6.162  -9.975
  172    HA3  GLY  27           3HA      GLY  27  13.314  -6.008 -11.090
  173    H    LYS  28           H        LYS  28  13.124  -7.113  -7.712
  174    HA   LYS  28           HA       LYS  28  14.871  -9.326  -8.287
  175    HB2  LYS  28           2HB      LYS  28  14.462  -9.890  -5.867
  176    HB3  LYS  28           3HB      LYS  28  15.136  -8.292  -6.156
  177    HG2  LYS  28           2HG      LYS  28  12.210  -8.373  -6.060
  178    HG3  LYS  28           3HG      LYS  28  13.011  -8.821  -4.553
  179    HD2  LYS  28           2HD      LYS  28  13.837  -6.365  -6.060
  180    HD3  LYS  28           3HD      LYS  28  12.445  -6.334  -4.975
  181    HE2  LYS  28           2HE      LYS  28  14.046  -5.750  -3.476
  182    HE3  LYS  28           3HE      LYS  28  14.204  -7.502  -3.349
  183    HZ1  LYS  28           3HZ      LYS  28  16.245  -5.862  -3.835
  184    HZ2  LYS  28           1HZ      LYS  28  15.799  -6.248  -5.421
  185    HZ3  LYS  28           2HZ      LYS  28  16.208  -7.478  -4.334
  186    H    ILE  29           H        ILE  29  11.437  -8.841  -7.783
  187    HA   ILE  29           HA       ILE  29  10.900 -11.471  -8.865
  188    HB   ILE  29           HB       ILE  29   9.270 -11.964  -6.970
  189   HG12  ILE  29          2HG1      ILE  29  11.081 -10.266  -5.286
  190   HG13  ILE  29          3HG1      ILE  29   9.674  -9.545  -6.060
  191   HG21  ILE  29          1HG2      ILE  29  11.518 -13.061  -7.421
  192   HG22  ILE  29          2HG2      ILE  29  12.152 -12.044  -6.128
  193   HG23  ILE  29          3HG2      ILE  29  10.875 -13.211  -5.786
  194   HD11  ILE  29          3HD1      ILE  29   9.739 -10.795  -3.609
  195   HD12  ILE  29          1HD1      ILE  29   8.298 -10.401  -4.546
  196   HD13  ILE  29          2HD1      ILE  29   9.023 -12.004  -4.675
  197    H    ARG  30           H        ARG  30  10.112  -9.972 -10.516
  198    HA   ARG  30           HA       ARG  30   8.411  -8.993 -11.665
  199    HB2  ARG  30           2HB      ARG  30   7.178 -10.968 -10.555
  200    HB3  ARG  30           3HB      ARG  30   6.536  -9.765  -9.444
  201    HG2  ARG  30           2HG      ARG  30   6.068  -8.647 -11.915
  202    HG3  ARG  30           3HG      ARG  30   5.782 -10.368 -12.182
  203    HD2  ARG  30           2HD      ARG  30   4.517  -9.969  -9.806
  204    HD3  ARG  30           3HD      ARG  30   4.260  -8.417 -10.603
  205    HE   ARG  30           HE       ARG  30   3.044 -10.916 -11.271
  206   HH11  ARG  30          1HH1      ARG  30   4.108  -7.862 -12.561
  207   HH12  ARG  30          2HH1      ARG  30   2.997  -7.888 -13.890
  208   HH21  ARG  30          1HH2      ARG  30   1.577 -10.962 -13.017
  209   HH22  ARG  30          2HH2      ARG  30   1.557  -9.652 -14.148
  210    H    GLN  31           H        GLN  31   9.952  -7.421  -9.870
  211    HA   GLN  31           HA       GLN  31  10.017  -5.307  -9.034
  212    HB2  GLN  31           2HB      GLN  31   8.233  -5.173 -11.081
  213    HB3  GLN  31           3HB      GLN  31   7.234  -4.629  -9.740
  214    HG2  GLN  31           2HG      GLN  31   8.791  -2.862  -9.237
  215    HG3  GLN  31           3HG      GLN  31   9.902  -3.448 -10.474
  216   HE21  GLN  31          1HE2      GLN  31   9.857  -2.332 -12.274
  217   HE22  GLN  31          2HE2      GLN  31   8.494  -1.497 -12.930
  218    H    THR  32           H        THR  32  10.082  -5.355  -6.881
  219    HA   THR  32           HA       THR  32   7.590  -5.121  -5.405
  220    HB   THR  32           HB       THR  32   8.071  -7.570  -5.474
  221    HG1  THR  32           HG1      THR  32   6.924  -6.814  -3.708
  222   HG21  THR  32          3HG2      THR  32  10.499  -7.503  -5.507
  223   HG22  THR  32          1HG2      THR  32   9.944  -8.415  -4.104
  224   HG23  THR  32          2HG2      THR  32  10.524  -6.760  -3.908
  225    H    CYS  33           H        CYS  33   8.067  -4.738  -3.016
  226    HA   CYS  33           HA       CYS  33  10.227  -2.791  -2.857
  227    HB2  CYS  33           2HB      CYS  33   7.673  -2.687  -1.966
  228    HB3  CYS  33           3HB      CYS  33   8.487  -3.246  -0.508
  229    H    HIS  34           H        HIS  34  11.735  -2.750  -1.116
  230    HA   HIS  34           HA       HIS  34  11.989  -5.009   0.642
  231    HB2  HIS  34           2HB      HIS  34  12.953  -5.670  -1.687
  232    HB3  HIS  34           3HB      HIS  34  14.299  -4.628  -1.237
  233    HD1  HIS  34           HD1      HIS  34  15.184  -5.306   1.384
  234    HD2  HIS  34           HD2      HIS  34  13.454  -8.226  -1.011
  235    HE1  HIS  34           HE1      HIS  34  15.955  -7.501   2.338
  236    H    CYS  35           H        CYS  35  13.183  -4.525   2.418
  237    HA   CYS  35           HA       CYS  35  14.307  -1.820   2.526
  238    HB2  CYS  35           2HB      CYS  35  13.234  -3.716   4.588
  239    HB3  CYS  35           3HB      CYS  35  14.329  -2.425   5.070
  240    H    TYR  36           H        TYR  36  16.383  -1.408   3.257
  241    HA   TYR  36           HA       TYR  36  18.179  -3.741   3.256
  242    HB2  TYR  36           2HB      TYR  36  18.789  -0.858   2.569
  243    HB3  TYR  36           3HB      TYR  36  19.950  -2.182   2.542
  244    HD1  TYR  36           HD1      TYR  36  16.788  -0.993   0.991
  245    HD2  TYR  36           HD2      TYR  36  20.203  -3.504   0.623
  246    HE1  TYR  36           HE1      TYR  36  16.177  -1.471  -1.343
  247    HE2  TYR  36           HE2      TYR  36  19.602  -3.988  -1.713
  248    HH   TYR  36           HH       TYR  36  17.043  -3.864  -3.017
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   4.541   1.304   0.046
    2    HA2  GLY   1           2HA      GLY   1   2.256   0.700   0.226
    3    HA3  GLY   1           3HA      GLY   1   1.931   2.256   0.976
    4    H    PHE   2           H        PHE   2   2.549   4.159  -0.602
    5    HA   PHE   2           HA       PHE   2   1.271   3.532  -3.181
    6    HB2  PHE   2           2HB      PHE   2   1.288   6.166  -1.692
    7    HB3  PHE   2           3HB      PHE   2   0.454   5.838  -3.208
    8    HD1  PHE   2           HD2      PHE   2   0.472   5.239   0.407
    9    HD2  PHE   2           HD1      PHE   2  -1.606   4.611  -3.255
   10    HE1  PHE   2           HE2      PHE   2  -1.519   4.526   1.663
   11    HE2  PHE   2           HE1      PHE   2  -3.601   3.898  -2.004
   12    HZ   PHE   2           HZ       PHE   2  -3.559   3.853   0.458
   13    H    GLY   3           H        GLY   3   4.060   3.213  -2.769
   14    HA2  GLY   3           2HA      GLY   3   5.024   4.910  -4.898
   15    HA3  GLY   3           3HA      GLY   3   5.785   5.219  -3.344
   16    H    CYS   4           H        CYS   4   6.765   4.074  -5.963
   17    HA   CYS   4           HA       CYS   4   8.646   2.288  -4.942
   18    HB2  CYS   4           2HB      CYS   4   6.112   1.063  -5.485
   19    HB3  CYS   4           3HB      CYS   4   7.302   0.446  -6.627
   20    HA   PRO   5           HA       PRO   5   8.833   2.123  -9.761
   21    HB2  PRO   5           2HB      PRO   5   6.763   3.215 -11.137
   22    HB3  PRO   5           3HB      PRO   5   6.795   1.521 -10.633
   23    HG2  PRO   5           2HG      PRO   5   5.414   3.851  -9.358
   24    HG3  PRO   5           3HG      PRO   5   4.812   2.205  -9.629
   25    HD2  PRO   5           2HD      PRO   5   5.744   3.038  -7.227
   26    HD3  PRO   5           3HD      PRO   5   5.917   1.363  -7.790
   27    H    TRP   6           H        TRP   6   6.978   4.960  -8.664
   28    HA   TRP   6           HA       TRP   6   9.092   6.666  -9.808
   29    HB2  TRP   6           2HB      TRP   6   6.960   8.343  -9.738
   30    HB3  TRP   6           3HB      TRP   6   7.425   7.402 -11.153
   31    HD1  TRP   6           HD1      TRP   6   5.798   5.498 -11.938
   32    HE1  TRP   6           HE1      TRP   6   3.437   4.774 -11.213
   33    HE3  TRP   6           HE3      TRP   6   5.429   8.167  -7.593
   34    HZ2  TRP   6           HZ2      TRP   6   1.654   5.268  -9.081
   35    HZ3  TRP   6           HZ3      TRP   6   3.362   7.985  -6.270
   36    HH2  TRP   6           HH2      TRP   6   1.515   6.566  -7.001
   37    H    ASN   7           H        ASN   7   6.776   6.174  -7.208
   38    HA   ASN   7           HA       ASN   7   7.839   8.431  -5.708
   39    HB2  ASN   7           2HB      ASN   7   5.428   6.756  -5.591
   40    HB3  ASN   7           3HB      ASN   7   6.098   7.156  -4.013
   41   HD21  ASN   7          1HD2      ASN   7   4.103   8.332  -3.728
   42   HD22  ASN   7          2HD2      ASN   7   3.965   9.936  -4.356
   43    H    ALA   8           H        ALA   8   9.996   7.457  -5.576
   44    HA   ALA   8           HA       ALA   8  10.403   5.060  -4.074
   45    HB1  ALA   8           1HB      ALA   8  12.409   7.228  -4.673
   46    HB2  ALA   8           2HB      ALA   8  12.745   5.554  -4.232
   47    HB3  ALA   8           3HB      ALA   8  11.990   5.923  -5.783
   48    H    TYR   9           H        TYR   9  10.122   8.442  -3.303
   49    HA   TYR   9           HA       TYR   9  11.378   8.484  -0.804
   50    HB2  TYR   9           2HB      TYR   9   9.986  10.303  -2.372
   51    HB3  TYR   9           3HB      TYR   9   8.999  10.165  -0.921
   52    HD1  TYR   9           HD1      TYR   9  12.600  10.543  -1.862
   53    HD2  TYR   9           HD2      TYR   9   9.473  11.593   0.825
   54    HE1  TYR   9           HE1      TYR   9  14.131  12.065  -0.684
   55    HE2  TYR   9           HE2      TYR   9  10.995  13.118   2.010
   56    HH   TYR   9           HH       TYR   9  13.446  14.414   1.014
   57    H    GLU  10           H        GLU  10   8.174   7.437  -1.770
   58    HA   GLU  10           HA       GLU  10   7.055   7.262   0.825
   59    HB2  GLU  10           2HB      GLU  10   6.081   7.000  -1.712
   60    HB3  GLU  10           3HB      GLU  10   6.084   5.327  -1.170
   61    HG2  GLU  10           2HG      GLU  10   4.615   7.662   0.002
   62    HG3  GLU  10           3HG      GLU  10   3.956   6.164  -0.654
   63    H    CYS  11           H        CYS  11   8.206   4.660  -1.332
   64    HA   CYS  11           HA       CYS  11   8.108   2.634   0.611
   65    HB2  CYS  11           2HB      CYS  11   8.420   2.569  -2.020
   66    HB3  CYS  11           3HB      CYS  11  10.125   2.501  -1.587
   67    H    ASP  12           H        ASP  12  10.523   5.028  -0.140
   68    HA   ASP  12           HA       ASP  12  12.656   3.775   1.294
   69    HB2  ASP  12           2HB      ASP  12  13.278   5.315  -0.411
   70    HB3  ASP  12           3HB      ASP  12  12.239   6.575   0.251
   71    H    ARG  13           H        ARG  13  10.765   6.724   1.987
   72    HA   ARG  13           HA       ARG  13  11.669   7.093   4.594
   73    HB2  ARG  13           2HB      ARG  13   9.960   8.671   4.840
   74    HB3  ARG  13           3HB      ARG  13  10.263   8.655   3.108
   75    HG2  ARG  13           2HG      ARG  13   8.018   8.532   3.019
   76    HG3  ARG  13           3HG      ARG  13   8.331   6.807   3.228
   77    HD2  ARG  13           2HD      ARG  13   6.948   6.945   4.979
   78    HD3  ARG  13           3HD      ARG  13   8.297   7.717   5.810
   79    HE   ARG  13           HE       ARG  13   6.903   9.690   4.413
   80   HH11  ARG  13          1HH1      ARG  13   6.414   7.505   7.079
   81   HH12  ARG  13          2HH1      ARG  13   5.293   8.544   7.895
   82   HH21  ARG  13          1HH2      ARG  13   5.428  11.067   5.478
   83   HH22  ARG  13          2HH2      ARG  13   4.732  10.569   6.983
   84    H    HIS  14           H        HIS  14   9.411   4.818   3.323
   85    HA   HIS  14           HA       HIS  14   7.840   4.260   5.553
   86    HB2  HIS  14           2HB      HIS  14   7.358   3.325   3.352
   87    HB3  HIS  14           3HB      HIS  14   8.834   2.366   3.413
   88    HD1  HIS  14           HD1      HIS  14   5.314   2.422   4.561
   89    HD2  HIS  14           HD2      HIS  14   8.733   0.147   5.190
   90    HE1  HIS  14           HE1      HIS  14   4.523   0.318   5.687
   91    H    CYS  15           H        CYS  15  11.008   2.968   4.628
   92    HA   CYS  15           HA       CYS  15  11.156   1.416   7.086
   93    HB2  CYS  15           2HB      CYS  15  13.151   1.705   4.829
   94    HB3  CYS  15           3HB      CYS  15  13.279   0.574   6.173
   95    H    VAL  16           H        VAL  16  12.525   4.298   5.640
   96    HA   VAL  16           HA       VAL  16  14.702   4.778   7.261
   97    HB   VAL  16           HB       VAL  16  12.740   6.837   6.240
   98   HG11  VAL  16          1HG1      VAL  16  14.662   8.381   6.374
   99   HG12  VAL  16          2HG1      VAL  16  14.166   7.772   7.955
  100   HG13  VAL  16          3HG1      VAL  16  15.598   7.112   7.164
  101   HG21  VAL  16          3HG2      VAL  16  15.134   6.750   4.728
  102   HG22  VAL  16          1HG2      VAL  16  14.522   5.101   4.861
  103   HG23  VAL  16          2HG2      VAL  16  13.493   6.373   4.203
  104    H    SER  17           H        SER  17  11.309   5.060   8.009
  105    HA   SER  17           HA       SER  17  11.689   6.570  10.421
  106    HB2  SER  17           2HB      SER  17   9.575   6.820   9.347
  107    HB3  SER  17           3HB      SER  17   9.329   5.075   9.273
  108    HG   SER  17           HG       SER  17   9.234   6.775  11.528
  109    H    LYS  18           H        LYS  18  11.356   3.178   9.573
  110    HA   LYS  18           HA       LYS  18  11.078   2.220  12.238
  111    HB2  LYS  18           2HB      LYS  18  11.678   0.977   9.583
  112    HB3  LYS  18           3HB      LYS  18  11.937   0.035  11.046
  113    HG2  LYS  18           2HG      LYS  18   9.801  -0.566  10.740
  114    HG3  LYS  18           3HG      LYS  18   9.451   0.984  11.507
  115    HD2  LYS  18           2HD      LYS  18   8.567   1.813   9.632
  116    HD3  LYS  18           3HD      LYS  18   9.929   1.256   8.656
  117    HE2  LYS  18           2HE      LYS  18   8.266  -0.008   7.740
  118    HE3  LYS  18           3HE      LYS  18   8.773  -1.091   9.034
  119    HZ1  LYS  18           3HZ      LYS  18   6.618  -1.078   9.571
  120    HZ2  LYS  18           1HZ      LYS  18   6.288   0.331   8.694
  121    HZ3  LYS  18           2HZ      LYS  18   6.928   0.437  10.256
  122    H    GLY  19           H        GLY  19  13.818   2.786  10.097
  123    HA2  GLY  19           2HA      GLY  19  15.778   3.451  11.706
  124    HA3  GLY  19           3HA      GLY  19  15.660   1.749  12.127
  125    H    TYR  20           H        TYR  20  15.103   0.718   9.562
  126    HA   TYR  20           HA       TYR  20  17.630   0.245   8.563
  127    HB2  TYR  20           2HB      TYR  20  15.099   0.205   6.913
  128    HB3  TYR  20           3HB      TYR  20  16.566  -0.726   6.631
  129    HD1  TYR  20           HD1      TYR  20  17.202  -2.515   8.299
  130    HD2  TYR  20           HD2      TYR  20  13.397  -0.611   8.324
  131    HE1  TYR  20           HE1      TYR  20  16.293  -4.362   9.645
  132    HE2  TYR  20           HE2      TYR  20  12.478  -2.452   9.672
  133    HH   TYR  20           HH       TYR  20  13.744  -4.272  11.409
  134    H    THR  21           H        THR  21  18.573   0.845   6.480
  135    HA   THR  21           HA       THR  21  18.985   3.571   6.208
  136    HB   THR  21           HB       THR  21  20.468   1.791   5.273
  137    HG1  THR  21           HG1      THR  21  20.774   3.924   4.583
  138   HG21  THR  21          3HG2      THR  21  18.775   0.399   4.209
  139   HG22  THR  21          1HG2      THR  21  19.966   0.928   3.022
  140   HG23  THR  21          2HG2      THR  21  18.382   1.703   3.089
  141    H    GLY  22           H        GLY  22  16.536   1.531   4.771
  142    HA2  GLY  22           2HA      GLY  22  14.544   3.181   4.304
  143    HA3  GLY  22           3HA      GLY  22  15.636   3.705   3.030
  144    H    GLY  23           H        GLY  23  12.987   2.541   2.765
  145    HA2  GLY  23           2HA      GLY  23  13.485  -0.135   1.713
  146    HA3  GLY  23           3HA      GLY  23  11.920   0.650   1.862
  147    H    ASN  24           H        ASN  24  14.179  -0.395  -0.295
  148    HA   ASN  24           HA       ASN  24  13.280   1.525  -2.343
  149    HB2  ASN  24           2HB      ASN  24  15.784  -0.086  -2.676
  150    HB3  ASN  24           3HB      ASN  24  15.360   1.473  -3.377
  151   HD21  ASN  24          1HD2      ASN  24  14.624   2.909  -1.187
  152   HD22  ASN  24          2HD2      ASN  24  15.979   3.113  -0.135
  153    H    CYS  25           H        CYS  25  12.471   0.745  -4.239
  154    HA   CYS  25           HA       CYS  25  11.915  -2.131  -4.306
  155    HB2  CYS  25           2HB      CYS  25  10.695   0.009  -6.052
  156    HB3  CYS  25           3HB      CYS  25  10.100  -1.626  -5.781
  157    H    ARG  26           H        ARG  26  11.987  -3.239  -6.403
  158    HA   ARG  26           HA       ARG  26  13.510  -2.124  -8.552
  159    HB2  ARG  26           2HB      ARG  26  15.371  -3.813  -8.371
  160    HB3  ARG  26           3HB      ARG  26  15.401  -2.536  -7.163
  161    HG2  ARG  26           2HG      ARG  26  14.958  -3.952  -5.447
  162    HG3  ARG  26           3HG      ARG  26  13.997  -5.042  -6.450
  163    HD2  ARG  26           2HD      ARG  26  17.003  -4.785  -6.474
  164    HD3  ARG  26           3HD      ARG  26  16.080  -6.098  -5.745
  165    HE   ARG  26           HE       ARG  26  15.347  -5.920  -8.431
  166   HH11  ARG  26          1HH1      ARG  26  18.142  -6.709  -6.511
  167   HH12  ARG  26          2HH1      ARG  26  18.803  -7.798  -7.685
  168   HH21  ARG  26          1HH2      ARG  26  16.208  -7.351  -9.985
  169   HH22  ARG  26          2HH2      ARG  26  17.703  -8.162  -9.661
  170    H    GLY  27           H        GLY  27  14.338  -4.264  -9.918
  171    HA2  GLY  27           2HA      GLY  27  11.826  -5.636 -10.487
  172    HA3  GLY  27           3HA      GLY  27  13.252  -5.605 -11.515
  173    H    LYS  28           H        LYS  28  13.437  -6.369  -8.114
  174    HA   LYS  28           HA       LYS  28  14.920  -8.677  -8.412
  175    HB2  LYS  28           2HB      LYS  28  14.195  -9.239  -6.093
  176    HB3  LYS  28           3HB      LYS  28  14.770  -7.587  -6.273
  177    HG2  LYS  28           2HG      LYS  28  12.116  -7.256  -6.702
  178    HG3  LYS  28           3HG      LYS  28  12.113  -8.595  -5.552
  179    HD2  LYS  28           2HD      LYS  28  14.009  -6.640  -4.694
  180    HD3  LYS  28           3HD      LYS  28  12.473  -5.837  -5.032
  181    HE2  LYS  28           2HE      LYS  28  12.021  -6.460  -2.906
  182    HE3  LYS  28           3HE      LYS  28  11.570  -7.974  -3.689
  183    HZ1  LYS  28           3HZ      LYS  28  13.194  -9.031  -2.638
  184    HZ2  LYS  28           1HZ      LYS  28  13.455  -7.636  -1.717
  185    HZ3  LYS  28           2HZ      LYS  28  14.355  -7.900  -3.124
  186    H    ILE  29           H        ILE  29  11.403  -8.346  -8.138
  187    HA   ILE  29           HA       ILE  29  11.057 -10.865  -9.526
  188    HB   ILE  29           HB       ILE  29   9.390 -11.652  -7.772
  189   HG12  ILE  29          2HG1      ILE  29  10.868 -10.411  -5.599
  190   HG13  ILE  29          3HG1      ILE  29  10.046  -9.212  -6.591
  191   HG21  ILE  29          1HG2      ILE  29  12.242 -11.645  -6.822
  192   HG22  ILE  29          2HG2      ILE  29  11.026 -12.905  -6.621
  193   HG23  ILE  29          3HG2      ILE  29  11.703 -12.579  -8.217
  194   HD11  ILE  29          3HD1      ILE  29   8.807 -11.552  -5.167
  195   HD12  ILE  29          1HD1      ILE  29   8.611  -9.841  -4.792
  196   HD13  ILE  29          2HD1      ILE  29   7.945 -10.498  -6.288
  197    H    ARG  30           H        ARG  30  10.333  -9.009 -10.941
  198    HA   ARG  30           HA       ARG  30   8.642  -7.964 -12.046
  199    HB2  ARG  30           2HB      ARG  30   6.726  -9.407 -10.218
  200    HB3  ARG  30           3HB      ARG  30   6.422  -8.805 -11.842
  201    HG2  ARG  30           2HG      ARG  30   8.029 -10.465 -12.718
  202    HG3  ARG  30           3HG      ARG  30   8.208 -11.105 -11.083
  203    HD2  ARG  30           2HD      ARG  30   5.426 -10.880 -11.842
  204    HD3  ARG  30           3HD      ARG  30   6.330 -11.872 -12.986
  205    HE   ARG  30           HE       ARG  30   5.593 -12.576 -10.331
  206   HH11  ARG  30          1HH1      ARG  30   8.095 -12.971 -12.720
  207   HH12  ARG  30          2HH1      ARG  30   8.636 -14.492 -12.091
  208   HH21  ARG  30          1HH2      ARG  30   6.296 -14.578  -9.494
  209   HH22  ARG  30          2HH2      ARG  30   7.612 -15.405 -10.257
  210    H    GLN  31           H        GLN  31   9.793  -6.341 -10.350
  211    HA   GLN  31           HA       GLN  31   9.540  -4.393  -9.203
  212    HB2  GLN  31           2HB      GLN  31   6.577  -4.651  -9.704
  213    HB3  GLN  31           3HB      GLN  31   7.494  -3.180  -9.408
  214    HG2  GLN  31           2HG      GLN  31   8.760  -3.964 -11.593
  215    HG3  GLN  31           3HG      GLN  31   7.229  -4.790 -11.882
  216   HE21  GLN  31          1HE2      GLN  31   8.679  -2.357 -13.036
  217   HE22  GLN  31          2HE2      GLN  31   7.448  -1.147 -13.100
  218    H    THR  32           H        THR  32  10.022  -4.684  -7.122
  219    HA   THR  32           HA       THR  32   7.880  -5.169  -5.240
  220    HB   THR  32           HB       THR  32  10.265  -7.028  -5.280
  221    HG1  THR  32           HG1      THR  32   8.783  -7.628  -6.873
  222   HG21  THR  32          3HG2      THR  32   9.732  -6.900  -3.044
  223   HG22  THR  32          1HG2      THR  32   8.653  -8.195  -3.561
  224   HG23  THR  32          2HG2      THR  32   8.031  -6.558  -3.357
  225    H    CYS  33           H        CYS  33   8.362  -4.490  -3.135
  226    HA   CYS  33           HA       CYS  33  10.537  -2.587  -2.980
  227    HB2  CYS  33           2HB      CYS  33   7.976  -2.735  -1.884
  228    HB3  CYS  33           3HB      CYS  33   9.053  -2.976  -0.512
  229    H    HIS  34           H        HIS  34  12.145  -2.571  -1.358
  230    HA   HIS  34           HA       HIS  34  12.495  -4.916   0.307
  231    HB2  HIS  34           2HB      HIS  34  13.492  -5.648  -1.806
  232    HB3  HIS  34           3HB      HIS  34  14.509  -4.210  -1.839
  233    HD1  HIS  34           HD1      HIS  34  14.085  -5.967   1.409
  234    HD2  HIS  34           HD2      HIS  34  16.802  -5.860  -1.733
  235    HE1  HIS  34           HE1      HIS  34  16.142  -7.139   2.258
  236    H    CYS  35           H        CYS  35  13.343  -4.334   2.198
  237    HA   CYS  35           HA       CYS  35  14.540  -1.667   2.416
  238    HB2  CYS  35           2HB      CYS  35  13.276  -3.516   4.436
  239    HB3  CYS  35           3HB      CYS  35  14.188  -2.087   4.911
  240    H    TYR  36           H        TYR  36  16.601  -1.347   3.043
  241    HA   TYR  36           HA       TYR  36  18.219  -3.746   3.586
  242    HB2  TYR  36           2HB      TYR  36  19.214  -1.090   2.545
  243    HB3  TYR  36           3HB      TYR  36  20.101  -2.609   2.620
  244    HD1  TYR  36           HD1      TYR  36  17.362  -0.820   0.906
  245    HD2  TYR  36           HD2      TYR  36  19.887  -4.244   0.901
  246    HE1  TYR  36           HE1      TYR  36  16.624  -1.354  -1.379
  247    HE2  TYR  36           HE2      TYR  36  19.158  -4.786  -1.384
  248    HH   TYR  36           HH       TYR  36  16.479  -3.480  -2.817
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   1.562   2.577  -7.029
    2    HA2  GLY   1           2HA      GLY   1  -1.081   2.433  -5.712
    3    HA3  GLY   1           3HA      GLY   1   0.073   1.109  -5.656
    4    H    PHE   2           H        PHE   2   1.675   1.121  -4.152
    5    HA   PHE   2           HA       PHE   2   1.508   3.223  -2.129
    6    HB2  PHE   2           2HB      PHE   2   2.755   0.472  -2.104
    7    HB3  PHE   2           3HB      PHE   2   2.912   1.617  -0.775
    8    HD1  PHE   2           HD2      PHE   2   0.228   2.776  -0.647
    9    HD2  PHE   2           HD1      PHE   2   1.450  -1.251  -1.283
   10    HE1  PHE   2           HE2      PHE   2  -1.906   1.985   0.286
   11    HE2  PHE   2           HE1      PHE   2  -0.683  -2.049  -0.352
   12    HZ   PHE   2           HZ       PHE   2  -2.364  -0.431   0.435
   13    H    GLY   3           H        GLY   3   2.891   3.544  -4.743
   14    HA2  GLY   3           2HA      GLY   3   4.759   4.678  -5.464
   15    HA3  GLY   3           3HA      GLY   3   5.197   4.900  -3.777
   16    H    CYS   4           H        CYS   4   6.753   4.135  -6.244
   17    HA   CYS   4           HA       CYS   4   8.608   2.436  -5.045
   18    HB2  CYS   4           2HB      CYS   4   6.371   1.051  -6.228
   19    HB3  CYS   4           3HB      CYS   4   7.857   0.642  -7.078
   20    HA   PRO   5           HA       PRO   5   9.678   2.805  -9.735
   21    HB2  PRO   5           2HB      PRO   5   7.779   3.835 -11.380
   22    HB3  PRO   5           3HB      PRO   5   7.911   2.108 -11.028
   23    HG2  PRO   5           2HG      PRO   5   6.068   4.147  -9.842
   24    HG3  PRO   5           3HG      PRO   5   5.715   2.490 -10.365
   25    HD2  PRO   5           2HD      PRO   5   6.100   3.146  -7.766
   26    HD3  PRO   5           3HD      PRO   5   6.559   1.565  -8.430
   27    H    TRP   6           H        TRP   6   7.328   5.324  -8.815
   28    HA   TRP   6           HA       TRP   6   9.412   7.334  -9.367
   29    HB2  TRP   6           2HB      TRP   6   7.134   8.786  -9.569
   30    HB3  TRP   6           3HB      TRP   6   7.940   8.033 -10.942
   31    HD1  TRP   6           HD1      TRP   6   6.681   6.096 -12.178
   32    HE1  TRP   6           HE1      TRP   6   4.325   5.083 -11.958
   33    HE3  TRP   6           HE3      TRP   6   5.290   8.232  -7.747
   34    HZ2  TRP   6           HZ2      TRP   6   2.163   5.178 -10.146
   35    HZ3  TRP   6           HZ3      TRP   6   3.061   7.720  -6.839
   36    HH2  TRP   6           HH2      TRP   6   1.531   6.224  -8.015
   37    H    ASN   7           H        ASN   7   6.790   6.299  -7.282
   38    HA   ASN   7           HA       ASN   7   7.262   8.502  -5.433
   39    HB2  ASN   7           2HB      ASN   7   5.099   6.592  -5.927
   40    HB3  ASN   7           3HB      ASN   7   5.442   6.823  -4.215
   41   HD21  ASN   7          1HD2      ASN   7   3.308   7.749  -4.137
   42   HD22  ASN   7          2HD2      ASN   7   3.077   9.402  -4.581
   43    H    ALA   8           H        ALA   8   9.284   6.399  -5.929
   44    HA   ALA   8           HA       ALA   8   9.492   4.481  -3.969
   45    HB1  ALA   8           1HB      ALA   8  11.823   6.133  -4.919
   46    HB2  ALA   8           2HB      ALA   8  11.834   4.459  -4.362
   47    HB3  ALA   8           3HB      ALA   8  11.063   4.873  -5.893
   48    H    TYR   9           H        TYR   9   9.974   7.934  -3.701
   49    HA   TYR   9           HA       TYR   9  11.400   8.125  -1.342
   50    HB2  TYR   9           2HB      TYR   9   9.975   9.882  -2.999
   51    HB3  TYR   9           3HB      TYR   9   9.277  10.090  -1.397
   52    HD1  TYR   9           HD2      TYR   9  12.731   9.589  -2.754
   53    HD2  TYR   9           HD1      TYR   9  10.159  11.879  -0.255
   54    HE1  TYR   9           HE2      TYR   9  14.630  11.017  -2.117
   55    HE2  TYR   9           HE1      TYR   9  12.051  13.314   0.387
   56    HH   TYR   9           HH       TYR   9  14.949  13.380  -1.261
   57    H    GLU  10           H        GLU  10   8.074   7.226  -1.846
   58    HA   GLU  10           HA       GLU  10   7.251   7.559   0.873
   59    HB2  GLU  10           2HB      GLU  10   5.556   7.638  -0.808
   60    HB3  GLU  10           3HB      GLU  10   6.049   6.085  -1.468
   61    HG2  GLU  10           2HG      GLU  10   3.948   6.056  -0.116
   62    HG3  GLU  10           3HG      GLU  10   5.188   4.913   0.397
   63    H    CYS  11           H        CYS  11   8.227   4.785  -1.112
   64    HA   CYS  11           HA       CYS  11   7.910   2.869   0.966
   65    HB2  CYS  11           2HB      CYS  11   8.133   2.616  -1.673
   66    HB3  CYS  11           3HB      CYS  11   9.830   2.389  -1.264
   67    H    ASP  12           H        ASP  12  10.499   4.973  -0.037
   68    HA   ASP  12           HA       ASP  12  12.585   3.643   1.374
   69    HB2  ASP  12           2HB      ASP  12  13.253   5.077  -0.394
   70    HB3  ASP  12           3HB      ASP  12  12.308   6.422   0.239
   71    H    ARG  13           H        ARG  13  10.866   6.696   2.056
   72    HA   ARG  13           HA       ARG  13  11.928   7.126   4.593
   73    HB2  ARG  13           2HB      ARG  13  10.253   8.751   4.894
   74    HB3  ARG  13           3HB      ARG  13  10.526   8.707   3.157
   75    HG2  ARG  13           2HG      ARG  13   8.271   8.665   3.127
   76    HG3  ARG  13           3HG      ARG  13   8.543   6.931   3.307
   77    HD2  ARG  13           2HD      ARG  13   7.218   7.068   5.100
   78    HD3  ARG  13           3HD      ARG  13   8.590   7.831   5.902
   79    HE   ARG  13           HE       ARG  13   7.093   9.766   4.492
   80   HH11  ARG  13          1HH1      ARG  13   6.966   7.760   7.335
   81   HH12  ARG  13          2HH1      ARG  13   5.945   8.848   8.216
   82   HH21  ARG  13          1HH2      ARG  13   5.750  11.206   5.642
   83   HH22  ARG  13          2HH2      ARG  13   5.253  10.808   7.252
   84    H    HIS  14           H        HIS  14   9.519   4.896   3.534
   85    HA   HIS  14           HA       HIS  14   8.062   4.473   5.868
   86    HB2  HIS  14           2HB      HIS  14   7.453   3.487   3.704
   87    HB3  HIS  14           3HB      HIS  14   8.867   2.440   3.777
   88    HD1  HIS  14           HD1      HIS  14   5.356   2.574   4.677
   89    HD2  HIS  14           HD2      HIS  14   8.721   0.537   6.015
   90    HE1  HIS  14           HE1      HIS  14   4.480   0.639   6.024
   91    H    CYS  15           H        CYS  15  11.125   3.038   4.816
   92    HA   CYS  15           HA       CYS  15  11.359   1.563   7.316
   93    HB2  CYS  15           2HB      CYS  15  13.190   1.700   4.910
   94    HB3  CYS  15           3HB      CYS  15  13.434   0.655   6.307
   95    H    VAL  16           H        VAL  16  12.714   4.361   5.711
   96    HA   VAL  16           HA       VAL  16  15.007   4.817   7.174
   97    HB   VAL  16           HB       VAL  16  13.036   6.900   6.220
   98   HG11  VAL  16          1HG1      VAL  16  14.619   7.788   7.858
   99   HG12  VAL  16          2HG1      VAL  16  15.963   7.160   6.902
  100   HG13  VAL  16          3HG1      VAL  16  14.933   8.433   6.247
  101   HG21  VAL  16          3HG2      VAL  16  13.806   6.623   4.137
  102   HG22  VAL  16          1HG2      VAL  16  15.477   6.482   4.681
  103   HG23  VAL  16          2HG2      VAL  16  14.419   5.071   4.707
  104    H    SER  17           H        SER  17  11.676   5.227   8.127
  105    HA   SER  17           HA       SER  17  12.236   6.793  10.459
  106    HB2  SER  17           2HB      SER  17  10.056   7.131   9.788
  107    HB3  SER  17           3HB      SER  17   9.830   5.449   9.309
  108    HG   SER  17           HG       SER  17   9.455   6.660  11.761
  109    H    LYS  18           H        LYS  18  11.829   3.377   9.756
  110    HA   LYS  18           HA       LYS  18  11.694   2.488  12.445
  111    HB2  LYS  18           2HB      LYS  18  12.200   1.199   9.800
  112    HB3  LYS  18           3HB      LYS  18  12.589   0.297  11.259
  113    HG2  LYS  18           2HG      LYS  18  10.457  -0.397  11.015
  114    HG3  LYS  18           3HG      LYS  18  10.126   1.090  11.907
  115    HD2  LYS  18           2HD      LYS  18   8.914   1.844  10.204
  116    HD3  LYS  18           3HD      LYS  18  10.325   1.742   9.149
  117    HE2  LYS  18           2HE      LYS  18   9.068   0.268   8.008
  118    HE3  LYS  18           3HE      LYS  18   9.581  -0.860   9.261
  119    HZ1  LYS  18           3HZ      LYS  18   7.151  -0.836   8.840
  120    HZ2  LYS  18           1HZ      LYS  18   7.097   0.755   9.413
  121    HZ3  LYS  18           2HZ      LYS  18   7.564  -0.500  10.446
  122    H    GLY  19           H        GLY  19  14.357   3.003  10.187
  123    HA2  GLY  19           2HA      GLY  19  16.393   3.800  11.533
  124    HA3  GLY  19           3HA      GLY  19  16.254   2.227  12.303
  125    H    TYR  20           H        TYR  20  15.332   1.217   9.543
  126    HA   TYR  20           HA       TYR  20  17.841   0.187   8.746
  127    HB2  TYR  20           2HB      TYR  20  15.158   0.202   7.356
  128    HB3  TYR  20           3HB      TYR  20  16.564  -0.671   6.757
  129    HD1  TYR  20           HD1      TYR  20  17.703  -2.228   8.626
  130    HD2  TYR  20           HD2      TYR  20  13.630  -0.997   8.593
  131    HE1  TYR  20           HE1      TYR  20  17.115  -4.154  10.040
  132    HE2  TYR  20           HE2      TYR  20  13.031  -2.918  10.007
  133    HH   TYR  20           HH       TYR  20  15.103  -5.525  10.539
  134    H    THR  21           H        THR  21  18.147   0.276   6.123
  135    HA   THR  21           HA       THR  21  19.184   2.891   5.656
  136    HB   THR  21           HB       THR  21  18.946   0.515   3.801
  137    HG1  THR  21           HG1      THR  21  21.209   1.570   5.178
  138   HG21  THR  21          3HG2      THR  21  20.309   3.179   3.461
  139   HG22  THR  21          1HG2      THR  21  19.128   2.416   2.398
  140   HG23  THR  21          2HG2      THR  21  20.758   1.754   2.525
  141    H    GLY  22           H        GLY  22  16.375   1.096   4.506
  142    HA2  GLY  22           2HA      GLY  22  14.548   2.950   4.125
  143    HA3  GLY  22           3HA      GLY  22  15.606   3.326   2.773
  144    H    GLY  23           H        GLY  23  12.789   2.321   2.914
  145    HA2  GLY  23           2HA      GLY  23  12.908  -0.371   1.874
  146    HA3  GLY  23           3HA      GLY  23  11.472   0.631   2.021
  147    H    ASN  24           H        ASN  24  13.977  -0.475  -0.050
  148    HA   ASN  24           HA       ASN  24  13.027   1.274  -2.216
  149    HB2  ASN  24           2HB      ASN  24  15.481  -0.439  -2.428
  150    HB3  ASN  24           3HB      ASN  24  15.108   1.074  -3.249
  151   HD21  ASN  24          1HD2      ASN  24  14.370   2.661  -1.140
  152   HD22  ASN  24          2HD2      ASN  24  15.731   2.916  -0.106
  153    H    CYS  25           H        CYS  25  12.334   0.419  -4.159
  154    HA   CYS  25           HA       CYS  25  11.520  -2.388  -4.044
  155    HB2  CYS  25           2HB      CYS  25  10.694  -0.321  -6.086
  156    HB3  CYS  25           3HB      CYS  25   9.910  -1.858  -5.734
  157    H    ARG  26           H        ARG  26  11.921  -3.846  -5.731
  158    HA   ARG  26           HA       ARG  26  13.689  -3.050  -7.893
  159    HB2  ARG  26           2HB      ARG  26  14.511  -4.868  -5.652
  160    HB3  ARG  26           3HB      ARG  26  15.178  -5.093  -7.263
  161    HG2  ARG  26           2HG      ARG  26  15.343  -2.552  -5.655
  162    HG3  ARG  26           3HG      ARG  26  16.633  -3.745  -5.823
  163    HD2  ARG  26           2HD      ARG  26  16.219  -3.343  -8.389
  164    HD3  ARG  26           3HD      ARG  26  15.549  -1.815  -7.819
  165    HE   ARG  26           HE       ARG  26  17.990  -2.058  -6.579
  166   HH11  ARG  26          1HH1      ARG  26  16.831  -1.961  -9.860
  167   HH12  ARG  26          2HH1      ARG  26  18.276  -1.241 -10.487
  168   HH21  ARG  26          1HH2      ARG  26  19.898  -1.110  -7.392
  169   HH22  ARG  26          2HH2      ARG  26  20.021  -0.758  -9.083
  170    H    GLY  27           H        GLY  27  14.307  -5.209  -9.152
  171    HA2  GLY  27           2HA      GLY  27  11.737  -6.472  -9.726
  172    HA3  GLY  27           3HA      GLY  27  13.171  -6.524 -10.740
  173    H    LYS  28           H        LYS  28  12.925  -7.310  -7.301
  174    HA   LYS  28           HA       LYS  28  14.377  -9.728  -7.623
  175    HB2  LYS  28           2HB      LYS  28  13.713 -10.116  -5.220
  176    HB3  LYS  28           3HB      LYS  28  14.557  -8.605  -5.532
  177    HG2  LYS  28           2HG      LYS  28  11.644  -8.402  -5.700
  178    HG3  LYS  28           3HG      LYS  28  12.253  -8.852  -4.106
  179    HD2  LYS  28           2HD      LYS  28  13.516  -6.586  -5.592
  180    HD3  LYS  28           3HD      LYS  28  11.988  -6.334  -4.744
  181    HE2  LYS  28           2HE      LYS  28  13.520  -5.774  -3.117
  182    HE3  LYS  28           3HE      LYS  28  13.225  -7.473  -2.754
  183    HZ1  LYS  28           3HZ      LYS  28  15.634  -6.625  -2.866
  184    HZ2  LYS  28           1HZ      LYS  28  15.433  -6.698  -4.544
  185    HZ3  LYS  28           2HZ      LYS  28  15.260  -8.098  -3.610
  186    H    ILE  29           H        ILE  29  10.966  -8.942  -7.432
  187    HA   ILE  29           HA       ILE  29  10.291 -11.563  -8.449
  188    HB   ILE  29           HB       ILE  29   8.485 -11.814  -6.639
  189   HG12  ILE  29          2HG1      ILE  29  10.325 -10.499  -4.738
  190   HG13  ILE  29          3HG1      ILE  29   9.408  -9.410  -5.773
  191   HG21  ILE  29          1HG2      ILE  29  10.829 -13.013  -6.983
  192   HG22  ILE  29          2HG2      ILE  29  11.153 -12.258  -5.423
  193   HG23  ILE  29          3HG2      ILE  29   9.790 -13.363  -5.601
  194   HD11  ILE  29          3HD1      ILE  29   8.400  -9.981  -3.528
  195   HD12  ILE  29          1HD1      ILE  29   7.356 -10.179  -4.936
  196   HD13  ILE  29          2HD1      ILE  29   8.101 -11.591  -4.184
  197    H    ARG  30           H        ARG  30   9.882  -9.756 -10.090
  198    HA   ARG  30           HA       ARG  30   8.373  -8.636 -11.371
  199    HB2  ARG  30           2HB      ARG  30   6.981 -10.693 -10.649
  200    HB3  ARG  30           3HB      ARG  30   6.174  -9.579  -9.553
  201    HG2  ARG  30           2HG      ARG  30   4.868  -9.761 -11.538
  202    HG3  ARG  30           3HG      ARG  30   5.608  -8.159 -11.513
  203    HD2  ARG  30           2HD      ARG  30   6.575  -8.542 -13.474
  204    HD3  ARG  30           3HD      ARG  30   7.369  -9.978 -12.829
  205    HE   ARG  30           HE       ARG  30   4.847 -10.824 -13.363
  206   HH11  ARG  30          1HH1      ARG  30   7.302  -9.208 -15.228
  207   HH12  ARG  30          2HH1      ARG  30   6.799  -9.901 -16.734
  208   HH21  ARG  30          1HH2      ARG  30   4.174 -11.743 -15.340
  209   HH22  ARG  30          2HH2      ARG  30   5.019 -11.342 -16.797
  210    H    GLN  31           H        GLN  31   9.650  -7.041  -9.682
  211    HA   GLN  31           HA       GLN  31   9.586  -4.982  -8.717
  212    HB2  GLN  31           2HB      GLN  31   7.853  -4.718 -10.640
  213    HB3  GLN  31           3HB      GLN  31   6.661  -4.771  -9.348
  214    HG2  GLN  31           2HG      GLN  31   8.127  -2.910  -8.282
  215    HG3  GLN  31           3HG      GLN  31   8.737  -2.710  -9.924
  216   HE21  GLN  31          1HE2      GLN  31   7.791  -0.559  -9.663
  217   HE22  GLN  31          2HE2      GLN  31   6.117  -0.340 -10.025
  218    H    THR  32           H        THR  32   9.850  -5.163  -6.584
  219    HA   THR  32           HA       THR  32   7.500  -5.205  -4.887
  220    HB   THR  32           HB       THR  32   9.644  -7.314  -4.562
  221    HG1  THR  32           HG1      THR  32   6.879  -7.631  -5.176
  222   HG21  THR  32          3HG2      THR  32   7.842  -8.128  -2.858
  223   HG22  THR  32          1HG2      THR  32   7.338  -6.439  -2.870
  224   HG23  THR  32          2HG2      THR  32   8.981  -6.866  -2.391
  225    H    CYS  33           H        CYS  33   7.859  -4.355  -2.830
  226    HA   CYS  33           HA       CYS  33  10.172  -2.654  -2.621
  227    HB2  CYS  33           2HB      CYS  33   7.544  -2.609  -1.631
  228    HB3  CYS  33           3HB      CYS  33   8.577  -2.756  -0.213
  229    H    HIS  34           H        HIS  34  11.706  -2.659  -0.940
  230    HA   HIS  34           HA       HIS  34  11.794  -4.893   0.901
  231    HB2  HIS  34           2HB      HIS  34  12.810  -5.731  -1.249
  232    HB3  HIS  34           3HB      HIS  34  14.069  -4.515  -1.052
  233    HD1  HIS  34           HD1      HIS  34  15.552  -4.784   1.191
  234    HD2  HIS  34           HD2      HIS  34  13.273  -8.071   0.068
  235    HE1  HIS  34           HE1      HIS  34  16.525  -6.736   2.443
  236    H    CYS  35           H        CYS  35  12.731  -4.316   2.766
  237    HA   CYS  35           HA       CYS  35  14.018  -1.688   2.881
  238    HB2  CYS  35           2HB      CYS  35  12.782  -3.455   4.992
  239    HB3  CYS  35           3HB      CYS  35  13.709  -2.012   5.387
  240    H    TYR  36           H        TYR  36  16.133  -1.465   3.202
  241    HA   TYR  36           HA       TYR  36  17.710  -3.866   3.775
  242    HB2  TYR  36           2HB      TYR  36  18.623  -1.164   2.765
  243    HB3  TYR  36           3HB      TYR  36  19.618  -2.609   2.907
  244    HD1  TYR  36           HD1      TYR  36  18.690  -4.712   1.595
  245    HD2  TYR  36           HD2      TYR  36  17.689  -0.673   0.710
  246    HE1  TYR  36           HE1      TYR  36  18.064  -5.374  -0.690
  247    HE2  TYR  36           HE2      TYR  36  17.059  -1.324  -1.577
  248    HH   TYR  36           HH       TYR  36  16.495  -3.160  -2.879
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -1.473  -1.450  -4.415
    2    HA2  GLY   1           2HA      GLY   1   1.461  -1.497  -4.130
    3    HA3  GLY   1           3HA      GLY   1   0.713  -0.663  -5.483
    4    H    PHE   2           H        PHE   2   2.258   0.922  -4.163
    5    HA   PHE   2           HA       PHE   2   0.626   2.968  -3.186
    6    HB2  PHE   2           2HB      PHE   2   1.570   2.929  -0.780
    7    HB3  PHE   2           3HB      PHE   2   0.235   1.848  -1.168
    8    HD1  PHE   2           HD2      PHE   2   3.965   1.786  -1.369
    9    HD2  PHE   2           HD1      PHE   2   0.389  -0.255  -0.290
   10    HE1  PHE   2           HE2      PHE   2   5.297  -0.131  -0.593
   11    HE2  PHE   2           HE1      PHE   2   1.716  -2.175   0.490
   12    HZ   PHE   2           HZ       PHE   2   4.173  -2.115   0.338
   13    H    GLY   3           H        GLY   3   2.851   2.540  -4.958
   14    HA2  GLY   3           2HA      GLY   3   4.377   4.346  -5.499
   15    HA3  GLY   3           3HA      GLY   3   4.728   4.490  -3.783
   16    H    CYS   4           H        CYS   4   6.405   3.963  -6.257
   17    HA   CYS   4           HA       CYS   4   8.361   2.369  -5.080
   18    HB2  CYS   4           2HB      CYS   4   6.256   0.853  -6.340
   19    HB3  CYS   4           3HB      CYS   4   7.780   0.586  -7.180
   20    HA   PRO   5           HA       PRO   5   9.468   2.966  -9.740
   21    HB2  PRO   5           2HB      PRO   5   7.523   3.911 -11.380
   22    HB3  PRO   5           3HB      PRO   5   7.774   2.187 -11.083
   23    HG2  PRO   5           2HG      PRO   5   5.773   4.048  -9.861
   24    HG3  PRO   5           3HG      PRO   5   5.548   2.388 -10.443
   25    HD2  PRO   5           2HD      PRO   5   5.848   2.983  -7.819
   26    HD3  PRO   5           3HD      PRO   5   6.429   1.462  -8.526
   27    H    TRP   6           H        TRP   6   6.925   5.278  -8.789
   28    HA   TRP   6           HA       TRP   6   8.865   7.451  -9.246
   29    HB2  TRP   6           2HB      TRP   6   6.493   8.743  -9.418
   30    HB3  TRP   6           3HB      TRP   6   7.350   8.087 -10.810
   31    HD1  TRP   6           HD1      TRP   6   6.227   6.105 -12.105
   32    HE1  TRP   6           HE1      TRP   6   3.945   4.928 -11.920
   33    HE3  TRP   6           HE3      TRP   6   4.689   8.013  -7.618
   34    HZ2  TRP   6           HZ2      TRP   6   1.780   4.823 -10.112
   35    HZ3  TRP   6           HZ3      TRP   6   2.500   7.324  -6.731
   36    HH2  TRP   6           HH2      TRP   6   1.077   5.763  -7.955
   37    H    ASN   7           H        ASN   7   6.330   6.148  -7.209
   38    HA   ASN   7           HA       ASN   7   6.618   8.320  -5.289
   39    HB2  ASN   7           2HB      ASN   7   4.610   6.281  -5.869
   40    HB3  ASN   7           3HB      ASN   7   4.944   6.431  -4.146
   41   HD21  ASN   7          1HD2      ASN   7   2.806   7.222  -3.902
   42   HD22  ASN   7          2HD2      ASN   7   2.426   8.864  -4.283
   43    H    ALA   8           H        ALA   8   8.801   6.395  -5.849
   44    HA   ALA   8           HA       ALA   8   9.164   4.445  -3.946
   45    HB1  ALA   8           1HB      ALA   8  11.343   6.309  -4.865
   46    HB2  ALA   8           2HB      ALA   8  11.508   4.638  -4.322
   47    HB3  ALA   8           3HB      ALA   8  10.699   4.994  -5.848
   48    H    TYR   9           H        TYR   9   9.369   7.915  -3.574
   49    HA   TYR   9           HA       TYR   9  10.780   8.157  -1.215
   50    HB2  TYR   9           2HB      TYR   9   9.169   9.826  -2.805
   51    HB3  TYR   9           3HB      TYR   9   8.504   9.932  -1.179
   52    HD1  TYR   9           HD1      TYR   9  11.872   9.915  -2.815
   53    HD2  TYR   9           HD2      TYR   9   9.342  11.605   0.160
   54    HE1  TYR   9           HE1      TYR   9  13.661  11.483  -2.193
   55    HE2  TYR   9           HE2      TYR   9  11.125  13.179   0.789
   56    HH   TYR   9           HH       TYR   9  13.992  13.559  -1.098
   57    H    GLU  10           H        GLU  10   7.538   6.993  -1.731
   58    HA   GLU  10           HA       GLU  10   6.648   7.193   0.959
   59    HB2  GLU  10           2HB      GLU  10   5.001   7.000  -0.760
   60    HB3  GLU  10           3HB      GLU  10   5.723   5.519  -1.373
   61    HG2  GLU  10           2HG      GLU  10   3.691   5.039  -0.155
   62    HG3  GLU  10           3HG      GLU  10   5.087   4.356   0.676
   63    H    CYS  11           H        CYS  11   7.766   4.400  -0.956
   64    HA   CYS  11           HA       CYS  11   7.778   2.580   1.193
   65    HB2  CYS  11           2HB      CYS  11   8.026   2.290  -1.457
   66    HB3  CYS  11           3HB      CYS  11   9.730   2.207  -1.019
   67    H    ASP  12           H        ASP  12  10.037   4.995   0.169
   68    HA   ASP  12           HA       ASP  12  12.334   3.957   1.483
   69    HB2  ASP  12           2HB      ASP  12  12.721   5.550  -0.232
   70    HB3  ASP  12           3HB      ASP  12  11.598   6.704   0.482
   71    H    ARG  13           H        ARG  13  10.275   6.747   2.337
   72    HA   ARG  13           HA       ARG  13  11.324   7.104   4.906
   73    HB2  ARG  13           2HB      ARG  13   8.595   7.808   3.814
   74    HB3  ARG  13           3HB      ARG  13   9.227   8.378   5.353
   75    HG2  ARG  13           2HG      ARG  13  11.213   9.049   3.567
   76    HG3  ARG  13           3HG      ARG  13   9.726   9.339   2.662
   77    HD2  ARG  13           2HD      ARG  13   8.981  10.945   4.146
   78    HD3  ARG  13           3HD      ARG  13   9.965  10.324   5.470
   79    HE   ARG  13           HE       ARG  13  10.730  12.277   3.531
   80   HH11  ARG  13          1HH1      ARG  13  11.922   9.737   5.591
   81   HH12  ARG  13          2HH1      ARG  13  13.523  10.392   5.692
   82   HH21  ARG  13          1HH2      ARG  13  12.834  13.149   3.656
   83   HH22  ARG  13          2HH2      ARG  13  14.040  12.333   4.591
   84    H    HIS  14           H        HIS  14   9.161   4.746   3.683
   85    HA   HIS  14           HA       HIS  14   7.656   4.119   5.955
   86    HB2  HIS  14           2HB      HIS  14   7.159   3.208   3.732
   87    HB3  HIS  14           3HB      HIS  14   8.647   2.267   3.776
   88    HD1  HIS  14           HD1      HIS  14   5.125   2.218   4.839
   89    HD2  HIS  14           HD2      HIS  14   8.604   0.105   5.673
   90    HE1  HIS  14           HE1      HIS  14   4.374   0.118   6.001
   91    H    CYS  15           H        CYS  15  10.837   2.963   4.908
   92    HA   CYS  15           HA       CYS  15  11.120   1.373   7.331
   93    HB2  CYS  15           2HB      CYS  15  13.022   1.776   5.012
   94    HB3  CYS  15           3HB      CYS  15  13.251   0.638   6.336
   95    H    VAL  16           H        VAL  16  12.307   4.343   5.912
   96    HA   VAL  16           HA       VAL  16  14.527   4.881   7.456
   97    HB   VAL  16           HB       VAL  16  12.427   6.854   6.545
   98   HG11  VAL  16          1HG1      VAL  16  14.730   8.247   6.564
   99   HG12  VAL  16          2HG1      VAL  16  13.595   8.218   7.916
  100   HG13  VAL  16          3HG1      VAL  16  15.012   7.168   7.930
  101   HG21  VAL  16          3HG2      VAL  16  14.817   6.944   5.011
  102   HG22  VAL  16          1HG2      VAL  16  14.276   5.267   5.090
  103   HG23  VAL  16          2HG2      VAL  16  13.188   6.517   4.486
  104    H    SER  17           H        SER  17  11.158   4.989   8.348
  105    HA   SER  17           HA       SER  17  11.579   6.444  10.789
  106    HB2  SER  17           2HB      SER  17   9.414   6.450   9.533
  107    HB3  SER  17           3HB      SER  17   9.190   4.763   9.993
  108    HG   SER  17           HG       SER  17   9.172   7.066  11.611
  109    H    LYS  18           H        LYS  18  11.346   3.072   9.843
  110    HA   LYS  18           HA       LYS  18  11.198   2.016  12.481
  111    HB2  LYS  18           2HB      LYS  18  11.747   0.890   9.766
  112    HB3  LYS  18           3HB      LYS  18  12.114  -0.088  11.180
  113    HG2  LYS  18           2HG      LYS  18   9.997  -0.781  10.933
  114    HG3  LYS  18           3HG      LYS  18   9.612   0.716  11.785
  115    HD2  LYS  18           2HD      LYS  18   8.609   1.587   9.989
  116    HD3  LYS  18           3HD      LYS  18   9.944   1.128   8.929
  117    HE2  LYS  18           2HE      LYS  18   8.340  -0.201   8.029
  118    HE3  LYS  18           3HE      LYS  18   8.875  -1.285   9.312
  119    HZ1  LYS  18           3HZ      LYS  18   6.391  -0.902   9.063
  120    HZ2  LYS  18           1HZ      LYS  18   6.663   0.630   9.728
  121    HZ3  LYS  18           2HZ      LYS  18   7.036  -0.757  10.621
  122    H    GLY  19           H        GLY  19  13.840   2.760  10.271
  123    HA2  GLY  19           2HA      GLY  19  15.824   3.455  11.841
  124    HA3  GLY  19           3HA      GLY  19  15.790   1.736  12.203
  125    H    TYR  20           H        TYR  20  15.191   0.769   9.625
  126    HA   TYR  20           HA       TYR  20  17.705   0.450   8.527
  127    HB2  TYR  20           2HB      TYR  20  15.122   0.325   6.965
  128    HB3  TYR  20           3HB      TYR  20  16.622  -0.523   6.609
  129    HD1  TYR  20           HD1      TYR  20  17.425  -2.277   8.280
  130    HD2  TYR  20           HD2      TYR  20  13.491  -0.656   8.332
  131    HE1  TYR  20           HE1      TYR  20  16.656  -4.202   9.604
  132    HE2  TYR  20           HE2      TYR  20  12.711  -2.576   9.657
  133    HH   TYR  20           HH       TYR  20  14.494  -4.481  11.361
  134    H    THR  21           H        THR  21  18.525   1.149   6.416
  135    HA   THR  21           HA       THR  21  18.794   3.901   6.214
  136    HB   THR  21           HB       THR  21  20.327   2.228   5.171
  137    HG1  THR  21           HG1      THR  21  20.785   3.579   3.397
  138   HG21  THR  21          3HG2      THR  21  18.666   0.777   4.136
  139   HG22  THR  21          1HG2      THR  21  19.779   1.400   2.918
  140   HG23  THR  21          2HG2      THR  21  18.161   2.087   3.069
  141    H    GLY  22           H        GLY  22  16.391   1.781   4.818
  142    HA2  GLY  22           2HA      GLY  22  14.313   3.368   4.474
  143    HA3  GLY  22           3HA      GLY  22  15.325   3.937   3.154
  144    H    GLY  23           H        GLY  23  12.724   2.726   2.940
  145    HA2  GLY  23           2HA      GLY  23  13.251   0.055   1.879
  146    HA3  GLY  23           3HA      GLY  23  11.672   0.799   2.085
  147    H    ASN  24           H        ASN  24  13.888  -0.178  -0.152
  148    HA   ASN  24           HA       ASN  24  12.804   1.673  -2.173
  149    HB2  ASN  24           2HB      ASN  24  15.430   0.333  -2.632
  150    HB3  ASN  24           3HB      ASN  24  14.853   1.897  -3.201
  151   HD21  ASN  24          1HD2      ASN  24  14.155   3.212  -0.995
  152   HD22  ASN  24          2HD2      ASN  24  15.503   3.412   0.066
  153    H    CYS  25           H        CYS  25  12.276   0.812  -4.192
  154    HA   CYS  25           HA       CYS  25  11.808  -2.079  -4.165
  155    HB2  CYS  25           2HB      CYS  25  10.699  -0.103  -6.155
  156    HB3  CYS  25           3HB      CYS  25  10.096  -1.713  -5.771
  157    H    ARG  26           H        ARG  26  12.048  -3.252  -6.239
  158    HA   ARG  26           HA       ARG  26  13.794  -2.186  -8.246
  159    HB2  ARG  26           2HB      ARG  26  15.573  -3.948  -7.847
  160    HB3  ARG  26           3HB      ARG  26  15.542  -2.611  -6.706
  161    HG2  ARG  26           2HG      ARG  26  14.744  -3.921  -4.983
  162    HG3  ARG  26           3HG      ARG  26  14.073  -5.131  -6.079
  163    HD2  ARG  26           2HD      ARG  26  15.941  -6.200  -5.219
  164    HD3  ARG  26           3HD      ARG  26  16.534  -5.549  -6.747
  165    HE   ARG  26           HE       ARG  26  16.952  -3.815  -4.486
  166   HH11  ARG  26          1HH1      ARG  26  18.237  -6.440  -6.377
  167   HH12  ARG  26          2HH1      ARG  26  19.880  -6.142  -5.914
  168   HH21  ARG  26          1HH2      ARG  26  19.110  -3.412  -3.869
  169   HH22  ARG  26          2HH2      ARG  26  20.375  -4.420  -4.487
  170    H    GLY  27           H        GLY  27  14.696  -4.327  -9.528
  171    HA2  GLY  27           2HA      GLY  27  12.231  -5.680 -10.307
  172    HA3  GLY  27           3HA      GLY  27  13.739  -5.663 -11.209
  173    H    LYS  28           H        LYS  28  13.471  -6.459  -7.799
  174    HA   LYS  28           HA       LYS  28  14.997  -8.787  -7.988
  175    HB2  LYS  28           2HB      LYS  28  14.127  -9.305  -5.716
  176    HB3  LYS  28           3HB      LYS  28  14.727  -7.660  -5.873
  177    HG2  LYS  28           2HG      LYS  28  12.128  -7.272  -6.458
  178    HG3  LYS  28           3HG      LYS  28  12.004  -8.644  -5.354
  179    HD2  LYS  28           2HD      LYS  28  13.776  -6.393  -4.569
  180    HD3  LYS  28           3HD      LYS  28  12.032  -6.129  -4.493
  181    HE2  LYS  28           2HE      LYS  28  13.004  -8.663  -3.340
  182    HE3  LYS  28           3HE      LYS  28  13.488  -7.198  -2.487
  183    HZ1  LYS  28           3HZ      LYS  28  11.061  -6.571  -2.560
  184    HZ2  LYS  28           1HZ      LYS  28  11.463  -7.860  -1.540
  185    HZ3  LYS  28           2HZ      LYS  28  10.745  -8.161  -3.041
  186    H    ILE  29           H        ILE  29  11.481  -8.355  -7.963
  187    HA   ILE  29           HA       ILE  29  11.161 -10.886  -9.336
  188    HB   ILE  29           HB       ILE  29   9.346 -11.592  -7.700
  189   HG12  ILE  29          2HG1      ILE  29  10.695 -10.351  -5.443
  190   HG13  ILE  29          3HG1      ILE  29   9.981  -9.150  -6.513
  191   HG21  ILE  29          1HG2      ILE  29  11.744 -12.506  -7.955
  192   HG22  ILE  29          2HG2      ILE  29  12.058 -11.672  -6.434
  193   HG23  ILE  29          3HG2      ILE  29  10.827 -12.932  -6.511
  194   HD11  ILE  29          3HD1      ILE  29   7.818 -10.124  -6.267
  195   HD12  ILE  29          1HD1      ILE  29   8.482 -11.497  -5.382
  196   HD13  ILE  29          2HD1      ILE  29   8.506  -9.888  -4.661
  197    H    ARG  30           H        ARG  30  10.597  -9.053 -10.840
  198    HA   ARG  30           HA       ARG  30   9.024  -7.982 -12.085
  199    HB2  ARG  30           2HB      ARG  30   7.794 -10.173 -11.611
  200    HB3  ARG  30           3HB      ARG  30   6.920  -9.287 -10.369
  201    HG2  ARG  30           2HG      ARG  30   6.662  -7.663 -12.565
  202    HG3  ARG  30           3HG      ARG  30   6.584  -9.284 -13.258
  203    HD2  ARG  30           2HD      ARG  30   4.960  -8.477 -10.860
  204    HD3  ARG  30           3HD      ARG  30   4.388  -8.231 -12.510
  205    HE   ARG  30           HE       ARG  30   5.227 -10.920 -12.048
  206   HH11  ARG  30          1HH1      ARG  30   2.605  -8.676 -11.590
  207   HH12  ARG  30          2HH1      ARG  30   1.388  -9.907 -11.538
  208   HH21  ARG  30          1HH2      ARG  30   3.633 -12.550 -11.980
  209   HH22  ARG  30          2HH2      ARG  30   1.974 -12.111 -11.759
  210    H    GLN  31           H        GLN  31  10.119  -6.375 -10.315
  211    HA   GLN  31           HA       GLN  31   9.859  -4.396  -9.225
  212    HB2  GLN  31           2HB      GLN  31   7.555  -4.639 -10.924
  213    HB3  GLN  31           3HB      GLN  31   7.097  -3.843  -9.424
  214    HG2  GLN  31           2HG      GLN  31   8.259  -1.982  -9.899
  215    HG3  GLN  31           3HG      GLN  31   9.581  -2.870 -10.653
  216   HE21  GLN  31          1HE2      GLN  31   9.585  -3.182 -12.828
  217   HE22  GLN  31          2HE2      GLN  31   8.419  -2.490 -13.898
  218    H    THR  32           H        THR  32  10.142  -4.683  -7.105
  219    HA   THR  32           HA       THR  32   7.811  -5.034  -5.422
  220    HB   THR  32           HB       THR  32  10.122  -6.971  -5.192
  221    HG1  THR  32           HG1      THR  32   8.777  -7.536  -6.927
  222   HG21  THR  32          3HG2      THR  32   9.176  -6.446  -3.028
  223   HG22  THR  32          1HG2      THR  32   8.667  -8.065  -3.507
  224   HG23  THR  32          2HG2      THR  32   7.543  -6.711  -3.641
  225    H    CYS  33           H        CYS  33   8.127  -4.343  -3.285
  226    HA   CYS  33           HA       CYS  33  10.287  -2.459  -2.968
  227    HB2  CYS  33           2HB      CYS  33   7.686  -2.934  -1.763
  228    HB3  CYS  33           3HB      CYS  33   8.914  -2.609  -0.544
  229    H    HIS  34           H        HIS  34  11.794  -2.441  -1.245
  230    HA   HIS  34           HA       HIS  34  12.076  -4.720   0.482
  231    HB2  HIS  34           2HB      HIS  34  13.047  -5.360  -1.837
  232    HB3  HIS  34           3HB      HIS  34  14.367  -4.275  -1.412
  233    HD1  HIS  34           HD1      HIS  34  12.633  -7.353  -0.012
  234    HD2  HIS  34           HD2      HIS  34  16.324  -5.447   0.058
  235    HE1  HIS  34           HE1      HIS  34  14.165  -8.900   1.247
  236    H    CYS  35           H        CYS  35  13.183  -4.202   2.288
  237    HA   CYS  35           HA       CYS  35  14.361  -1.517   2.392
  238    HB2  CYS  35           2HB      CYS  35  13.306  -3.351   4.546
  239    HB3  CYS  35           3HB      CYS  35  14.178  -1.862   4.896
  240    H    TYR  36           H        TYR  36  16.443  -1.160   3.004
  241    HA   TYR  36           HA       TYR  36  18.149  -3.542   3.225
  242    HB2  TYR  36           2HB      TYR  36  18.938  -0.704   2.536
  243    HB3  TYR  36           3HB      TYR  36  19.985  -2.118   2.489
  244    HD1  TYR  36           HD1      TYR  36  17.012  -0.559   0.919
  245    HD2  TYR  36           HD2      TYR  36  20.058  -3.511   0.583
  246    HE1  TYR  36           HE1      TYR  36  16.372  -0.945  -1.425
  247    HE2  TYR  36           HE2      TYR  36  19.427  -3.904  -1.761
  248    HH   TYR  36           HH       TYR  36  16.772  -2.092  -3.278