*HEADER    TOXIN                                   30-JAN-06   2DDL              
*TITLE     LEI4P                                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LEIUROTOXIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: LEI4P;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHMICALLY SYNTHESIZED. THE SEQUENCE IS                
*SOURCE   4 NUTURALLY FOUND IN SCORPION                                          
*KEYWDS    SCORPION TOXIN ANALOG                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.FERRAT                                                              
*REVDAT   1   24-APR-07 2DDL    0                                                


 assign (resid    1 and  name HA   )(resid    1 and  name HB*  ) 5.0 3.2 0.0
 assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 2.7 0.9 0.0
 assign (resid    1 and  name HB*  )(resid    2 and  name HN   ) 6.6 4.8 0.0
 assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 2.3 0.5 0.0
 assign (resid    2 and  name HB1  )(resid    2 and  name CG   ) 3.2 1.4 0.0
 assign (resid    2 and  name HB1  )(resid    3 and  name HN   ) 3.1 1.3 0.0
 assign (resid    2 and  name HB2  )(resid    2 and  name CG   ) 3.1 1.3 0.0
 assign (resid    2 and  name HB2  )(resid    3 and  name HN   ) 4.4 2.6 0.0
 assign (resid    2 and  name CG   )(resid    2 and  name CZ   ) 6.2 4.4 0.0
 assign (resid    2 and  name CZ   )(resid   22 and  name HA   ) 4.5 2.7 0.0
 assign (resid    2 and  name CZ   )(resid   23 and  name HN   ) 4.1 2.3 0.0
 assign (resid    2 and  name CZ   )(resid   23 and  name HB1  ) 7.5 5.7 0.0
 assign (resid    2 and  name CZ   )(resid   23 and  name HB2  ) 7.5 5.7 0.0
 assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 2.3 0.5 0.0
 assign (resid    3 and  name HB*  )(resid    4 and  name HN   ) 4.9 3.1 0.0
 assign (resid    3 and  name CB   )(resid   23 and  name SG   ) 3.1 1.3 0.0
 assign (resid    3 and  name SG   )(resid   23 and  name SG   ) 2.1 0.3 0.0
 assign (resid    3 and  name SG   )(resid   23 and  name CB   ) 3.1 1.3 0.0
 assign (resid    4 and  name HN   )(resid    4 and  name HB*  ) 3.4 1.6 0.0
 assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 3.5 1.7 0.0
 assign (resid    4 and  name HA   )(resid    4 and  name HD21 ) 5.3 3.5 0.0
 assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 2.3 0.5 0.0
 assign (resid    4 and  name HB*  )(resid    4 and  name HD21 ) 4.9 3.1 0.0
 assign (resid    4 and  name HB*  )(resid    4 and  name HD22 ) 6.1 4.3 0.0
 assign (resid    4 and  name HB*  )(resid    5 and  name HN   ) 4.9 3.1 0.0
 assign (resid    4 and  name HB*  )(resid    7 and  name HN   ) 4.8 3.0 0.0
 assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 2.9 1.1 0.0
 assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 3.7 1.9 0.0
 assign (resid    5 and  name HA   )(resid    8 and  name HN   ) 3.6 1.8 0.0
 assign (resid    5 and  name HA   )(resid    8 and  name HB2  ) 3.1 1.3 0.0
 assign (resid    5 and  name HA   )(resid    9 and  name HN   ) 4.1 2.3 0.0
 assign (resid    5 and  name HB1  )(resid    6 and  name HN   ) 3.2 1.4 0.0
 assign (resid    5 and  name HB2  )(resid    5 and  name HG   ) 2.4 0.6 0.0
 assign (resid    5 and  name #    )(resid   HG and  name CYSS ) 0.0 -1.8 0.0
 assign (resid    5 and  name O    )(resid    8 and  name HN   ) 2.2 0.4 0.0
 assign (resid    5 and  name O    )(resid    8 and  name N    ) 3.2 1.4 0.0
 assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 2.7 0.9 0.0
 assign (resid    6 and  name HN   )(resid    6 and  name HB*  ) 3.1 1.3 0.0
 assign (resid    6 and  name HN   )(resid    6 and  name HG1  ) 4.8 3.0 0.0
 assign (resid    6 and  name HN   )(resid    6 and  name HG2  ) 4.2 2.4 0.0
 assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 3.1 1.3 0.0
 assign (resid    6 and  name HA   )(resid    6 and  name HB*  ) 3.9 2.1 0.0
 assign (resid    6 and  name HA   )(resid    6 and  name HG1  ) 5.0 3.2 0.0
 assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 4.0 2.2 0.0
 assign (resid    6 and  name HA   )(resid    9 and  name HN   ) 3.5 1.7 0.0
 assign (resid    6 and  name HB*  )(resid    6 and  name HG1  ) 3.3 1.5 0.0
 assign (resid    6 and  name HB*  )(resid    6 and  name HG2  ) 3.4 1.6 0.0
 assign (resid    6 and  name HB*  )(resid    7 and  name HN   ) 3.9 2.1 0.0
 assign (resid    6 and  name HG1  )(resid    6 and  name HD1  ) 3.5 1.7 0.0
 assign (resid    6 and  name HG1  )(resid    6 and  name HD2  ) 3.8 2.0 0.0
 assign (resid    6 and  name HG2  )(resid    6 and  name HD1  ) 3.9 2.1 0.0
 assign (resid    6 and  name HG2  )(resid    6 and  name HD2  ) 3.9 2.1 0.0
 assign (resid    6 and  name HG2  )(resid    7 and  name HN   ) 5.0 3.2 0.0
 assign (resid    6 and  name HD1  )(resid    6 and  name NE   ) 5.5 3.7 0.0
 assign (resid    6 and  name HD2  )(resid    6 and  name NE   ) 4.5 2.7 0.0
 assign (resid    6 and  name O    )(resid    9 and  name HN   ) 2.2 0.4 0.0
 assign (resid    6 and  name O    )(resid    9 and  name N    ) 3.2 1.4 0.0
 assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.8 1.0 0.0
 assign (resid    7 and  name HA   )(resid    7 and  name HB*  ) 4.5 2.7 0.0
 assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 3.8 2.0 0.0
 assign (resid    7 and  name HA   )(resid   10 and  name HN   ) 3.4 1.6 0.0
 assign (resid    7 and  name HB*  )(resid    7 and  name HG1  ) 4.3 2.5 0.0
 assign (resid    7 and  name HB*  )(resid    7 and  name HG2  ) 4.5 2.7 0.0
 assign (resid    7 and  name HB*  )(resid    8 and  name HN   ) 4.2 2.4 0.0
 assign (resid    7 and  name O    )(resid   10 and  name HN   ) 2.2 0.4 0.0
 assign (resid    7 and  name O    )(resid   10 and  name N    ) 3.2 1.4 0.0
 assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.8 1.0 0.0
 assign (resid    8 and  name HA   )(resid    8 and  name HB2  ) 3.5 1.7 0.0
 assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 4.2 2.4 0.0
 assign (resid    8 and  name HB1  )(resid    9 and  name HN   ) 3.3 1.5 0.0
 assign (resid    8 and  name HB2  )(resid    9 and  name HN   ) 2.9 1.1 0.0
 assign (resid    8 and  name HA   )(resid   11 and  name HN   ) 3.4 1.6 0.0
 assign (resid    8 and  name CB   )(resid   28 and  name SG   ) 3.1 1.3 0.0
 assign (resid    8 and  name SG   )(resid   28 and  name SG   ) 2.1 0.3 0.0
 assign (resid    8 and  name SG   )(resid   28 and  name CB   ) 3.1 1.3 0.0
 assign (resid    8 and  name O    )(resid   11 and  name HN   ) 2.2 0.4 0.0
 assign (resid    8 and  name O    )(resid   11 and  name N    ) 3.2 1.4 0.0
 assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.8 1.0 0.0
 assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 3.8 2.0 0.0
 assign (resid    9 and  name HA   )(resid   12 and  name HN   ) 3.4 1.6 0.0
 assign (resid    9 and  name #    )(resid   HA and  name GLY  ) 0.0 -1.8 0.0
 assign (resid    9 and  name HB1  )(resid   10 and  name HN   ) 2.9 1.1 0.0
 assign (resid    9 and  name HB2  )(resid   10 and  name HN   ) 3.0 1.2 0.0
 assign (resid    9 and  name HG*  )(resid    9 and  name HE21 ) 4.6 2.8 0.0
 assign (resid    9 and  name HG*  )(resid   10 and  name HN   ) 7.0 5.2 0.0
 assign (resid    9 and  name #    )(resid   QG and  name GLY  ) 0.0 -1.8 0.0
 assign (resid    9 and  name O    )(resid   12 and  name HN   ) 2.2 0.4 0.0
 assign (resid    9 and  name O    )(resid   12 and  name N    ) 3.2 1.4 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 2.7 0.9 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HG   ) 6.0 4.2 0.0
 assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.8 1.0 0.0
 assign (resid   10 and  name HA   )(resid   10 and  name HB1  ) 3.5 1.7 0.0
 assign (resid   10 and  name HA   )(resid   10 and  name HB2  ) 3.8 2.0 0.0
 assign (resid   10 and  name HA   )(resid   10 and  name HG   ) 4.8 3.0 0.0
 assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 3.7 1.9 0.0
 assign (resid   10 and  name HA   )(resid   13 and  name HN   ) 4.1 2.3 0.0
 assign (resid   10 and  name HB1  )(resid   11 and  name HN   ) 3.2 1.4 0.0
 assign (resid   10 and  name HB2  )(resid   10 and  name HG   ) 3.0 1.2 0.0
 assign (resid   10 and  name HB2  )(resid   11 and  name HN   ) 3.2 1.4 0.0
 assign (resid   10 and  name O    )(resid   13 and  name HN   ) 2.2 0.4 0.0
 assign (resid   10 and  name O    )(resid   13 and  name N    ) 3.2 1.4 0.0
 assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.8 1.0 0.0
 assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 3.6 1.8 0.0
 assign (resid   11 and  name HB*  )(resid   12 and  name HN   ) 4.1 2.3 0.0
 assign (resid   11 and  name HA   )(resid   15 and  name HN   ) 3.4 1.6 0.0
 assign (resid   11 and  name O    )(resid   15 and  name HN   ) 2.2 0.4 0.0
 assign (resid   11 and  name O    )(resid   15 and  name N    ) 3.2 1.4 0.0
 assign (resid   12 and  name HN   )(resid   12 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   12 and  name HN   )(resid   12 and  name HB2  ) 3.1 1.3 0.0
 assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.8 1.0 0.0
 assign (resid   12 and  name HA   )(resid   12 and  name HB1  ) 3.4 1.6 0.0
 assign (resid   12 and  name HA   )(resid   12 and  name HB2  ) 3.8 2.0 0.0
 assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 4.2 2.4 0.0
 assign (resid   12 and  name HA   )(resid   16 and  name HN   ) 3.4 1.6 0.0
 assign (resid   12 and  name HB1  )(resid   13 and  name HN   ) 2.9 1.1 0.0
 assign (resid   12 and  name HB2  )(resid   13 and  name HN   ) 3.3 1.5 0.0
 assign (resid   12 and  name CB   )(resid   30 and  name SG   ) 3.1 1.3 0.0
 assign (resid   12 and  name SG   )(resid   30 and  name SG   ) 2.1 0.3 0.0
 assign (resid   12 and  name SG   )(resid   30 and  name CB   ) 3.1 1.3 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 2.9 1.1 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HB1  ) 2.7 0.9 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 2.7 0.9 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HG1  ) 5.2 3.4 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HG2  ) 4.8 3.0 0.0
 assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.8 1.0 0.0
 assign (resid   13 and  name HA   )(resid   13 and  name NE   ) 6.0 4.2 0.0
 assign (resid   13 and  name HB1  )(resid   13 and  name HD1  ) 4.3 2.5 0.0
 assign (resid   13 and  name HB2  )(resid   13 and  name HD1  ) 5.6 3.8 0.0
 assign (resid   13 and  name HB2  )(resid   13 and  name HD2  ) 6.0 4.2 0.0
 assign (resid   13 and  name HB1  )(resid   14 and  name HN   ) 3.7 1.9 0.0
 assign (resid   13 and  name HB2  )(resid   14 and  name HN   ) 3.9 2.1 0.0
 assign (resid   13 and  name HG1  )(resid   13 and  name HD1  ) 4.0 2.2 0.0
 assign (resid   13 and  name HG1  )(resid   13 and  name HD2  ) 4.4 2.6 0.0
 assign (resid   13 and  name HG2  )(resid   13 and  name HD1  ) 4.4 2.6 0.0
 assign (resid   13 and  name HG2  )(resid   13 and  name HD2  ) 3.6 1.8 0.0
 assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.8 1.0 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 4.3 2.5 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HB1  ) 3.4 1.6 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HB2  ) 3.1 1.3 0.0
 assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 3.9 2.1 0.0
 assign (resid   14 and  name HB1  )(resid   14 and  name HG*  ) 5.5 3.7 0.0
 assign (resid   14 and  name HB1  )(resid   14 and  name HD2  ) 3.5 1.7 0.0
 assign (resid   14 and  name HB2  )(resid   14 and  name HG*  ) 6.0 4.2 0.0
 assign (resid   14 and  name HB2  )(resid   14 and  name HD1  ) 2.8 1.0 0.0
 assign (resid   14 and  name HB2  )(resid   14 and  name HD2  ) 2.7 0.9 0.0
 assign (resid   14 and  name HB1  )(resid   15 and  name HN   ) 2.8 1.0 0.0
 assign (resid   14 and  name HB2  )(resid   15 and  name HN   ) 2.9 1.1 0.0
 assign (resid   14 and  name HG*  )(resid   14 and  name HD1  ) 3.5 1.7 0.0
 assign (resid   14 and  name HD1  )(resid   14 and  name HE*  ) 4.6 2.8 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 2.8 1.0 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name HB1  ) 3.3 1.5 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 0.0
 assign (resid   15 and  name HA   )(resid   15 and  name HB1  ) 3.6 1.8 0.0
 assign (resid   15 and  name HA   )(resid   15 and  name HB2  ) 4.1 2.3 0.0
 assign (resid   15 and  name HB1  )(resid   16 and  name HN   ) 4.2 2.4 0.0
 assign (resid   15 and  name HB2  )(resid   16 and  name HN   ) 4.3 2.5 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 3.1 1.3 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HG   ) 4.6 2.8 0.0
 assign (resid   16 and  name HB1  )(resid   16 and  name HG   ) 3.2 1.4 0.0
 assign (resid   16 and  name HB1  )(resid   16 and  name HD*  ) 4.3 2.5 0.0
 assign (resid   16 and  name HB1  )(resid   16 and  name HD*  ) 5.6 3.8 0.0
 assign (resid   17 and  name HA1  )(resid   19 and  name HN   ) 5.0 3.2 0.0
 assign (resid   17 and  name #    )(resid  HA1 and  name CYSS ) 0.0 -1.8 0.0
 assign (resid   17 and  name HA2  )(resid   19 and  name HN   ) 4.3 2.5 0.0
 assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 3.9 2.1 0.0
 assign (resid   18 and  name HN   )(resid   18 and  name HB2  ) 3.3 1.5 0.0
 assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 2.4 0.6 0.0
 assign (resid   18 and  name HB1  )(resid   19 and  name HN   ) 3.3 1.5 0.0
 assign (resid   18 and  name CB   )(resid   33 and  name SG   ) 3.1 1.3 0.0
 assign (resid   18 and  name SG   )(resid   33 and  name SG   ) 2.1 0.3 0.0
 assign (resid   18 and  name SG   )(resid   33 and  name CB   ) 3.1 1.3 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 2.9 1.1 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HB1  ) 3.2 1.4 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HG   ) 3.6 1.8 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   19 and  name HA   )(resid   19 and  name HD*  ) 6.4 4.6 0.0
 assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.3 1.5 0.0
 assign (resid   20 and  name HN   )(resid   20 and  name HG   ) 4.3 2.5 0.0
 assign (resid   20 and  name HN   )(resid   20 and  name HD*  ) 5.8 4.0 0.0
 assign (resid   20 and  name HN   )(resid   20 and  name HD*  ) 5.5 3.7 0.0
 assign (resid   20 and  name #    )(resid   HN and  name TYR  ) 0.0 -1.8 0.0
 assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 2.3 0.5 0.0
 assign (resid   20 and  name HG   )(resid   20 and  name HD*  ) 4.0 2.2 0.0
 assign (resid   20 and  name HD*  )(resid   31 and  name CG   ) 8.5 6.7 0.0
 assign (resid   20 and  name HD*  )(resid   31 and  name CZ   ) 9.0 7.2 0.0
 assign (resid   20 and  name O    )(resid   31 and  name N    ) 3.2 1.4 0.0
 assign (resid   20 and  name O    )(resid   31 and  name HN   ) 2.2 0.4 0.0
 assign (resid   21 and  name HN   )(resid   21 and  name HA1  ) 3.1 1.3 0.0
 assign (resid   21 and  name HN   )(resid   21 and  name HA2  ) 2.7 0.9 0.0
 assign (resid   21 and  name HA1  )(resid   22 and  name HN   ) 2.2 0.4 0.0
 assign (resid   21 and  name HA1  )(resid   30 and  name HA   ) 2.9 1.1 0.0
 assign (resid   21 and  name HA1  )(resid   31 and  name HN   ) 3.5 1.7 0.0
 assign (resid   21 and  name HA1  )(resid   31 and  name CG   ) 7.1 5.3 0.0
 assign (resid   21 and  name HA2  )(resid   22 and  name HN   ) 2.8 1.0 0.0
 assign (resid   21 and  name #    )(resid    N and  name LYS  ) 0.0 -1.8 0.0
 assign (resid   21 and  name #    )(resid   HN and  name LYS  ) 0.0 -1.8 0.0
 assign (resid   22 and  name HN   )(resid   29 and  name HN   ) 3.0 1.2 0.0
 assign (resid   22 and  name HN   )(resid   30 and  name HA   ) 3.5 1.7 0.0
 assign (resid   22 and  name HN   )(resid   31 and  name CG   ) 8.0 6.2 0.0
 assign (resid   22 and  name HN   )(resid   31 and  name CZ   ) 8.0 6.2 0.0
 assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 2.2 0.4 0.0
 assign (resid   22 and  name HB1  )(resid   23 and  name HN   ) 3.8 2.0 0.0
 assign (resid   22 and  name HB1  )(resid   31 and  name CZ   ) 6.8 5.0 0.0
 assign (resid   22 and  name HB2  )(resid   23 and  name HN   ) 4.1 2.3 0.0
 assign (resid   22 and  name HB2  )(resid   31 and  name CG   ) 8.0 6.2 0.0
 assign (resid   22 and  name HB2  )(resid   31 and  name CZ   ) 5.1 3.3 0.0
 assign (resid   22 and  name HD1  )(resid   31 and  name CZ   ) 7.7 5.9 0.0
 assign (resid   22 and  name HD2  )(resid   31 and  name CG   ) 7.2 5.4 0.0
 assign (resid   22 and  name HD2  )(resid   31 and  name CZ   ) 6.7 4.9 0.0
 assign (resid   22 and  name HD*  )(resid   31 and  name CG   ) 9.0 7.2 0.0
 assign (resid   22 and  name HD*  )(resid   31 and  name CZ   ) 9.0 7.2 0.0
 assign (resid   22 and  name O    )(resid   29 and  name N    ) 3.2 1.4 0.0
 assign (resid   22 and  name O    )(resid   29 and  name HN   ) 2.2 0.4 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 3.0 1.2 0.0
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 assign (resid   23 and  name HN   )(resid   23 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   23 and  name HA   )(resid   23 and  name HB1  ) 4.1 2.3 0.0
 assign (resid   23 and  name HA   )(resid   23 and  name HB2  ) 3.8 2.0 0.0
 assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 2.3 0.5 0.0
 assign (resid   23 and  name HA   )(resid   28 and  name HA   ) 3.1 1.3 0.0
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 assign (resid   23 and  name HB2  )(resid   24 and  name HN   ) 4.9 3.1 0.0
 assign (resid   23 and  name #    )(resid    N and  name LYS  ) 0.0 -1.8 0.0
 assign (resid   23 and  name #    )(resid   HN and  name LYS  ) 0.0 -1.8 0.0
 assign (resid   24 and  name HN   )(resid   27 and  name HN   ) 3.0 1.2 0.0
 assign (resid   24 and  name HN   )(resid   28 and  name HA   ) 3.7 1.9 0.0
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 assign (resid   24 and  name O    )(resid   27 and  name HN   ) 2.2 0.4 0.0
 assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 3.1 1.3 0.0
 assign (resid   25 and  name HA1  )(resid   26 and  name HN   ) 2.4 0.6 0.0
 assign (resid   25 and  name HA1  )(resid   27 and  name HN   ) 3.5 1.7 0.0
 assign (resid   25 and  name #    )(resid  HA2 and  name ASP  ) 0.0 -1.8 0.0
 assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 2.9 1.1 0.0
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 assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 2.9 1.1 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name HB1  ) 2.6 0.8 0.0
 assign (resid   27 and  name HA   )(resid   27 and  name HB1  ) 3.9 2.1 0.0
 assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 2.2 0.4 0.0
 assign (resid   27 and  name HB1  )(resid   27 and  name HG*  ) 3.9 2.1 0.0
 assign (resid   27 and  name HB1  )(resid   27 and  name HD*  ) 4.4 2.6 0.0
 assign (resid   27 and  name HB1  )(resid   28 and  name HN   ) 3.0 1.2 0.0
 assign (resid   27 and  name HB2  )(resid   27 and  name HE*  ) 6.0 4.2 0.0
 assign (resid   28 and  name HA   )(resid   29 and  name HN   ) 2.3 0.5 0.0
 assign (resid   28 and  name HB1  )(resid   29 and  name HN   ) 5.1 3.3 0.0
 assign (resid   28 and  name HB2  )(resid   29 and  name HN   ) 5.8 4.0 0.0
 assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 2.2 0.4 0.0
 assign (resid   29 and  name HB*  )(resid   29 and  name HG1  ) 5.4 3.6 0.0
 assign (resid   29 and  name HB*  )(resid   29 and  name HG2  ) 5.5 3.7 0.0
 assign (resid   29 and  name HB*  )(resid   30 and  name HN   ) 5.2 3.4 0.0
 assign (resid   29 and  name HG1  )(resid   29 and  name HD*  ) 4.2 2.4 0.0
 assign (resid   29 and  name HG2  )(resid   29 and  name HD*  ) 4.6 2.8 0.0
 assign (resid   30 and  name HA   )(resid   30 and  name HB1  ) 3.5 1.7 0.0
 assign (resid   30 and  name HA   )(resid   30 and  name HB2  ) 4.1 2.3 0.0
 assign (resid   30 and  name HA   )(resid   31 and  name HN   ) 2.8 1.0 0.0
 assign (resid   30 and  name HA   )(resid   31 and  name CG   ) 7.6 5.8 0.0
 assign (resid   30 and  name HB1  )(resid   31 and  name HN   ) 3.2 1.4 0.0
 assign (resid   30 and  name HB2  )(resid   31 and  name HN   ) 3.4 1.6 0.0
 assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 2.7 0.9 0.0
 assign (resid   31 and  name HN   )(resid   31 and  name HB2  ) 2.7 0.9 0.0
 assign (resid   31 and  name HN   )(resid   31 and  name CG   ) 5.8 4.0 0.0
 assign (resid   31 and  name HN   )(resid   33 and  name HN   ) 3.1 1.3 0.0
 assign (resid   31 and  name HB1  )(resid   31 and  name CG   ) 5.2 3.4 0.0
 assign (resid   31 and  name HB1  )(resid   31 and  name CZ   ) 8.0 6.2 0.0
 assign (resid   31 and  name HB2  )(resid   31 and  name CG   ) 5.1 3.3 0.0
 assign (resid   31 and  name CG   )(resid   31 and  name CZ   ) 6.5 4.7 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HA*  ) 2.9 1.1 0.0
 assign (resid   33 and  name HA   )(resid   33 and  name HB2  ) 3.1 1.3 0.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          HT1       ALA   1 -12.074  -3.446  -3.537
    2   2H    ALA   1          HT2       ALA   1 -10.416  -3.154  -3.202
    3   3H    ALA   1          HT3       ALA   1 -11.338  -1.991  -4.065
    4    HA   ALA   1           HA       ALA   1 -12.529  -1.371  -2.243
    5   1HB   ALA   1          HB1       ALA   1 -12.850  -2.619  -0.311
    6   2HB   ALA   1          HB2       ALA   1 -11.397  -3.584  -0.573
    7   3HB   ALA   1          HB3       ALA   1 -12.823  -3.846  -1.577
    8    H    PHE   2           HN       PHE   2 -11.602  -0.882   0.186
    9    HA   PHE   2           HA       PHE   2 -10.066   0.295   1.379
   10   1HB   PHE   2          HB2       PHE   2  -8.608  -1.849   0.146
   11   2HB   PHE   2          HB1       PHE   2  -7.588  -0.416   0.205
   12    HD1  PHE   2           HD1      PHE   2  -8.464   0.846   2.702
   13    HD2  PHE   2           HD2      PHE   2  -7.780  -3.253   1.785
   14    HE1  PHE   2           HE1      PHE   2  -7.973   0.402   5.071
   15    HE2  PHE   2           HE2      PHE   2  -7.289  -3.705   4.154
   16    HZ   PHE   2           HZ       PHE   2  -7.386  -1.876   5.800
   17    H    CYS   3           HN       CYS   3  -8.848   2.198   1.296
   18    HA   CYS   3           HA       CYS   3  -9.378   3.970  -0.742
   19   1HB   CYS   3          HB2       CYS   3  -7.105   5.079   0.215
   20   2HB   CYS   3          HB1       CYS   3  -8.660   5.190   1.025
   21    H    ASN   4           HN       ASN   4  -8.981   3.138  -2.778
   22    HA   ASN   4           HA       ASN   4  -7.802   2.539  -4.639
   23   1HB   ASN   4          HB2       ASN   4  -7.036   4.994  -3.948
   24   2HB   ASN   4          HB1       ASN   4  -5.484   4.187  -3.742
   25   1HD2  ASN   4          HD21      ASN   4  -6.047   6.198  -5.638
   26   2HD2  ASN   4          HD22      ASN   4  -5.865   5.508  -7.212
   27    H    LEU   5           HN       LEU   5  -7.515   0.361  -3.954
   28    HA   LEU   5           HA       LEU   5  -5.273  -0.509  -2.461
   29   1HB   LEU   5          HB2       LEU   5  -7.490  -1.729  -2.963
   30   2HB   LEU   5          HB1       LEU   5  -6.723  -2.210  -4.465
   31    HG   LEU   5           HG       LEU   5  -6.586  -3.934  -2.688
   32   1HD1  LEU   5          HD11      LEU   5  -3.843  -2.892  -3.325
   33   2HD1  LEU   5          HD12      LEU   5  -4.883  -3.620  -4.548
   34   3HD1  LEU   5          HD13      LEU   5  -4.373  -4.566  -3.150
   35   1HD2  LEU   5          HD21      LEU   5  -6.136  -1.918  -0.972
   36   2HD2  LEU   5          HD22      LEU   5  -4.477  -2.441  -1.264
   37   3HD2  LEU   5          HD23      LEU   5  -5.669  -3.589  -0.654
   38    H    ARG   6           HN       ARG   6  -5.931  -0.967  -5.949
   39    HA   ARG   6           HA       ARG   6  -3.558  -1.977  -6.756
   40   1HB   ARG   6          HB2       ARG   6  -5.048  -1.824  -8.495
   41   2HB   ARG   6          HB1       ARG   6  -5.581  -0.214  -8.038
   42   1HG   ARG   6          HG2       ARG   6  -3.586   0.755  -8.983
   43   2HG   ARG   6          HG1       ARG   6  -2.949  -0.847  -9.357
   44   1HD   ARG   6          HD2       ARG   6  -4.927  -1.222 -10.818
   45   2HD   ARG   6          HD1       ARG   6  -5.409   0.448 -10.524
   46    HE   ARG   6           HE       ARG   6  -2.757   0.385 -11.467
   47   1HH1  ARG   6          HH11      ARG   6  -6.027  -0.128 -12.572
   48   2HH1  ARG   6          HH12      ARG   6  -5.676   0.315 -14.209
   49   1HH2  ARG   6          HH21      ARG   6  -2.294   0.968 -13.619
   50   2HH2  ARG   6          HH22      ARG   6  -3.557   0.937 -14.804
   51    H    MET   7           HN       MET   7  -4.291   1.500  -6.882
   52    HA   MET   7           HA       MET   7  -1.741   2.431  -7.392
   53   1HB   MET   7          HB2       MET   7  -4.081   3.659  -7.062
   54   2HB   MET   7          HB1       MET   7  -3.416   3.972  -5.465
   55   1HG   MET   7          HG2       MET   7  -2.739   5.836  -6.597
   56   2HG   MET   7          HG1       MET   7  -1.335   4.790  -6.803
   57   1HE   MET   7          HE1       MET   7  -4.018   6.932  -8.896
   58   2HE   MET   7          HE2       MET   7  -2.642   7.166  -9.974
   59   3HE   MET   7          HE3       MET   7  -2.445   7.374  -8.233
   60    H    CYS   8           HN       CYS   8  -3.213   1.567  -4.298
   61    HA   CYS   8           HA       CYS   8  -1.220   2.467  -2.574
   62   1HB   CYS   8          HB2       CYS   8  -3.463   0.652  -2.441
   63   2HB   CYS   8          HB1       CYS   8  -2.101  -0.001  -1.542
   64    H    GLN   9           HN       GLN   9  -1.575  -0.634  -4.234
   65    HA   GLN   9           HA       GLN   9   0.586  -2.051  -3.330
   66   1HB   GLN   9          HB2       GLN   9  -1.066  -2.047  -5.674
   67   2HB   GLN   9          HB1       GLN   9   0.594  -2.359  -6.143
   68   1HG   GLN   9          HG2       GLN   9  -0.624  -3.872  -3.877
   69   2HG   GLN   9          HG1       GLN   9  -0.978  -4.332  -5.542
   70   1HE2  GLN   9          HE21      GLN   9   0.521  -5.411  -6.704
   71   2HE2  GLN   9          HE22      GLN   9   2.065  -5.889  -6.094
   72    H    LEU  10           HN       LEU  10   0.512   0.512  -5.713
   73    HA   LEU  10           HA       LEU  10   3.063   0.466  -6.647
   74   1HB   LEU  10          HB2       LEU  10   0.937   1.998  -7.084
   75   2HB   LEU  10          HB1       LEU  10   1.824   3.084  -6.049
   76    HG   LEU  10           HG       LEU  10   3.797   2.666  -7.693
   77   1HD1  LEU  10          HD11      LEU  10   2.415   0.823  -8.832
   78   2HD1  LEU  10          HD12      LEU  10   3.298   1.959  -9.852
   79   3HD1  LEU  10          HD13      LEU  10   1.560   2.151  -9.617
   80   1HD2  LEU  10          HD21      LEU  10   1.528   4.243  -8.844
   81   2HD2  LEU  10          HD22      LEU  10   3.251   4.619  -8.821
   82   3HD2  LEU  10          HD23      LEU  10   2.302   4.743  -7.340
   83    H    SER  11           HN       SER  11   1.741   2.368  -4.002
   84    HA   SER  11           HA       SER  11   4.058   3.565  -3.051
   85   1HB   SER  11          HB2       SER  11   1.448   2.816  -1.829
   86   2HB   SER  11          HB1       SER  11   2.762   3.224  -0.726
   87    HG   SER  11           HG       SER  11   2.993   5.167  -2.118
   88    H    CYS  12           HN       CYS  12   2.920   0.299  -2.621
   89    HA   CYS  12           HA       CYS  12   4.875  -0.369  -0.631
   90   1HB   CYS  12          HB2       CYS  12   2.497  -1.425  -1.444
   91   2HB   CYS  12          HB1       CYS  12   3.629  -2.497  -2.233
   92    H    ARG  13           HN       ARG  13   4.380  -0.752  -4.080
   93    HA   ARG  13           HA       ARG  13   6.605  -2.357  -4.672
   94   1HB   ARG  13          HB2       ARG  13   4.686  -1.737  -6.219
   95   2HB   ARG  13          HB1       ARG  13   5.501  -0.199  -6.473
   96   1HG   ARG  13          HG2       ARG  13   7.350  -1.242  -7.511
   97   2HG   ARG  13          HG1       ARG  13   6.823  -2.845  -6.996
   98   1HD   ARG  13          HD2       ARG  13   4.894  -1.316  -8.618
   99   2HD   ARG  13          HD1       ARG  13   6.364  -1.821  -9.450
  100    HE   ARG  13           HE       ARG  13   5.097  -3.928  -7.962
  101   1HH1  ARG  13          HH11      ARG  13   5.177  -2.227 -11.008
  102   2HH1  ARG  13          HH12      ARG  13   4.499  -3.545 -11.904
  103   1HH2  ARG  13          HH21      ARG  13   4.205  -5.662  -9.138
  104   2HH2  ARG  13          HH22      ARG  13   3.947  -5.495 -10.843
  105    H    LYS  14           HN       LYS  14   6.236   1.136  -4.394
  106    HA   LYS  14           HA       LYS  14   8.996   1.656  -5.055
  107   1HB   LYS  14          HB2       LYS  14   6.572   3.232  -4.572
  108   2HB   LYS  14          HB1       LYS  14   8.025   3.967  -3.909
  109   1HG   LYS  14          HG2       LYS  14   8.214   4.850  -5.958
  110   2HG   LYS  14          HG1       LYS  14   8.901   3.278  -6.368
  111   1HD   LYS  14          HD2       LYS  14   6.289   2.731  -6.686
  112   2HD   LYS  14          HD1       LYS  14   6.284   4.453  -7.075
  113   1HE   LYS  14          HE2       LYS  14   8.384   2.747  -8.304
  114   2HE   LYS  14          HE1       LYS  14   6.736   2.596  -8.913
  115   1HZ   LYS  14          HZ1       LYS  14   7.970   5.256  -8.622
  116   2HZ   LYS  14          HZ2       LYS  14   6.720   4.768  -9.651
  117   3HZ   LYS  14          HZ3       LYS  14   8.314   4.306  -9.979
  118    H    SER  15           HN       SER  15   6.978   2.070  -2.135
  119    HA   SER  15           HA       SER  15   9.091   2.737  -0.420
  120   1HB   SER  15          HB2       SER  15   6.651   3.085   0.054
  121   2HB   SER  15          HB1       SER  15   6.524   1.357   0.378
  122    HG   SER  15           HG       SER  15   8.350   3.058   1.719
  123    H    LEU  16           HN       LEU  16   7.279  -0.338  -0.369
  124    HA   LEU  16           HA       LEU  16   9.670  -1.917  -0.359
  125   1HB   LEU  16          HB2       LEU  16   8.443  -1.103   2.175
  126   2HB   LEU  16          HB1       LEU  16   8.666  -2.836   2.026
  127    HG   LEU  16           HG       LEU  16  10.990  -1.117   1.345
  128   1HD1  LEU  16          HD11      LEU  16  11.508  -0.444   3.453
  129   2HD1  LEU  16          HD12      LEU  16  10.614  -1.759   4.215
  130   3HD1  LEU  16          HD13      LEU  16   9.750  -0.366   3.564
  131   1HD2  LEU  16          HD21      LEU  16  10.628  -3.775   1.494
  132   2HD2  LEU  16          HD22      LEU  16  11.166  -3.450   3.141
  133   3HD2  LEU  16          HD23      LEU  16  12.180  -2.987   1.774
  134    H    GLY  17           HN       GLY  17   9.266  -3.987  -0.944
  135   1HA   GLY  17          HA2       GLY  17   6.626  -4.682  -1.845
  136   2HA   GLY  17          HA1       GLY  17   8.054  -5.706  -1.898
  137    H    CYS  18           HN       CYS  18   5.887  -4.223   0.479
  138    HA   CYS  18           HA       CYS  18   5.641  -6.924   1.525
  139   1HB   CYS  18          HB2       CYS  18   5.156  -4.525   3.206
  140   2HB   CYS  18          HB1       CYS  18   5.029  -6.255   3.546
  141    H    LEU  19           HN       LEU  19   4.254  -7.466   0.496
  142    HA   LEU  19           HA       LEU  19   1.997  -6.578  -0.649
  143   1HB   LEU  19          HB2       LEU  19   3.091  -9.042  -0.056
  144   2HB   LEU  19          HB1       LEU  19   1.505  -9.114   0.669
  145    HG   LEU  19           HG       LEU  19   2.138  -8.545  -2.216
  146   1HD1  LEU  19          HD11      LEU  19   2.368 -10.842  -1.912
  147   2HD1  LEU  19          HD12      LEU  19   0.702 -10.660  -2.462
  148   3HD1  LEU  19          HD13      LEU  19   1.043 -10.918  -0.751
  149   1HD2  LEU  19          HD21      LEU  19   0.246  -7.242  -1.800
  150   2HD2  LEU  19          HD22      LEU  19  -0.437  -8.425  -0.684
  151   3HD2  LEU  19          HD23      LEU  19  -0.411  -8.759  -2.415
  152    H    LEU  20           HN       LEU  20   2.389  -7.210   2.786
  153    HA   LEU  20           HA       LEU  20  -0.436  -6.565   3.250
  154   1HB   LEU  20          HB2       LEU  20   0.229  -7.203   5.660
  155   2HB   LEU  20          HB1       LEU  20   0.051  -8.471   4.463
  156    HG   LEU  20           HG       LEU  20   2.767  -7.323   4.899
  157   1HD1  LEU  20          HD11      LEU  20   1.186  -8.771   6.916
  158   2HD1  LEU  20          HD12      LEU  20   2.582  -7.711   7.109
  159   3HD1  LEU  20          HD13      LEU  20   2.811  -9.391   6.626
  160   1HD2  LEU  20          HD21      LEU  20   2.902 -10.065   4.751
  161   2HD2  LEU  20          HD22      LEU  20   3.115  -8.947   3.404
  162   3HD2  LEU  20          HD23      LEU  20   1.538  -9.679   3.701
  163    H    GLY  21           HN       GLY  21  -1.029  -5.024   4.857
  164   1HA   GLY  21          HA2       GLY  21   0.554  -3.365   6.301
  165   2HA   GLY  21          HA1       GLY  21   0.525  -2.628   4.721
  166    H    LYS  22           HN       LYS  22  -0.435  -0.838   5.590
  167    HA   LYS  22           HA       LYS  22  -3.332  -1.118   6.069
  168   1HB   LYS  22          HB2       LYS  22  -1.309   0.390   7.678
  169   2HB   LYS  22          HB1       LYS  22  -2.955   0.995   7.574
  170   1HG   LYS  22          HG2       LYS  22  -3.355  -1.634   8.186
  171   2HG   LYS  22          HG1       LYS  22  -1.871  -1.265   9.066
  172   1HD   LYS  22          HD2       LYS  22  -2.940   0.027  10.550
  173   2HD   LYS  22          HD1       LYS  22  -3.912   0.812   9.303
  174   1HE   LYS  22          HE2       LYS  22  -5.590  -0.295  10.343
  175   2HE   LYS  22          HE1       LYS  22  -5.059  -1.606   9.291
  176   1HZ   LYS  22          HZ1       LYS  22  -4.803  -1.319  12.169
  177   2HZ   LYS  22          HZ2       LYS  22  -3.460  -1.976  11.379
  178   3HZ   LYS  22          HZ3       LYS  22  -4.973  -2.716  11.230
  179    H    CYS  23           HN       CYS  23  -4.635   0.474   5.280
  180    HA   CYS  23           HA       CYS  23  -3.355   2.387   3.440
  181   1HB   CYS  23          HB2       CYS  23  -4.777   0.630   2.385
  182   2HB   CYS  23          HB1       CYS  23  -6.153   1.246   3.290
  183    H    ILE  24           HN       ILE  24  -4.229   4.510   3.282
  184    HA   ILE  24           HA       ILE  24  -6.124   5.337   5.367
  185    HB   ILE  24           HB       ILE  24  -3.278   6.025   5.216
  186   1HG1  ILE  24          HG12      ILE  24  -5.249   6.555   7.424
  187   2HG1  ILE  24          HG11      ILE  24  -4.586   4.953   7.117
  188   1HG2  ILE  24          HG21      ILE  24  -5.199   8.265   5.818
  189   2HG2  ILE  24          HG22      ILE  24  -4.315   8.115   4.301
  190   3HG2  ILE  24          HG23      ILE  24  -3.439   8.328   5.813
  191   1HD1  ILE  24          HD11      ILE  24  -2.650   7.166   7.388
  192   2HD1  ILE  24          HD12      ILE  24  -2.551   5.492   7.934
  193   3HD1  ILE  24          HD13      ILE  24  -3.509   6.661   8.844
  194    H    GLY  25           HN       GLY  25  -6.717   7.468   5.055
  195   1HA   GLY  25          HA2       GLY  25  -8.409   8.327   3.438
  196   2HA   GLY  25          HA1       GLY  25  -6.972   9.330   3.657
  197    H    ASP  26           HN       ASP  26  -5.267   8.843   2.620
  198    HA   ASP  26           HA       ASP  26  -5.542   7.916  -0.141
  199   1HB   ASP  26          HB2       ASP  26  -4.316  10.615   0.450
  200   2HB   ASP  26          HB1       ASP  26  -4.657   9.914  -1.130
  201    H    LYS  27           HN       LYS  27  -4.153   7.448   2.598
  202    HA   LYS  27           HA       LYS  27  -1.411   7.325   1.607
  203   1HB   LYS  27          HB2       LYS  27  -2.148   8.537   3.762
  204   2HB   LYS  27          HB1       LYS  27  -2.282   6.906   4.361
  205   1HG   LYS  27          HG2       LYS  27  -0.018   6.535   4.330
  206   2HG   LYS  27          HG1       LYS  27   0.252   7.738   3.067
  207   1HD   LYS  27          HD2       LYS  27  -0.605   8.427   5.873
  208   2HD   LYS  27          HD1       LYS  27   1.080   8.382   5.351
  209   1HE   LYS  27          HE2       LYS  27   0.905  10.303   4.177
  210   2HE   LYS  27          HE1       LYS  27  -0.741   9.954   3.651
  211   1HZ   LYS  27          HZ1       LYS  27  -0.143  11.831   5.427
  212   2HZ   LYS  27          HZ2       LYS  27  -0.400  10.531   6.479
  213   3HZ   LYS  27          HZ3       LYS  27  -1.624  11.011   5.415
  214    H    CYS  28           HN       CYS  28  -0.217   5.680   2.533
  215    HA   CYS  28           HA       CYS  28  -1.475   3.123   3.027
  216   1HB   CYS  28          HB2       CYS  28  -0.985   3.759   0.386
  217   2HB   CYS  28          HB1       CYS  28   0.431   2.812   0.832
  218    H    LYS  29           HN       LYS  29  -0.084   1.564   3.876
  219    HA   LYS  29           HA       LYS  29   2.744   2.102   4.098
  220   1HB   LYS  29          HB2       LYS  29   2.619   1.952   6.645
  221   2HB   LYS  29          HB1       LYS  29   2.137   3.475   5.910
  222   1HG   LYS  29          HG2       LYS  29  -0.253   2.506   6.020
  223   2HG   LYS  29          HG1       LYS  29   0.436   1.374   7.185
  224   1HD   LYS  29          HD2       LYS  29   0.534   4.384   7.384
  225   2HD   LYS  29          HD1       LYS  29  -0.550   3.328   8.292
  226   1HE   LYS  29          HE2       LYS  29   1.075   3.489   9.854
  227   2HE   LYS  29          HE1       LYS  29   1.797   2.190   8.907
  228   1HZ   LYS  29          HZ1       LYS  29   2.743   4.313   7.622
  229   2HZ   LYS  29          HZ2       LYS  29   3.552   3.577   8.913
  230   3HZ   LYS  29          HZ3       LYS  29   2.618   4.962   9.180
  231    H    CYS  30           HN       CYS  30   3.573   0.184   3.648
  232    HA   CYS  30           HA       CYS  30   2.168  -2.264   4.084
  233   1HB   CYS  30          HB2       CYS  30   5.105  -2.170   3.490
  234   2HB   CYS  30          HB1       CYS  30   3.888  -3.301   2.916
  235    H    TYR  31           HN       TYR  31   3.646  -4.136   5.234
  236    HA   TYR  31           HA       TYR  31   4.318  -3.130   7.721
  237   1HB   TYR  31          HB2       TYR  31   3.335  -5.869   7.039
  238   2HB   TYR  31          HB1       TYR  31   3.775  -5.352   8.658
  239    HD1  TYR  31           HD2      TYR  31   2.480  -2.666   8.743
  240    HD2  TYR  31           HD1      TYR  31   1.091  -6.387   7.220
  241    HE1  TYR  31           HE2      TYR  31   0.156  -1.965   9.155
  242    HE2  TYR  31           HE1      TYR  31  -1.231  -5.700   7.629
  243    HH   TYR  31           HH       TYR  31  -2.473  -4.154   8.997
  244    H    GLY  32           HN       GLY  32   5.470  -5.747   8.504
  245   1HA   GLY  32          HA2       GLY  32   8.081  -5.328   7.310
  246   2HA   GLY  32          HA1       GLY  32   7.698  -6.420   8.638
  247    H    CYS  33           HN       CYS  33   5.756  -6.389   5.709
  248    HA   CYS  33           HA       CYS  33   5.497  -7.936   4.043
  249   1HB   CYS  33          HB2       CYS  33   8.356  -8.537   4.780
  250   2HB   CYS  33          HB1       CYS  33   7.504  -9.479   3.566
  Start of MODEL    2
    1   1H    ALA   1          HT1       ALA   1 -15.664   1.438   3.755
    2   2H    ALA   1          HT2       ALA   1 -14.419   2.473   4.324
    3   3H    ALA   1          HT3       ALA   1 -14.039   0.893   3.771
    4    HA   ALA   1           HA       ALA   1 -14.947   1.560   1.587
    5   1HB   ALA   1          HB1       ALA   1 -14.738   4.116   1.284
    6   2HB   ALA   1          HB2       ALA   1 -14.975   4.181   3.031
    7   3HB   ALA   1          HB3       ALA   1 -16.211   3.460   2.000
    8    H    PHE   2           HN       PHE   2 -13.098   0.678   0.842
    9    HA   PHE   2           HA       PHE   2 -10.500   1.348   1.647
   10   1HB   PHE   2          HB2       PHE   2 -11.709  -0.445  -0.197
   11   2HB   PHE   2          HB1       PHE   2 -10.459   0.438  -1.066
   12    HD1  PHE   2           HD2      PHE   2  -8.165   0.632   0.225
   13    HD2  PHE   2           HD1      PHE   2 -11.117  -2.349   0.937
   14    HE1  PHE   2           HE2      PHE   2  -6.447  -0.827   1.212
   15    HE2  PHE   2           HE1      PHE   2  -9.405  -3.814   1.926
   16    HZ   PHE   2           HZ       PHE   2  -7.067  -3.053   2.064
   17    H    CYS   3           HN       CYS   3  -8.840   2.485   0.534
   18    HA   CYS   3           HA       CYS   3  -9.848   4.630  -1.217
   19   1HB   CYS   3          HB2       CYS   3  -7.707   5.838  -0.209
   20   2HB   CYS   3          HB1       CYS   3  -9.258   5.879   0.620
   21    H    ASN   4           HN       ASN   4  -9.367   3.198  -2.958
   22    HA   ASN   4           HA       ASN   4  -8.023   2.151  -4.517
   23   1HB   ASN   4          HB2       ASN   4  -7.141   4.993  -4.249
   24   2HB   ASN   4          HB1       ASN   4  -6.235   3.932  -5.324
   25   1HD2  ASN   4          HD21      ASN   4  -7.663   6.187  -6.164
   26   2HD2  ASN   4          HD22      ASN   4  -8.959   5.662  -7.179
   27    H    LEU   5           HN       LEU   5  -7.189   0.597  -3.032
   28    HA   LEU   5           HA       LEU   5  -4.556   1.057  -1.922
   29   1HB   LEU   5          HB2       LEU   5  -5.419  -0.333  -0.428
   30   2HB   LEU   5          HB1       LEU   5  -6.721  -0.818  -1.490
   31    HG   LEU   5           HG       LEU   5  -3.964  -1.972  -1.455
   32   1HD1  LEU   5          HD11      LEU   5  -5.257  -2.328   0.642
   33   2HD1  LEU   5          HD12      LEU   5  -4.814  -3.809  -0.208
   34   3HD1  LEU   5          HD13      LEU   5  -6.460  -3.187  -0.319
   35   1HD2  LEU   5          HD21      LEU   5  -6.283  -2.347  -3.186
   36   2HD2  LEU   5          HD22      LEU   5  -5.651  -3.854  -2.523
   37   3HD2  LEU   5          HD23      LEU   5  -4.596  -2.789  -3.451
   38    H    ARG   6           HN       ARG   6  -5.986  -0.709  -4.603
   39    HA   ARG   6           HA       ARG   6  -4.035  -2.404  -5.393
   40   1HB   ARG   6          HB2       ARG   6  -5.836  -2.475  -6.810
   41   2HB   ARG   6          HB1       ARG   6  -6.010  -0.727  -6.851
   42   1HG   ARG   6          HG2       ARG   6  -4.142  -0.549  -8.377
   43   2HG   ARG   6          HG1       ARG   6  -3.881  -2.292  -8.296
   44   1HD   ARG   6          HD2       ARG   6  -5.911  -2.747  -9.409
   45   2HD   ARG   6          HD1       ARG   6  -6.492  -1.097  -9.186
   46    HE   ARG   6           HE       ARG   6  -5.344  -0.480 -11.065
   47   1HH1  ARG   6          HH11      ARG   6  -4.143  -3.573  -9.986
   48   2HH1  ARG   6          HH12      ARG   6  -3.155  -3.818 -11.386
   49   1HH2  ARG   6          HH21      ARG   6  -4.045  -0.801 -12.908
   50   2HH2  ARG   6          HH22      ARG   6  -3.099  -2.245 -13.045
   51    H    MET   7           HN       MET   7  -4.234   0.948  -6.560
   52    HA   MET   7           HA       MET   7  -1.703   1.025  -7.732
   53   1HB   MET   7          HB2       MET   7  -1.889   3.453  -7.645
   54   2HB   MET   7          HB1       MET   7  -3.433   2.746  -8.100
   55   1HG   MET   7          HG2       MET   7  -4.314   3.099  -5.904
   56   2HG   MET   7          HG1       MET   7  -2.740   3.621  -5.308
   57   1HE   MET   7          HE1       MET   7  -4.260   6.651  -4.686
   58   2HE   MET   7          HE2       MET   7  -2.618   6.902  -5.279
   59   3HE   MET   7          HE3       MET   7  -3.011   5.449  -4.360
   60    H    CYS   8           HN       CYS   8  -2.703   1.602  -4.396
   61    HA   CYS   8           HA       CYS   8  -0.293   2.660  -3.440
   62   1HB   CYS   8          HB2       CYS   8  -2.662   1.362  -2.247
   63   2HB   CYS   8          HB1       CYS   8  -1.189   1.250  -1.292
   64    H    GLN   9           HN       GLN   9  -1.396  -0.663  -3.892
   65    HA   GLN   9           HA       GLN   9   0.591  -2.124  -2.677
   66   1HB   GLN   9          HB2       GLN   9  -1.311  -2.537  -4.782
   67   2HB   GLN   9          HB1       GLN   9   0.204  -3.296  -5.224
   68   1HG   GLN   9          HG2       GLN   9  -0.976  -4.969  -4.121
   69   2HG   GLN   9          HG1       GLN   9   0.148  -4.362  -2.907
   70   1HE2  GLN   9          HE21      GLN   9  -0.680  -2.859  -1.326
   71   2HE2  GLN   9          HE22      GLN   9  -2.337  -2.952  -0.848
   72    H    LEU  10           HN       LEU  10   0.643  -0.479  -5.776
   73    HA   LEU  10           HA       LEU  10   3.017  -1.305  -6.806
   74   1HB   LEU  10          HB2       LEU  10   1.143   0.426  -7.553
   75   2HB   LEU  10          HB1       LEU  10   2.327   1.566  -6.978
   76    HG   LEU  10           HG       LEU  10   3.933   0.142  -8.554
   77   1HD1  LEU  10          HD11      LEU  10   1.966  -1.372  -9.107
   78   2HD1  LEU  10          HD12      LEU  10   2.894  -0.738 -10.466
   79   3HD1  LEU  10          HD13      LEU  10   1.336  -0.022 -10.052
   80   1HD2  LEU  10          HD21      LEU  10   2.127   2.442  -9.123
   81   2HD2  LEU  10          HD22      LEU  10   3.100   1.772 -10.433
   82   3HD2  LEU  10          HD23      LEU  10   3.884   2.395  -8.981
   83    H    SER  11           HN       SER  11   2.369   1.502  -4.791
   84    HA   SER  11           HA       SER  11   4.928   2.488  -4.422
   85   1HB   SER  11          HB2       SER  11   4.102   3.681  -2.575
   86   2HB   SER  11          HB1       SER  11   2.657   3.387  -3.540
   87    HG   SER  11           HG       SER  11   3.512   2.004  -1.221
   88    H    CYS  12           HN       CYS  12   3.464  -0.338  -3.021
   89    HA   CYS  12           HA       CYS  12   5.500  -0.727  -1.045
   90   1HB   CYS  12          HB2       CYS  12   2.991  -1.690  -1.386
   91   2HB   CYS  12          HB1       CYS  12   3.927  -3.028  -2.019
   92    H    ARG  13           HN       ARG  13   4.677  -2.064  -4.206
   93    HA   ARG  13           HA       ARG  13   6.712  -3.941  -4.464
   94   1HB   ARG  13          HB2       ARG  13   4.769  -3.569  -6.036
   95   2HB   ARG  13          HB1       ARG  13   5.666  -2.217  -6.713
   96   1HG   ARG  13          HG2       ARG  13   7.115  -3.552  -7.820
   97   2HG   ARG  13          HG1       ARG  13   7.086  -4.803  -6.575
   98   1HD   ARG  13          HD2       ARG  13   5.152  -5.770  -7.411
   99   2HD   ARG  13          HD1       ARG  13   4.666  -4.303  -8.259
  100    HE   ARG  13           HE       ARG  13   7.093  -5.380  -9.297
  101   1HH1  ARG  13          HH11      ARG  13   3.622  -5.739  -9.357
  102   2HH1  ARG  13          HH12      ARG  13   3.599  -6.465 -10.929
  103   1HH2  ARG  13          HH21      ARG  13   7.065  -6.334 -11.365
  104   2HH2  ARG  13          HH22      ARG  13   5.553  -6.803 -12.069
  105    H    LYS  14           HN       LYS  14   6.722  -0.484  -5.186
  106    HA   LYS  14           HA       LYS  14   9.461  -0.502  -6.072
  107   1HB   LYS  14          HB2       LYS  14   7.263   1.430  -5.935
  108   2HB   LYS  14          HB1       LYS  14   8.832   2.134  -5.573
  109   1HG   LYS  14          HG2       LYS  14   9.708   1.416  -7.687
  110   2HG   LYS  14          HG1       LYS  14   8.231   0.516  -8.039
  111   1HD   LYS  14          HD2       LYS  14   6.978   2.467  -8.348
  112   2HD   LYS  14          HD1       LYS  14   8.165   3.469  -7.511
  113   1HE   LYS  14          HE2       LYS  14   8.580   2.114 -10.174
  114   2HE   LYS  14          HE1       LYS  14   8.199   3.820  -9.944
  115   1HZ   LYS  14          HZ1       LYS  14  10.445   3.946 -10.078
  116   2HZ   LYS  14          HZ2       LYS  14  10.701   2.393  -9.461
  117   3HZ   LYS  14          HZ3       LYS  14  10.322   3.665  -8.414
  118    H    SER  15           HN       SER  15   7.741   0.934  -3.291
  119    HA   SER  15           HA       SER  15  10.037   1.800  -1.939
  120   1HB   SER  15          HB2       SER  15   7.721   2.558  -1.432
  121   2HB   SER  15          HB1       SER  15   7.403   0.988  -0.695
  122    HG   SER  15           HG       SER  15   9.538   2.648   0.132
  123    H    LEU  16           HN       LEU  16   7.983  -0.964  -0.978
  124    HA   LEU  16           HA       LEU  16  10.432  -2.391  -0.183
  125   1HB   LEU  16          HB2       LEU  16   7.967  -1.892   1.451
  126   2HB   LEU  16          HB1       LEU  16   8.982  -3.287   1.761
  127    HG   LEU  16           HG       LEU  16   9.600  -1.548   3.289
  128   1HD1  LEU  16          HD11      LEU  16  11.726  -1.506   1.170
  129   2HD1  LEU  16          HD12      LEU  16  11.385  -2.942   2.135
  130   3HD1  LEU  16          HD13      LEU  16  11.917  -1.456   2.922
  131   1HD2  LEU  16          HD21      LEU  16   9.792   0.644   2.800
  132   2HD2  LEU  16          HD22      LEU  16   8.782   0.210   1.420
  133   3HD2  LEU  16          HD23      LEU  16  10.530   0.340   1.227
  134    H    GLY  17           HN       GLY  17  10.540  -4.119  -1.445
  135   1HA   GLY  17          HA2       GLY  17   8.598  -5.303  -2.974
  136   2HA   GLY  17          HA1       GLY  17   9.980  -6.180  -2.339
  137    H    CYS  18           HN       CYS  18   8.729  -5.631   0.495
  138    HA   CYS  18           HA       CYS  18   7.173  -7.998   0.211
  139   1HB   CYS  18          HB2       CYS  18   7.147  -6.333   2.677
  140   2HB   CYS  18          HB1       CYS  18   6.576  -7.977   2.351
  141    H    LEU  19           HN       LEU  19   5.711  -7.787  -0.894
  142    HA   LEU  19           HA       LEU  19   3.866  -5.714  -1.276
  143   1HB   LEU  19          HB2       LEU  19   4.404  -8.261  -2.363
  144   2HB   LEU  19          HB1       LEU  19   2.711  -8.249  -1.929
  145    HG   LEU  19           HG       LEU  19   4.109  -6.317  -3.767
  146   1HD1  LEU  19          HD11      LEU  19   3.747  -8.359  -4.899
  147   2HD1  LEU  19          HD12      LEU  19   2.448  -7.279  -5.406
  148   3HD1  LEU  19          HD13      LEU  19   2.132  -8.539  -4.212
  149   1HD2  LEU  19          HD21      LEU  19   2.529  -4.902  -2.978
  150   2HD2  LEU  19          HD22      LEU  19   1.489  -6.206  -2.405
  151   3HD2  LEU  19          HD23      LEU  19   1.508  -5.780  -4.117
  152    H    LEU  20           HN       LEU  20   2.949  -5.017   0.627
  153    HA   LEU  20           HA       LEU  20   0.559  -6.173   1.461
  154   1HB   LEU  20          HB2       LEU  20   1.055  -7.032   3.647
  155   2HB   LEU  20          HB1       LEU  20   2.042  -7.880   2.474
  156    HG   LEU  20           HG       LEU  20   3.269  -5.529   3.806
  157   1HD1  LEU  20          HD11      LEU  20   1.956  -7.027   5.508
  158   2HD1  LEU  20          HD12      LEU  20   3.597  -6.486   5.863
  159   3HD1  LEU  20          HD13      LEU  20   3.317  -8.123   5.269
  160   1HD2  LEU  20          HD21      LEU  20   4.694  -8.069   3.697
  161   2HD2  LEU  20          HD22      LEU  20   5.164  -6.477   3.102
  162   3HD2  LEU  20          HD23      LEU  20   4.135  -7.517   2.119
  163    H    GLY  21           HN       GLY  21  -0.542  -4.879   3.013
  164   1HA   GLY  21          HA2       GLY  21   0.428  -2.941   4.639
  165   2HA   GLY  21          HA1       GLY  21   0.349  -2.160   3.076
  166    H    LYS  22           HN       LYS  22  -1.111  -0.717   3.891
  167    HA   LYS  22           HA       LYS  22  -3.838  -1.450   3.496
  168   1HB   LYS  22          HB2       LYS  22  -4.552  -0.697   5.838
  169   2HB   LYS  22          HB1       LYS  22  -3.885  -2.314   5.673
  170   1HG   LYS  22          HG2       LYS  22  -2.778  -1.587   7.532
  171   2HG   LYS  22          HG1       LYS  22  -1.635  -1.111   6.275
  172   1HD   LYS  22          HD2       LYS  22  -1.725   0.901   7.277
  173   2HD   LYS  22          HD1       LYS  22  -3.238   1.079   6.385
  174   1HE   LYS  22          HE2       LYS  22  -3.950   1.594   8.498
  175   2HE   LYS  22          HE1       LYS  22  -4.238  -0.146   8.486
  176   1HZ   LYS  22          HZ1       LYS  22  -2.288   1.401   9.984
  177   2HZ   LYS  22          HZ2       LYS  22  -1.731  -0.071   9.364
  178   3HZ   LYS  22          HZ3       LYS  22  -3.074  -0.042  10.392
  179    H    CYS  23           HN       CYS  23  -5.171   0.281   3.212
  180    HA   CYS  23           HA       CYS  23  -3.825   2.890   3.116
  181   1HB   CYS  23          HB2       CYS  23  -4.764   2.047   0.996
  182   2HB   CYS  23          HB1       CYS  23  -6.357   1.960   1.739
  183    H    ILE  24           HN       ILE  24  -4.936   4.788   3.800
  184    HA   ILE  24           HA       ILE  24  -7.234   4.408   5.588
  185    HB   ILE  24           HB       ILE  24  -4.532   5.020   6.429
  186   1HG1  ILE  24          HG12      ILE  24  -6.952   4.768   8.180
  187   2HG1  ILE  24          HG11      ILE  24  -6.305   3.374   7.321
  188   1HG2  ILE  24          HG21      ILE  24  -5.412   7.369   6.256
  189   2HG2  ILE  24          HG22      ILE  24  -4.898   6.877   7.865
  190   3HG2  ILE  24          HG23      ILE  24  -6.613   6.931   7.469
  191   1HD1  ILE  24          HD11      ILE  24  -4.056   4.210   8.446
  192   2HD1  ILE  24          HD12      ILE  24  -5.192   3.146   9.277
  193   3HD1  ILE  24          HD13      ILE  24  -5.197   4.878   9.613
  194    H    GLY  25           HN       GLY  25  -7.977   6.397   6.290
  195   1HA   GLY  25          HA2       GLY  25  -9.529   7.896   5.035
  196   2HA   GLY  25          HA1       GLY  25  -8.266   8.691   5.975
  197    H    ASP  26           HN       ASP  26  -6.382   8.864   5.149
  198    HA   ASP  26           HA       ASP  26  -6.234   9.533   2.297
  199   1HB   ASP  26          HB2       ASP  26  -6.860  11.606   3.630
  200   2HB   ASP  26          HB1       ASP  26  -5.285  11.475   4.408
  201    H    LYS  27           HN       LYS  27  -5.162   7.695   4.564
  202    HA   LYS  27           HA       LYS  27  -2.316   8.082   4.058
  203   1HB   LYS  27          HB2       LYS  27  -3.423   7.895   6.385
  204   2HB   LYS  27          HB1       LYS  27  -3.501   6.208   5.953
  205   1HG   LYS  27          HG2       LYS  27  -1.226   5.909   6.057
  206   2HG   LYS  27          HG1       LYS  27  -0.898   7.614   5.742
  207   1HD   LYS  27          HD2       LYS  27  -1.913   8.088   8.014
  208   2HD   LYS  27          HD1       LYS  27  -1.858   6.347   8.299
  209   1HE   LYS  27          HE2       LYS  27   0.666   6.782   7.452
  210   2HE   LYS  27          HE1       LYS  27   0.322   8.332   8.219
  211   1HZ   LYS  27          HZ1       LYS  27   1.033   7.210  10.027
  212   2HZ   LYS  27          HZ2       LYS  27   0.612   5.692   9.413
  213   3HZ   LYS  27          HZ3       LYS  27  -0.576   6.690  10.085
  214    H    CYS  28           HN       CYS  28  -1.135   6.188   4.079
  215    HA   CYS  28           HA       CYS  28  -2.068   3.683   3.196
  216   1HB   CYS  28          HB2       CYS  28  -2.249   5.511   1.165
  217   2HB   CYS  28          HB1       CYS  28  -0.660   4.811   0.875
  218    H    LYS  29           HN       LYS  29  -0.519   2.209   3.554
  219    HA   LYS  29           HA       LYS  29   2.231   2.624   2.989
  220   1HB   LYS  29          HB2       LYS  29   1.578   3.989   5.208
  221   2HB   LYS  29          HB1       LYS  29   1.899   2.418   5.929
  222   1HG   LYS  29          HG2       LYS  29   4.125   2.423   4.856
  223   2HG   LYS  29          HG1       LYS  29   3.796   4.049   4.256
  224   1HD   LYS  29          HD2       LYS  29   3.245   4.399   6.866
  225   2HD   LYS  29          HD1       LYS  29   4.461   3.125   6.983
  226   1HE   LYS  29          HE2       LYS  29   4.729   5.861   5.768
  227   2HE   LYS  29          HE1       LYS  29   5.647   5.161   7.101
  228   1HZ   LYS  29          HZ1       LYS  29   5.819   4.473   4.224
  229   2HZ   LYS  29          HZ2       LYS  29   6.502   3.510   5.436
  230   3HZ   LYS  29          HZ3       LYS  29   7.036   5.100   5.218
  231    H    CYS  30           HN       CYS  30   3.462   0.812   3.236
  232    HA   CYS  30           HA       CYS  30   2.128  -1.653   3.170
  233   1HB   CYS  30          HB2       CYS  30   5.060  -1.170   3.731
  234   2HB   CYS  30          HB1       CYS  30   4.342  -2.674   3.164
  235    H    TYR  31           HN       TYR  31   2.800  -3.517   4.707
  236    HA   TYR  31           HA       TYR  31   2.174  -2.722   7.270
  237   1HB   TYR  31          HB2       TYR  31   1.696  -5.052   5.695
  238   2HB   TYR  31          HB1       TYR  31   2.362  -5.501   7.262
  239    HD1  TYR  31           HD2      TYR  31   1.174  -3.421   8.999
  240    HD2  TYR  31           HD1      TYR  31  -0.548  -5.672   5.827
  241    HE1  TYR  31           HE2      TYR  31  -1.047  -3.148  10.019
  242    HE2  TYR  31           HE1      TYR  31  -2.774  -5.405   6.837
  243    HH   TYR  31           HH       TYR  31  -3.217  -4.186  10.012
  244    H    GLY  32           HN       GLY  32   4.848  -2.223   6.257
  245   1HA   GLY  32          HA2       GLY  32   7.014  -2.343   6.997
  246   2HA   GLY  32          HA1       GLY  32   6.366  -3.003   8.494
  247    H    CYS  33           HN       CYS  33   5.511  -4.710   5.648
  248    HA   CYS  33           HA       CYS  33   6.076  -6.766   4.852
  249   1HB   CYS  33          HB2       CYS  33   8.204  -5.754   4.267
  250   2HB   CYS  33          HB1       CYS  33   8.804  -5.990   5.905
  Start of MODEL    3
    1   1H    ALA   1          HT1       ALA   1 -15.089   2.470   3.456
    2   2H    ALA   1          HT2       ALA   1 -13.945   3.552   4.138
    3   3H    ALA   1          HT3       ALA   1 -13.450   1.995   3.612
    4    HA   ALA   1           HA       ALA   1 -14.327   2.730   1.367
    5   1HB   ALA   1          HB1       ALA   1 -14.034   5.182   1.036
    6   2HB   ALA   1          HB2       ALA   1 -13.940   5.358   2.789
    7   3HB   ALA   1          HB3       ALA   1 -15.417   4.750   2.041
    8    H    PHE   2           HN       PHE   2 -12.530   1.596   0.778
    9    HA   PHE   2           HA       PHE   2  -9.910   2.084   1.642
   10   1HB   PHE   2          HB2       PHE   2 -11.222   0.368  -0.258
   11   2HB   PHE   2          HB1       PHE   2  -9.760   1.035  -0.978
   12    HD1  PHE   2           HD2      PHE   2  -8.001   1.232   1.379
   13    HD2  PHE   2           HD1      PHE   2 -10.688  -1.844   0.185
   14    HE1  PHE   2           HE2      PHE   2  -6.647  -0.418   2.600
   15    HE2  PHE   2           HE1      PHE   2  -9.339  -3.500   1.406
   16    HZ   PHE   2           HZ       PHE   2  -7.315  -2.788   2.615
   17    H    CYS   3           HN       CYS   3  -8.123   2.996   0.514
   18    HA   CYS   3           HA       CYS   3  -8.890   5.189  -1.300
   19   1HB   CYS   3          HB2       CYS   3  -6.594   6.140  -0.362
   20   2HB   CYS   3          HB1       CYS   3  -8.110   6.390   0.495
   21    H    ASN   4           HN       ASN   4  -8.599   3.772  -3.090
   22    HA   ASN   4           HA       ASN   4  -7.442   2.728  -4.761
   23   1HB   ASN   4          HB2       ASN   4  -6.583   5.270  -4.590
   24   2HB   ASN   4          HB1       ASN   4  -5.058   4.439  -4.301
   25   1HD2  ASN   4          HD21      ASN   4  -5.611   6.062  -6.527
   26   2HD2  ASN   4          HD22      ASN   4  -5.558   5.070  -7.940
   27    H    LEU   5           HN       LEU   5  -7.217   0.768  -3.574
   28    HA   LEU   5           HA       LEU   5  -4.931   0.223  -1.970
   29   1HB   LEU   5          HB2       LEU   5  -7.288  -0.973  -2.182
   30   2HB   LEU   5          HB1       LEU   5  -6.415  -1.971  -3.329
   31    HG   LEU   5           HG       LEU   5  -6.496  -2.934  -1.048
   32   1HD1  LEU   5          HD11      LEU   5  -4.557  -3.165  -2.780
   33   2HD1  LEU   5          HD12      LEU   5  -4.368  -3.796  -1.144
   34   3HD1  LEU   5          HD13      LEU   5  -3.643  -2.248  -1.582
   35   1HD2  LEU   5          HD21      LEU   5  -6.228  -0.513  -0.061
   36   2HD2  LEU   5          HD22      LEU   5  -4.512  -0.910  -0.137
   37   3HD2  LEU   5          HD23      LEU   5  -5.609  -1.919   0.805
   38    H    ARG   6           HN       ARG   6  -5.839  -1.080  -5.173
   39    HA   ARG   6           HA       ARG   6  -3.585  -2.420  -5.828
   40   1HB   ARG   6          HB2       ARG   6  -5.551  -0.861  -7.430
   41   2HB   ARG   6          HB1       ARG   6  -4.079  -1.385  -8.237
   42   1HG   ARG   6          HG2       ARG   6  -4.632  -3.598  -8.118
   43   2HG   ARG   6          HG1       ARG   6  -5.620  -3.387  -6.672
   44   1HD   ARG   6          HD2       ARG   6  -7.401  -3.441  -8.005
   45   2HD   ARG   6          HD1       ARG   6  -6.898  -1.864  -8.612
   46    HE   ARG   6           HE       ARG   6  -6.710  -4.392  -9.973
   47   1HH1  ARG   6          HH11      ARG   6  -5.452  -1.142  -9.772
   48   2HH1  ARG   6          HH12      ARG   6  -4.883  -1.128 -11.407
   49   1HH2  ARG   6          HH21      ARG   6  -5.961  -4.374 -12.124
   50   2HH2  ARG   6          HH22      ARG   6  -5.172  -2.962 -12.742
   51    H    MET   7           HN       MET   7  -4.124   0.971  -6.753
   52    HA   MET   7           HA       MET   7  -1.586   1.559  -7.663
   53   1HB   MET   7          HB2       MET   7  -3.798   3.012  -7.474
   54   2HB   MET   7          HB1       MET   7  -3.004   3.617  -6.026
   55   1HG   MET   7          HG2       MET   7  -2.137   5.118  -7.442
   56   2HG   MET   7          HG1       MET   7  -0.986   3.829  -7.790
   57   1HE   MET   7          HE1       MET   7  -0.232   4.685  -9.734
   58   2HE   MET   7          HE2       MET   7  -1.049   4.821 -11.291
   59   3HE   MET   7          HE3       MET   7  -0.622   3.232 -10.655
   60    H    CYS   8           HN       CYS   8  -2.822   1.605  -4.354
   61    HA   CYS   8           HA       CYS   8  -0.596   2.676  -3.059
   62   1HB   CYS   8          HB2       CYS   8  -2.972   1.225  -2.314
   63   2HB   CYS   8          HB1       CYS   8  -1.599   0.628  -1.395
   64    H    GLN   9           HN       GLN   9  -1.400  -0.670  -3.860
   65    HA   GLN   9           HA       GLN   9   0.700  -2.067  -2.795
   66   1HB   GLN   9          HB2       GLN   9  -1.163  -2.443  -4.945
   67   2HB   GLN   9          HB1       GLN   9   0.411  -3.038  -5.439
   68   1HG   GLN   9          HG2       GLN   9   0.477  -4.378  -3.333
   69   2HG   GLN   9          HG1       GLN   9  -1.191  -3.888  -3.041
   70   1HE2  GLN   9          HE21      GLN   9   0.602  -4.970  -5.908
   71   2HE2  GLN   9          HE22      GLN   9  -0.494  -6.239  -6.325
   72    H    LEU  10           HN       LEU  10   0.626  -0.157  -5.729
   73    HA   LEU  10           HA       LEU  10   3.085  -0.685  -6.764
   74   1HB   LEU  10          HB2       LEU  10   1.050   0.875  -7.468
   75   2HB   LEU  10          HB1       LEU  10   2.100   2.102  -6.811
   76    HG   LEU  10           HG       LEU  10   2.420   1.981  -9.198
   77   1HD1  LEU  10          HD11      LEU  10   4.802   0.635  -7.955
   78   2HD1  LEU  10          HD12      LEU  10   4.386   2.320  -7.642
   79   3HD1  LEU  10          HD13      LEU  10   4.768   1.796  -9.282
   80   1HD2  LEU  10          HD21      LEU  10   3.316  -0.871  -8.896
   81   2HD2  LEU  10          HD22      LEU  10   2.992   0.027 -10.379
   82   3HD2  LEU  10          HD23      LEU  10   1.660  -0.439  -9.321
   83    H    SER  11           HN       SER  11   2.117   1.953  -4.644
   84    HA   SER  11           HA       SER  11   4.670   3.014  -4.155
   85   1HB   SER  11          HB2       SER  11   2.324   3.066  -2.245
   86   2HB   SER  11          HB1       SER  11   3.663   4.211  -2.316
   87    HG   SER  11           HG       SER  11   1.953   5.125  -3.391
   88    H    CYS  12           HN       CYS  12   3.089   0.214  -2.913
   89    HA   CYS  12           HA       CYS  12   4.631  -0.092  -0.542
   90   1HB   CYS  12          HB2       CYS  12   2.354  -1.172  -1.609
   91   2HB   CYS  12          HB1       CYS  12   3.499  -2.466  -1.847
   92    H    ARG  13           HN       ARG  13   4.777  -1.205  -3.859
   93    HA   ARG  13           HA       ARG  13   7.070  -2.899  -3.429
   94   1HB   ARG  13          HB2       ARG  13   5.219  -3.197  -5.191
   95   2HB   ARG  13          HB1       ARG  13   6.069  -1.960  -6.107
   96   1HG   ARG  13          HG2       ARG  13   7.713  -4.203  -5.129
   97   2HG   ARG  13          HG1       ARG  13   6.523  -4.588  -6.374
   98   1HD   ARG  13          HD2       ARG  13   7.590  -2.322  -7.390
   99   2HD   ARG  13          HD1       ARG  13   8.984  -2.978  -6.532
  100    HE   ARG  13           HE       ARG  13   7.915  -3.922  -8.970
  101   1HH1  ARG  13          HH11      ARG  13   9.303  -5.067  -5.980
  102   2HH1  ARG  13          HH12      ARG  13   9.920  -6.526  -6.680
  103   1HH2  ARG  13          HH21      ARG  13   8.725  -5.840  -9.892
  104   2HH2  ARG  13          HH22      ARG  13   9.593  -6.965  -8.901
  105    H    LYS  14           HN       LYS  14   6.491   0.398  -4.375
  106    HA   LYS  14           HA       LYS  14   9.076   0.835  -5.526
  107   1HB   LYS  14          HB2       LYS  14   6.645   2.264  -5.339
  108   2HB   LYS  14          HB1       LYS  14   7.866   3.263  -4.563
  109   1HG   LYS  14          HG2       LYS  14   9.209   3.277  -6.538
  110   2HG   LYS  14          HG1       LYS  14   8.165   2.085  -7.315
  111   1HD   LYS  14          HD2       LYS  14   6.370   3.635  -7.472
  112   2HD   LYS  14          HD1       LYS  14   7.191   4.789  -6.418
  113   1HE   LYS  14          HE2       LYS  14   8.683   5.431  -8.063
  114   2HE   LYS  14          HE1       LYS  14   8.483   3.933  -8.971
  115   1HZ   LYS  14          HZ1       LYS  14   6.135   4.739  -9.397
  116   2HZ   LYS  14          HZ2       LYS  14   7.373   5.559 -10.205
  117   3HZ   LYS  14          HZ3       LYS  14   6.651   6.252  -8.841
  118    H    SER  15           HN       SER  15   7.600   2.263  -2.600
  119    HA   SER  15           HA       SER  15   9.982   3.127  -1.481
  120   1HB   SER  15          HB2       SER  15   7.745   2.423   0.300
  121   2HB   SER  15          HB1       SER  15   8.590   3.942   0.090
  122    HG   SER  15           HG       SER  15   6.419   4.040  -0.631
  123    H    LEU  16           HN       LEU  16   8.007   0.235  -0.821
  124    HA   LEU  16           HA       LEU  16  10.378  -0.980   0.440
  125   1HB   LEU  16          HB2       LEU  16   7.510  -1.484   1.228
  126   2HB   LEU  16          HB1       LEU  16   8.942  -2.128   2.008
  127    HG   LEU  16           HG       LEU  16   8.903   0.796   1.917
  128   1HD1  LEU  16          HD11      LEU  16   7.222   0.645   3.958
  129   2HD1  LEU  16          HD12      LEU  16   6.587  -0.698   3.009
  130   3HD1  LEU  16          HD13      LEU  16   6.667   0.917   2.306
  131   1HD2  LEU  16          HD21      LEU  16   9.565  -1.398   3.797
  132   2HD2  LEU  16          HD22      LEU  16   9.152   0.171   4.489
  133   3HD2  LEU  16          HD23      LEU  16  10.492   0.034   3.350
  134    H    GLY  17           HN       GLY  17   9.440  -3.544   0.776
  135   1HA   GLY  17          HA2       GLY  17   8.816  -4.395  -1.988
  136   2HA   GLY  17          HA1       GLY  17  10.014  -5.223  -0.998
  137    H    CYS  18           HN       CYS  18   7.692  -4.513   1.178
  138    HA   CYS  18           HA       CYS  18   6.527  -7.081   0.573
  139   1HB   CYS  18          HB2       CYS  18   5.750  -5.352   2.876
  140   2HB   CYS  18          HB1       CYS  18   5.220  -6.977   2.415
  141    H    LEU  19           HN       LEU  19   5.462  -6.942  -0.941
  142    HA   LEU  19           HA       LEU  19   3.893  -5.087  -2.148
  143   1HB   LEU  19          HB2       LEU  19   4.400  -7.803  -2.440
  144   2HB   LEU  19          HB1       LEU  19   2.661  -7.699  -2.310
  145    HG   LEU  19           HG       LEU  19   4.400  -6.293  -4.323
  146   1HD1  LEU  19          HD11      LEU  19   4.216  -8.381  -5.204
  147   2HD1  LEU  19          HD12      LEU  19   2.700  -7.700  -5.795
  148   3HD1  LEU  19          HD13      LEU  19   2.705  -8.725  -4.361
  149   1HD2  LEU  19          HD21      LEU  19   2.456  -5.298  -5.236
  150   2HD2  LEU  19          HD22      LEU  19   2.416  -4.967  -3.505
  151   3HD2  LEU  19          HD23      LEU  19   1.396  -6.235  -4.183
  152    H    LEU  20           HN       LEU  20   3.082  -7.014   0.649
  153    HA   LEU  20           HA       LEU  20   0.283  -6.325   0.604
  154   1HB   LEU  20          HB2       LEU  20   0.863  -8.446   1.525
  155   2HB   LEU  20          HB1       LEU  20   2.049  -7.728   2.599
  156    HG   LEU  20           HG       LEU  20   0.157  -6.573   3.776
  157   1HD1  LEU  20          HD11      LEU  20  -2.011  -6.879   3.232
  158   2HD1  LEU  20          HD12      LEU  20  -1.755  -8.539   2.693
  159   3HD1  LEU  20          HD13      LEU  20  -1.335  -7.193   1.633
  160   1HD2  LEU  20          HD21      LEU  20   1.083  -8.442   4.858
  161   2HD2  LEU  20          HD22      LEU  20   0.369  -9.568   3.704
  162   3HD2  LEU  20          HD23      LEU  20  -0.658  -8.723   4.863
  163    H    GLY  21           HN       GLY  21  -0.766  -5.135   2.278
  164   1HA   GLY  21          HA2       GLY  21   0.368  -3.659   4.255
  165   2HA   GLY  21          HA1       GLY  21   0.499  -2.651   2.833
  166    H    LYS  22           HN       LYS  22  -0.798  -1.147   3.801
  167    HA   LYS  22           HA       LYS  22  -3.612  -1.532   3.291
  168   1HB   LYS  22          HB2       LYS  22  -3.222  -2.430   5.631
  169   2HB   LYS  22          HB1       LYS  22  -2.819  -0.786   6.104
  170   1HG   LYS  22          HG2       LYS  22  -4.971  -0.070   5.974
  171   2HG   LYS  22          HG1       LYS  22  -5.392  -1.214   4.698
  172   1HD   LYS  22          HD2       LYS  22  -5.753  -2.945   6.190
  173   2HD   LYS  22          HD1       LYS  22  -4.739  -2.217   7.437
  174   1HE   LYS  22          HE2       LYS  22  -7.158  -0.719   6.615
  175   2HE   LYS  22          HE1       LYS  22  -7.407  -2.196   7.544
  176   1HZ   LYS  22          HZ1       LYS  22  -7.230  -0.544   9.143
  177   2HZ   LYS  22          HZ2       LYS  22  -5.977   0.259   8.341
  178   3HZ   LYS  22          HZ3       LYS  22  -5.676  -1.211   9.120
  179    H    CYS  23           HN       CYS  23  -4.728   0.348   3.019
  180    HA   CYS  23           HA       CYS  23  -3.081   2.781   2.970
  181   1HB   CYS  23          HB2       CYS  23  -4.068   2.091   0.824
  182   2HB   CYS  23          HB1       CYS  23  -5.676   2.171   1.536
  183    H    ILE  24           HN       ILE  24  -3.985   4.792   3.632
  184    HA   ILE  24           HA       ILE  24  -6.315   4.680   5.431
  185    HB   ILE  24           HB       ILE  24  -4.047   6.354   6.296
  186   1HG1  ILE  24          HG12      ILE  24  -2.939   4.194   5.765
  187   2HG1  ILE  24          HG11      ILE  24  -2.942   4.539   7.492
  188   1HG2  ILE  24          HG21      ILE  24  -6.409   5.014   7.439
  189   2HG2  ILE  24          HG22      ILE  24  -5.710   6.593   7.799
  190   3HG2  ILE  24          HG23      ILE  24  -5.000   5.136   8.494
  191   1HD1  ILE  24          HD11      ILE  24  -3.992   2.642   7.922
  192   2HD1  ILE  24          HD12      ILE  24  -3.803   2.216   6.221
  193   3HD1  ILE  24          HD13      ILE  24  -5.271   3.025   6.770
  194    H    GLY  25           HN       GLY  25  -6.790   6.756   6.127
  195   1HA   GLY  25          HA2       GLY  25  -8.178   8.416   4.854
  196   2HA   GLY  25          HA1       GLY  25  -6.825   9.062   5.786
  197    H    ASP  26           HN       ASP  26  -4.932   9.010   4.957
  198    HA   ASP  26           HA       ASP  26  -4.699   9.575   2.096
  199   1HB   ASP  26          HB2       ASP  26  -3.630  11.482   4.187
  200   2HB   ASP  26          HB1       ASP  26  -3.539  11.679   2.440
  201    H    LYS  27           HN       LYS  27  -3.843   7.698   4.423
  202    HA   LYS  27           HA       LYS  27  -0.969   7.776   3.928
  203   1HB   LYS  27          HB2       LYS  27  -2.094   7.784   6.251
  204   2HB   LYS  27          HB1       LYS  27  -2.347   6.101   5.878
  205   1HG   LYS  27          HG2       LYS  27  -0.182   5.543   6.177
  206   2HG   LYS  27          HG1       LYS  27   0.396   7.075   5.519
  207   1HD   LYS  27          HD2       LYS  27   0.425   8.079   7.541
  208   2HD   LYS  27          HD1       LYS  27  -1.044   7.263   8.081
  209   1HE   LYS  27          HE2       LYS  27   0.315   5.178   8.341
  210   2HE   LYS  27          HE1       LYS  27   1.752   6.142   8.005
  211   1HZ   LYS  27          HZ1       LYS  27   0.707   7.589   9.938
  212   2HZ   LYS  27          HZ2       LYS  27   1.738   6.285  10.250
  213   3HZ   LYS  27          HZ3       LYS  27   0.064   6.089  10.383
  214    H    CYS  28           HN       CYS  28   0.014   5.775   4.028
  215    HA   CYS  28           HA       CYS  28  -1.212   3.372   3.135
  216   1HB   CYS  28          HB2       CYS  28  -1.319   4.813   1.053
  217   2HB   CYS  28          HB1       CYS  28   0.441   4.762   1.023
  218    H    LYS  29           HN       LYS  29   0.060   1.730   3.748
  219    HA   LYS  29           HA       LYS  29   2.938   1.908   3.548
  220   1HB   LYS  29          HB2       LYS  29   3.258   1.400   5.997
  221   2HB   LYS  29          HB1       LYS  29   2.751   3.042   5.627
  222   1HG   LYS  29          HG2       LYS  29   0.660   2.748   6.522
  223   2HG   LYS  29          HG1       LYS  29   0.680   1.001   6.271
  224   1HD   LYS  29          HD2       LYS  29   2.738   1.275   8.002
  225   2HD   LYS  29          HD1       LYS  29   1.704   2.609   8.519
  226   1HE   LYS  29          HE2       LYS  29  -0.015   1.212   9.147
  227   2HE   LYS  29          HE1       LYS  29   0.492  -0.075   8.054
  228   1HZ   LYS  29          HZ1       LYS  29   2.578   0.020   9.695
  229   2HZ   LYS  29          HZ2       LYS  29   1.238  -0.979   9.959
  230   3HZ   LYS  29          HZ3       LYS  29   1.359   0.504  10.764
  231    H    CYS  30           HN       CYS  30   3.965  -0.040   3.641
  232    HA   CYS  30           HA       CYS  30   2.407  -2.327   3.029
  233   1HB   CYS  30          HB2       CYS  30   5.344  -2.069   3.691
  234   2HB   CYS  30          HB1       CYS  30   4.589  -3.530   3.064
  235    H    TYR  31           HN       TYR  31   3.012  -4.476   4.266
  236    HA   TYR  31           HA       TYR  31   2.302  -4.074   6.901
  237   1HB   TYR  31          HB2       TYR  31   1.632  -6.030   4.936
  238   2HB   TYR  31          HB1       TYR  31   2.183  -6.809   6.414
  239    HD1  TYR  31           HD1      TYR  31   0.351  -3.595   6.240
  240    HD2  TYR  31           HD2      TYR  31   0.133  -7.749   7.136
  241    HE1  TYR  31           HE1      TYR  31  -1.869  -3.256   7.241
  242    HE2  TYR  31           HE2      TYR  31  -2.088  -7.421   8.139
  243    HH   TYR  31           HH       TYR  31  -3.435  -5.674   9.101
  244    H    GLY  32           HN       GLY  32   3.997  -6.847   5.610
  245   1HA   GLY  32          HA2       GLY  32   5.655  -7.171   7.850
  246   2HA   GLY  32          HA1       GLY  32   5.912  -7.912   6.277
  247    H    CYS  33           HN       CYS  33   5.934  -5.032   5.161
  248    HA   CYS  33           HA       CYS  33   8.129  -3.674   6.255
  249   1HB   CYS  33          HB2       CYS  33   9.948  -4.271   4.804
  250   2HB   CYS  33          HB1       CYS  33   9.336  -5.744   5.542
  Start of MODEL    4
    1   1H    ALA   1          HT1       ALA   1 -14.698  -0.582   3.720
    2   2H    ALA   1          HT2       ALA   1 -14.405  -1.305   2.191
    3   3H    ALA   1          HT3       ALA   1 -15.895  -0.510   2.495
    4    HA   ALA   1           HA       ALA   1 -14.796   1.018   1.286
    5   1HB   ALA   1          HB1       ALA   1 -14.094   2.778   2.850
    6   2HB   ALA   1          HB2       ALA   1 -14.073   1.594   4.157
    7   3HB   ALA   1          HB3       ALA   1 -15.592   1.998   3.357
    8    H    PHE   2           HN       PHE   2 -12.860   2.130   0.639
    9    HA   PHE   2           HA       PHE   2 -10.294   1.533   1.605
   10   1HB   PHE   2          HB2       PHE   2 -11.422  -0.496  -0.090
   11   2HB   PHE   2          HB1       PHE   2 -10.051   0.249  -0.905
   12    HD1  PHE   2           HD2      PHE   2  -8.316   0.877   1.412
   13    HD2  PHE   2           HD1      PHE   2 -10.624  -2.587   0.529
   14    HE1  PHE   2           HE2      PHE   2  -6.775  -0.487   2.759
   15    HE2  PHE   2           HE1      PHE   2  -9.087  -3.958   1.876
   16    HZ   PHE   2           HZ       PHE   2  -7.159  -2.908   2.992
   17    H    CYS   3           HN       CYS   3  -8.615   2.502   0.364
   18    HA   CYS   3           HA       CYS   3  -9.613   4.435  -1.624
   19   1HB   CYS   3          HB2       CYS   3  -7.384   5.655  -0.848
   20   2HB   CYS   3          HB1       CYS   3  -8.897   5.858   0.025
   21    H    ASN   4           HN       ASN   4  -9.234   2.928  -3.321
   22    HA   ASN   4           HA       ASN   4  -8.017   1.763  -4.872
   23   1HB   ASN   4          HB2       ASN   4  -6.178   3.119  -5.877
   24   2HB   ASN   4          HB1       ASN   4  -7.681   4.013  -5.674
   25   1HD2  ASN   4          HD21      ASN   4  -4.373   3.805  -4.881
   26   2HD2  ASN   4          HD22      ASN   4  -4.291   5.202  -3.867
   27    H    LEU   5           HN       LEU   5  -7.478   0.042  -3.441
   28    HA   LEU   5           HA       LEU   5  -5.080   0.003  -1.927
   29   1HB   LEU   5          HB2       LEU   5  -7.234  -1.513  -1.851
   30   2HB   LEU   5          HB1       LEU   5  -6.315  -2.508  -2.965
   31    HG   LEU   5           HG       LEU   5  -5.571  -1.773  -0.139
   32   1HD1  LEU   5          HD11      LEU   5  -5.808  -4.081   0.338
   33   2HD1  LEU   5          HD12      LEU   5  -5.974  -4.486  -1.371
   34   3HD1  LEU   5          HD13      LEU   5  -7.254  -3.595  -0.548
   35   1HD2  LEU   5          HD21      LEU   5  -3.657  -3.452  -0.703
   36   2HD2  LEU   5          HD22      LEU   5  -3.492  -1.750  -1.136
   37   3HD2  LEU   5          HD23      LEU   5  -3.950  -2.932  -2.363
   38    H    ARG   6           HN       ARG   6  -5.918  -1.582  -5.015
   39    HA   ARG   6           HA       ARG   6  -3.597  -2.813  -5.649
   40   1HB   ARG   6          HB2       ARG   6  -5.346  -1.192  -7.506
   41   2HB   ARG   6          HB1       ARG   6  -4.116  -2.327  -8.041
   42   1HG   ARG   6          HG2       ARG   6  -5.483  -3.969  -6.474
   43   2HG   ARG   6          HG1       ARG   6  -6.780  -2.833  -6.850
   44   1HD   ARG   6          HD2       ARG   6  -5.149  -4.495  -8.753
   45   2HD   ARG   6          HD1       ARG   6  -6.891  -4.539  -8.487
   46    HE   ARG   6           HE       ARG   6  -6.469  -2.012  -9.346
   47   1HH1  ARG   6          HH11      ARG   6  -5.555  -5.137 -10.603
   48   2HH1  ARG   6          HH12      ARG   6  -5.581  -4.620 -12.255
   49   1HH2  ARG   6          HH21      ARG   6  -6.505  -1.330 -11.519
   50   2HH2  ARG   6          HH22      ARG   6  -6.120  -2.458 -12.776
   51    H    MET   7           HN       MET   7  -4.326   0.522  -6.653
   52    HA   MET   7           HA       MET   7  -1.820   1.196  -7.611
   53   1HB   MET   7          HB2       MET   7  -4.127   2.712  -6.530
   54   2HB   MET   7          HB1       MET   7  -2.591   3.567  -6.563
   55   1HG   MET   7          HG2       MET   7  -3.447   2.135  -9.016
   56   2HG   MET   7          HG1       MET   7  -4.270   3.634  -8.591
   57   1HE   MET   7          HE1       MET   7  -2.884   6.215  -9.024
   58   2HE   MET   7          HE2       MET   7  -1.296   6.095  -8.266
   59   3HE   MET   7          HE3       MET   7  -2.719   5.462  -7.438
   60    H    CYS   8           HN       CYS   8  -3.047   1.326  -4.294
   61    HA   CYS   8           HA       CYS   8  -0.846   2.550  -3.086
   62   1HB   CYS   8          HB2       CYS   8  -3.145   0.976  -2.217
   63   2HB   CYS   8          HB1       CYS   8  -1.725   0.681  -1.222
   64    H    GLN   9           HN       GLN   9  -1.523  -0.849  -3.784
   65    HA   GLN   9           HA       GLN   9   0.613  -2.134  -2.635
   66   1HB   GLN   9          HB2       GLN   9  -1.225  -2.636  -4.776
   67   2HB   GLN   9          HB1       GLN   9   0.367  -3.199  -5.245
   68   1HG   GLN   9          HG2       GLN   9  -0.398  -3.960  -2.531
   69   2HG   GLN   9          HG1       GLN   9  -1.453  -4.614  -3.783
   70   1HE2  GLN   9          HE21      GLN   9  -0.042  -5.359  -5.778
   71   2HE2  GLN   9          HE22      GLN   9   1.248  -6.430  -5.359
   72    H    LEU  10           HN       LEU  10   0.497  -0.323  -5.633
   73    HA   LEU  10           HA       LEU  10   2.936  -0.838  -6.706
   74   1HB   LEU  10          HB2       LEU  10   0.894   0.733  -7.354
   75   2HB   LEU  10          HB1       LEU  10   1.955   1.952  -6.707
   76    HG   LEU  10           HG       LEU  10   3.005   0.073  -8.780
   77   1HD1  LEU  10          HD11      LEU  10   2.294   1.812 -10.479
   78   2HD1  LEU  10          HD12      LEU  10   1.173   2.408  -9.254
   79   3HD1  LEU  10          HD13      LEU  10   1.025   0.757  -9.857
   80   1HD2  LEU  10          HD21      LEU  10   4.437   1.929  -9.318
   81   2HD2  LEU  10          HD22      LEU  10   4.489   1.653  -7.577
   82   3HD2  LEU  10          HD23      LEU  10   3.540   2.988  -8.230
   83    H    SER  11           HN       SER  11   2.018   1.765  -4.533
   84    HA   SER  11           HA       SER  11   4.519   2.923  -4.111
   85   1HB   SER  11          HB2       SER  11   2.053   3.495  -3.213
   86   2HB   SER  11          HB1       SER  11   2.708   2.746  -1.757
   87    HG   SER  11           HG       SER  11   4.530   4.243  -2.062
   88    H    CYS  12           HN       CYS  12   3.121   0.047  -2.772
   89    HA   CYS  12           HA       CYS  12   5.095  -0.366  -0.730
   90   1HB   CYS  12          HB2       CYS  12   2.565  -1.283  -1.310
   91   2HB   CYS  12          HB1       CYS  12   3.552  -2.647  -1.764
   92    H    ARG  13           HN       ARG  13   4.469  -1.472  -4.006
   93    HA   ARG  13           HA       ARG  13   6.621  -3.356  -4.072
   94   1HB   ARG  13          HB2       ARG  13   4.559  -3.302  -5.588
   95   2HB   ARG  13          HB1       ARG  13   5.376  -2.021  -6.473
   96   1HG   ARG  13          HG2       ARG  13   6.885  -3.431  -7.402
   97   2HG   ARG  13          HG1       ARG  13   6.903  -4.510  -6.006
   98   1HD   ARG  13          HD2       ARG  13   4.955  -5.606  -6.678
   99   2HD   ARG  13          HD1       ARG  13   4.488  -4.301  -7.768
  100    HE   ARG  13           HE       ARG  13   6.250  -6.497  -8.344
  101   1HH1  ARG  13          HH11      ARG  13   5.369  -3.234  -9.213
  102   2HH1  ARG  13          HH12      ARG  13   5.988  -3.364 -10.825
  103   1HH2  ARG  13          HH21      ARG  13   7.065  -6.669 -10.463
  104   2HH2  ARG  13          HH22      ARG  13   6.950  -5.313 -11.535
  105    H    LYS  14           HN       LYS  14   6.211   0.012  -4.896
  106    HA   LYS  14           HA       LYS  14   8.802   0.317  -6.100
  107   1HB   LYS  14          HB2       LYS  14   6.415   1.899  -5.735
  108   2HB   LYS  14          HB1       LYS  14   7.835   2.832  -5.294
  109   1HG   LYS  14          HG2       LYS  14   8.820   2.409  -7.473
  110   2HG   LYS  14          HG1       LYS  14   7.438   1.407  -7.918
  111   1HD   LYS  14          HD2       LYS  14   5.986   3.242  -7.992
  112   2HD   LYS  14          HD1       LYS  14   7.090   4.265  -7.070
  113   1HE   LYS  14          HE2       LYS  14   7.745   3.196  -9.806
  114   2HE   LYS  14          HE1       LYS  14   6.929   4.739  -9.552
  115   1HZ   LYS  14          HZ1       LYS  14   9.427   4.800  -9.811
  116   2HZ   LYS  14          HZ2       LYS  14   9.521   4.103  -8.273
  117   3HZ   LYS  14          HZ3       LYS  14   8.795   5.618  -8.471
  118    H    SER  15           HN       SER  15   7.286   1.258  -3.041
  119    HA   SER  15           HA       SER  15   9.430   2.572  -1.873
  120   1HB   SER  15          HB2       SER  15   7.317   2.718  -0.789
  121   2HB   SER  15          HB1       SER  15   7.186   0.964  -0.651
  122    HG   SER  15           HG       SER  15   9.176   2.523   0.637
  123    H    LEU  16           HN       LEU  16   8.448  -0.798  -1.179
  124    HA   LEU  16           HA       LEU  16  11.161  -1.728  -1.382
  125   1HB   LEU  16          HB2       LEU  16  10.143  -0.794   1.179
  126   2HB   LEU  16          HB1       LEU  16  10.748  -2.439   1.252
  127    HG   LEU  16           HG       LEU  16  12.502  -0.472  -0.095
  128   1HD1  LEU  16          HD11      LEU  16  13.335  -0.040   2.402
  129   2HD1  LEU  16          HD12      LEU  16  11.605  -0.194   2.709
  130   3HD1  LEU  16          HD13      LEU  16  12.195   1.023   1.577
  131   1HD2  LEU  16          HD21      LEU  16  13.038  -2.885   0.277
  132   2HD2  LEU  16          HD22      LEU  16  13.073  -2.551   2.008
  133   3HD2  LEU  16          HD23      LEU  16  14.227  -1.760   0.934
  134    H    GLY  17           HN       GLY  17  11.212  -3.965   0.069
  135   1HA   GLY  17          HA2       GLY  17   9.326  -5.698  -1.279
  136   2HA   GLY  17          HA1       GLY  17  10.582  -6.189  -0.144
  137    H    CYS  18           HN       CYS  18   7.718  -4.133  -0.107
  138    HA   CYS  18           HA       CYS  18   6.841  -5.825   2.083
  139   1HB   CYS  18          HB2       CYS  18   5.789  -3.101   1.553
  140   2HB   CYS  18          HB1       CYS  18   5.357  -4.296   2.780
  141    H    LEU  19           HN       LEU  19   6.032  -7.164   1.151
  142    HA   LEU  19           HA       LEU  19   4.445  -7.301  -1.137
  143   1HB   LEU  19          HB2       LEU  19   5.494  -9.080   0.774
  144   2HB   LEU  19          HB1       LEU  19   3.778  -9.400   0.696
  145    HG   LEU  19           HG       LEU  19   5.725  -9.473  -1.599
  146   1HD1  LEU  19          HD11      LEU  19   5.848 -11.390  -0.075
  147   2HD1  LEU  19          HD12      LEU  19   5.219 -11.848  -1.658
  148   3HD1  LEU  19          HD13      LEU  19   4.119 -11.665  -0.292
  149   1HD2  LEU  19          HD21      LEU  19   3.779  -8.713  -2.608
  150   2HD2  LEU  19          HD22      LEU  19   2.736  -9.620  -1.512
  151   3HD2  LEU  19          HD23      LEU  19   3.643 -10.464  -2.767
  152    H    LEU  20           HN       LEU  20   3.611  -6.195   2.003
  153    HA   LEU  20           HA       LEU  20   0.811  -6.003   1.181
  154   1HB   LEU  20          HB2       LEU  20  -0.089  -6.987   3.103
  155   2HB   LEU  20          HB1       LEU  20   1.156  -8.093   2.557
  156    HG   LEU  20           HG       LEU  20   2.473  -6.440   4.366
  157   1HD1  LEU  20          HD11      LEU  20   0.787  -7.048   6.357
  158   2HD1  LEU  20          HD12      LEU  20  -0.379  -6.730   5.073
  159   3HD1  LEU  20          HD13      LEU  20   0.788  -5.489   5.532
  160   1HD2  LEU  20          HD21      LEU  20   1.257  -9.173   4.746
  161   2HD2  LEU  20          HD22      LEU  20   2.487  -8.455   5.787
  162   3HD2  LEU  20          HD23      LEU  20   2.858  -8.812   4.100
  163    H    GLY  21           HN       GLY  21  -0.443  -4.574   2.492
  164   1HA   GLY  21          HA2       GLY  21   0.646  -2.896   4.361
  165   2HA   GLY  21          HA1       GLY  21   0.600  -2.070   2.832
  166    H    LYS  22           HN       LYS  22  -0.790  -0.579   3.691
  167    HA   LYS  22           HA       LYS  22  -3.573  -1.291   3.429
  168   1HB   LYS  22          HB2       LYS  22  -2.423  -0.578   6.116
  169   2HB   LYS  22          HB1       LYS  22  -4.116  -0.294   5.733
  170   1HG   LYS  22          HG2       LYS  22  -4.225  -2.761   5.118
  171   2HG   LYS  22          HG1       LYS  22  -2.658  -2.908   5.918
  172   1HD   LYS  22          HD2       LYS  22  -3.861  -3.257   7.779
  173   2HD   LYS  22          HD1       LYS  22  -4.108  -1.510   7.764
  174   1HE   LYS  22          HE2       LYS  22  -5.960  -3.069   6.089
  175   2HE   LYS  22          HE1       LYS  22  -6.107  -3.332   7.826
  176   1HZ   LYS  22          HZ1       LYS  22  -6.724  -0.973   6.250
  177   2HZ   LYS  22          HZ2       LYS  22  -5.984  -0.680   7.742
  178   3HZ   LYS  22          HZ3       LYS  22  -7.437  -1.542   7.675
  179    H    CYS  23           HN       CYS  23  -4.910   0.423   3.072
  180    HA   CYS  23           HA       CYS  23  -3.582   3.031   2.761
  181   1HB   CYS  23          HB2       CYS  23  -4.440   1.998   0.681
  182   2HB   CYS  23          HB1       CYS  23  -6.057   1.979   1.375
  183    H    ILE  24           HN       ILE  24  -4.749   4.944   3.287
  184    HA   ILE  24           HA       ILE  24  -7.102   4.639   5.030
  185    HB   ILE  24           HB       ILE  24  -5.082   6.617   5.870
  186   1HG1  ILE  24          HG12      ILE  24  -3.721   4.565   5.496
  187   2HG1  ILE  24          HG11      ILE  24  -3.815   5.014   7.196
  188   1HG2  ILE  24          HG21      ILE  24  -6.818   6.741   7.302
  189   2HG2  ILE  24          HG22      ILE  24  -5.974   5.415   8.102
  190   3HG2  ILE  24          HG23      ILE  24  -7.317   5.075   7.010
  191   1HD1  ILE  24          HD11      ILE  24  -5.951   3.239   6.646
  192   2HD1  ILE  24          HD12      ILE  24  -4.544   2.989   7.680
  193   3HD1  ILE  24          HD13      ILE  24  -4.473   2.550   5.974
  194    H    GLY  25           HN       GLY  25  -7.857   6.670   5.598
  195   1HA   GLY  25          HA2       GLY  25  -9.392   8.080   4.204
  196   2HA   GLY  25          HA1       GLY  25  -8.160   8.934   5.137
  197    H    ASP  26           HN       ASP  26  -6.249   9.077   4.361
  198    HA   ASP  26           HA       ASP  26  -6.004   9.541   1.482
  199   1HB   ASP  26          HB2       ASP  26  -6.606  11.671   3.031
  200   2HB   ASP  26          HB1       ASP  26  -4.852  11.673   3.194
  201    H    LYS  27           HN       LYS  27  -4.997   7.883   3.914
  202    HA   LYS  27           HA       LYS  27  -2.140   8.282   3.480
  203   1HB   LYS  27          HB2       LYS  27  -3.326   8.234   5.773
  204   2HB   LYS  27          HB1       LYS  27  -3.362   6.521   5.455
  205   1HG   LYS  27          HG2       LYS  27  -1.147   6.243   5.807
  206   2HG   LYS  27          HG1       LYS  27  -0.751   7.829   5.141
  207   1HD   LYS  27          HD2       LYS  27  -1.637   8.874   7.199
  208   2HD   LYS  27          HD1       LYS  27  -1.924   7.264   7.864
  209   1HE   LYS  27          HE2       LYS  27   0.798   7.840   6.849
  210   2HE   LYS  27          HE1       LYS  27   0.309   8.656   8.334
  211   1HZ   LYS  27          HZ1       LYS  27   0.277   6.731   9.488
  212   2HZ   LYS  27          HZ2       LYS  27   1.392   6.249   8.312
  213   3HZ   LYS  27          HZ3       LYS  27  -0.232   5.798   8.172
  214    H    CYS  28           HN       CYS  28  -0.928   6.420   3.675
  215    HA   CYS  28           HA       CYS  28  -1.818   3.852   2.861
  216   1HB   CYS  28          HB2       CYS  28  -2.129   5.102   0.718
  217   2HB   CYS  28          HB1       CYS  28  -0.401   5.437   0.709
  218    H    LYS  29           HN       LYS  29  -0.312   2.376   3.430
  219    HA   LYS  29           HA       LYS  29   2.478   2.792   3.155
  220   1HB   LYS  29          HB2       LYS  29   1.598   4.209   5.247
  221   2HB   LYS  29          HB1       LYS  29   1.804   2.656   6.045
  222   1HG   LYS  29          HG2       LYS  29   3.802   3.918   6.340
  223   2HG   LYS  29          HG1       LYS  29   4.146   2.608   5.208
  224   1HD   LYS  29          HD2       LYS  29   5.072   4.262   3.984
  225   2HD   LYS  29          HD1       LYS  29   3.403   4.556   3.491
  226   1HE   LYS  29          HE2       LYS  29   3.481   6.005   5.754
  227   2HE   LYS  29          HE1       LYS  29   5.169   6.126   5.261
  228   1HZ   LYS  29          HZ1       LYS  29   4.365   7.848   4.077
  229   2HZ   LYS  29          HZ2       LYS  29   2.789   7.238   4.016
  230   3HZ   LYS  29          HZ3       LYS  29   3.966   6.642   2.958
  231    H    CYS  30           HN       CYS  30   3.650   0.959   3.499
  232    HA   CYS  30           HA       CYS  30   2.244  -1.491   3.480
  233   1HB   CYS  30          HB2       CYS  30   5.195  -1.047   3.942
  234   2HB   CYS  30          HB1       CYS  30   4.428  -2.530   3.383
  235    H    TYR  31           HN       TYR  31   2.953  -3.331   5.097
  236    HA   TYR  31           HA       TYR  31   3.551  -2.598   7.667
  237   1HB   TYR  31          HB2       TYR  31   0.817  -2.833   6.714
  238   2HB   TYR  31          HB1       TYR  31   1.126  -3.603   8.273
  239    HD1  TYR  31           HD2      TYR  31   2.906  -1.819   9.645
  240    HD2  TYR  31           HD1      TYR  31  -0.334  -0.856   7.061
  241    HE1  TYR  31           HE2      TYR  31   2.669   0.359  10.763
  242    HE2  TYR  31           HE1      TYR  31  -0.580   1.324   8.171
  243    HH   TYR  31           HH       TYR  31   1.670   2.730   9.981
  244    H    GLY  32           HN       GLY  32   3.704  -4.435   9.107
  245   1HA   GLY  32          HA2       GLY  32   4.031  -6.653   9.607
  246   2HA   GLY  32          HA1       GLY  32   2.986  -7.044   8.252
  247    H    CYS  33           HN       CYS  33   4.670  -5.652   6.262
  248    HA   CYS  33           HA       CYS  33   6.209  -7.743   5.366
  249   1HB   CYS  33          HB2       CYS  33   7.355  -6.155   3.935
  250   2HB   CYS  33          HB1       CYS  33   5.649  -5.737   4.041
  Start of MODEL    5
    1   1H    ALA   1          HT1       ALA   1 -13.367   1.003  -3.451
    2   2H    ALA   1          HT2       ALA   1 -13.898   1.440  -1.878
    3   3H    ALA   1          HT3       ALA   1 -14.766   0.270  -2.785
    4    HA   ALA   1           HA       ALA   1 -13.484  -0.779  -1.114
    5   1HB   ALA   1          HB1       ALA   1 -12.471  -1.171  -3.924
    6   2HB   ALA   1          HB2       ALA   1 -13.805  -2.016  -3.138
    7   3HB   ALA   1          HB3       ALA   1 -12.149  -2.278  -2.589
    8    H    PHE   2           HN       PHE   2 -12.339   0.772   0.152
    9    HA   PHE   2           HA       PHE   2 -10.461   1.654   1.083
   10   1HB   PHE   2          HB2       PHE   2  -9.607  -0.740  -0.254
   11   2HB   PHE   2          HB1       PHE   2  -8.344   0.478  -0.384
   12    HD1  PHE   2           HD2      PHE   2  -8.696   1.905   2.186
   13    HD2  PHE   2           HD1      PHE   2  -8.754  -2.254   1.285
   14    HE1  PHE   2           HE2      PHE   2  -7.972   1.402   4.483
   15    HE2  PHE   2           HE1      PHE   2  -8.030  -2.765   3.580
   16    HZ   PHE   2           HZ       PHE   2  -7.637  -0.936   5.182
   17    H    CYS   3           HN       CYS   3  -8.937   3.297   0.763
   18    HA   CYS   3           HA       CYS   3  -9.391   4.935  -1.497
   19   1HB   CYS   3          HB2       CYS   3  -7.250   6.141  -0.535
   20   2HB   CYS   3          HB1       CYS   3  -8.785   6.222   0.317
   21    H    ASN   4           HN       ASN   4  -8.934   3.464  -3.209
   22    HA   ASN   4           HA       ASN   4  -7.643   2.448  -4.802
   23   1HB   ASN   4          HB2       ASN   4  -7.022   5.139  -4.633
   24   2HB   ASN   4          HB1       ASN   4  -5.441   4.364  -4.633
   25   1HD2  ASN   4          HD21      ASN   4  -6.176   5.981  -6.691
   26   2HD2  ASN   4          HD22      ASN   4  -6.428   5.042  -8.119
   27    H    LEU   5           HN       LEU   5  -7.154   0.619  -3.491
   28    HA   LEU   5           HA       LEU   5  -4.737   0.530  -1.949
   29   1HB   LEU   5          HB2       LEU   5  -7.026  -0.934  -1.957
   30   2HB   LEU   5          HB1       LEU   5  -5.944  -2.014  -2.815
   31    HG   LEU   5           HG       LEU   5  -5.602  -0.931  -0.024
   32   1HD1  LEU   5          HD11      LEU   5  -7.016  -2.727   0.182
   33   2HD1  LEU   5          HD12      LEU   5  -5.445  -3.517   0.317
   34   3HD1  LEU   5          HD13      LEU   5  -6.329  -3.567  -1.208
   35   1HD2  LEU   5          HD21      LEU   5  -3.417  -0.925  -0.871
   36   2HD2  LEU   5          HD22      LEU   5  -3.683  -2.396  -1.808
   37   3HD2  LEU   5          HD23      LEU   5  -3.570  -2.478  -0.050
   38    H    ARG   6           HN       ARG   6  -5.753  -0.915  -5.046
   39    HA   ARG   6           HA       ARG   6  -3.578  -2.362  -5.739
   40   1HB   ARG   6          HB2       ARG   6  -5.493  -0.708  -7.302
   41   2HB   ARG   6          HB1       ARG   6  -4.053  -1.276  -8.136
   42   1HG   ARG   6          HG2       ARG   6  -5.957  -2.779  -8.447
   43   2HG   ARG   6          HG1       ARG   6  -4.617  -3.572  -7.615
   44   1HD   ARG   6          HD2       ARG   6  -5.724  -3.582  -5.576
   45   2HD   ARG   6          HD1       ARG   6  -6.815  -2.281  -6.049
   46    HE   ARG   6           HE       ARG   6  -8.242  -3.857  -6.866
   47   1HH1  ARG   6          HH11      ARG   6  -5.059  -5.271  -6.658
   48   2HH1  ARG   6          HH12      ARG   6  -5.596  -6.853  -7.113
   49   1HH2  ARG   6          HH21      ARG   6  -8.950  -5.937  -7.465
   50   2HH2  ARG   6          HH22      ARG   6  -7.804  -7.232  -7.572
   51    H    MET   7           HN       MET   7  -3.962   1.047  -6.656
   52    HA   MET   7           HA       MET   7  -1.365   1.471  -7.547
   53   1HB   MET   7          HB2       MET   7  -1.772   3.838  -7.251
   54   2HB   MET   7          HB1       MET   7  -3.237   3.072  -7.847
   55   1HG   MET   7          HG2       MET   7  -4.118   4.397  -6.229
   56   2HG   MET   7          HG1       MET   7  -3.815   2.938  -5.288
   57   1HE   MET   7          HE1       MET   7  -2.526   6.977  -5.331
   58   2HE   MET   7          HE2       MET   7  -3.239   6.660  -3.749
   59   3HE   MET   7          HE3       MET   7  -4.095   6.181  -5.215
   60    H    CYS   8           HN       CYS   8  -2.690   1.649  -4.274
   61    HA   CYS   8           HA       CYS   8  -0.484   2.742  -2.965
   62   1HB   CYS   8          HB2       CYS   8  -2.863   1.214  -2.207
   63   2HB   CYS   8          HB1       CYS   8  -1.490   0.922  -1.147
   64    H    GLN   9           HN       GLN   9  -1.256  -0.602  -3.801
   65    HA   GLN   9           HA       GLN   9   0.780  -1.984  -2.562
   66   1HB   GLN   9          HB2       GLN   9  -0.978  -2.396  -4.792
   67   2HB   GLN   9          HB1       GLN   9   0.614  -3.012  -5.191
   68   1HG   GLN   9          HG2       GLN   9  -0.563  -4.818  -4.260
   69   2HG   GLN   9          HG1       GLN   9   0.541  -4.265  -3.001
   70   1HE2  GLN   9          HE21      GLN   9  -0.264  -3.435  -1.130
   71   2HE2  GLN   9          HE22      GLN   9  -1.946  -3.420  -0.734
   72    H    LEU  10           HN       LEU  10   0.862  -0.140  -5.542
   73    HA   LEU  10           HA       LEU  10   3.327  -0.706  -6.522
   74   1HB   LEU  10          HB2       LEU  10   1.363   0.962  -7.182
   75   2HB   LEU  10          HB1       LEU  10   2.450   2.116  -6.469
   76    HG   LEU  10           HG       LEU  10   2.788   2.074  -8.861
   77   1HD1  LEU  10          HD11      LEU  10   4.745   2.283  -7.260
   78   2HD1  LEU  10          HD12      LEU  10   5.126   1.836  -8.923
   79   3HD1  LEU  10          HD13      LEU  10   5.116   0.606  -7.659
   80   1HD2  LEU  10          HD21      LEU  10   3.565  -0.822  -8.631
   81   2HD2  LEU  10          HD22      LEU  10   3.343   0.136 -10.095
   82   3HD2  LEU  10          HD23      LEU  10   1.949  -0.297  -9.105
   83    H    SER  11           HN       SER  11   2.407   1.827  -4.273
   84    HA   SER  11           HA       SER  11   4.832   3.005  -3.724
   85   1HB   SER  11          HB2       SER  11   2.652   3.758  -2.792
   86   2HB   SER  11          HB1       SER  11   2.687   2.397  -1.672
   87    HG   SER  11           HG       SER  11   4.609   3.269  -0.796
   88    H    CYS  12           HN       CYS  12   3.565  -0.030  -2.522
   89    HA   CYS  12           HA       CYS  12   5.676  -0.497  -0.647
   90   1HB   CYS  12          HB2       CYS  12   3.215  -1.552  -1.042
   91   2HB   CYS  12          HB1       CYS  12   4.197  -2.776  -1.814
   92    H    ARG  13           HN       ARG  13   4.875  -1.524  -3.904
   93    HA   ARG  13           HA       ARG  13   7.016  -3.285  -4.334
   94   1HB   ARG  13          HB2       ARG  13   4.944  -2.980  -5.768
   95   2HB   ARG  13          HB1       ARG  13   5.735  -1.570  -6.459
   96   1HG   ARG  13          HG2       ARG  13   7.680  -3.371  -6.813
   97   2HG   ARG  13          HG1       ARG  13   6.278  -4.441  -6.865
   98   1HD   ARG  13          HD2       ARG  13   6.598  -1.948  -8.530
   99   2HD   ARG  13          HD1       ARG  13   6.957  -3.580  -9.092
  100    HE   ARG  13           HE       ARG  13   4.346  -3.575  -8.126
  101   1HH1  ARG  13          HH11      ARG  13   6.176  -2.125 -10.719
  102   2HH1  ARG  13          HH12      ARG  13   4.816  -2.020 -11.787
  103   1HH2  ARG  13          HH21      ARG  13   2.557  -3.438  -9.529
  104   2HH2  ARG  13          HH22      ARG  13   2.762  -2.765 -11.111
  105    H    LYS  14           HN       LYS  14   6.695   0.169  -5.102
  106    HA   LYS  14           HA       LYS  14   9.339   0.412  -6.131
  107   1HB   LYS  14          HB2       LYS  14   7.049   2.170  -5.644
  108   2HB   LYS  14          HB1       LYS  14   8.598   2.962  -5.390
  109   1HG   LYS  14          HG2       LYS  14   9.300   2.346  -7.635
  110   2HG   LYS  14          HG1       LYS  14   7.770   1.506  -7.893
  111   1HD   LYS  14          HD2       LYS  14   6.547   3.496  -7.919
  112   2HD   LYS  14          HD1       LYS  14   7.835   4.405  -7.127
  113   1HE   LYS  14          HE2       LYS  14   9.108   3.593  -9.366
  114   2HE   LYS  14          HE1       LYS  14   7.458   3.730  -9.970
  115   1HZ   LYS  14          HZ1       LYS  14   9.132   5.771  -9.890
  116   2HZ   LYS  14          HZ2       LYS  14   8.442   5.944  -8.355
  117   3HZ   LYS  14          HZ3       LYS  14   7.458   5.961  -9.730
  118    H    SER  15           HN       SER  15   7.840   1.545  -3.096
  119    HA   SER  15           HA       SER  15  10.108   2.581  -1.894
  120   1HB   SER  15          HB2       SER  15   7.874   2.899  -0.961
  121   2HB   SER  15          HB1       SER  15   7.774   1.183  -0.567
  122    HG   SER  15           HG       SER  15   8.400   2.321   1.261
  123    H    LEU  16           HN       LEU  16   8.835  -0.741  -1.613
  124    HA   LEU  16           HA       LEU  16  11.557  -1.637  -1.002
  125   1HB   LEU  16          HB2       LEU  16   9.137  -1.962   0.704
  126   2HB   LEU  16          HB1       LEU  16  10.285  -3.285   0.638
  127    HG   LEU  16           HG       LEU  16  12.019  -1.353   1.166
  128   1HD1  LEU  16          HD11      LEU  16  10.650   0.035   2.986
  129   2HD1  LEU  16          HD12      LEU  16   9.370  -0.199   1.795
  130   3HD1  LEU  16          HD13      LEU  16  10.875   0.594   1.328
  131   1HD2  LEU  16          HD21      LEU  16  12.173  -2.295   3.212
  132   2HD2  LEU  16          HD22      LEU  16  11.015  -3.437   2.532
  133   3HD2  LEU  16          HD23      LEU  16  10.452  -2.110   3.547
  134    H    GLY  17           HN       GLY  17   8.465  -3.377  -0.884
  135   1HA   GLY  17          HA2       GLY  17   7.991  -4.494  -3.206
  136   2HA   GLY  17          HA1       GLY  17   9.531  -5.269  -2.862
  137    H    CYS  18           HN       CYS  18   8.248  -5.011   0.117
  138    HA   CYS  18           HA       CYS  18   7.145  -7.637  -0.266
  139   1HB   CYS  18          HB2       CYS  18   7.106  -6.122   2.299
  140   2HB   CYS  18          HB1       CYS  18   6.614  -7.782   1.922
  141    H    LEU  19           HN       LEU  19   5.582  -7.541  -1.272
  142    HA   LEU  19           HA       LEU  19   3.474  -5.800  -1.526
  143   1HB   LEU  19          HB2       LEU  19   4.168  -8.342  -2.470
  144   2HB   LEU  19          HB1       LEU  19   2.572  -8.525  -1.783
  145    HG   LEU  19           HG       LEU  19   3.298  -6.447  -3.836
  146   1HD1  LEU  19          HD11      LEU  19   3.401  -8.970  -4.477
  147   2HD1  LEU  19          HD12      LEU  19   2.559  -7.828  -5.525
  148   3HD1  LEU  19          HD13      LEU  19   1.641  -8.858  -4.427
  149   1HD2  LEU  19          HD21      LEU  19   1.361  -5.955  -2.349
  150   2HD2  LEU  19          HD22      LEU  19   0.591  -7.426  -2.945
  151   3HD2  LEU  19          HD23      LEU  19   0.939  -6.100  -4.055
  152    H    LEU  20           HN       LEU  20   2.896  -5.031   0.558
  153    HA   LEU  20           HA       LEU  20   0.656  -6.238   1.714
  154   1HB   LEU  20          HB2       LEU  20   1.850  -7.894   2.774
  155   2HB   LEU  20          HB1       LEU  20   3.287  -6.905   2.939
  156    HG   LEU  20           HG       LEU  20   2.203  -5.648   4.759
  157   1HD1  LEU  20          HD11      LEU  20   0.124  -7.153   5.637
  158   2HD1  LEU  20          HD12      LEU  20  -0.106  -7.236   3.890
  159   3HD1  LEU  20          HD13      LEU  20  -0.040  -5.670   4.697
  160   1HD2  LEU  20          HD21      LEU  20   3.479  -7.224   5.757
  161   2HD2  LEU  20          HD22      LEU  20   2.744  -8.549   4.853
  162   3HD2  LEU  20          HD23      LEU  20   1.909  -7.861   6.246
  163    H    GLY  21           HN       GLY  21  -0.447  -4.711   2.840
  164   1HA   GLY  21          HA2       GLY  21   0.515  -2.841   4.558
  165   2HA   GLY  21          HA1       GLY  21   0.569  -2.067   2.992
  166    H    LYS  22           HN       LYS  22  -0.873  -0.554   3.710
  167    HA   LYS  22           HA       LYS  22  -3.598  -1.156   3.138
  168   1HB   LYS  22          HB2       LYS  22  -2.746  -0.983   5.988
  169   2HB   LYS  22          HB1       LYS  22  -4.278  -0.248   5.538
  170   1HG   LYS  22          HG2       LYS  22  -4.648  -2.599   4.382
  171   2HG   LYS  22          HG1       LYS  22  -3.489  -3.104   5.613
  172   1HD   LYS  22          HD2       LYS  22  -5.170  -1.571   7.087
  173   2HD   LYS  22          HD1       LYS  22  -6.285  -2.228   5.887
  174   1HE   LYS  22          HE2       LYS  22  -6.037  -4.370   6.628
  175   2HE   LYS  22          HE1       LYS  22  -4.380  -4.107   7.167
  176   1HZ   LYS  22          HZ1       LYS  22  -6.725  -2.937   8.549
  177   2HZ   LYS  22          HZ2       LYS  22  -5.134  -3.036   9.113
  178   3HZ   LYS  22          HZ3       LYS  22  -6.067  -4.439   8.968
  179    H    CYS  23           HN       CYS  23  -4.854   0.635   2.864
  180    HA   CYS  23           HA       CYS  23  -3.393   3.181   2.854
  181   1HB   CYS  23          HB2       CYS  23  -4.257   2.454   0.684
  182   2HB   CYS  23          HB1       CYS  23  -5.881   2.338   1.351
  183    H    ILE  24           HN       ILE  24  -4.443   5.114   3.533
  184    HA   ILE  24           HA       ILE  24  -6.844   4.818   5.192
  185    HB   ILE  24           HB       ILE  24  -4.172   5.202   6.221
  186   1HG1  ILE  24          HG12      ILE  24  -6.716   5.114   7.807
  187   2HG1  ILE  24          HG11      ILE  24  -6.128   3.690   6.953
  188   1HG2  ILE  24          HG21      ILE  24  -6.147   7.250   7.200
  189   2HG2  ILE  24          HG22      ILE  24  -4.864   7.623   6.053
  190   3HG2  ILE  24          HG23      ILE  24  -4.460   7.054   7.668
  191   1HD1  ILE  24          HD11      ILE  24  -4.014   3.857   8.209
  192   2HD1  ILE  24          HD12      ILE  24  -5.420   3.615   9.245
  193   3HD1  ILE  24          HD13      ILE  24  -4.689   5.214   9.110
  194    H    GLY  25           HN       GLY  25  -7.492   6.825   5.938
  195   1HA   GLY  25          HA2       GLY  25  -8.881   8.463   4.664
  196   2HA   GLY  25          HA1       GLY  25  -7.626   9.140   5.702
  197    H    ASP  26           HN       ASP  26  -5.690   9.225   4.982
  198    HA   ASP  26           HA       ASP  26  -5.363  10.009   2.172
  199   1HB   ASP  26          HB2       ASP  26  -4.481  11.765   4.474
  200   2HB   ASP  26          HB1       ASP  26  -4.256  12.105   2.760
  201    H    LYS  27           HN       LYS  27  -4.527   8.000   4.393
  202    HA   LYS  27           HA       LYS  27  -1.639   8.205   4.050
  203   1HB   LYS  27          HB2       LYS  27  -2.897   7.910   6.288
  204   2HB   LYS  27          HB1       LYS  27  -3.053   6.272   5.713
  205   1HG   LYS  27          HG2       LYS  27  -0.864   5.777   6.031
  206   2HG   LYS  27          HG1       LYS  27  -0.345   7.425   5.673
  207   1HD   LYS  27          HD2       LYS  27   0.045   6.917   8.013
  208   2HD   LYS  27          HD1       LYS  27  -1.210   8.149   7.862
  209   1HE   LYS  27          HE2       LYS  27  -2.309   6.819   9.315
  210   2HE   LYS  27          HE1       LYS  27  -2.731   5.930   7.852
  211   1HZ   LYS  27          HZ1       LYS  27  -0.245   5.243   9.250
  212   2HZ   LYS  27          HZ2       LYS  27  -1.271   4.259   8.335
  213   3HZ   LYS  27          HZ3       LYS  27  -1.713   4.712   9.903
  214    H    CYS  28           HN       CYS  28  -0.580   6.243   3.983
  215    HA   CYS  28           HA       CYS  28  -1.584   3.871   2.852
  216   1HB   CYS  28          HB2       CYS  28  -2.009   5.248   0.876
  217   2HB   CYS  28          HB1       CYS  28  -0.330   5.778   0.865
  218    H    LYS  29           HN       LYS  29  -0.137   2.338   3.366
  219    HA   LYS  29           HA       LYS  29   2.630   2.529   2.828
  220   1HB   LYS  29          HB2       LYS  29   1.734   3.646   5.373
  221   2HB   LYS  29          HB1       LYS  29   2.944   2.386   5.572
  222   1HG   LYS  29          HG2       LYS  29   3.544   4.370   3.491
  223   2HG   LYS  29          HG1       LYS  29   3.502   4.993   5.142
  224   1HD   LYS  29          HD2       LYS  29   4.945   2.452   4.794
  225   2HD   LYS  29          HD1       LYS  29   5.673   3.847   3.995
  226   1HE   LYS  29          HE2       LYS  29   4.840   3.819   6.890
  227   2HE   LYS  29          HE1       LYS  29   6.468   3.427   6.337
  228   1HZ   LYS  29          HZ1       LYS  29   6.258   5.745   7.037
  229   2HZ   LYS  29          HZ2       LYS  29   5.079   6.008   5.853
  230   3HZ   LYS  29          HZ3       LYS  29   6.663   5.628   5.398
  231    H    CYS  30           HN       CYS  30   3.757   0.684   3.271
  232    HA   CYS  30           HA       CYS  30   2.316  -1.707   3.275
  233   1HB   CYS  30          HB2       CYS  30   5.197  -1.430   4.128
  234   2HB   CYS  30          HB1       CYS  30   4.427  -2.832   3.396
  235    H    TYR  31           HN       TYR  31   2.627  -3.488   4.982
  236    HA   TYR  31           HA       TYR  31   1.980  -2.410   7.438
  237   1HB   TYR  31          HB2       TYR  31   1.083  -4.656   5.995
  238   2HB   TYR  31          HB1       TYR  31   1.726  -5.218   7.534
  239    HD1  TYR  31           HD1      TYR  31  -0.078  -2.055   6.751
  240    HD2  TYR  31           HD2      TYR  31  -0.155  -5.792   8.784
  241    HE1  TYR  31           HE1      TYR  31  -2.175  -1.403   7.858
  242    HE2  TYR  31           HE2      TYR  31  -2.253  -5.151   9.895
  243    HH   TYR  31           HH       TYR  31  -3.326  -2.575  10.456
  244    H    GLY  32           HN       GLY  32   3.514  -5.474   6.813
  245   1HA   GLY  32          HA2       GLY  32   5.863  -4.629   8.357
  246   2HA   GLY  32          HA1       GLY  32   4.993  -6.082   8.837
  247    H    CYS  33           HN       CYS  33   4.973  -5.472   5.478
  248    HA   CYS  33           HA       CYS  33   5.951  -6.533   3.718
  249   1HB   CYS  33          HB2       CYS  33   8.029  -5.602   4.003
  250   2HB   CYS  33          HB1       CYS  33   8.184  -6.187   5.653
  Start of MODEL    6
    1   1H    ALA   1          HT1       ALA   1 -15.587   0.113   2.264
    2   2H    ALA   1          HT2       ALA   1 -14.420   0.025   3.520
    3   3H    ALA   1          HT3       ALA   1 -14.106  -0.711   2.002
    4    HA   ALA   1           HA       ALA   1 -14.414   1.603   1.066
    5   1HB   ALA   1          HB1       ALA   1 -13.820   3.391   2.604
    6   2HB   ALA   1          HB2       ALA   1 -13.757   2.241   3.939
    7   3HB   ALA   1          HB3       ALA   1 -15.290   2.576   3.136
    8    H    PHE   2           HN       PHE   2 -12.480   2.528   0.329
    9    HA   PHE   2           HA       PHE   2  -9.947   1.861   1.475
   10   1HB   PHE   2          HB2       PHE   2 -11.083   0.045  -0.450
   11   2HB   PHE   2          HB1       PHE   2  -9.632   0.786  -1.115
   12    HD1  PHE   2           HD1      PHE   2  -7.970   1.109   1.280
   13    HD2  PHE   2           HD2      PHE   2 -10.469  -2.121   0.082
   14    HE1  PHE   2           HE1      PHE   2  -6.579  -0.445   2.584
   15    HE2  PHE   2           HE2      PHE   2  -9.082  -3.681   1.385
   16    HZ   PHE   2           HZ       PHE   2  -7.134  -2.844   2.639
   17    H    CYS   3           HN       CYS   3  -8.181   2.867   0.394
   18    HA   CYS   3           HA       CYS   3  -9.014   4.968  -1.497
   19   1HB   CYS   3          HB2       CYS   3  -6.781   6.038  -0.432
   20   2HB   CYS   3          HB1       CYS   3  -8.390   6.324   0.217
   21    H    ASN   4           HN       ASN   4  -8.519   3.567  -3.252
   22    HA   ASN   4           HA       ASN   4  -7.208   2.670  -4.884
   23   1HB   ASN   4          HB2       ASN   4  -5.910   5.127  -3.996
   24   2HB   ASN   4          HB1       ASN   4  -4.769   3.987  -4.702
   25   1HD2  ASN   4          HD21      ASN   4  -5.832   6.583  -5.651
   26   2HD2  ASN   4          HD22      ASN   4  -6.464   6.263  -7.226
   27    H    LEU   5           HN       LEU   5  -7.111   0.657  -3.772
   28    HA   LEU   5           HA       LEU   5  -4.935   0.036  -2.022
   29   1HB   LEU   5          HB2       LEU   5  -7.244  -1.075  -2.132
   30   2HB   LEU   5          HB1       LEU   5  -6.614  -1.971  -3.500
   31    HG   LEU   5           HG       LEU   5  -6.515  -3.220  -1.357
   32   1HD1  LEU   5          HD11      LEU   5  -3.752  -2.635  -2.385
   33   2HD1  LEU   5          HD12      LEU   5  -4.935  -3.571  -3.298
   34   3HD1  LEU   5          HD13      LEU   5  -4.377  -4.147  -1.727
   35   1HD2  LEU   5          HD21      LEU   5  -5.990  -1.132  -0.010
   36   2HD2  LEU   5          HD22      LEU   5  -4.325  -1.322  -0.561
   37   3HD2  LEU   5          HD23      LEU   5  -5.085  -2.589   0.403
   38    H    ARG   6           HN       ARG   6  -5.750  -1.392  -5.195
   39    HA   ARG   6           HA       ARG   6  -3.458  -2.717  -5.732
   40   1HB   ARG   6          HB2       ARG   6  -3.874  -2.001  -8.197
   41   2HB   ARG   6          HB1       ARG   6  -5.086  -2.964  -7.366
   42   1HG   ARG   6          HG2       ARG   6  -5.758  -0.291  -6.858
   43   2HG   ARG   6          HG1       ARG   6  -5.324  -0.370  -8.565
   44   1HD   ARG   6          HD2       ARG   6  -7.062  -2.527  -7.521
   45   2HD   ARG   6          HD1       ARG   6  -7.779  -0.921  -7.653
   46    HE   ARG   6           HE       ARG   6  -6.404  -1.687 -10.034
   47   1HH1  ARG   6          HH11      ARG   6  -9.391  -2.075  -8.271
   48   2HH1  ARG   6          HH12      ARG   6 -10.326  -2.424  -9.686
   49   1HH2  ARG   6          HH21      ARG   6  -7.632  -2.146 -11.896
   50   2HH2  ARG   6          HH22      ARG   6  -9.328  -2.465 -11.744
   51    H    MET   7           HN       MET   7  -4.016   0.643  -6.774
   52    HA   MET   7           HA       MET   7  -1.448   1.180  -7.672
   53   1HB   MET   7          HB2       MET   7  -3.400   2.689  -7.973
   54   2HB   MET   7          HB1       MET   7  -3.301   3.120  -6.272
   55   1HG   MET   7          HG2       MET   7  -2.141   4.857  -7.117
   56   2HG   MET   7          HG1       MET   7  -0.809   3.712  -6.972
   57   1HE   MET   7          HE1       MET   7  -3.515   5.112  -9.706
   58   2HE   MET   7          HE2       MET   7  -2.197   5.835 -10.627
   59   3HE   MET   7          HE3       MET   7  -2.386   6.212  -8.915
   60    H    CYS   8           HN       CYS   8  -2.779   1.443  -4.397
   61    HA   CYS   8           HA       CYS   8  -0.548   2.577  -3.156
   62   1HB   CYS   8          HB2       CYS   8  -2.929   1.075  -2.289
   63   2HB   CYS   8          HB1       CYS   8  -1.545   0.925  -1.212
   64    H    GLN   9           HN       GLN   9  -1.366  -0.787  -3.870
   65    HA   GLN   9           HA       GLN   9   0.644  -2.152  -2.569
   66   1HB   GLN   9          HB2       GLN   9  -1.112  -2.623  -4.787
   67   2HB   GLN   9          HB1       GLN   9   0.474  -3.264  -5.167
   68   1HG   GLN   9          HG2       GLN   9  -0.959  -4.949  -4.146
   69   2HG   GLN   9          HG1       GLN   9   0.447  -4.599  -3.141
   70   1HE2  GLN   9          HE21      GLN   9  -1.843  -5.834  -2.167
   71   2HE2  GLN   9          HE22      GLN   9  -2.609  -4.777  -1.036
   72    H    LEU  10           HN       LEU  10   0.747  -0.407  -5.610
   73    HA   LEU  10           HA       LEU  10   3.211  -1.026  -6.563
   74   1HB   LEU  10          HB2       LEU  10   1.263   0.635  -7.284
   75   2HB   LEU  10          HB1       LEU  10   2.357   1.803  -6.605
   76    HG   LEU  10           HG       LEU  10   3.528  -0.093  -8.554
   77   1HD1  LEU  10          HD11      LEU  10   2.669   0.998 -10.477
   78   2HD1  LEU  10          HD12      LEU  10   1.836   2.208  -9.501
   79   3HD1  LEU  10          HD13      LEU  10   1.282   0.534  -9.491
   80   1HD2  LEU  10          HD21      LEU  10   4.905   1.726  -9.100
   81   2HD2  LEU  10          HD22      LEU  10   4.693   1.829  -7.352
   82   3HD2  LEU  10          HD23      LEU  10   3.776   2.896  -8.416
   83    H    SER  11           HN       SER  11   2.304   1.589  -4.401
   84    HA   SER  11           HA       SER  11   4.748   2.753  -3.880
   85   1HB   SER  11          HB2       SER  11   2.701   2.265  -1.711
   86   2HB   SER  11          HB1       SER  11   3.811   3.627  -1.869
   87    HG   SER  11           HG       SER  11   2.523   4.532  -3.298
   88    H    CYS  12           HN       CYS  12   3.458  -0.244  -2.626
   89    HA   CYS  12           HA       CYS  12   5.499  -0.655  -0.675
   90   1HB   CYS  12          HB2       CYS  12   3.078  -1.761  -1.146
   91   2HB   CYS  12          HB1       CYS  12   4.109  -2.974  -1.872
   92    H    ARG  13           HN       ARG  13   4.844  -1.798  -3.941
   93    HA   ARG  13           HA       ARG  13   7.042  -3.494  -4.262
   94   1HB   ARG  13          HB2       ARG  13   5.050  -3.234  -5.809
   95   2HB   ARG  13          HB1       ARG  13   5.839  -1.800  -6.451
   96   1HG   ARG  13          HG2       ARG  13   6.641  -3.267  -7.955
   97   2HG   ARG  13          HG1       ARG  13   7.846  -3.561  -6.699
   98   1HD   ARG  13          HD2       ARG  13   7.035  -5.612  -6.217
   99   2HD   ARG  13          HD1       ARG  13   5.360  -5.125  -6.475
  100    HE   ARG  13           HE       ARG  13   6.899  -5.295  -8.896
  101   1HH1  ARG  13          HH11      ARG  13   4.957  -7.079  -6.611
  102   2HH1  ARG  13          HH12      ARG  13   4.525  -8.311  -7.749
  103   1HH2  ARG  13          HH21      ARG  13   6.333  -6.914 -10.394
  104   2HH2  ARG  13          HH22      ARG  13   5.307  -8.218  -9.897
  105    H    LYS  14           HN       LYS  14   6.701  -0.038  -4.986
  106    HA   LYS  14           HA       LYS  14   9.397   0.261  -5.880
  107   1HB   LYS  14          HB2       LYS  14   7.045   1.965  -5.535
  108   2HB   LYS  14          HB1       LYS  14   8.549   2.788  -5.145
  109   1HG   LYS  14          HG2       LYS  14   8.586   3.235  -7.339
  110   2HG   LYS  14          HG1       LYS  14   9.229   1.597  -7.472
  111   1HD   LYS  14          HD2       LYS  14   6.596   1.057  -7.478
  112   2HD   LYS  14          HD1       LYS  14   6.572   2.665  -8.205
  113   1HE   LYS  14          HE2       LYS  14   8.088   0.244  -9.164
  114   2HE   LYS  14          HE1       LYS  14   6.729   1.037  -9.959
  115   1HZ   LYS  14          HZ1       LYS  14   8.165   3.045 -10.137
  116   2HZ   LYS  14          HZ2       LYS  14   8.712   1.724 -11.040
  117   3HZ   LYS  14          HZ3       LYS  14   9.465   2.118  -9.578
  118    H    SER  15           HN       SER  15   7.683   1.314  -2.932
  119    HA   SER  15           HA       SER  15   9.908   2.326  -1.582
  120   1HB   SER  15          HB2       SER  15   7.569   2.701  -0.869
  121   2HB   SER  15          HB1       SER  15   7.466   1.015  -0.362
  122    HG   SER  15           HG       SER  15   9.258   2.963   0.668
  123    H    LEU  16           HN       LEU  16   8.336  -0.821  -0.928
  124    HA   LEU  16           HA       LEU  16  10.996  -1.869  -0.210
  125   1HB   LEU  16          HB2       LEU  16   8.381  -2.072   1.194
  126   2HB   LEU  16          HB1       LEU  16   9.450  -3.461   1.255
  127    HG   LEU  16           HG       LEU  16   9.814  -2.139   3.219
  128   1HD1  LEU  16          HD11      LEU  16  12.156  -1.372   1.541
  129   2HD1  LEU  16          HD12      LEU  16  11.782  -3.078   1.780
  130   3HD1  LEU  16          HD13      LEU  16  12.108  -2.044   3.171
  131   1HD2  LEU  16          HD21      LEU  16  10.787   0.235   1.750
  132   2HD2  LEU  16          HD22      LEU  16   9.965   0.119   3.306
  133   3HD2  LEU  16          HD23      LEU  16   9.041  -0.004   1.809
  134    H    GLY  17           HN       GLY  17   7.886  -3.561  -0.413
  135   1HA   GLY  17          HA2       GLY  17   7.584  -4.642  -2.768
  136   2HA   GLY  17          HA1       GLY  17   9.109  -5.414  -2.345
  137    H    CYS  18           HN       CYS  18   7.397  -5.124   0.497
  138    HA   CYS  18           HA       CYS  18   6.408  -7.785  -0.065
  139   1HB   CYS  18          HB2       CYS  18   5.972  -6.550   2.578
  140   2HB   CYS  18          HB1       CYS  18   5.947  -8.214   1.995
  141    H    LEU  19           HN       LEU  19   4.901  -7.652  -1.154
  142    HA   LEU  19           HA       LEU  19   2.898  -5.942  -1.558
  143   1HB   LEU  19          HB2       LEU  19   2.288  -8.805  -1.738
  144   2HB   LEU  19          HB1       LEU  19   2.155  -7.541  -2.893
  145    HG   LEU  19           HG       LEU  19   4.648  -9.046  -2.256
  146   1HD1  LEU  19          HD11      LEU  19   4.448  -9.804  -4.582
  147   2HD1  LEU  19          HD12      LEU  19   2.893  -8.980  -4.699
  148   3HD1  LEU  19          HD13      LEU  19   3.094 -10.328  -3.580
  149   1HD2  LEU  19          HD21      LEU  19   4.840  -6.533  -2.849
  150   2HD2  LEU  19          HD22      LEU  19   4.345  -7.040  -4.463
  151   3HD2  LEU  19          HD23      LEU  19   5.819  -7.692  -3.748
  152    H    LEU  20           HN       LEU  20   2.250  -5.170   0.558
  153    HA   LEU  20           HA       LEU  20  -0.170  -6.123   1.471
  154   1HB   LEU  20          HB2       LEU  20   0.576  -7.003   3.749
  155   2HB   LEU  20          HB1       LEU  20   0.728  -8.079   2.374
  156    HG   LEU  20           HG       LEU  20   3.156  -6.535   2.835
  157   1HD1  LEU  20          HD11      LEU  20   3.251  -6.651   5.054
  158   2HD1  LEU  20          HD12      LEU  20   3.422  -8.395   4.861
  159   3HD1  LEU  20          HD13      LEU  20   1.830  -7.691   5.140
  160   1HD2  LEU  20          HD21      LEU  20   3.577  -8.309   1.495
  161   2HD2  LEU  20          HD22      LEU  20   2.314  -9.301   2.225
  162   3HD2  LEU  20          HD23      LEU  20   3.866  -9.109   3.039
  163    H    GLY  21           HN       GLY  21  -1.051  -4.837   3.138
  164   1HA   GLY  21          HA2       GLY  21   0.215  -3.206   4.897
  165   2HA   GLY  21          HA1       GLY  21   0.165  -2.273   3.420
  166    H    LYS  22           HN       LYS  22  -1.086  -0.762   4.434
  167    HA   LYS  22           HA       LYS  22  -3.928  -1.331   4.303
  168   1HB   LYS  22          HB2       LYS  22  -4.250  -0.215   6.594
  169   2HB   LYS  22          HB1       LYS  22  -3.728  -1.892   6.563
  170   1HG   LYS  22          HG2       LYS  22  -1.393  -1.116   6.882
  171   2HG   LYS  22          HG1       LYS  22  -2.010   0.528   7.059
  172   1HD   LYS  22          HD2       LYS  22  -3.229  -1.580   8.754
  173   2HD   LYS  22          HD1       LYS  22  -1.585  -1.074   9.146
  174   1HE   LYS  22          HE2       LYS  22  -2.661   0.493  10.365
  175   2HE   LYS  22          HE1       LYS  22  -2.734   1.330   8.816
  176   1HZ   LYS  22          HZ1       LYS  22  -4.941   0.314   8.473
  177   2HZ   LYS  22          HZ2       LYS  22  -4.891   1.342   9.815
  178   3HZ   LYS  22          HZ3       LYS  22  -4.868  -0.335  10.034
  179    H    CYS  23           HN       CYS  23  -5.186   0.440   3.940
  180    HA   CYS  23           HA       CYS  23  -3.725   2.932   3.381
  181   1HB   CYS  23          HB2       CYS  23  -4.993   1.672   1.534
  182   2HB   CYS  23          HB1       CYS  23  -6.462   2.221   2.332
  183    H    ILE  24           HN       ILE  24  -4.696   4.954   3.904
  184    HA   ILE  24           HA       ILE  24  -6.895   4.910   5.848
  185    HB   ILE  24           HB       ILE  24  -4.115   5.483   6.448
  186   1HG1  ILE  24          HG12      ILE  24  -6.258   5.621   8.491
  187   2HG1  ILE  24          HG11      ILE  24  -6.092   4.109   7.603
  188   1HG2  ILE  24          HG21      ILE  24  -6.063   7.576   7.394
  189   2HG2  ILE  24          HG22      ILE  24  -4.920   7.833   6.078
  190   3HG2  ILE  24          HG23      ILE  24  -4.330   7.493   7.701
  191   1HD1  ILE  24          HD11      ILE  24  -3.500   4.796   8.340
  192   2HD1  ILE  24          HD12      ILE  24  -4.520   3.545   9.052
  193   3HD1  ILE  24          HD13      ILE  24  -4.496   5.165   9.748
  194    H    GLY  25           HN       GLY  25  -7.507   7.003   6.342
  195   1HA   GLY  25          HA2       GLY  25  -9.052   8.430   5.000
  196   2HA   GLY  25          HA1       GLY  25  -7.698   9.259   5.770
  197    H    ASP  26           HN       ASP  26  -5.862   9.228   4.833
  198    HA   ASP  26           HA       ASP  26  -5.837   9.536   1.917
  199   1HB   ASP  26          HB2       ASP  26  -6.311  11.791   2.826
  200   2HB   ASP  26          HB1       ASP  26  -4.854  11.686   3.810
  201    H    LYS  27           HN       LYS  27  -4.727   7.937   4.341
  202    HA   LYS  27           HA       LYS  27  -1.897   8.122   3.656
  203   1HB   LYS  27          HB2       LYS  27  -2.880   8.300   6.039
  204   2HB   LYS  27          HB1       LYS  27  -3.055   6.577   5.843
  205   1HG   LYS  27          HG2       LYS  27  -0.794   6.180   5.875
  206   2HG   LYS  27          HG1       LYS  27  -0.410   7.810   5.316
  207   1HD   LYS  27          HD2       LYS  27  -1.766   7.654   7.925
  208   2HD   LYS  27          HD1       LYS  27  -0.138   6.975   7.877
  209   1HE   LYS  27          HE2       LYS  27   0.485   9.181   6.678
  210   2HE   LYS  27          HE1       LYS  27  -1.034   9.782   7.341
  211   1HZ   LYS  27          HZ1       LYS  27   0.298  10.314   9.061
  212   2HZ   LYS  27          HZ2       LYS  27   1.456   9.137   8.696
  213   3HZ   LYS  27          HZ3       LYS  27   0.039   8.704   9.512
  214    H    CYS  28           HN       CYS  28  -0.799   6.191   3.875
  215    HA   CYS  28           HA       CYS  28  -1.915   3.650   3.358
  216   1HB   CYS  28          HB2       CYS  28  -2.105   5.167   1.125
  217   2HB   CYS  28          HB1       CYS  28  -0.507   4.465   0.889
  218    H    LYS  29           HN       LYS  29  -0.447   2.089   3.738
  219    HA   LYS  29           HA       LYS  29   2.333   2.366   3.171
  220   1HB   LYS  29          HB2       LYS  29   1.347   3.062   5.888
  221   2HB   LYS  29          HB1       LYS  29   2.816   2.102   5.784
  222   1HG   LYS  29          HG2       LYS  29   3.414   4.015   4.007
  223   2HG   LYS  29          HG1       LYS  29   2.335   4.922   5.070
  224   1HD   LYS  29          HD2       LYS  29   4.377   5.270   6.084
  225   2HD   LYS  29          HD1       LYS  29   3.784   3.862   6.967
  226   1HE   LYS  29          HE2       LYS  29   6.040   3.404   6.420
  227   2HE   LYS  29          HE1       LYS  29   5.056   2.439   5.321
  228   1HZ   LYS  29          HZ1       LYS  29   5.342   4.529   3.803
  229   2HZ   LYS  29          HZ2       LYS  29   6.549   3.347   3.877
  230   3HZ   LYS  29          HZ3       LYS  29   6.720   4.784   4.752
  231    H    CYS  30           HN       CYS  30   3.465   0.491   3.424
  232    HA   CYS  30           HA       CYS  30   2.029  -1.905   3.319
  233   1HB   CYS  30          HB2       CYS  30   4.947  -1.639   4.055
  234   2HB   CYS  30          HB1       CYS  30   4.158  -3.025   3.310
  235    H    TYR  31           HN       TYR  31   2.442  -3.794   4.860
  236    HA   TYR  31           HA       TYR  31   1.601  -3.043   7.360
  237   1HB   TYR  31          HB2       TYR  31   1.822  -5.547   5.881
  238   2HB   TYR  31          HB1       TYR  31   2.024  -5.713   7.622
  239    HD1  TYR  31           HD1      TYR  31   0.151  -3.650   8.613
  240    HD2  TYR  31           HD2      TYR  31  -0.281  -6.471   5.458
  241    HE1  TYR  31           HE1      TYR  31  -2.290  -3.591   8.902
  242    HE2  TYR  31           HE2      TYR  31  -2.724  -6.420   5.738
  243    HH   TYR  31           HH       TYR  31  -4.303  -4.070   7.674
  244    H    GLY  32           HN       GLY  32   3.986  -5.549   6.876
  245   1HA   GLY  32          HA2       GLY  32   5.656  -4.282   8.937
  246   2HA   GLY  32          HA1       GLY  32   5.694  -5.986   8.497
  247    H    CYS  33           HN       CYS  33   5.411  -4.096   5.739
  248    HA   CYS  33           HA       CYS  33   8.342  -4.099   5.351
  249   1HB   CYS  33          HB2       CYS  33   6.543  -5.711   4.042
  250   2HB   CYS  33          HB1       CYS  33   6.724  -4.368   2.920
  Start of MODEL    7
    1   1H    ALA   1          HT1       ALA   1 -15.360   0.305  -0.018
    2   2H    ALA   1          HT2       ALA   1 -14.523  -1.057   0.608
    3   3H    ALA   1          HT3       ALA   1 -15.534  -1.226  -0.768
    4    HA   ALA   1           HA       ALA   1 -13.454  -1.202  -1.642
    5   1HB   ALA   1          HB1       ALA   1 -13.490   0.633  -3.045
    6   2HB   ALA   1          HB2       ALA   1 -14.033   1.727  -1.773
    7   3HB   ALA   1          HB3       ALA   1 -15.160   0.568  -2.480
    8    H    PHE   2           HN       PHE   2 -11.475   0.448  -1.996
    9    HA   PHE   2           HA       PHE   2 -10.520   1.323   0.639
   10   1HB   PHE   2          HB2       PHE   2  -9.548  -0.925  -0.858
   11   2HB   PHE   2          HB1       PHE   2  -8.285   0.298  -0.767
   12    HD1  PHE   2           HD1      PHE   2  -8.751   1.470   1.873
   13    HD2  PHE   2           HD2      PHE   2  -8.906  -2.591   0.609
   14    HE1  PHE   2           HE1      PHE   2  -8.206   0.742   4.159
   15    HE2  PHE   2           HE2      PHE   2  -8.363  -3.326   2.893
   16    HZ   PHE   2           HZ       PHE   2  -8.013  -1.659   4.672
   17    H    CYS   3           HN       CYS   3  -8.984   2.985   0.612
   18    HA   CYS   3           HA       CYS   3  -9.277   4.875  -1.455
   19   1HB   CYS   3          HB2       CYS   3  -7.142   5.887  -0.249
   20   2HB   CYS   3          HB1       CYS   3  -8.731   5.948   0.498
   21    H    ASN   4           HN       ASN   4  -8.749   3.654  -3.334
   22    HA   ASN   4           HA       ASN   4  -7.394   2.832  -4.982
   23   1HB   ASN   4          HB2       ASN   4  -6.506   5.436  -4.185
   24   2HB   ASN   4          HB1       ASN   4  -5.105   4.487  -4.672
   25   1HD2  ASN   4          HD21      ASN   4  -6.978   6.713  -5.824
   26   2HD2  ASN   4          HD22      ASN   4  -7.161   6.219  -7.470
   27    H    LEU   5           HN       LEU   5  -7.051   0.830  -3.895
   28    HA   LEU   5           HA       LEU   5  -4.671   0.456  -2.313
   29   1HB   LEU   5          HB2       LEU   5  -7.021  -0.826  -2.352
   30   2HB   LEU   5          HB1       LEU   5  -6.124  -1.872  -3.436
   31    HG   LEU   5           HG       LEU   5  -5.470  -1.236  -0.564
   32   1HD1  LEU   5          HD11      LEU   5  -5.725  -3.998  -1.562
   33   2HD1  LEU   5          HD12      LEU   5  -7.213  -3.053  -1.494
   34   3HD1  LEU   5          HD13      LEU   5  -6.248  -3.286  -0.036
   35   1HD2  LEU   5          HD21      LEU   5  -3.383  -1.306  -1.715
   36   2HD2  LEU   5          HD22      LEU   5  -3.871  -2.730  -2.633
   37   3HD2  LEU   5          HD23      LEU   5  -3.590  -2.855  -0.897
   38    H    ARG   6           HN       ARG   6  -5.769  -0.727  -5.498
   39    HA   ARG   6           HA       ARG   6  -3.646  -2.205  -6.280
   40   1HB   ARG   6          HB2       ARG   6  -4.095  -1.156  -8.635
   41   2HB   ARG   6          HB1       ARG   6  -5.322  -2.150  -7.865
   42   1HG   ARG   6          HG2       ARG   6  -5.749   0.523  -7.032
   43   2HG   ARG   6          HG1       ARG   6  -5.510   0.534  -8.779
   44   1HD   ARG   6          HD2       ARG   6  -7.882   0.244  -8.081
   45   2HD   ARG   6          HD1       ARG   6  -7.267  -1.060  -9.096
   46    HE   ARG   6           HE       ARG   6  -6.852  -1.990  -6.595
   47   1HH1  ARG   6          HH11      ARG   6  -9.653  -0.670  -8.203
   48   2HH1  ARG   6          HH12      ARG   6 -10.780  -1.600  -7.275
   49   1HH2  ARG   6          HH21      ARG   6  -8.332  -3.215  -5.373
   50   2HH2  ARG   6          HH22      ARG   6 -10.031  -3.045  -5.667
   51    H    MET   7           HN       MET   7  -3.927   1.263  -7.015
   52    HA   MET   7           HA       MET   7  -1.301   1.597  -7.904
   53   1HB   MET   7          HB2       MET   7  -1.626   3.966  -7.612
   54   2HB   MET   7          HB1       MET   7  -3.129   3.266  -8.196
   55   1HG   MET   7          HG2       MET   7  -4.150   3.447  -6.077
   56   2HG   MET   7          HG1       MET   7  -2.614   3.799  -5.287
   57   1HE   MET   7          HE1       MET   7  -4.497   4.780  -8.353
   58   2HE   MET   7          HE2       MET   7  -3.254   5.963  -8.764
   59   3HE   MET   7          HE3       MET   7  -4.835   6.505  -8.200
   60    H    CYS   8           HN       CYS   8  -2.655   1.671  -4.651
   61    HA   CYS   8           HA       CYS   8  -0.440   2.700  -3.291
   62   1HB   CYS   8          HB2       CYS   8  -2.826   1.125  -2.583
   63   2HB   CYS   8          HB1       CYS   8  -1.456   0.895  -1.504
   64    H    GLN   9           HN       GLN   9  -1.245  -0.581  -4.318
   65    HA   GLN   9           HA       GLN   9   0.718  -2.078  -3.105
   66   1HB   GLN   9          HB2       GLN   9  -0.944  -2.308  -5.430
   67   2HB   GLN   9          HB1       GLN   9   0.655  -2.917  -5.807
   68   1HG   GLN   9          HG2       GLN   9  -0.870  -3.796  -3.377
   69   2HG   GLN   9          HG1       GLN   9  -1.027  -4.593  -4.942
   70   1HE2  GLN   9          HE21      GLN   9   1.144  -3.856  -2.307
   71   2HE2  GLN   9          HE22      GLN   9   2.306  -5.083  -2.662
   72    H    LEU  10           HN       LEU  10   0.954  -0.032  -5.945
   73    HA   LEU  10           HA       LEU  10   3.459  -0.582  -6.835
   74   1HB   LEU  10          HB2       LEU  10   1.553   1.145  -7.508
   75   2HB   LEU  10          HB1       LEU  10   2.611   2.245  -6.673
   76    HG   LEU  10           HG       LEU  10   3.122   2.365  -9.009
   77   1HD1  LEU  10          HD11      LEU  10   5.297   0.641  -7.870
   78   2HD1  LEU  10          HD12      LEU  10   4.998   2.276  -7.281
   79   3HD1  LEU  10          HD13      LEU  10   5.434   2.013  -8.969
   80   1HD2  LEU  10          HD21      LEU  10   3.799  -0.553  -9.067
   81   2HD2  LEU  10          HD22      LEU  10   3.512   0.550 -10.413
   82   3HD2  LEU  10          HD23      LEU  10   2.164   0.011  -9.412
   83    H    SER  11           HN       SER  11   2.456   1.854  -4.512
   84    HA   SER  11           HA       SER  11   4.878   2.940  -3.776
   85   1HB   SER  11          HB2       SER  11   2.513   2.348  -1.978
   86   2HB   SER  11          HB1       SER  11   3.832   3.449  -1.581
   87    HG   SER  11           HG       SER  11   3.217   4.742  -3.324
   88    H    CYS  12           HN       CYS  12   3.485  -0.122  -2.811
   89    HA   CYS  12           HA       CYS  12   5.440  -0.689  -0.803
   90   1HB   CYS  12          HB2       CYS  12   2.993  -1.676  -1.435
   91   2HB   CYS  12          HB1       CYS  12   4.021  -2.901  -2.140
   92    H    ARG  13           HN       ARG  13   4.872  -1.564  -4.156
   93    HA   ARG  13           HA       ARG  13   7.029  -3.345  -4.472
   94   1HB   ARG  13          HB2       ARG  13   5.062  -2.981  -6.046
   95   2HB   ARG  13          HB1       ARG  13   5.921  -1.568  -6.644
   96   1HG   ARG  13          HG2       ARG  13   6.694  -3.043  -8.157
   97   2HG   ARG  13          HG1       ARG  13   7.863  -3.397  -6.884
   98   1HD   ARG  13          HD2       ARG  13   7.083  -5.497  -7.555
   99   2HD   ARG  13          HD1       ARG  13   6.185  -5.148  -6.079
  100    HE   ARG  13           HE       ARG  13   4.258  -5.149  -7.304
  101   1HH1  ARG  13          HH11      ARG  13   6.958  -4.783  -9.484
  102   2HH1  ARG  13          HH12      ARG  13   5.986  -4.921 -10.910
  103   1HH2  ARG  13          HH21      ARG  13   2.978  -5.331  -9.179
  104   2HH2  ARG  13          HH22      ARG  13   3.726  -5.232 -10.737
  105    H    LYS  14           HN       LYS  14   6.764   0.139  -5.076
  106    HA   LYS  14           HA       LYS  14   9.467   0.425  -5.939
  107   1HB   LYS  14          HB2       LYS  14   7.147   2.151  -5.533
  108   2HB   LYS  14          HB1       LYS  14   8.656   2.931  -5.080
  109   1HG   LYS  14          HG2       LYS  14   9.554   2.665  -7.252
  110   2HG   LYS  14          HG1       LYS  14   8.256   1.568  -7.727
  111   1HD   LYS  14          HD2       LYS  14   6.646   3.346  -7.655
  112   2HD   LYS  14          HD1       LYS  14   7.833   4.455  -6.966
  113   1HE   LYS  14          HE2       LYS  14   9.119   3.689  -9.215
  114   2HE   LYS  14          HE1       LYS  14   7.443   3.580  -9.753
  115   1HZ   LYS  14          HZ1       LYS  14   8.164   5.757 -10.222
  116   2HZ   LYS  14          HZ2       LYS  14   8.855   5.958  -8.691
  117   3HZ   LYS  14          HZ3       LYS  14   7.173   5.894  -8.857
  118    H    SER  15           HN       SER  15   7.771   1.354  -2.942
  119    HA   SER  15           HA       SER  15   9.966   2.310  -1.536
  120   1HB   SER  15          HB2       SER  15   7.648   2.580  -0.763
  121   2HB   SER  15          HB1       SER  15   7.560   0.852  -0.418
  122    HG   SER  15           HG       SER  15   9.510   2.536   0.749
  123    H    LEU  16           HN       LEU  16   8.551  -0.965  -1.255
  124    HA   LEU  16           HA       LEU  16  11.246  -2.001  -0.759
  125   1HB   LEU  16          HB2       LEU  16   8.843  -2.455   1.003
  126   2HB   LEU  16          HB1       LEU  16  10.283  -3.454   1.063
  127    HG   LEU  16           HG       LEU  16  10.433  -0.481   1.470
  128   1HD1  LEU  16          HD11      LEU  16   9.880  -0.609   3.670
  129   2HD1  LEU  16          HD12      LEU  16  10.373  -2.296   3.813
  130   3HD1  LEU  16          HD13      LEU  16   8.834  -1.887   3.053
  131   1HD2  LEU  16          HD21      LEU  16  12.447  -2.033   1.016
  132   2HD2  LEU  16          HD22      LEU  16  12.186  -2.590   2.669
  133   3HD2  LEU  16          HD23      LEU  16  12.538  -0.890   2.356
  134    H    GLY  17           HN       GLY  17   8.030  -3.498  -0.486
  135   1HA   GLY  17          HA2       GLY  17   7.328  -4.667  -2.682
  136   2HA   GLY  17          HA1       GLY  17   8.883  -5.471  -2.507
  137    H    CYS  18           HN       CYS  18   7.430  -4.909   0.516
  138    HA   CYS  18           HA       CYS  18   6.594  -7.670   0.373
  139   1HB   CYS  18          HB2       CYS  18   6.319  -5.997   2.813
  140   2HB   CYS  18          HB1       CYS  18   6.122  -7.733   2.538
  141    H    LEU  19           HN       LEU  19   5.065  -7.769  -0.656
  142    HA   LEU  19           HA       LEU  19   2.856  -6.208  -1.117
  143   1HB   LEU  19          HB2       LEU  19   3.761  -8.770  -1.803
  144   2HB   LEU  19          HB1       LEU  19   2.147  -8.996  -1.174
  145    HG   LEU  19           HG       LEU  19   2.724  -6.939  -3.270
  146   1HD1  LEU  19          HD11      LEU  19   3.460  -8.728  -4.480
  147   2HD1  LEU  19          HD12      LEU  19   1.727  -8.860  -4.778
  148   3HD1  LEU  19          HD13      LEU  19   2.494  -9.886  -3.565
  149   1HD2  LEU  19          HD21      LEU  19   0.307  -7.501  -3.821
  150   2HD2  LEU  19          HD22      LEU  19   0.594  -6.646  -2.305
  151   3HD2  LEU  19          HD23      LEU  19   0.274  -8.380  -2.293
  152    H    LEU  20           HN       LEU  20   2.420  -5.382   1.089
  153    HA   LEU  20           HA       LEU  20   0.075  -6.408   2.161
  154   1HB   LEU  20          HB2       LEU  20   1.110  -8.224   3.148
  155   2HB   LEU  20          HB1       LEU  20   2.604  -7.353   3.435
  156    HG   LEU  20           HG       LEU  20   1.452  -6.074   5.226
  157   1HD1  LEU  20          HD11      LEU  20  -0.665  -7.664   5.939
  158   2HD1  LEU  20          HD12      LEU  20  -0.825  -7.560   4.185
  159   3HD1  LEU  20          HD13      LEU  20  -0.777  -6.088   5.155
  160   1HD2  LEU  20          HD21      LEU  20   2.706  -8.403   5.393
  161   2HD2  LEU  20          HD22      LEU  20   1.117  -8.930   5.947
  162   3HD2  LEU  20          HD23      LEU  20   1.964  -7.638   6.798
  163    H    GLY  21           HN       GLY  21  -0.857  -4.926   3.538
  164   1HA   GLY  21          HA2       GLY  21   0.322  -3.165   5.233
  165   2HA   GLY  21          HA1       GLY  21   0.336  -2.346   3.690
  166    H    LYS  22           HN       LYS  22  -0.970  -0.773   4.527
  167    HA   LYS  22           HA       LYS  22  -3.790  -1.347   4.259
  168   1HB   LYS  22          HB2       LYS  22  -2.608  -0.503   6.897
  169   2HB   LYS  22          HB1       LYS  22  -4.293  -0.210   6.492
  170   1HG   LYS  22          HG2       LYS  22  -4.336  -2.761   5.986
  171   2HG   LYS  22          HG1       LYS  22  -2.888  -2.792   6.995
  172   1HD   LYS  22          HD2       LYS  22  -4.034  -2.129   8.890
  173   2HD   LYS  22          HD1       LYS  22  -5.335  -1.377   7.964
  174   1HE   LYS  22          HE2       LYS  22  -6.478  -3.313   7.746
  175   2HE   LYS  22          HE1       LYS  22  -5.013  -4.283   7.595
  176   1HZ   LYS  22          HZ1       LYS  22  -5.513  -3.105  10.207
  177   2HZ   LYS  22          HZ2       LYS  22  -4.909  -4.633   9.805
  178   3HZ   LYS  22          HZ3       LYS  22  -6.573  -4.337   9.733
  179    H    CYS  23           HN       CYS  23  -4.983   0.409   3.682
  180    HA   CYS  23           HA       CYS  23  -3.472   2.886   3.228
  181   1HB   CYS  23          HB2       CYS  23  -4.409   1.836   1.222
  182   2HB   CYS  23          HB1       CYS  23  -6.016   1.875   1.936
  183    H    ILE  24           HN       ILE  24  -4.479   4.921   3.614
  184    HA   ILE  24           HA       ILE  24  -6.826   4.936   5.374
  185    HB   ILE  24           HB       ILE  24  -4.110   5.469   6.215
  186   1HG1  ILE  24          HG12      ILE  24  -5.728   4.028   7.369
  187   2HG1  ILE  24          HG11      ILE  24  -5.111   5.298   8.422
  188   1HG2  ILE  24          HG21      ILE  24  -4.813   7.830   5.689
  189   2HG2  ILE  24          HG22      ILE  24  -4.358   7.530   7.362
  190   3HG2  ILE  24          HG23      ILE  24  -6.059   7.651   6.921
  191   1HD1  ILE  24          HD11      ILE  24  -7.197   6.595   7.883
  192   2HD1  ILE  24          HD12      ILE  24  -7.423   5.129   8.837
  193   3HD1  ILE  24          HD13      ILE  24  -7.807   5.129   7.116
  194    H    GLY  25           HN       GLY  25  -7.439   7.047   5.788
  195   1HA   GLY  25          HA2       GLY  25  -8.862   8.462   4.302
  196   2HA   GLY  25          HA1       GLY  25  -7.566   9.291   5.166
  197    H    ASP  26           HN       ASP  26  -5.657   9.230   4.379
  198    HA   ASP  26           HA       ASP  26  -5.417   9.514   1.468
  199   1HB   ASP  26          HB2       ASP  26  -4.354  11.634   3.340
  200   2HB   ASP  26          HB1       ASP  26  -4.398  11.684   1.580
  201    H    LYS  27           HN       LYS  27  -4.517   7.913   3.976
  202    HA   LYS  27           HA       LYS  27  -1.642   8.022   3.495
  203   1HB   LYS  27          HB2       LYS  27  -2.819   8.200   5.795
  204   2HB   LYS  27          HB1       LYS  27  -2.992   6.481   5.568
  205   1HG   LYS  27          HG2       LYS  27  -0.281   7.427   5.116
  206   2HG   LYS  27          HG1       LYS  27  -0.868   7.704   6.756
  207   1HD   LYS  27          HD2       LYS  27  -1.372   5.032   5.582
  208   2HD   LYS  27          HD1       LYS  27   0.298   5.420   6.000
  209   1HE   LYS  27          HE2       LYS  27  -1.960   5.847   7.932
  210   2HE   LYS  27          HE1       LYS  27  -1.150   4.289   7.784
  211   1HZ   LYS  27          HZ1       LYS  27  -0.146   6.812   8.864
  212   2HZ   LYS  27          HZ2       LYS  27   0.960   5.817   8.059
  213   3HZ   LYS  27          HZ3       LYS  27   0.113   5.227   9.399
  214    H    CYS  28           HN       CYS  28  -0.608   6.064   3.764
  215    HA   CYS  28           HA       CYS  28  -1.692   3.537   3.198
  216   1HB   CYS  28          HB2       CYS  28  -1.878   5.040   0.960
  217   2HB   CYS  28          HB1       CYS  28  -0.265   4.369   0.742
  218    H    LYS  29           HN       LYS  29  -0.214   2.007   3.675
  219    HA   LYS  29           HA       LYS  29   2.556   2.276   3.074
  220   1HB   LYS  29          HB2       LYS  29   1.940   3.785   5.206
  221   2HB   LYS  29          HB1       LYS  29   2.201   2.248   6.018
  222   1HG   LYS  29          HG2       LYS  29   4.427   2.259   5.625
  223   2HG   LYS  29          HG1       LYS  29   4.260   3.074   4.069
  224   1HD   LYS  29          HD2       LYS  29   3.746   5.176   5.282
  225   2HD   LYS  29          HD1       LYS  29   4.056   4.336   6.802
  226   1HE   LYS  29          HE2       LYS  29   6.096   5.324   6.416
  227   2HE   LYS  29          HE1       LYS  29   6.335   3.744   5.670
  228   1HZ   LYS  29          HZ1       LYS  29   5.617   4.846   3.534
  229   2HZ   LYS  29          HZ2       LYS  29   7.128   5.310   4.135
  230   3HZ   LYS  29          HZ3       LYS  29   5.792   6.328   4.332
  231    H    CYS  30           HN       CYS  30   3.688   0.409   3.356
  232    HA   CYS  30           HA       CYS  30   2.167  -1.981   3.648
  233   1HB   CYS  30          HB2       CYS  30   5.173  -1.887   3.710
  234   2HB   CYS  30          HB1       CYS  30   4.125  -3.140   3.053
  235    H    TYR  31           HN       TYR  31   3.171  -3.771   5.170
  236    HA   TYR  31           HA       TYR  31   2.918  -2.808   7.732
  237   1HB   TYR  31          HB2       TYR  31   2.666  -5.380   6.446
  238   2HB   TYR  31          HB1       TYR  31   3.448  -5.489   8.017
  239    HD1  TYR  31           HD1      TYR  31   2.246  -4.794  10.053
  240    HD2  TYR  31           HD2      TYR  31   0.332  -4.845   6.255
  241    HE1  TYR  31           HE1      TYR  31   0.054  -4.686  11.162
  242    HE2  TYR  31           HE2      TYR  31  -1.865  -4.737   7.352
  243    HH   TYR  31           HH       TYR  31  -2.257  -5.195  10.728
  244    H    GLY  32           HN       GLY  32   5.184  -1.716   6.797
  245   1HA   GLY  32          HA2       GLY  32   7.412  -1.446   7.260
  246   2HA   GLY  32          HA1       GLY  32   7.148  -2.500   8.643
  247    H    CYS  33           HN       CYS  33   6.237  -3.913   5.673
  248    HA   CYS  33           HA       CYS  33   7.115  -5.603   4.435
  249   1HB   CYS  33          HB2       CYS  33   9.076  -3.658   4.495
  250   2HB   CYS  33          HB1       CYS  33   9.942  -5.104   5.000
  Start of MODEL    8
    1   1H    ALA   1          HT1       ALA   1 -15.671   0.022   3.128
    2   2H    ALA   1          HT2       ALA   1 -14.394   0.142   4.268
    3   3H    ALA   1          HT3       ALA   1 -14.211  -0.839   2.871
    4    HA   ALA   1           HA       ALA   1 -14.646   1.300   1.605
    5   1HB   ALA   1          HB1       ALA   1 -13.502   3.177   3.038
    6   2HB   ALA   1          HB2       ALA   1 -14.131   2.231   4.387
    7   3HB   ALA   1          HB3       ALA   1 -15.234   2.870   3.169
    8    H    PHE   2           HN       PHE   2 -12.646   2.521   0.924
    9    HA   PHE   2           HA       PHE   2 -10.078   1.772   1.773
   10   1HB   PHE   2          HB2       PHE   2 -11.382  -0.147   0.064
   11   2HB   PHE   2          HB1       PHE   2  -9.982   0.531  -0.759
   12    HD1  PHE   2           HD1      PHE   2  -8.120   0.977   1.449
   13    HD2  PHE   2           HD2      PHE   2 -10.759  -2.277   0.705
   14    HE1  PHE   2           HE1      PHE   2  -6.641  -0.511   2.736
   15    HE2  PHE   2           HE2      PHE   2  -9.286  -3.771   1.991
   16    HZ   PHE   2           HZ       PHE   2  -7.224  -2.888   3.008
   17    H    CYS   3           HN       CYS   3  -8.404   2.715   0.507
   18    HA   CYS   3           HA       CYS   3  -9.380   4.652  -1.488
   19   1HB   CYS   3          HB2       CYS   3  -7.187   5.909  -0.644
   20   2HB   CYS   3          HB1       CYS   3  -8.743   6.119   0.149
   21    H    ASN   4           HN       ASN   4  -8.926   3.095  -3.122
   22    HA   ASN   4           HA       ASN   4  -7.663   2.076  -4.721
   23   1HB   ASN   4          HB2       ASN   4  -6.933   4.667  -4.660
   24   2HB   ASN   4          HB1       ASN   4  -5.379   3.923  -4.297
   25   1HD2  ASN   4          HD21      ASN   4  -6.442   5.378  -6.675
   26   2HD2  ASN   4          HD22      ASN   4  -6.122   4.330  -8.011
   27    H    LEU   5           HN       LEU   5  -7.361   0.185  -3.445
   28    HA   LEU   5           HA       LEU   5  -5.085  -0.138  -1.754
   29   1HB   LEU   5          HB2       LEU   5  -7.368  -1.458  -1.890
   30   2HB   LEU   5          HB1       LEU   5  -6.468  -2.467  -3.006
   31    HG   LEU   5           HG       LEU   5  -6.487  -3.329  -0.679
   32   1HD1  LEU   5          HD11      LEU   5  -3.652  -2.660  -1.104
   33   2HD1  LEU   5          HD12      LEU   5  -4.484  -3.390  -2.477
   34   3HD1  LEU   5          HD13      LEU   5  -4.438  -4.229  -0.926
   35   1HD2  LEU   5          HD21      LEU   5  -6.244  -0.824   0.157
   36   2HD2  LEU   5          HD22      LEU   5  -4.533  -1.251   0.136
   37   3HD2  LEU   5          HD23      LEU   5  -5.664  -2.190   1.111
   38    H    ARG   6           HN       ARG   6  -5.878  -1.653  -4.894
   39    HA   ARG   6           HA       ARG   6  -3.556  -2.925  -5.440
   40   1HB   ARG   6          HB2       ARG   6  -3.993  -2.185  -7.902
   41   2HB   ARG   6          HB1       ARG   6  -5.162  -3.209  -7.082
   42   1HG   ARG   6          HG2       ARG   6  -6.742  -1.735  -7.548
   43   2HG   ARG   6          HG1       ARG   6  -5.910  -0.545  -6.548
   44   1HD   ARG   6          HD2       ARG   6  -4.920   0.475  -8.341
   45   2HD   ARG   6          HD1       ARG   6  -4.917  -0.996  -9.313
   46    HE   ARG   6           HE       ARG   6  -7.549   0.032  -8.809
   47   1HH1  ARG   6          HH11      ARG   6  -4.751   0.257 -10.883
   48   2HH1  ARG   6          HH12      ARG   6  -5.643   0.879 -12.230
   49   1HH2  ARG   6          HH21      ARG   6  -8.725   0.850 -10.580
   50   2HH2  ARG   6          HH22      ARG   6  -7.899   1.216 -12.058
   51    H    MET   7           HN       MET   7  -4.199   0.422  -6.478
   52    HA   MET   7           HA       MET   7  -1.665   1.056  -7.379
   53   1HB   MET   7          HB2       MET   7  -3.702   2.503  -7.575
   54   2HB   MET   7          HB1       MET   7  -3.504   2.935  -5.882
   55   1HG   MET   7          HG2       MET   7  -2.473   4.702  -6.872
   56   2HG   MET   7          HG1       MET   7  -1.098   3.619  -6.668
   57   1HE   MET   7          HE1       MET   7  -3.837   4.928  -9.062
   58   2HE   MET   7          HE2       MET   7  -2.886   5.184 -10.525
   59   3HE   MET   7          HE3       MET   7  -2.493   6.071  -9.052
   60    H    CYS   8           HN       CYS   8  -2.968   1.221  -4.092
   61    HA   CYS   8           HA       CYS   8  -0.780   2.382  -2.813
   62   1HB   CYS   8          HB2       CYS   8  -3.131   0.852  -2.026
   63   2HB   CYS   8          HB1       CYS   8  -1.748   0.502  -0.997
   64    H    GLN   9           HN       GLN   9  -1.494  -1.005  -3.541
   65    HA   GLN   9           HA       GLN   9   0.612  -2.303  -2.332
   66   1HB   GLN   9          HB2       GLN   9  -1.204  -2.823  -4.492
   67   2HB   GLN   9          HB1       GLN   9   0.389  -3.415  -4.923
   68   1HG   GLN   9          HG2       GLN   9  -0.953  -5.147  -3.861
   69   2HG   GLN   9          HG1       GLN   9   0.467  -4.750  -2.895
   70   1HE2  GLN   9          HE21      GLN   9  -1.892  -6.037  -1.971
   71   2HE2  GLN   9          HE22      GLN   9  -2.608  -5.017  -0.775
   72    H    LEU  10           HN       LEU  10   0.561  -0.551  -5.369
   73    HA   LEU  10           HA       LEU  10   3.008  -1.096  -6.405
   74   1HB   LEU  10          HB2       LEU  10   0.991   0.504  -7.067
   75   2HB   LEU  10          HB1       LEU  10   2.066   1.707  -6.418
   76    HG   LEU  10           HG       LEU  10   3.802   0.540  -8.058
   77   1HD1  LEU  10          HD11      LEU  10   2.966  -0.619  -9.801
   78   2HD1  LEU  10          HD12      LEU  10   1.468   0.311  -9.844
   79   3HD1  LEU  10          HD13      LEU  10   1.670  -0.981  -8.660
   80   1HD2  LEU  10          HD21      LEU  10   2.899   2.178  -9.848
   81   2HD2  LEU  10          HD22      LEU  10   3.472   2.819  -8.308
   82   3HD2  LEU  10          HD23      LEU  10   1.742   2.640  -8.600
   83    H    SER  11           HN       SER  11   2.095   1.499  -4.223
   84    HA   SER  11           HA       SER  11   4.515   2.734  -3.776
   85   1HB   SER  11          HB2       SER  11   2.369   2.175  -1.710
   86   2HB   SER  11          HB1       SER  11   3.639   3.389  -1.559
   87    HG   SER  11           HG       SER  11   2.672   4.616  -3.035
   88    H    CYS  12           HN       CYS  12   3.361  -0.306  -2.495
   89    HA   CYS  12           HA       CYS  12   5.486  -0.656  -0.618
   90   1HB   CYS  12          HB2       CYS  12   3.082  -1.833  -0.988
   91   2HB   CYS  12          HB1       CYS  12   4.116  -3.015  -1.762
   92    H    ARG  13           HN       ARG  13   4.737  -1.833  -3.852
   93    HA   ARG  13           HA       ARG  13   6.968  -3.463  -4.256
   94   1HB   ARG  13          HB2       ARG  13   4.917  -3.261  -5.729
   95   2HB   ARG  13          HB1       ARG  13   5.638  -1.803  -6.397
   96   1HG   ARG  13          HG2       ARG  13   6.401  -3.265  -7.934
   97   2HG   ARG  13          HG1       ARG  13   7.687  -3.475  -6.744
   98   1HD   ARG  13          HD2       ARG  13   6.939  -5.532  -6.095
   99   2HD   ARG  13          HD1       ARG  13   5.258  -5.160  -6.472
  100    HE   ARG  13           HE       ARG  13   6.935  -5.336  -8.795
  101   1HH1  ARG  13          HH11      ARG  13   5.015  -7.160  -6.522
  102   2HH1  ARG  13          HH12      ARG  13   4.738  -8.472  -7.617
  103   1HH2  ARG  13          HH21      ARG  13   6.572  -7.061 -10.237
  104   2HH2  ARG  13          HH22      ARG  13   5.622  -8.416  -9.726
  105    H    LYS  14           HN       LYS  14   6.510  -0.014  -4.924
  106    HA   LYS  14           HA       LYS  14   9.164   0.358  -5.927
  107   1HB   LYS  14          HB2       LYS  14   6.780   2.002  -5.484
  108   2HB   LYS  14          HB1       LYS  14   8.283   2.862  -5.180
  109   1HG   LYS  14          HG2       LYS  14   8.193   3.288  -7.377
  110   2HG   LYS  14          HG1       LYS  14   8.867   1.665  -7.529
  111   1HD   LYS  14          HD2       LYS  14   6.252   1.063  -7.391
  112   2HD   LYS  14          HD1       LYS  14   6.152   2.661  -8.132
  113   1HE   LYS  14          HE2       LYS  14   7.592   0.225  -9.150
  114   2HE   LYS  14          HE1       LYS  14   6.265   1.103  -9.911
  115   1HZ   LYS  14          HZ1       LYS  14   7.738   2.989 -10.227
  116   2HZ   LYS  14          HZ2       LYS  14   8.384   1.607 -10.957
  117   3HZ   LYS  14          HZ3       LYS  14   9.010   2.156  -9.485
  118    H    SER  15           HN       SER  15   7.522   1.382  -2.928
  119    HA   SER  15           HA       SER  15   9.775   2.444  -1.661
  120   1HB   SER  15          HB2       SER  15   7.493   2.843  -0.857
  121   2HB   SER  15          HB1       SER  15   7.349   1.147  -0.397
  122    HG   SER  15           HG       SER  15   8.309   3.129   1.046
  123    H    LEU  16           HN       LEU  16   8.254  -0.702  -0.897
  124    HA   LEU  16           HA       LEU  16  10.940  -1.696  -0.200
  125   1HB   LEU  16          HB2       LEU  16   8.314  -1.984   1.168
  126   2HB   LEU  16          HB1       LEU  16   9.424  -3.340   1.236
  127    HG   LEU  16           HG       LEU  16   9.573  -1.833   3.202
  128   1HD1  LEU  16          HD11      LEU  16  12.129  -1.717   1.634
  129   2HD1  LEU  16          HD12      LEU  16  11.488  -3.232   2.270
  130   3HD1  LEU  16          HD13      LEU  16  11.908  -1.920   3.372
  131   1HD2  LEU  16          HD21      LEU  16  10.994   0.183   1.541
  132   2HD2  LEU  16          HD22      LEU  16  10.153   0.374   3.079
  133   3HD2  LEU  16          HD23      LEU  16   9.231   0.219   1.584
  134    H    GLY  17           HN       GLY  17   7.906  -3.511  -0.423
  135   1HA   GLY  17          HA2       GLY  17   7.667  -4.576  -2.803
  136   2HA   GLY  17          HA1       GLY  17   9.205  -5.307  -2.354
  137    H    CYS  18           HN       CYS  18   7.536  -5.129   0.487
  138    HA   CYS  18           HA       CYS  18   6.564  -7.780  -0.128
  139   1HB   CYS  18          HB2       CYS  18   6.121  -6.591   2.537
  140   2HB   CYS  18          HB1       CYS  18   6.105  -8.247   1.930
  141    H    LEU  19           HN       LEU  19   5.048  -7.652  -1.210
  142    HA   LEU  19           HA       LEU  19   3.031  -5.974  -1.610
  143   1HB   LEU  19          HB2       LEU  19   2.442  -8.845  -1.746
  144   2HB   LEU  19          HB1       LEU  19   2.277  -7.596  -2.913
  145    HG   LEU  19           HG       LEU  19   4.798  -9.062  -2.293
  146   1HD1  LEU  19          HD11      LEU  19   4.576 -10.056  -4.416
  147   2HD1  LEU  19          HD12      LEU  19   3.248  -8.986  -4.863
  148   3HD1  LEU  19          HD13      LEU  19   3.007 -10.224  -3.630
  149   1HD2  LEU  19          HD21      LEU  19   4.934  -6.547  -2.919
  150   2HD2  LEU  19          HD22      LEU  19   4.449  -7.093  -4.524
  151   3HD2  LEU  19          HD23      LEU  19   5.936  -7.702  -3.797
  152    H    LEU  20           HN       LEU  20   2.371  -5.169   0.483
  153    HA   LEU  20           HA       LEU  20  -0.037  -6.139   1.416
  154   1HB   LEU  20          HB2       LEU  20   0.698  -6.949   3.712
  155   2HB   LEU  20          HB1       LEU  20   0.915  -8.053   2.369
  156    HG   LEU  20           HG       LEU  20   3.284  -6.428   2.834
  157   1HD1  LEU  20          HD11      LEU  20   1.947  -7.581   5.146
  158   2HD1  LEU  20          HD12      LEU  20   3.293  -6.446   5.062
  159   3HD1  LEU  20          HD13      LEU  20   3.592  -8.178   4.929
  160   1HD2  LEU  20          HD21      LEU  20   3.692  -8.258   1.524
  161   2HD2  LEU  20          HD22      LEU  20   2.555  -9.279   2.403
  162   3HD2  LEU  20          HD23      LEU  20   4.133  -8.911   3.101
  163    H    GLY  21           HN       GLY  21  -0.973  -4.771   2.943
  164   1HA   GLY  21          HA2       GLY  21   0.209  -3.086   4.709
  165   2HA   GLY  21          HA1       GLY  21   0.235  -2.202   3.202
  166    H    LYS  22           HN       LYS  22  -1.063  -0.658   4.102
  167    HA   LYS  22           HA       LYS  22  -3.882  -1.184   3.776
  168   1HB   LYS  22          HB2       LYS  22  -4.374  -0.145   6.082
  169   2HB   LYS  22          HB1       LYS  22  -3.905  -1.837   6.014
  170   1HG   LYS  22          HG2       LYS  22  -1.553  -1.091   6.512
  171   2HG   LYS  22          HG1       LYS  22  -2.220   0.511   6.835
  172   1HD   LYS  22          HD2       LYS  22  -3.563  -1.736   8.193
  173   2HD   LYS  22          HD1       LYS  22  -1.911  -1.401   8.716
  174   1HE   LYS  22          HE2       LYS  22  -2.939   0.064  10.091
  175   2HE   LYS  22          HE1       LYS  22  -2.895   1.100   8.665
  176   1HZ   LYS  22          HZ1       LYS  22  -5.092   1.038   9.703
  177   2HZ   LYS  22          HZ2       LYS  22  -5.179  -0.632   9.444
  178   3HZ   LYS  22          HZ3       LYS  22  -5.135   0.427   8.126
  179    H    CYS  23           HN       CYS  23  -5.074   0.620   3.360
  180    HA   CYS  23           HA       CYS  23  -3.534   3.106   3.055
  181   1HB   CYS  23          HB2       CYS  23  -4.473   2.165   0.980
  182   2HB   CYS  23          HB1       CYS  23  -6.087   2.241   1.678
  183    H    ILE  24           HN       ILE  24  -4.523   5.122   3.561
  184    HA   ILE  24           HA       ILE  24  -6.877   5.043   5.331
  185    HB   ILE  24           HB       ILE  24  -4.685   6.857   6.113
  186   1HG1  ILE  24          HG12      ILE  24  -4.657   3.927   6.882
  187   2HG1  ILE  24          HG11      ILE  24  -3.529   4.669   5.752
  188   1HG2  ILE  24          HG21      ILE  24  -7.034   5.540   7.300
  189   2HG2  ILE  24          HG22      ILE  24  -6.378   7.155   7.568
  190   3HG2  ILE  24          HG23      ILE  24  -5.653   5.764   8.374
  191   1HD1  ILE  24          HD11      ILE  24  -2.209   5.152   7.453
  192   2HD1  ILE  24          HD12      ILE  24  -3.401   4.529   8.593
  193   3HD1  ILE  24          HD13      ILE  24  -3.457   6.220   8.095
  194    H    GLY  25           HN       GLY  25  -7.440   7.142   5.879
  195   1HA   GLY  25          HA2       GLY  25  -8.876   8.651   4.479
  196   2HA   GLY  25          HA1       GLY  25  -7.566   9.413   5.384
  197    H    ASP  26           HN       ASP  26  -5.657   9.387   4.582
  198    HA   ASP  26           HA       ASP  26  -5.421   9.793   1.694
  199   1HB   ASP  26          HB2       ASP  26  -5.887  12.004   3.000
  200   2HB   ASP  26          HB1       ASP  26  -4.219  11.836   3.541
  201    H    LYS  27           HN       LYS  27  -4.520   8.082   4.132
  202    HA   LYS  27           HA       LYS  27  -1.647   8.230   3.653
  203   1HB   LYS  27          HB2       LYS  27  -2.806   8.280   5.962
  204   2HB   LYS  27          HB1       LYS  27  -2.985   6.576   5.643
  205   1HG   LYS  27          HG2       LYS  27  -0.738   6.139   5.817
  206   2HG   LYS  27          HG1       LYS  27  -0.294   7.795   5.396
  207   1HD   LYS  27          HD2       LYS  27  -1.845   7.497   7.880
  208   2HD   LYS  27          HD1       LYS  27  -0.229   6.789   7.911
  209   1HE   LYS  27          HE2       LYS  27  -0.418   9.486   6.742
  210   2HE   LYS  27          HE1       LYS  27  -0.765   9.380   8.467
  211   1HZ   LYS  27          HZ1       LYS  27   1.487   9.666   8.486
  212   2HZ   LYS  27          HZ2       LYS  27   1.736   8.827   7.039
  213   3HZ   LYS  27          HZ3       LYS  27   1.416   7.975   8.465
  214    H    CYS  28           HN       CYS  28  -0.594   6.271   3.826
  215    HA   CYS  28           HA       CYS  28  -1.704   3.785   3.049
  216   1HB   CYS  28          HB2       CYS  28  -2.037   4.967   0.909
  217   2HB   CYS  28          HB1       CYS  28  -0.312   5.312   0.839
  218    H    LYS  29           HN       LYS  29  -0.292   2.187   3.525
  219    HA   LYS  29           HA       LYS  29   2.520   2.410   3.168
  220   1HB   LYS  29          HB2       LYS  29   1.373   3.146   5.803
  221   2HB   LYS  29          HB1       LYS  29   2.788   2.103   5.824
  222   1HG   LYS  29          HG2       LYS  29   3.642   3.964   4.098
  223   2HG   LYS  29          HG1       LYS  29   2.532   4.940   5.064
  224   1HD   LYS  29          HD2       LYS  29   4.322   5.187   6.412
  225   2HD   LYS  29          HD1       LYS  29   3.844   3.597   7.012
  226   1HE   LYS  29          HE2       LYS  29   6.128   3.380   6.571
  227   2HE   LYS  29          HE1       LYS  29   5.346   2.655   5.167
  228   1HZ   LYS  29          HZ1       LYS  29   5.677   4.745   3.973
  229   2HZ   LYS  29          HZ2       LYS  29   7.148   4.088   4.488
  230   3HZ   LYS  29          HZ3       LYS  29   6.472   5.400   5.316
  231    H    CYS  30           HN       CYS  30   3.592   0.509   3.485
  232    HA   CYS  30           HA       CYS  30   2.111  -1.855   3.266
  233   1HB   CYS  30          HB2       CYS  30   4.988  -1.625   4.163
  234   2HB   CYS  30          HB1       CYS  30   4.223  -3.022   3.412
  235    H    TYR  31           HN       TYR  31   2.430  -3.767   4.819
  236    HA   TYR  31           HA       TYR  31   1.439  -3.020   7.266
  237   1HB   TYR  31          HB2       TYR  31   1.692  -5.506   5.771
  238   2HB   TYR  31          HB1       TYR  31   1.817  -5.705   7.516
  239    HD1  TYR  31           HD1      TYR  31  -0.060  -4.256   8.834
  240    HD2  TYR  31           HD2      TYR  31  -0.409  -5.761   4.870
  241    HE1  TYR  31           HE1      TYR  31  -2.510  -4.162   9.021
  242    HE2  TYR  31           HE2      TYR  31  -2.860  -5.671   5.045
  243    HH   TYR  31           HH       TYR  31  -4.462  -4.063   7.616
  244    H    GLY  32           HN       GLY  32   3.849  -5.516   6.824
  245   1HA   GLY  32          HA2       GLY  32   5.422  -4.298   8.997
  246   2HA   GLY  32          HA1       GLY  32   5.415  -6.012   8.598
  247    H    CYS  33           HN       CYS  33   5.358  -4.170   5.789
  248    HA   CYS  33           HA       CYS  33   8.304  -4.284   5.572
  249   1HB   CYS  33          HB2       CYS  33   6.670  -5.975   4.262
  250   2HB   CYS  33          HB1       CYS  33   6.693  -4.648   3.108
  Start of MODEL    9
    1   1H    ALA   1          HT1       ALA   1 -15.279   3.483  -0.716
    2   2H    ALA   1          HT2       ALA   1 -16.486   2.266  -0.624
    3   3H    ALA   1          HT3       ALA   1 -15.237   2.153  -1.796
    4    HA   ALA   1           HA       ALA   1 -14.730   2.192   1.092
    5   1HB   ALA   1          HB1       ALA   1 -14.918  -0.269  -0.631
    6   2HB   ALA   1          HB2       ALA   1 -16.235   0.302   0.395
    7   3HB   ALA   1          HB3       ALA   1 -14.699  -0.181   1.117
    8    H    PHE   2           HN       PHE   2 -12.597   1.778   1.606
    9    HA   PHE   2           HA       PHE   2 -10.338   1.781   1.345
   10   1HB   PHE   2          HB2       PHE   2 -11.351  -0.066  -0.620
   11   2HB   PHE   2          HB1       PHE   2  -9.919   0.745  -1.245
   12    HD1  PHE   2           HD1      PHE   2  -8.322   1.118   1.182
   13    HD2  PHE   2           HD2      PHE   2 -10.658  -2.207  -0.084
   14    HE1  PHE   2           HE1      PHE   2  -6.892  -0.385   2.505
   15    HE2  PHE   2           HE2      PHE   2  -9.233  -3.716   1.238
   16    HZ   PHE   2           HZ       PHE   2  -7.347  -2.805   2.534
   17    H    CYS   3           HN       CYS   3  -8.604   2.891   0.316
   18    HA   CYS   3           HA       CYS   3  -9.498   4.944  -1.600
   19   1HB   CYS   3          HB2       CYS   3  -7.445   6.216  -0.492
   20   2HB   CYS   3          HB1       CYS   3  -9.051   6.272   0.224
   21    H    ASN   4           HN       ASN   4  -8.883   3.430  -3.228
   22    HA   ASN   4           HA       ASN   4  -7.422   2.330  -4.636
   23   1HB   ASN   4          HB2       ASN   4  -7.353   5.036  -4.943
   24   2HB   ASN   4          HB1       ASN   4  -5.643   4.684  -4.713
   25   1HD2  ASN   4          HD21      ASN   4  -5.323   2.303  -5.928
   26   2HD2  ASN   4          HD22      ASN   4  -5.673   2.431  -7.615
   27    H    LEU   5           HN       LEU   5  -6.686   0.880  -2.999
   28    HA   LEU   5           HA       LEU   5  -4.169   1.406  -1.687
   29   1HB   LEU   5          HB2       LEU   5  -6.295  -0.224  -1.135
   30   2HB   LEU   5          HB1       LEU   5  -5.126  -1.369  -1.762
   31    HG   LEU   5           HG       LEU   5  -4.801   0.447   0.621
   32   1HD1  LEU   5          HD11      LEU   5  -5.206  -1.343   1.903
   33   2HD1  LEU   5          HD12      LEU   5  -4.310  -2.431   0.843
   34   3HD1  LEU   5          HD13      LEU   5  -5.977  -2.000   0.460
   35   1HD2  LEU   5          HD21      LEU   5  -2.752  -1.482  -0.443
   36   2HD2  LEU   5          HD22      LEU   5  -2.570  -0.309   0.861
   37   3HD2  LEU   5          HD23      LEU   5  -2.730   0.243  -0.806
   38    H    ARG   6           HN       ARG   6  -5.317  -0.638  -4.338
   39    HA   ARG   6           HA       ARG   6  -3.189  -2.194  -4.923
   40   1HB   ARG   6          HB2       ARG   6  -5.446  -1.730  -6.212
   41   2HB   ARG   6          HB1       ARG   6  -4.419  -0.699  -7.199
   42   1HG   ARG   6          HG2       ARG   6  -3.847  -3.603  -6.664
   43   2HG   ARG   6          HG1       ARG   6  -4.735  -3.013  -8.071
   44   1HD   ARG   6          HD2       ARG   6  -1.908  -2.275  -7.320
   45   2HD   ARG   6          HD1       ARG   6  -2.378  -3.396  -8.596
   46    HE   ARG   6           HE       ARG   6  -2.410  -0.525  -8.709
   47   1HH1  ARG   6          HH11      ARG   6  -3.767  -3.454 -10.035
   48   2HH1  ARG   6          HH12      ARG   6  -4.212  -2.716 -11.537
   49   1HH2  ARG   6          HH21      ARG   6  -2.995   0.447 -10.684
   50   2HH2  ARG   6          HH22      ARG   6  -3.774  -0.502 -11.906
   51    H    MET   7           HN       MET   7  -3.602   1.074  -6.280
   52    HA   MET   7           HA       MET   7  -1.129   1.302  -7.497
   53   1HB   MET   7          HB2       MET   7  -1.403   3.716  -7.355
   54   2HB   MET   7          HB1       MET   7  -2.946   2.964  -7.734
   55   1HG   MET   7          HG2       MET   7  -3.604   3.166  -5.378
   56   2HG   MET   7          HG1       MET   7  -2.072   3.968  -5.035
   57   1HE   MET   7          HE1       MET   7  -3.708   7.231  -4.745
   58   2HE   MET   7          HE2       MET   7  -2.032   6.793  -5.080
   59   3HE   MET   7          HE3       MET   7  -2.993   5.818  -3.969
   60    H    CYS   8           HN       CYS   8  -2.036   2.012  -4.153
   61    HA   CYS   8           HA       CYS   8   0.447   2.968  -3.274
   62   1HB   CYS   8          HB2       CYS   8  -2.010   1.970  -2.042
   63   2HB   CYS   8          HB1       CYS   8  -0.576   1.572  -1.102
   64    H    GLN   9           HN       GLN   9  -0.889  -0.294  -3.468
   65    HA   GLN   9           HA       GLN   9   1.058  -1.820  -2.276
   66   1HB   GLN   9          HB2       GLN   9  -1.016  -2.203  -4.213
   67   2HB   GLN   9          HB1       GLN   9   0.397  -3.114  -4.706
   68   1HG   GLN   9          HG2       GLN   9  -0.145  -4.704  -3.268
   69   2HG   GLN   9          HG1       GLN   9   0.052  -3.560  -1.942
   70   1HE2  GLN   9          HE21      GLN   9  -2.067  -1.838  -2.554
   71   2HE2  GLN   9          HE22      GLN   9  -3.551  -2.679  -2.281
   72    H    LEU  10           HN       LEU  10   1.023  -0.381  -5.466
   73    HA   LEU  10           HA       LEU  10   3.220  -1.486  -6.616
   74   1HB   LEU  10          HB2       LEU  10   1.455   0.370  -7.329
   75   2HB   LEU  10          HB1       LEU  10   2.781   1.423  -6.921
   76    HG   LEU  10           HG       LEU  10   2.828   1.004  -9.290
   77   1HD1  LEU  10          HD11      LEU  10   5.010  -0.731  -8.193
   78   2HD1  LEU  10          HD12      LEU  10   4.973   1.004  -7.878
   79   3HD1  LEU  10          HD13      LEU  10   5.065   0.411  -9.536
   80   1HD2  LEU  10          HD21      LEU  10   2.421  -1.800  -8.422
   81   2HD2  LEU  10          HD22      LEU  10   3.417  -1.530  -9.852
   82   3HD2  LEU  10          HD23      LEU  10   1.759  -0.932  -9.807
   83    H    SER  11           HN       SER  11   2.998   1.482  -4.746
   84    HA   SER  11           HA       SER  11   5.681   2.201  -4.653
   85   1HB   SER  11          HB2       SER  11   3.326   2.702  -2.913
   86   2HB   SER  11          HB1       SER  11   4.908   3.009  -2.197
   87    HG   SER  11           HG       SER  11   4.365   4.880  -3.184
   88    H    CYS  12           HN       CYS  12   3.964  -0.199  -2.797
   89    HA   CYS  12           HA       CYS  12   6.109  -0.759  -0.984
   90   1HB   CYS  12          HB2       CYS  12   3.448  -1.293  -1.050
   91   2HB   CYS  12          HB1       CYS  12   4.093  -2.830  -1.571
   92    H    ARG  13           HN       ARG  13   4.825  -2.082  -3.956
   93    HA   ARG  13           HA       ARG  13   6.535  -4.338  -4.122
   94   1HB   ARG  13          HB2       ARG  13   4.449  -4.163  -5.405
   95   2HB   ARG  13          HB1       ARG  13   5.123  -2.829  -6.331
   96   1HG   ARG  13          HG2       ARG  13   6.440  -4.183  -7.594
   97   2HG   ARG  13          HG1       ARG  13   6.630  -5.381  -6.312
   98   1HD   ARG  13          HD2       ARG  13   4.668  -6.446  -6.830
   99   2HD   ARG  13          HD1       ARG  13   3.930  -4.992  -7.499
  100    HE   ARG  13           HE       ARG  13   5.516  -6.936  -8.901
  101   1HH1  ARG  13          HH11      ARG  13   4.410  -3.626  -8.879
  102   2HH1  ARG  13          HH12      ARG  13   4.607  -3.418 -10.586
  103   1HH2  ARG  13          HH21      ARG  13   5.776  -6.664 -11.147
  104   2HH2  ARG  13          HH22      ARG  13   5.383  -5.142 -11.874
  105    H    LYS  14           HN       LYS  14   6.632  -1.252  -5.907
  106    HA   LYS  14           HA       LYS  14   9.109  -1.657  -7.130
  107   1HB   LYS  14          HB2       LYS  14   7.236   0.525  -6.791
  108   2HB   LYS  14          HB1       LYS  14   8.893   1.104  -6.686
  109   1HG   LYS  14          HG2       LYS  14   9.393   0.085  -8.846
  110   2HG   LYS  14          HG1       LYS  14   7.734  -0.508  -8.951
  111   1HD   LYS  14          HD2       LYS  14   6.857   1.635  -9.223
  112   2HD   LYS  14          HD1       LYS  14   8.300   2.410  -8.567
  113   1HE   LYS  14          HE2       LYS  14   8.312   0.855 -11.142
  114   2HE   LYS  14          HE1       LYS  14   7.964   2.582 -11.074
  115   1HZ   LYS  14          HZ1       LYS  14  10.486   1.184 -10.730
  116   2HZ   LYS  14          HZ2       LYS  14  10.222   2.483  -9.679
  117   3HZ   LYS  14          HZ3       LYS  14  10.178   2.727 -11.352
  118    H    SER  15           HN       SER  15   8.318   0.109  -4.133
  119    HA   SER  15           HA       SER  15  10.909   0.867  -3.450
  120   1HB   SER  15          HB2       SER  15   8.928   1.732  -2.293
  121   2HB   SER  15          HB1       SER  15   8.633   0.142  -1.589
  122    HG   SER  15           HG       SER  15   9.833   0.906  -0.034
  123    H    LEU  16           HN       LEU  16   9.123  -1.910  -2.062
  124    HA   LEU  16           HA       LEU  16  11.611  -3.448  -2.065
  125   1HB   LEU  16          HB2       LEU  16   9.932  -3.175   0.421
  126   2HB   LEU  16          HB1       LEU  16  11.461  -4.019   0.261
  127    HG   LEU  16           HG       LEU  16  11.141  -1.035  -0.048
  128   1HD1  LEU  16          HD11      LEU  16  12.545  -1.309   2.211
  129   2HD1  LEU  16          HD12      LEU  16  11.534  -2.749   2.327
  130   3HD1  LEU  16          HD13      LEU  16  10.789  -1.157   2.182
  131   1HD2  LEU  16          HD21      LEU  16  13.118  -2.531  -1.045
  132   2HD2  LEU  16          HD22      LEU  16  13.723  -2.325   0.599
  133   3HD2  LEU  16          HD23      LEU  16  13.376  -0.911  -0.397
  134    H    GLY  17           HN       GLY  17  10.698  -5.594  -0.500
  135   1HA   GLY  17          HA2       GLY  17   8.500  -6.618  -2.189
  136   2HA   GLY  17          HA1       GLY  17   9.817  -7.611  -1.582
  137    H    CYS  18           HN       CYS  18   7.843  -5.197   0.078
  138    HA   CYS  18           HA       CYS  18   6.818  -7.272   1.849
  139   1HB   CYS  18          HB2       CYS  18   8.602  -5.747   2.785
  140   2HB   CYS  18          HB1       CYS  18   7.401  -4.508   2.422
  141    H    LEU  19           HN       LEU  19   6.051  -6.145  -0.206
  142    HA   LEU  19           HA       LEU  19   4.404  -4.421  -0.987
  143   1HB   LEU  19          HB2       LEU  19   4.729  -7.013  -1.579
  144   2HB   LEU  19          HB1       LEU  19   3.069  -7.009  -1.073
  145    HG   LEU  19           HG       LEU  19   4.290  -5.371  -3.262
  146   1HD1  LEU  19          HD11      LEU  19   3.996  -7.624  -3.975
  147   2HD1  LEU  19          HD12      LEU  19   2.690  -6.676  -4.685
  148   3HD1  LEU  19          HD13      LEU  19   2.376  -7.696  -3.281
  149   1HD2  LEU  19          HD21      LEU  19   2.575  -4.070  -2.149
  150   2HD2  LEU  19          HD22      LEU  19   1.440  -5.413  -2.277
  151   3HD2  LEU  19          HD23      LEU  19   2.002  -4.593  -3.733
  152    H    LEU  20           HN       LEU  20   3.285  -6.695   1.517
  153    HA   LEU  20           HA       LEU  20   0.668  -6.014   1.820
  154   1HB   LEU  20          HB2       LEU  20   2.793  -6.740   3.782
  155   2HB   LEU  20          HB1       LEU  20   1.229  -6.228   4.389
  156    HG   LEU  20           HG       LEU  20   1.469  -8.691   4.211
  157   1HD1  LEU  20          HD11      LEU  20  -0.710  -7.262   3.851
  158   2HD1  LEU  20          HD12      LEU  20  -0.714  -9.010   3.617
  159   3HD1  LEU  20          HD13      LEU  20  -0.609  -7.934   2.224
  160   1HD2  LEU  20          HD21      LEU  20   2.877  -8.563   2.116
  161   2HD2  LEU  20          HD22      LEU  20   1.376  -8.288   1.233
  162   3HD2  LEU  20          HD23      LEU  20   1.611  -9.791   2.125
  163    H    GLY  21           HN       GLY  21  -0.478  -4.581   3.217
  164   1HA   GLY  21          HA2       GLY  21   0.484  -2.480   4.642
  165   2HA   GLY  21          HA1       GLY  21   0.374  -1.874   3.007
  166    H    LYS  22           HN       LYS  22  -1.109  -0.378   3.684
  167    HA   LYS  22           HA       LYS  22  -3.806  -1.116   3.303
  168   1HB   LYS  22          HB2       LYS  22  -3.356  -1.992   5.659
  169   2HB   LYS  22          HB1       LYS  22  -3.263  -0.307   6.152
  170   1HG   LYS  22          HG2       LYS  22  -5.537   0.072   5.466
  171   2HG   LYS  22          HG1       LYS  22  -5.645  -1.561   4.805
  172   1HD   LYS  22          HD2       LYS  22  -4.820  -1.399   7.625
  173   2HD   LYS  22          HD1       LYS  22  -6.467  -0.860   7.291
  174   1HE   LYS  22          HE2       LYS  22  -6.959  -3.046   7.501
  175   2HE   LYS  22          HE1       LYS  22  -6.385  -3.135   5.836
  176   1HZ   LYS  22          HZ1       LYS  22  -5.412  -4.825   7.345
  177   2HZ   LYS  22          HZ2       LYS  22  -4.655  -3.581   8.205
  178   3HZ   LYS  22          HZ3       LYS  22  -4.256  -3.852   6.584
  179    H    CYS  23           HN       CYS  23  -5.159   0.605   3.049
  180    HA   CYS  23           HA       CYS  23  -3.860   3.243   3.105
  181   1HB   CYS  23          HB2       CYS  23  -4.686   2.413   0.906
  182   2HB   CYS  23          HB1       CYS  23  -6.318   2.379   1.564
  183    H    ILE  24           HN       ILE  24  -5.053   5.086   3.801
  184    HA   ILE  24           HA       ILE  24  -7.428   4.580   5.468
  185    HB   ILE  24           HB       ILE  24  -5.452   6.503   6.513
  186   1HG1  ILE  24          HG12      ILE  24  -4.045   4.528   5.964
  187   2HG1  ILE  24          HG11      ILE  24  -4.173   4.799   7.699
  188   1HG2  ILE  24          HG21      ILE  24  -7.670   4.824   7.477
  189   2HG2  ILE  24          HG22      ILE  24  -7.199   6.460   7.936
  190   3HG2  ILE  24          HG23      ILE  24  -6.342   5.074   8.610
  191   1HD1  ILE  24          HD11      ILE  24  -4.860   2.719   7.959
  192   2HD1  ILE  24          HD12      ILE  24  -4.769   2.462   6.217
  193   3HD1  ILE  24          HD13      ILE  24  -6.264   3.050   6.944
  194    H    GLY  25           HN       GLY  25  -8.217   6.538   6.220
  195   1HA   GLY  25          HA2       GLY  25  -9.763   8.047   4.943
  196   2HA   GLY  25          HA1       GLY  25  -8.557   8.828   5.970
  197    H    ASP  26           HN       ASP  26  -6.639   9.076   5.236
  198    HA   ASP  26           HA       ASP  26  -6.366   9.811   2.418
  199   1HB   ASP  26          HB2       ASP  26  -7.021  11.775   4.165
  200   2HB   ASP  26          HB1       ASP  26  -5.267  11.798   4.321
  201    H    LYS  27           HN       LYS  27  -5.361   7.948   4.698
  202    HA   LYS  27           HA       LYS  27  -2.506   8.438   4.345
  203   1HB   LYS  27          HB2       LYS  27  -3.719   8.159   6.609
  204   2HB   LYS  27          HB1       LYS  27  -3.720   6.482   6.134
  205   1HG   LYS  27          HG2       LYS  27  -1.473   6.229   6.412
  206   2HG   LYS  27          HG1       LYS  27  -1.144   7.921   6.033
  207   1HD   LYS  27          HD2       LYS  27  -0.811   8.095   8.256
  208   2HD   LYS  27          HD1       LYS  27  -2.573   8.186   8.317
  209   1HE   LYS  27          HE2       LYS  27  -2.372   5.563   8.390
  210   2HE   LYS  27          HE1       LYS  27  -0.757   5.923   8.997
  211   1HZ   LYS  27          HZ1       LYS  27  -1.925   7.419  10.651
  212   2HZ   LYS  27          HZ2       LYS  27  -2.109   5.753  10.881
  213   3HZ   LYS  27          HZ3       LYS  27  -3.363   6.654  10.191
  214    H    CYS  28           HN       CYS  28  -1.264   6.584   4.382
  215    HA   CYS  28           HA       CYS  28  -2.109   4.092   3.321
  216   1HB   CYS  28          HB2       CYS  28  -2.104   5.976   1.372
  217   2HB   CYS  28          HB1       CYS  28  -0.442   5.408   1.263
  218    H    LYS  29           HN       LYS  29  -0.584   2.580   3.735
  219    HA   LYS  29           HA       LYS  29   2.205   3.067   3.562
  220   1HB   LYS  29          HB2       LYS  29   2.789   2.977   5.930
  221   2HB   LYS  29          HB1       LYS  29   1.791   4.384   5.587
  222   1HG   LYS  29          HG2       LYS  29  -0.123   2.645   6.286
  223   2HG   LYS  29          HG1       LYS  29   1.221   2.007   7.236
  224   1HD   LYS  29          HD2       LYS  29   1.466   4.662   7.720
  225   2HD   LYS  29          HD1       LYS  29  -0.282   4.520   7.527
  226   1HE   LYS  29          HE2       LYS  29   0.157   4.202   9.828
  227   2HE   LYS  29          HE1       LYS  29  -0.185   2.605   9.165
  228   1HZ   LYS  29          HZ1       LYS  29   1.963   1.936   9.416
  229   2HZ   LYS  29          HZ2       LYS  29   1.868   3.018  10.712
  230   3HZ   LYS  29          HZ3       LYS  29   2.603   3.495   9.266
  231    H    CYS  30           HN       CYS  30   3.406   1.230   3.745
  232    HA   CYS  30           HA       CYS  30   2.072  -1.220   3.372
  233   1HB   CYS  30          HB2       CYS  30   4.970  -0.690   4.054
  234   2HB   CYS  30          HB1       CYS  30   4.329  -2.229   3.488
  235    H    TYR  31           HN       TYR  31   3.071  -3.174   4.822
  236    HA   TYR  31           HA       TYR  31   1.852  -2.905   7.263
  237   1HB   TYR  31          HB2       TYR  31   2.775  -5.062   5.620
  238   2HB   TYR  31          HB1       TYR  31   3.273  -5.318   7.288
  239    HD1  TYR  31           HD2      TYR  31   0.171  -3.597   6.236
  240    HD2  TYR  31           HD1      TYR  31   1.877  -7.165   7.804
  241    HE1  TYR  31           HE2      TYR  31  -2.079  -4.429   6.775
  242    HE2  TYR  31           HE1      TYR  31  -0.368  -8.007   8.347
  243    HH   TYR  31           HH       TYR  31  -2.764  -6.672   8.843
  244    H    GLY  32           HN       GLY  32   3.486  -1.027   7.647
  245   1HA   GLY  32          HA2       GLY  32   5.146  -0.247   9.036
  246   2HA   GLY  32          HA1       GLY  32   5.307  -1.884   9.664
  247    H    CYS  33           HN       CYS  33   5.504  -1.922   6.305
  248    HA   CYS  33           HA       CYS  33   8.272  -2.630   6.370
  249   1HB   CYS  33          HB2       CYS  33   6.799  -1.990   3.834
  250   2HB   CYS  33          HB1       CYS  33   8.033  -3.211   4.120
  Start of MODEL   10
    1   1H    ALA   1          HT1       ALA   1  -8.111  -2.945   1.701
    2   2H    ALA   1          HT2       ALA   1  -8.109  -4.446   0.870
    3   3H    ALA   1          HT3       ALA   1  -9.551  -3.869   1.600
    4    HA   ALA   1           HA       ALA   1  -8.117  -2.708  -0.690
    5   1HB   ALA   1          HB1       ALA   1  -9.547  -4.812  -0.962
    6   2HB   ALA   1          HB2       ALA   1  -9.889  -3.446  -2.023
    7   3HB   ALA   1          HB3       ALA   1 -10.924  -3.762  -0.630
    8    H    PHE   2           HN       PHE   2  -7.975  -0.707   0.550
    9    HA   PHE   2           HA       PHE   2 -10.513   0.770   0.442
   10   1HB   PHE   2          HB2       PHE   2  -8.729   1.764   2.523
   11   2HB   PHE   2          HB1       PHE   2 -10.449   1.404   2.595
   12    HD1  PHE   2           HD2      PHE   2  -7.149  -0.324   2.529
   13    HD2  PHE   2           HD1      PHE   2 -11.163  -0.324   3.942
   14    HE1  PHE   2           HE2      PHE   2  -6.661  -2.307   3.901
   15    HE2  PHE   2           HE1      PHE   2 -10.682  -2.307   5.318
   16    HZ   PHE   2           HZ       PHE   2  -8.429  -3.301   5.297
   17    H    CYS   3           HN       CYS   3 -10.368   2.942  -0.098
   18    HA   CYS   3           HA       CYS   3  -9.573   4.506  -1.605
   19   1HB   CYS   3          HB2       CYS   3  -7.433   5.602  -0.446
   20   2HB   CYS   3          HB1       CYS   3  -9.056   5.804   0.201
   21    H    ASN   4           HN       ASN   4  -9.031   3.014  -3.277
   22    HA   ASN   4           HA       ASN   4  -7.639   1.933  -4.752
   23   1HB   ASN   4          HB2       ASN   4  -7.257   4.612  -4.835
   24   2HB   ASN   4          HB1       ASN   4  -5.612   4.076  -4.511
   25   1HD2  ASN   4          HD21      ASN   4  -5.481   1.738  -5.890
   26   2HD2  ASN   4          HD22      ASN   4  -5.656   2.039  -7.582
   27    H    LEU   5           HN       LEU   5  -7.106   0.216  -3.312
   28    HA   LEU   5           HA       LEU   5  -4.723   0.326  -1.723
   29   1HB   LEU   5          HB2       LEU   5  -6.855  -1.182  -1.487
   30   2HB   LEU   5          HB1       LEU   5  -5.988  -2.244  -2.579
   31    HG   LEU   5           HG       LEU   5  -5.131  -1.367   0.174
   32   1HD1  LEU   5          HD11      LEU   5  -5.009  -4.064   0.121
   33   2HD1  LEU   5          HD12      LEU   5  -6.354  -3.776  -0.984
   34   3HD1  LEU   5          HD13      LEU   5  -6.414  -3.146   0.662
   35   1HD2  LEU   5          HD21      LEU   5  -3.233  -3.053  -0.348
   36   2HD2  LEU   5          HD22      LEU   5  -3.100  -1.396  -0.937
   37   3HD2  LEU   5          HD23      LEU   5  -3.600  -2.683  -2.033
   38    H    ARG   6           HN       ARG   6  -5.578  -1.545  -4.643
   39    HA   ARG   6           HA       ARG   6  -3.234  -2.763  -5.209
   40   1HB   ARG   6          HB2       ARG   6  -5.488  -2.590  -6.558
   41   2HB   ARG   6          HB1       ARG   6  -4.614  -1.359  -7.460
   42   1HG   ARG   6          HG2       ARG   6  -3.584  -4.153  -7.045
   43   2HG   ARG   6          HG1       ARG   6  -4.546  -3.659  -8.440
   44   1HD   ARG   6          HD2       ARG   6  -1.885  -2.502  -7.613
   45   2HD   ARG   6          HD1       ARG   6  -2.161  -3.612  -8.954
   46    HE   ARG   6           HE       ARG   6  -2.660  -0.782  -8.912
   47   1HH1  ARG   6          HH11      ARG   6  -3.515  -3.815 -10.412
   48   2HH1  ARG   6          HH12      ARG   6  -4.068  -3.078 -11.878
   49   1HH2  ARG   6          HH21      ARG   6  -3.387   0.190 -10.839
   50   2HH2  ARG   6          HH22      ARG   6  -3.995  -0.804 -12.121
   51    H    MET   7           HN       MET   7  -4.081   0.443  -6.500
   52    HA   MET   7           HA       MET   7  -1.624   1.097  -7.585
   53   1HB   MET   7          HB2       MET   7  -3.649   2.460  -7.895
   54   2HB   MET   7          HB1       MET   7  -3.573   2.962  -6.211
   55   1HG   MET   7          HG2       MET   7  -2.646   4.761  -7.294
   56   2HG   MET   7          HG1       MET   7  -1.219   3.835  -6.833
   57   1HE   MET   7          HE1       MET   7   0.341   4.982  -8.461
   58   2HE   MET   7          HE2       MET   7  -0.914   6.063  -9.069
   59   3HE   MET   7          HE3       MET   7   0.084   5.145 -10.198
   60    H    CYS   8           HN       CYS   8  -2.772   1.511  -4.264
   61    HA   CYS   8           HA       CYS   8  -0.572   2.878  -3.224
   62   1HB   CYS   8          HB2       CYS   8  -2.814   1.346  -2.163
   63   2HB   CYS   8          HB1       CYS   8  -1.365   1.156  -1.183
   64    H    GLN   9           HN       GLN   9  -1.184  -0.588  -3.586
   65    HA   GLN   9           HA       GLN   9   1.020  -1.701  -2.382
   66   1HB   GLN   9          HB2       GLN   9  -0.869  -2.464  -4.400
   67   2HB   GLN   9          HB1       GLN   9   0.723  -3.036  -4.858
   68   1HG   GLN   9          HG2       GLN   9   0.942  -4.302  -2.869
   69   2HG   GLN   9          HG1       GLN   9  -0.473  -3.535  -2.148
   70   1HE2  GLN   9          HE21      GLN   9   0.517  -5.535  -4.892
   71   2HE2  GLN   9          HE22      GLN   9  -0.941  -6.459  -4.972
   72    H    LEU  10           HN       LEU  10   0.765  -0.214  -5.547
   73    HA   LEU  10           HA       LEU  10   3.189  -0.771  -6.634
   74   1HB   LEU  10          HB2       LEU  10   1.084   0.676  -7.369
   75   2HB   LEU  10          HB1       LEU  10   2.130   1.979  -6.882
   76    HG   LEU  10           HG       LEU  10   2.325   1.638  -9.268
   77   1HD1  LEU  10          HD11      LEU  10   4.402   1.913  -7.586
   78   2HD1  LEU  10          HD12      LEU  10   4.563   1.897  -9.342
   79   3HD1  LEU  10          HD13      LEU  10   4.873   0.429  -8.414
   80   1HD2  LEU  10          HD21      LEU  10   3.149  -1.183  -8.591
   81   2HD2  LEU  10          HD22      LEU  10   3.150  -0.460 -10.199
   82   3HD2  LEU  10          HD23      LEU  10   1.628  -0.702  -9.343
   83    H    SER  11           HN       SER  11   2.255   2.007  -4.695
   84    HA   SER  11           HA       SER  11   4.659   3.344  -4.467
   85   1HB   SER  11          HB2       SER  11   2.596   4.253  -3.534
   86   2HB   SER  11          HB1       SER  11   2.547   2.971  -2.325
   87    HG   SER  11           HG       SER  11   4.595   4.923  -2.573
   88    H    CYS  12           HN       CYS  12   3.630   0.434  -2.829
   89    HA   CYS  12           HA       CYS  12   5.893   0.370  -1.065
   90   1HB   CYS  12          HB2       CYS  12   3.460  -0.824  -1.061
   91   2HB   CYS  12          HB1       CYS  12   4.446  -2.119  -1.701
   92    H    ARG  13           HN       ARG  13   4.847  -1.178  -4.044
   93    HA   ARG  13           HA       ARG  13   6.979  -2.930  -4.441
   94   1HB   ARG  13          HB2       ARG  13   4.949  -2.954  -5.821
   95   2HB   ARG  13          HB1       ARG  13   5.397  -1.405  -6.522
   96   1HG   ARG  13          HG2       ARG  13   7.109  -2.319  -7.778
   97   2HG   ARG  13          HG1       ARG  13   7.246  -3.741  -6.742
   98   1HD   ARG  13          HD2       ARG  13   5.551  -4.831  -7.782
   99   2HD   ARG  13          HD1       ARG  13   4.659  -3.347  -8.116
  100    HE   ARG  13           HE       ARG  13   6.817  -3.171  -9.747
  101   1HH1  ARG  13          HH11      ARG  13   4.382  -5.617  -9.235
  102   2HH1  ARG  13          HH12      ARG  13   4.447  -6.201 -10.864
  103   1HH2  ARG  13          HH21      ARG  13   6.904  -3.936 -11.890
  104   2HH2  ARG  13          HH22      ARG  13   5.879  -5.247 -12.372
  105    H    LYS  14           HN       LYS  14   6.628   0.475  -5.301
  106    HA   LYS  14           HA       LYS  14   9.253   0.627  -6.479
  107   1HB   LYS  14          HB2       LYS  14   6.926   2.389  -6.184
  108   2HB   LYS  14          HB1       LYS  14   8.466   3.226  -6.040
  109   1HG   LYS  14          HG2       LYS  14   9.135   2.577  -8.205
  110   2HG   LYS  14          HG1       LYS  14   7.835   1.391  -8.331
  111   1HD   LYS  14          HD2       LYS  14   6.228   2.994  -8.721
  112   2HD   LYS  14          HD1       LYS  14   7.145   4.262  -7.906
  113   1HE   LYS  14          HE2       LYS  14   8.407   3.120 -10.309
  114   2HE   LYS  14          HE1       LYS  14   6.924   4.031 -10.591
  115   1HZ   LYS  14          HZ1       LYS  14   9.212   5.231 -10.559
  116   2HZ   LYS  14          HZ2       LYS  14   9.012   5.190  -8.880
  117   3HZ   LYS  14          HZ3       LYS  14   7.864   5.968  -9.848
  118    H    SER  15           HN       SER  15   7.701   2.075  -3.605
  119    HA   SER  15           HA       SER  15  10.043   3.174  -2.529
  120   1HB   SER  15          HB2       SER  15   7.755   3.805  -1.815
  121   2HB   SER  15          HB1       SER  15   7.596   2.241  -1.015
  122    HG   SER  15           HG       SER  15   9.539   4.224  -0.419
  123    H    LEU  16           HN       LEU  16   8.313   0.316  -1.251
  124    HA   LEU  16           HA       LEU  16  10.937  -0.754  -0.431
  125   1HB   LEU  16          HB2       LEU  16   8.386  -0.489   1.017
  126   2HB   LEU  16          HB1       LEU  16   9.195  -2.032   1.215
  127    HG   LEU  16           HG       LEU  16  10.856   0.397   1.582
  128   1HD1  LEU  16          HD11      LEU  16  10.039   0.977   3.676
  129   2HD1  LEU  16          HD12      LEU  16   9.104  -0.510   3.833
  130   3HD1  LEU  16          HD13      LEU  16   8.574   0.751   2.721
  131   1HD2  LEU  16          HD21      LEU  16  11.360  -2.202   1.861
  132   2HD2  LEU  16          HD22      LEU  16  10.755  -1.871   3.484
  133   3HD2  LEU  16          HD23      LEU  16  12.138  -0.974   2.859
  134    H    GLY  17           HN       GLY  17   7.813  -2.417  -0.286
  135   1HA   GLY  17          HA2       GLY  17   7.540  -3.816  -2.535
  136   2HA   GLY  17          HA1       GLY  17   8.962  -4.598  -1.856
  137    H    CYS  18           HN       CYS  18   6.815  -3.571   0.591
  138    HA   CYS  18           HA       CYS  18   5.886  -6.314   0.582
  139   1HB   CYS  18          HB2       CYS  18   5.204  -4.346   2.706
  140   2HB   CYS  18          HB1       CYS  18   4.896  -6.083   2.560
  141    H    LEU  19           HN       LEU  19   4.596  -6.474  -0.770
  142    HA   LEU  19           HA       LEU  19   2.737  -4.991  -1.946
  143   1HB   LEU  19          HB2       LEU  19   2.093  -7.809  -1.447
  144   2HB   LEU  19          HB1       LEU  19   2.185  -6.907  -2.908
  145    HG   LEU  19           HG       LEU  19   4.498  -8.124  -1.472
  146   1HD1  LEU  19          HD11      LEU  19   4.550  -9.742  -3.089
  147   2HD1  LEU  19          HD12      LEU  19   3.686  -8.751  -4.265
  148   3HD1  LEU  19          HD13      LEU  19   2.812  -9.491  -2.924
  149   1HD2  LEU  19          HD21      LEU  19   4.837  -5.853  -2.680
  150   2HD2  LEU  19          HD22      LEU  19   4.640  -6.798  -4.155
  151   3HD2  LEU  19          HD23      LEU  19   5.943  -7.180  -3.031
  152    H    LEU  20           HN       LEU  20   2.557  -6.543   1.177
  153    HA   LEU  20           HA       LEU  20  -0.312  -6.132   1.406
  154   1HB   LEU  20          HB2       LEU  20   0.110  -7.020   3.757
  155   2HB   LEU  20          HB1       LEU  20   0.366  -8.123   2.420
  156    HG   LEU  20           HG       LEU  20   2.746  -6.629   3.359
  157   1HD1  LEU  20          HD11      LEU  20   1.212  -7.605   5.336
  158   2HD1  LEU  20          HD12      LEU  20   2.975  -7.581   5.391
  159   3HD1  LEU  20          HD13      LEU  20   2.127  -9.053   4.918
  160   1HD2  LEU  20          HD21      LEU  20   2.706  -9.558   3.019
  161   2HD2  LEU  20          HD22      LEU  20   3.870  -8.362   2.449
  162   3HD2  LEU  20          HD23      LEU  20   2.356  -8.604   1.578
  163    H    GLY  21           HN       GLY  21  -1.250  -4.926   3.133
  164   1HA   GLY  21          HA2       GLY  21  -0.024  -3.260   4.890
  165   2HA   GLY  21          HA1       GLY  21  -0.121  -2.328   3.414
  166    H    LYS  22           HN       LYS  22  -1.414  -0.864   4.447
  167    HA   LYS  22           HA       LYS  22  -4.241  -1.545   4.374
  168   1HB   LYS  22          HB2       LYS  22  -2.831  -0.648   6.879
  169   2HB   LYS  22          HB1       LYS  22  -4.553  -0.382   6.641
  170   1HG   LYS  22          HG2       LYS  22  -3.242  -3.087   6.516
  171   2HG   LYS  22          HG1       LYS  22  -3.982  -2.409   7.968
  172   1HD   LYS  22          HD2       LYS  22  -5.409  -2.852   5.347
  173   2HD   LYS  22          HD1       LYS  22  -5.489  -3.937   6.736
  174   1HE   LYS  22          HE2       LYS  22  -6.527  -1.129   6.491
  175   2HE   LYS  22          HE1       LYS  22  -7.422  -2.600   6.869
  176   1HZ   LYS  22          HZ1       LYS  22  -5.698  -0.978   8.603
  177   2HZ   LYS  22          HZ2       LYS  22  -5.829  -2.636   8.912
  178   3HZ   LYS  22          HZ3       LYS  22  -7.211  -1.662   8.927
  179    H    CYS  23           HN       CYS  23  -5.559   0.161   3.927
  180    HA   CYS  23           HA       CYS  23  -4.202   2.723   3.402
  181   1HB   CYS  23          HB2       CYS  23  -5.177   1.461   1.439
  182   2HB   CYS  23          HB1       CYS  23  -6.767   1.749   2.137
  183    H    ILE  24           HN       ILE  24  -5.324   4.684   3.835
  184    HA   ILE  24           HA       ILE  24  -7.659   4.520   5.620
  185    HB   ILE  24           HB       ILE  24  -5.374   6.348   6.240
  186   1HG1  ILE  24          HG12      ILE  24  -4.900   4.636   8.122
  187   2HG1  ILE  24          HG11      ILE  24  -5.756   3.489   7.099
  188   1HG2  ILE  24          HG21      ILE  24  -7.892   5.503   7.562
  189   2HG2  ILE  24          HG22      ILE  24  -7.171   7.107   7.421
  190   3HG2  ILE  24          HG23      ILE  24  -6.515   5.944   8.572
  191   1HD1  ILE  24          HD11      ILE  24  -3.051   4.508   6.901
  192   2HD1  ILE  24          HD12      ILE  24  -3.935   4.618   5.382
  193   3HD1  ILE  24          HD13      ILE  24  -3.775   3.064   6.197
  194    H    GLY  25           HN       GLY  25  -8.432   6.580   6.023
  195   1HA   GLY  25          HA2       GLY  25  -9.936   7.924   4.571
  196   2HA   GLY  25          HA1       GLY  25  -8.670   8.823   5.413
  197    H    ASP  26           HN       ASP  26  -6.789   8.866   4.608
  198    HA   ASP  26           HA       ASP  26  -6.549   9.088   1.703
  199   1HB   ASP  26          HB2       ASP  26  -6.349  11.375   3.626
  200   2HB   ASP  26          HB1       ASP  26  -5.317  11.367   2.198
  201    H    LYS  27           HN       LYS  27  -5.515   7.662   4.267
  202    HA   LYS  27           HA       LYS  27  -2.667   8.058   3.770
  203   1HB   LYS  27          HB2       LYS  27  -3.809   8.247   6.072
  204   2HB   LYS  27          HB1       LYS  27  -3.850   6.509   5.942
  205   1HG   LYS  27          HG2       LYS  27  -1.634   6.270   6.303
  206   2HG   LYS  27          HG1       LYS  27  -1.242   7.759   5.440
  207   1HD   LYS  27          HD2       LYS  27  -2.567   7.743   8.142
  208   2HD   LYS  27          HD1       LYS  27  -0.814   7.760   7.939
  209   1HE   LYS  27          HE2       LYS  27  -0.783   9.912   7.244
  210   2HE   LYS  27          HE1       LYS  27  -2.314   9.766   6.383
  211   1HZ   LYS  27          HZ1       LYS  27  -2.052  11.147   8.618
  212   2HZ   LYS  27          HZ2       LYS  27  -2.436   9.644   9.290
  213   3HZ   LYS  27          HZ3       LYS  27  -3.495  10.374   8.192
  214    H    CYS  28           HN       CYS  28  -1.434   6.238   4.153
  215    HA   CYS  28           HA       CYS  28  -2.372   3.609   3.507
  216   1HB   CYS  28          HB2       CYS  28  -1.963   5.244   1.310
  217   2HB   CYS  28          HB1       CYS  28  -0.458   4.339   1.422
  218    H    LYS  29           HN       LYS  29  -0.962   2.096   4.225
  219    HA   LYS  29           HA       LYS  29   1.865   2.673   4.417
  220   1HB   LYS  29          HB2       LYS  29   0.442   3.495   6.543
  221   2HB   LYS  29          HB1       LYS  29   0.693   1.817   7.004
  222   1HG   LYS  29          HG2       LYS  29   2.967   2.067   7.205
  223   2HG   LYS  29          HG1       LYS  29   3.022   3.438   6.094
  224   1HD   LYS  29          HD2       LYS  29   3.224   4.646   7.985
  225   2HD   LYS  29          HD1       LYS  29   1.473   4.450   8.071
  226   1HE   LYS  29          HE2       LYS  29   1.588   3.016   9.811
  227   2HE   LYS  29          HE1       LYS  29   3.060   2.250   9.217
  228   1HZ   LYS  29          HZ1       LYS  29   4.375   3.967  10.113
  229   2HZ   LYS  29          HZ2       LYS  29   3.277   3.557  11.332
  230   3HZ   LYS  29          HZ3       LYS  29   3.038   4.959  10.416
  231    H    CYS  30           HN       CYS  30   3.012   0.873   4.113
  232    HA   CYS  30           HA       CYS  30   1.690  -1.609   3.678
  233   1HB   CYS  30          HB2       CYS  30   4.661  -1.115   3.916
  234   2HB   CYS  30          HB1       CYS  30   3.877  -2.479   3.129
  235    H    TYR  31           HN       TYR  31   2.565  -3.660   4.748
  236    HA   TYR  31           HA       TYR  31   2.206  -3.414   7.460
  237   1HB   TYR  31          HB2       TYR  31   2.084  -5.575   5.520
  238   2HB   TYR  31          HB1       TYR  31   2.689  -6.068   7.098
  239    HD1  TYR  31           HD2      TYR  31   1.238  -5.169   9.138
  240    HD2  TYR  31           HD1      TYR  31  -0.194  -5.651   5.162
  241    HE1  TYR  31           HE2      TYR  31  -1.066  -5.282   9.988
  242    HE2  TYR  31           HE1      TYR  31  -2.503  -5.764   6.000
  243    HH   TYR  31           HH       TYR  31  -3.233  -6.099   9.334
  244    H    GLY  32           HN       GLY  32   4.458  -5.638   5.956
  245   1HA   GLY  32          HA2       GLY  32   6.396  -5.213   8.031
  246   2HA   GLY  32          HA1       GLY  32   6.579  -6.256   6.627
  247    H    CYS  33           HN       CYS  33   5.625  -3.481   5.268
  248    HA   CYS  33           HA       CYS  33   8.380  -2.422   5.120
  249   1HB   CYS  33          HB2       CYS  33   6.342  -2.773   2.924
  250   2HB   CYS  33          HB1       CYS  33   7.760  -1.746   2.752
  Start of MODEL   11
    1   1H    ALA   1          HT1       ALA   1 -15.225  -1.623  -1.961
    2   2H    ALA   1          HT2       ALA   1 -14.294  -1.708  -0.521
    3   3H    ALA   1          HT3       ALA   1 -13.538  -1.914  -2.048
    4    HA   ALA   1           HA       ALA   1 -13.814   0.280  -2.622
    5   1HB   ALA   1          HB1       ALA   1 -16.125   0.492  -1.827
    6   2HB   ALA   1          HB2       ALA   1 -15.126   1.854  -1.318
    7   3HB   ALA   1          HB3       ALA   1 -15.538   0.583  -0.166
    8    H    PHE   2           HN       PHE   2 -11.724   0.725  -2.316
    9    HA   PHE   2           HA       PHE   2 -10.863   1.457   0.388
   10   1HB   PHE   2          HB2       PHE   2 -10.031  -0.893  -0.941
   11   2HB   PHE   2          HB1       PHE   2  -8.670   0.222  -1.005
   12    HD1  PHE   2           HD1      PHE   2  -8.097   1.403   1.265
   13    HD2  PHE   2           HD2      PHE   2 -10.291  -2.226   0.912
   14    HE1  PHE   2           HE1      PHE   2  -7.515   0.830   3.586
   15    HE2  PHE   2           HE2      PHE   2  -9.714  -2.805   3.233
   16    HZ   PHE   2           HZ       PHE   2  -8.324  -1.276   4.573
   17    H    CYS   3           HN       CYS   3  -9.094   2.923   0.456
   18    HA   CYS   3           HA       CYS   3  -9.120   4.812  -1.685
   19   1HB   CYS   3          HB2       CYS   3  -7.140   5.801  -0.241
   20   2HB   CYS   3          HB1       CYS   3  -8.805   5.922   0.309
   21    H    ASN   4           HN       ASN   4  -8.439   3.394  -3.372
   22    HA   ASN   4           HA       ASN   4  -6.923   2.352  -4.747
   23   1HB   ASN   4          HB2       ASN   4  -5.828   5.010  -3.997
   24   2HB   ASN   4          HB1       ASN   4  -4.741   3.916  -4.848
   25   1HD2  ASN   4          HD21      ASN   4  -5.029   3.544  -6.980
   26   2HD2  ASN   4          HD22      ASN   4  -6.243   4.311  -7.941
   27    H    LEU   5           HN       LEU   5  -6.657   0.551  -3.333
   28    HA   LEU   5           HA       LEU   5  -4.416   0.459  -1.531
   29   1HB   LEU   5          HB2       LEU   5  -6.720  -0.907  -1.620
   30   2HB   LEU   5          HB1       LEU   5  -5.694  -2.046  -2.471
   31    HG   LEU   5           HG       LEU   5  -5.883  -2.514  -0.046
   32   1HD1  LEU   5          HD11      LEU   5  -3.964  -3.362  -1.170
   33   2HD1  LEU   5          HD12      LEU   5  -3.422  -2.691   0.367
   34   3HD1  LEU   5          HD13      LEU   5  -3.169  -1.789  -1.127
   35   1HD2  LEU   5          HD21      LEU   5  -5.782   0.132   0.342
   36   2HD2  LEU   5          HD22      LEU   5  -4.085  -0.264   0.615
   37   3HD2  LEU   5          HD23      LEU   5  -5.338  -1.040   1.583
   38    H    ARG   6           HN       ARG   6  -5.186  -1.586  -4.350
   39    HA   ARG   6           HA       ARG   6  -2.807  -2.802  -4.745
   40   1HB   ARG   6          HB2       ARG   6  -3.350  -2.627  -7.263
   41   2HB   ARG   6          HB1       ARG   6  -4.497  -3.447  -6.214
   42   1HG   ARG   6          HG2       ARG   6  -6.064  -2.139  -7.077
   43   2HG   ARG   6          HG1       ARG   6  -5.330  -0.801  -6.194
   44   1HD   ARG   6          HD2       ARG   6  -3.801  -0.486  -8.173
   45   2HD   ARG   6          HD1       ARG   6  -4.813  -1.642  -9.038
   46    HE   ARG   6           HE       ARG   6  -5.436   1.097  -8.429
   47   1HH1  ARG   6          HH11      ARG   6  -6.768  -2.043  -9.168
   48   2HH1  ARG   6          HH12      ARG   6  -8.258  -1.406  -9.779
   49   1HH2  ARG   6          HH21      ARG   6  -7.395   1.937  -9.232
   50   2HH2  ARG   6          HH22      ARG   6  -8.614   0.853  -9.816
   51    H    MET   7           HN       MET   7  -3.669   0.289  -6.303
   52    HA   MET   7           HA       MET   7  -1.229   0.847  -7.469
   53   1HB   MET   7          HB2       MET   7  -3.538   2.165  -7.416
   54   2HB   MET   7          HB1       MET   7  -2.710   3.094  -6.174
   55   1HG   MET   7          HG2       MET   7  -1.233   2.631  -8.688
   56   2HG   MET   7          HG1       MET   7  -2.625   3.709  -8.767
   57   1HE   MET   7          HE1       MET   7  -2.214   6.317  -8.436
   58   2HE   MET   7          HE2       MET   7  -1.695   6.769  -6.812
   59   3HE   MET   7          HE3       MET   7  -3.005   5.608  -7.028
   60    H    CYS   8           HN       CYS   8  -2.344   1.578  -4.194
   61    HA   CYS   8           HA       CYS   8  -0.069   2.933  -3.289
   62   1HB   CYS   8          HB2       CYS   8  -2.382   1.615  -2.079
   63   2HB   CYS   8          HB1       CYS   8  -0.938   1.492  -1.081
   64    H    GLN   9           HN       GLN   9  -0.870  -0.508  -3.354
   65    HA   GLN   9           HA       GLN   9   1.271  -1.625  -2.029
   66   1HB   GLN   9          HB2       GLN   9  -0.675  -2.465  -3.959
   67   2HB   GLN   9          HB1       GLN   9   0.878  -3.166  -4.371
   68   1HG   GLN   9          HG2       GLN   9   0.359  -4.770  -2.921
   69   2HG   GLN   9          HG1       GLN   9   0.739  -3.587  -1.671
   70   1HE2  GLN   9          HE21      GLN   9  -0.755  -4.893  -0.400
   71   2HE2  GLN   9          HE22      GLN   9  -2.449  -4.571  -0.510
   72    H    LEU  10           HN       LEU  10   1.074  -0.425  -5.311
   73    HA   LEU  10           HA       LEU  10   3.441  -1.223  -6.370
   74   1HB   LEU  10          HB2       LEU  10   1.417   0.300  -7.184
   75   2HB   LEU  10          HB1       LEU  10   2.562   1.560  -6.832
   76    HG   LEU  10           HG       LEU  10   3.487  -0.690  -8.543
   77   1HD1  LEU  10          HD11      LEU  10   2.444   0.037 -10.485
   78   2HD1  LEU  10          HD12      LEU  10   1.977   1.582  -9.774
   79   3HD1  LEU  10          HD13      LEU  10   1.151   0.102  -9.287
   80   1HD2  LEU  10          HD21      LEU  10   4.673   1.191  -9.658
   81   2HD2  LEU  10          HD22      LEU  10   5.076   1.004  -7.951
   82   3HD2  LEU  10          HD23      LEU  10   3.973   2.283  -8.463
   83    H    SER  11           HN       SER  11   2.720   1.742  -4.630
   84    HA   SER  11           HA       SER  11   5.202   2.949  -4.570
   85   1HB   SER  11          HB2       SER  11   4.430   4.251  -2.767
   86   2HB   SER  11          HB1       SER  11   2.948   3.767  -3.590
   87    HG   SER  11           HG       SER  11   3.730   3.256  -1.069
   88    H    CYS  12           HN       CYS  12   4.015   0.300  -2.604
   89    HA   CYS  12           HA       CYS  12   6.335   0.226  -0.917
   90   1HB   CYS  12          HB2       CYS  12   3.804  -0.748  -0.753
   91   2HB   CYS  12          HB1       CYS  12   4.677  -2.182  -1.235
   92    H    ARG  13           HN       ARG  13   5.084  -1.439  -3.728
   93    HA   ARG  13           HA       ARG  13   7.041  -3.436  -3.974
   94   1HB   ARG  13          HB2       ARG  13   4.918  -3.412  -5.244
   95   2HB   ARG  13          HB1       ARG  13   5.511  -2.050  -6.186
   96   1HG   ARG  13          HG2       ARG  13   7.505  -3.718  -6.669
   97   2HG   ARG  13          HG1       ARG  13   6.261  -4.916  -6.308
   98   1HD   ARG  13          HD2       ARG  13   5.921  -4.676  -8.552
   99   2HD   ARG  13          HD1       ARG  13   4.838  -3.421  -7.952
  100    HE   ARG  13           HE       ARG  13   7.337  -2.259  -8.356
  101   1HH1  ARG  13          HH11      ARG  13   4.803  -3.735 -10.248
  102   2HH1  ARG  13          HH12      ARG  13   5.148  -2.805 -11.666
  103   1HH2  ARG  13          HH21      ARG  13   7.792  -1.034 -10.221
  104   2HH2  ARG  13          HH22      ARG  13   6.846  -1.271 -11.652
  105    H    LYS  14           HN       LYS  14   6.860  -0.198  -5.416
  106    HA   LYS  14           HA       LYS  14   9.415  -0.388  -6.678
  107   1HB   LYS  14          HB2       LYS  14   7.278   1.611  -6.425
  108   2HB   LYS  14          HB1       LYS  14   8.893   2.303  -6.499
  109   1HG   LYS  14          HG2       LYS  14   9.320   1.198  -8.598
  110   2HG   LYS  14          HG1       LYS  14   7.768   0.363  -8.508
  111   1HD   LYS  14          HD2       LYS  14   6.558   2.294  -8.936
  112   2HD   LYS  14          HD1       LYS  14   7.871   3.351  -8.413
  113   1HE   LYS  14          HE2       LYS  14   7.431   3.263 -10.903
  114   2HE   LYS  14          HE1       LYS  14   9.095   2.977 -10.395
  115   1HZ   LYS  14          HZ1       LYS  14   8.300   1.411 -12.108
  116   2HZ   LYS  14          HZ2       LYS  14   7.145   0.827 -11.019
  117   3HZ   LYS  14          HZ3       LYS  14   8.793   0.635 -10.687
  118    H    SER  15           HN       SER  15   8.217   1.514  -3.899
  119    HA   SER  15           HA       SER  15  10.674   2.553  -3.099
  120   1HB   SER  15          HB2       SER  15   8.489   3.304  -2.207
  121   2HB   SER  15          HB1       SER  15   8.358   1.796  -1.303
  122    HG   SER  15           HG       SER  15   9.480   2.744   0.183
  123    H    LEU  16           HN       LEU  16   9.097  -0.476  -2.088
  124    HA   LEU  16           HA       LEU  16  11.715  -1.552  -1.408
  125   1HB   LEU  16          HB2       LEU  16   9.479  -1.182   0.555
  126   2HB   LEU  16          HB1       LEU  16  10.644  -2.476   0.760
  127    HG   LEU  16           HG       LEU  16  12.361  -0.452   0.476
  128   1HD1  LEU  16          HD11      LEU  16  11.169   1.457   0.288
  129   2HD1  LEU  16          HD12      LEU  16  11.139   1.342   2.048
  130   3HD1  LEU  16          HD13      LEU  16   9.756   0.786   1.104
  131   1HD2  LEU  16          HD21      LEU  16  11.651  -2.105   2.473
  132   2HD2  LEU  16          HD22      LEU  16  11.156  -0.561   3.166
  133   3HD2  LEU  16          HD23      LEU  16  12.827  -0.804   2.657
  134    H    GLY  17           HN       GLY  17   8.625  -2.874  -0.319
  135   1HA   GLY  17          HA2       GLY  17   7.711  -4.439  -2.319
  136   2HA   GLY  17          HA1       GLY  17   9.155  -5.313  -1.807
  137    H    CYS  18           HN       CYS  18   6.720  -3.481  -0.025
  138    HA   CYS  18           HA       CYS  18   6.038  -6.056   1.139
  139   1HB   CYS  18          HB2       CYS  18   5.338  -3.573   2.574
  140   2HB   CYS  18          HB1       CYS  18   5.336  -5.282   3.020
  141    H    LEU  19           HN       LEU  19   4.735  -6.612  -0.017
  142    HA   LEU  19           HA       LEU  19   2.790  -5.551  -1.503
  143   1HB   LEU  19          HB2       LEU  19   2.273  -8.156  -0.268
  144   2HB   LEU  19          HB1       LEU  19   2.307  -7.663  -1.910
  145    HG   LEU  19           HG       LEU  19   3.973  -9.264  -1.755
  146   1HD1  LEU  19          HD11      LEU  19   6.087  -7.493  -1.613
  147   2HD1  LEU  19          HD12      LEU  19   4.733  -6.504  -2.157
  148   3HD1  LEU  19          HD13      LEU  19   5.186  -7.950  -3.058
  149   1HD2  LEU  19          HD21      LEU  19   5.802  -8.318   0.161
  150   2HD2  LEU  19          HD22      LEU  19   4.830  -9.788   0.216
  151   3HD2  LEU  19          HD23      LEU  19   4.212  -8.295   0.923
  152    H    LEU  20           HN       LEU  20   1.948  -7.461   1.394
  153    HA   LEU  20           HA       LEU  20  -0.623  -6.402   1.655
  154   1HB   LEU  20          HB2       LEU  20   0.859  -8.379   2.878
  155   2HB   LEU  20          HB1       LEU  20   0.601  -7.230   4.174
  156    HG   LEU  20           HG       LEU  20  -1.076  -9.113   3.969
  157   1HD1  LEU  20          HD11      LEU  20  -2.654  -6.643   3.760
  158   2HD1  LEU  20          HD12      LEU  20  -1.326  -6.599   4.921
  159   3HD1  LEU  20          HD13      LEU  20  -2.574  -7.838   5.055
  160   1HD2  LEU  20          HD21      LEU  20  -2.625  -9.192   2.274
  161   2HD2  LEU  20          HD22      LEU  20  -1.182  -8.690   1.393
  162   3HD2  LEU  20          HD23      LEU  20  -2.401  -7.497   1.843
  163    H    GLY  21           HN       GLY  21  -1.503  -5.070   3.319
  164   1HA   GLY  21          HA2       GLY  21  -0.136  -3.501   5.068
  165   2HA   GLY  21          HA1       GLY  21  -0.180  -2.587   3.579
  166    H    LYS  22           HN       LYS  22  -1.346  -1.014   4.604
  167    HA   LYS  22           HA       LYS  22  -4.218  -1.471   4.576
  168   1HB   LYS  22          HB2       LYS  22  -2.838  -0.376   7.035
  169   2HB   LYS  22          HB1       LYS  22  -4.576  -0.481   6.795
  170   1HG   LYS  22          HG2       LYS  22  -2.735  -2.861   6.849
  171   2HG   LYS  22          HG1       LYS  22  -3.632  -2.259   8.244
  172   1HD   LYS  22          HD2       LYS  22  -5.727  -2.692   7.159
  173   2HD   LYS  22          HD1       LYS  22  -4.912  -3.109   5.650
  174   1HE   LYS  22          HE2       LYS  22  -4.522  -4.610   8.232
  175   2HE   LYS  22          HE1       LYS  22  -5.710  -5.063   7.011
  176   1HZ   LYS  22          HZ1       LYS  22  -3.231  -6.014   7.069
  177   2HZ   LYS  22          HZ2       LYS  22  -2.993  -4.678   6.059
  178   3HZ   LYS  22          HZ3       LYS  22  -4.130  -5.859   5.643
  179    H    CYS  23           HN       CYS  23  -5.382   0.323   4.052
  180    HA   CYS  23           HA       CYS  23  -3.816   2.750   3.487
  181   1HB   CYS  23          HB2       CYS  23  -4.860   1.653   1.528
  182   2HB   CYS  23          HB1       CYS  23  -6.442   1.872   2.269
  183    H    ILE  24           HN       ILE  24  -4.773   4.811   3.852
  184    HA   ILE  24           HA       ILE  24  -7.033   4.903   5.743
  185    HB   ILE  24           HB       ILE  24  -4.834   6.812   6.190
  186   1HG1  ILE  24          HG12      ILE  24  -3.611   4.665   5.978
  187   2HG1  ILE  24          HG11      ILE  24  -3.577   5.285   7.626
  188   1HG2  ILE  24          HG21      ILE  24  -6.445   7.217   7.715
  189   2HG2  ILE  24          HG22      ILE  24  -5.612   5.946   8.610
  190   3HG2  ILE  24          HG23      ILE  24  -7.054   5.563   7.670
  191   1HD1  ILE  24          HD11      ILE  24  -4.510   3.437   8.404
  192   2HD1  ILE  24          HD12      ILE  24  -4.319   2.741   6.795
  193   3HD1  ILE  24          HD13      ILE  24  -5.829   3.538   7.237
  194    H    GLY  25           HN       GLY  25  -7.596   7.044   6.092
  195   1HA   GLY  25          HA2       GLY  25  -9.121   8.388   4.615
  196   2HA   GLY  25          HA1       GLY  25  -7.768   9.252   5.353
  197    H    ASP  26           HN       ASP  26  -5.911   9.139   4.458
  198    HA   ASP  26           HA       ASP  26  -5.799   9.167   1.538
  199   1HB   ASP  26          HB2       ASP  26  -4.515  11.368   1.652
  200   2HB   ASP  26          HB1       ASP  26  -6.252  11.475   1.917
  201    H    LYS  27           HN       LYS  27  -4.759   7.813   4.137
  202    HA   LYS  27           HA       LYS  27  -1.910   7.983   3.533
  203   1HB   LYS  27          HB2       LYS  27  -2.978   8.359   5.853
  204   2HB   LYS  27          HB1       LYS  27  -3.120   6.622   5.810
  205   1HG   LYS  27          HG2       LYS  27  -0.866   6.268   5.988
  206   2HG   LYS  27          HG1       LYS  27  -0.473   7.820   5.245
  207   1HD   LYS  27          HD2       LYS  27  -1.263   8.961   7.288
  208   2HD   LYS  27          HD1       LYS  27  -1.561   7.386   8.027
  209   1HE   LYS  27          HE2       LYS  27   0.697   6.887   8.181
  210   2HE   LYS  27          HE1       LYS  27   1.139   8.038   6.921
  211   1HZ   LYS  27          HZ1       LYS  27   1.214   9.737   8.376
  212   2HZ   LYS  27          HZ2       LYS  27   1.474   8.508   9.509
  213   3HZ   LYS  27          HZ3       LYS  27  -0.073   9.162   9.311
  214    H    CYS  28           HN       CYS  28  -0.784   6.107   3.970
  215    HA   CYS  28           HA       CYS  28  -1.974   3.539   3.381
  216   1HB   CYS  28          HB2       CYS  28  -0.681   5.135   1.289
  217   2HB   CYS  28          HB1       CYS  28  -0.017   3.512   1.443
  218    H    LYS  29           HN       LYS  29  -0.829   1.925   4.286
  219    HA   LYS  29           HA       LYS  29   2.020   2.245   4.771
  220   1HB   LYS  29          HB2       LYS  29   0.400   3.075   6.748
  221   2HB   LYS  29          HB1       LYS  29   0.475   1.364   7.145
  222   1HG   LYS  29          HG2       LYS  29   2.165   2.510   8.382
  223   2HG   LYS  29          HG1       LYS  29   2.951   1.527   7.145
  224   1HD   LYS  29          HD2       LYS  29   2.629   3.863   5.811
  225   2HD   LYS  29          HD1       LYS  29   2.845   4.452   7.460
  226   1HE   LYS  29          HE2       LYS  29   5.003   3.767   7.566
  227   2HE   LYS  29          HE1       LYS  29   4.716   2.351   6.555
  228   1HZ   LYS  29          HZ1       LYS  29   4.363   4.296   4.781
  229   2HZ   LYS  29          HZ2       LYS  29   5.861   3.564   5.066
  230   3HZ   LYS  29          HZ3       LYS  29   5.492   5.045   5.796
  231    H    CYS  30           HN       CYS  30   3.063   0.381   4.503
  232    HA   CYS  30           HA       CYS  30   1.560  -2.002   3.919
  233   1HB   CYS  30          HB2       CYS  30   4.563  -1.770   4.076
  234   2HB   CYS  30          HB1       CYS  30   3.609  -2.917   3.139
  235    H    TYR  31           HN       TYR  31   2.375  -4.148   4.928
  236    HA   TYR  31           HA       TYR  31   3.315  -3.990   7.507
  237   1HB   TYR  31          HB2       TYR  31   0.516  -4.668   6.836
  238   2HB   TYR  31          HB1       TYR  31   1.240  -5.298   8.316
  239    HD1  TYR  31           HD1      TYR  31   2.189  -3.560   9.973
  240    HD2  TYR  31           HD2      TYR  31  -0.466  -2.563   6.802
  241    HE1  TYR  31           HE1      TYR  31   1.597  -1.473  11.131
  242    HE2  TYR  31           HE2      TYR  31  -1.064  -0.473   7.950
  243    HH   TYR  31           HH       TYR  31   0.329   1.061   9.822
  244    H    GLY  32           HN       GLY  32   1.746  -6.034   5.126
  245   1HA   GLY  32          HA2       GLY  32   2.312  -8.551   5.944
  246   2HA   GLY  32          HA1       GLY  32   2.391  -8.075   4.257
  247    H    CYS  33           HN       CYS  33   4.662  -6.240   4.786
  248    HA   CYS  33           HA       CYS  33   6.757  -8.204   5.401
  249   1HB   CYS  33          HB2       CYS  33   7.330  -8.303   3.242
  250   2HB   CYS  33          HB1       CYS  33   6.161  -7.062   2.824
  Start of MODEL   12
    1   1H    ALA   1          HT1       ALA   1 -15.283   1.610  -0.492
    2   2H    ALA   1          HT2       ALA   1 -15.083   0.042   0.176
    3   3H    ALA   1          HT3       ALA   1 -15.926   0.245  -1.306
    4    HA   ALA   1           HA       ALA   1 -13.717  -0.611  -1.618
    5   1HB   ALA   1          HB1       ALA   1 -12.989   1.210  -3.231
    6   2HB   ALA   1          HB2       ALA   1 -14.390   2.122  -2.670
    7   3HB   ALA   1          HB3       ALA   1 -14.613   0.558  -3.453
    8    H    PHE   2           HN       PHE   2 -11.410   0.152  -1.907
    9    HA   PHE   2           HA       PHE   2 -10.580   1.548   0.543
   10   1HB   PHE   2          HB2       PHE   2  -9.681  -0.854  -0.747
   11   2HB   PHE   2          HB1       PHE   2  -8.352   0.298  -0.677
   12    HD1  PHE   2           HD2      PHE   2  -8.856   1.680   1.847
   13    HD2  PHE   2           HD1      PHE   2  -9.218  -2.444   0.862
   14    HE1  PHE   2           HE2      PHE   2  -8.463   1.087   4.202
   15    HE2  PHE   2           HE1      PHE   2  -8.828  -3.045   3.216
   16    HZ   PHE   2           HZ       PHE   2  -8.449  -1.278   4.889
   17    H    CYS   3           HN       CYS   3  -8.947   3.115   0.472
   18    HA   CYS   3           HA       CYS   3  -9.027   4.833  -1.772
   19   1HB   CYS   3          HB2       CYS   3  -6.944   5.871  -0.491
   20   2HB   CYS   3          HB1       CYS   3  -8.584   6.070   0.109
   21    H    ASN   4           HN       ASN   4  -8.435   3.355  -3.438
   22    HA   ASN   4           HA       ASN   4  -6.999   2.244  -4.844
   23   1HB   ASN   4          HB2       ASN   4  -5.093   3.669  -5.568
   24   2HB   ASN   4          HB1       ASN   4  -6.618   4.546  -5.496
   25   1HD2  ASN   4          HD21      ASN   4  -3.415   4.350  -4.383
   26   2HD2  ASN   4          HD22      ASN   4  -3.465   5.681  -3.283
   27    H    LEU   5           HN       LEU   5  -6.632   0.501  -3.382
   28    HA   LEU   5           HA       LEU   5  -4.292   0.495  -1.708
   29   1HB   LEU   5          HB2       LEU   5  -6.554  -0.867  -1.537
   30   2HB   LEU   5          HB1       LEU   5  -5.670  -2.021  -2.518
   31    HG   LEU   5           HG       LEU   5  -5.573  -2.508  -0.089
   32   1HD1  LEU   5          HD11      LEU   5  -3.377  -3.221  -0.125
   33   2HD1  LEU   5          HD12      LEU   5  -2.813  -1.779  -0.968
   34   3HD1  LEU   5          HD13      LEU   5  -3.727  -3.009  -1.840
   35   1HD2  LEU   5          HD21      LEU   5  -4.526  -1.112   1.451
   36   2HD2  LEU   5          HD22      LEU   5  -5.491   0.000   0.479
   37   3HD2  LEU   5          HD23      LEU   5  -3.756  -0.143   0.195
   38    H    ARG   6           HN       ARG   6  -5.218  -1.466  -4.545
   39    HA   ARG   6           HA       ARG   6  -2.918  -2.798  -5.032
   40   1HB   ARG   6          HB2       ARG   6  -4.758  -1.487  -7.034
   41   2HB   ARG   6          HB1       ARG   6  -3.484  -2.611  -7.485
   42   1HG   ARG   6          HG2       ARG   6  -4.630  -4.210  -5.806
   43   2HG   ARG   6          HG1       ARG   6  -6.014  -3.130  -5.985
   44   1HD   ARG   6          HD2       ARG   6  -4.633  -4.181  -8.416
   45   2HD   ARG   6          HD1       ARG   6  -5.757  -5.217  -7.537
   46    HE   ARG   6           HE       ARG   6  -7.157  -2.924  -7.893
   47   1HH1  ARG   6          HH11      ARG   6  -5.430  -5.046 -10.060
   48   2HH1  ARG   6          HH12      ARG   6  -6.457  -4.707 -11.412
   49   1HH2  ARG   6          HH21      ARG   6  -8.510  -2.477  -9.670
   50   2HH2  ARG   6          HH22      ARG   6  -8.206  -3.248 -11.191
   51    H    MET   7           HN       MET   7  -3.648   0.359  -6.506
   52    HA   MET   7           HA       MET   7  -1.187   0.867  -7.642
   53   1HB   MET   7          HB2       MET   7  -3.462   2.262  -7.530
   54   2HB   MET   7          HB1       MET   7  -2.566   3.144  -6.302
   55   1HG   MET   7          HG2       MET   7  -1.367   2.629  -8.991
   56   2HG   MET   7          HG1       MET   7  -2.495   3.961  -8.741
   57   1HE   MET   7          HE1       MET   7  -1.500   5.934  -9.014
   58   2HE   MET   7          HE2       MET   7  -0.160   6.644  -8.113
   59   3HE   MET   7          HE3       MET   7  -1.694   6.322  -7.305
   60    H    CYS   8           HN       CYS   8  -2.279   1.496  -4.340
   61    HA   CYS   8           HA       CYS   8  -0.010   2.801  -3.370
   62   1HB   CYS   8          HB2       CYS   8  -2.326   1.464  -2.246
   63   2HB   CYS   8          HB1       CYS   8  -0.891   1.150  -1.278
   64    H    GLN   9           HN       GLN   9  -0.796  -0.643  -3.527
   65    HA   GLN   9           HA       GLN   9   1.376  -1.802  -2.313
   66   1HB   GLN   9          HB2       GLN   9  -0.598  -2.571  -4.248
   67   2HB   GLN   9          HB1       GLN   9   0.950  -3.256  -4.702
   68   1HG   GLN   9          HG2       GLN   9   1.144  -4.406  -2.635
   69   2HG   GLN   9          HG1       GLN   9  -0.230  -3.537  -1.953
   70   1HE2  GLN   9          HE21      GLN   9  -2.251  -4.279  -2.297
   71   2HE2  GLN   9          HE22      GLN   9  -2.625  -5.705  -3.198
   72    H    LEU  10           HN       LEU  10   1.132  -0.485  -5.551
   73    HA   LEU  10           HA       LEU  10   3.493  -1.249  -6.650
   74   1HB   LEU  10          HB2       LEU  10   1.452   0.268  -7.429
   75   2HB   LEU  10          HB1       LEU  10   2.586   1.535  -7.057
   76    HG   LEU  10           HG       LEU  10   4.184   0.059  -8.595
   77   1HD1  LEU  10          HD11      LEU  10   2.622  -1.722  -8.999
   78   2HD1  LEU  10          HD12      LEU  10   2.873  -0.829 -10.499
   79   3HD1  LEU  10          HD13      LEU  10   1.402  -0.579  -9.559
   80   1HD2  LEU  10          HD21      LEU  10   2.068   1.948  -9.621
   81   2HD2  LEU  10          HD22      LEU  10   3.544   1.496 -10.475
   82   3HD2  LEU  10          HD23      LEU  10   3.641   2.400  -8.964
   83    H    SER  11           HN       SER  11   2.767   1.693  -4.873
   84    HA   SER  11           HA       SER  11   5.264   2.883  -4.805
   85   1HB   SER  11          HB2       SER  11   4.492   4.193  -3.003
   86   2HB   SER  11          HB1       SER  11   3.018   3.740  -3.858
   87    HG   SER  11           HG       SER  11   3.818   3.127  -1.329
   88    H    CYS  12           HN       CYS  12   4.046   0.237  -2.849
   89    HA   CYS  12           HA       CYS  12   6.352   0.169  -1.144
   90   1HB   CYS  12          HB2       CYS  12   3.801  -0.781  -1.016
   91   2HB   CYS  12          HB1       CYS  12   4.687  -2.227  -1.431
   92    H    ARG  13           HN       ARG  13   5.117  -1.468  -3.976
   93    HA   ARG  13           HA       ARG  13   7.053  -3.500  -4.189
   94   1HB   ARG  13          HB2       ARG  13   4.954  -3.485  -5.481
   95   2HB   ARG  13          HB1       ARG  13   5.533  -2.103  -6.401
   96   1HG   ARG  13          HG2       ARG  13   7.414  -3.499  -7.216
   97   2HG   ARG  13          HG1       ARG  13   6.690  -4.881  -6.392
   98   1HD   ARG  13          HD2       ARG  13   4.622  -4.506  -7.731
   99   2HD   ARG  13          HD1       ARG  13   5.485  -3.258  -8.629
  100    HE   ARG  13           HE       ARG  13   6.967  -5.647  -8.697
  101   1HH1  ARG  13          HH11      ARG  13   4.023  -4.272  -9.969
  102   2HH1  ARG  13          HH12      ARG  13   4.036  -5.250 -11.398
  103   1HH2  ARG  13          HH21      ARG  13   6.986  -6.934 -10.576
  104   2HH2  ARG  13          HH22      ARG  13   5.717  -6.762 -11.742
  105    H    LYS  14           HN       LYS  14   6.908  -0.254  -5.607
  106    HA   LYS  14           HA       LYS  14   9.472  -0.451  -6.853
  107   1HB   LYS  14          HB2       LYS  14   7.339   1.548  -6.617
  108   2HB   LYS  14          HB1       LYS  14   8.952   2.246  -6.639
  109   1HG   LYS  14          HG2       LYS  14   9.344   1.630  -8.790
  110   2HG   LYS  14          HG1       LYS  14   8.326   0.193  -8.681
  111   1HD   LYS  14          HD2       LYS  14   6.330   1.657  -8.675
  112   2HD   LYS  14          HD1       LYS  14   7.387   3.053  -8.890
  113   1HE   LYS  14          HE2       LYS  14   7.361   0.720 -10.789
  114   2HE   LYS  14          HE1       LYS  14   6.303   2.117 -10.983
  115   1HZ   LYS  14          HZ1       LYS  14   8.296   2.364 -12.303
  116   2HZ   LYS  14          HZ2       LYS  14   9.272   2.175 -10.935
  117   3HZ   LYS  14          HZ3       LYS  14   8.273   3.532 -11.078
  118    H    SER  15           HN       SER  15   8.245   1.413  -4.061
  119    HA   SER  15           HA       SER  15  10.696   2.436  -3.215
  120   1HB   SER  15          HB2       SER  15   8.514   3.185  -2.330
  121   2HB   SER  15          HB1       SER  15   8.348   1.654  -1.471
  122    HG   SER  15           HG       SER  15   9.284   3.618  -0.347
  123    H    LEU  16           HN       LEU  16   9.017  -0.431  -1.873
  124    HA   LEU  16           HA       LEU  16  11.658  -1.581  -1.302
  125   1HB   LEU  16          HB2       LEU  16   9.347  -1.285   0.595
  126   2HB   LEU  16          HB1       LEU  16  10.576  -2.512   0.833
  127    HG   LEU  16           HG       LEU  16  11.129  -0.639   2.208
  128   1HD1  LEU  16          HD11      LEU  16  12.923  -0.465  -0.202
  129   2HD1  LEU  16          HD12      LEU  16  12.963  -1.799   0.951
  130   3HD1  LEU  16          HD13      LEU  16  13.341  -0.161   1.485
  131   1HD2  LEU  16          HD21      LEU  16  11.539   1.295   0.043
  132   2HD2  LEU  16          HD22      LEU  16  10.870   1.521   1.658
  133   3HD2  LEU  16          HD23      LEU  16   9.852   0.892   0.362
  134    H    GLY  17           HN       GLY  17   8.558  -2.938  -0.299
  135   1HA   GLY  17          HA2       GLY  17   7.753  -4.495  -2.378
  136   2HA   GLY  17          HA1       GLY  17   9.138  -5.377  -1.741
  137    H    CYS  18           HN       CYS  18   6.729  -3.475  -0.007
  138    HA   CYS  18           HA       CYS  18   5.872  -6.044   1.056
  139   1HB   CYS  18          HB2       CYS  18   5.235  -3.492   2.425
  140   2HB   CYS  18          HB1       CYS  18   4.981  -5.184   2.866
  141    H    LEU  19           HN       LEU  19   4.644  -6.583  -0.178
  142    HA   LEU  19           HA       LEU  19   2.765  -5.409  -1.759
  143   1HB   LEU  19          HB2       LEU  19   3.034  -7.481  -2.455
  144   2HB   LEU  19          HB1       LEU  19   3.702  -7.980  -0.944
  145    HG   LEU  19           HG       LEU  19   1.477  -8.334  -0.054
  146   1HD1  LEU  19          HD11      LEU  19   0.193  -8.425  -2.695
  147   2HD1  LEU  19          HD12      LEU  19   0.565  -6.804  -2.109
  148   3HD1  LEU  19          HD13      LEU  19  -0.445  -7.881  -1.144
  149   1HD2  LEU  19          HD21      LEU  19   1.503  -9.996  -2.500
  150   2HD2  LEU  19          HD22      LEU  19   1.413 -10.473  -0.805
  151   3HD2  LEU  19          HD23      LEU  19   2.961 -10.004  -1.508
  152    H    LEU  20           HN       LEU  20   2.318  -6.893   1.465
  153    HA   LEU  20           HA       LEU  20  -0.476  -6.118   1.478
  154   1HB   LEU  20          HB2       LEU  20  -0.760  -7.673   3.064
  155   2HB   LEU  20          HB1       LEU  20   0.821  -8.228   2.555
  156    HG   LEU  20           HG       LEU  20   1.620  -6.512   4.424
  157   1HD1  LEU  20          HD11      LEU  20  -0.259  -5.601   5.326
  158   2HD1  LEU  20          HD12      LEU  20  -0.133  -7.035   6.344
  159   3HD1  LEU  20          HD13      LEU  20  -1.249  -7.019   4.979
  160   1HD2  LEU  20          HD21      LEU  20   2.092  -8.345   5.728
  161   2HD2  LEU  20          HD22      LEU  20   1.784  -9.111   4.170
  162   3HD2  LEU  20          HD23      LEU  20   0.533  -9.107   5.413
  163    H    GLY  21           HN       GLY  21  -1.438  -4.820   3.120
  164   1HA   GLY  21          HA2       GLY  21  -0.129  -3.362   5.010
  165   2HA   GLY  21          HA1       GLY  21  -0.116  -2.386   3.564
  166    H    LYS  22           HN       LYS  22  -1.307  -0.847   4.608
  167    HA   LYS  22           HA       LYS  22  -4.182  -1.339   4.521
  168   1HB   LYS  22          HB2       LYS  22  -2.704  -0.421   6.983
  169   2HB   LYS  22          HB1       LYS  22  -4.419  -0.108   6.746
  170   1HG   LYS  22          HG2       LYS  22  -4.866  -2.488   6.637
  171   2HG   LYS  22          HG1       LYS  22  -3.143  -2.835   6.794
  172   1HD   LYS  22          HD2       LYS  22  -4.497  -1.172   8.871
  173   2HD   LYS  22          HD1       LYS  22  -4.716  -2.923   8.888
  174   1HE   LYS  22          HE2       LYS  22  -2.844  -2.892  10.138
  175   2HE   LYS  22          HE1       LYS  22  -2.039  -2.766   8.574
  176   1HZ   LYS  22          HZ1       LYS  22  -1.909  -0.403   8.819
  177   2HZ   LYS  22          HZ2       LYS  22  -1.272  -1.113  10.216
  178   3HZ   LYS  22          HZ3       LYS  22  -2.823  -0.439  10.243
  179    H    CYS  23           HN       CYS  23  -5.383   0.430   3.997
  180    HA   CYS  23           HA       CYS  23  -3.878   2.904   3.457
  181   1HB   CYS  23          HB2       CYS  23  -4.754   1.676   1.454
  182   2HB   CYS  23          HB1       CYS  23  -6.383   1.956   2.057
  183    H    ILE  24           HN       ILE  24  -4.941   4.919   3.783
  184    HA   ILE  24           HA       ILE  24  -7.397   4.894   5.404
  185    HB   ILE  24           HB       ILE  24  -5.284   6.776   6.242
  186   1HG1  ILE  24          HG12      ILE  24  -5.295   3.899   7.189
  187   2HG1  ILE  24          HG11      ILE  24  -4.100   4.570   6.084
  188   1HG2  ILE  24          HG21      ILE  24  -7.081   7.136   7.550
  189   2HG2  ILE  24          HG22      ILE  24  -6.408   5.799   8.483
  190   3HG2  ILE  24          HG23      ILE  24  -7.705   5.502   7.326
  191   1HD1  ILE  24          HD11      ILE  24  -4.205   6.262   8.342
  192   2HD1  ILE  24          HD12      ILE  24  -2.891   5.209   7.815
  193   3HD1  ILE  24          HD13      ILE  24  -4.122   4.597   8.920
  194    H    GLY  25           HN       GLY  25  -8.026   7.008   5.798
  195   1HA   GLY  25          HA2       GLY  25  -9.378   8.420   4.228
  196   2HA   GLY  25          HA1       GLY  25  -8.141   9.250   5.174
  197    H    ASP  26           HN       ASP  26  -6.184   9.208   4.504
  198    HA   ASP  26           HA       ASP  26  -5.759   9.463   1.619
  199   1HB   ASP  26          HB2       ASP  26  -4.583  11.635   1.927
  200   2HB   ASP  26          HB1       ASP  26  -6.299  11.738   2.307
  201    H    LYS  27           HN       LYS  27  -5.002   7.902   4.202
  202    HA   LYS  27           HA       LYS  27  -2.105   8.083   3.927
  203   1HB   LYS  27          HB2       LYS  27  -3.444   8.178   6.135
  204   2HB   LYS  27          HB1       LYS  27  -3.560   6.461   5.861
  205   1HG   LYS  27          HG2       LYS  27  -1.324   6.086   6.226
  206   2HG   LYS  27          HG1       LYS  27  -0.886   7.737   5.784
  207   1HD   LYS  27          HD2       LYS  27  -2.619   7.470   8.152
  208   2HD   LYS  27          HD1       LYS  27  -0.985   6.826   8.327
  209   1HE   LYS  27          HE2       LYS  27  -0.007   8.878   8.129
  210   2HE   LYS  27          HE1       LYS  27  -1.286   9.508   7.092
  211   1HZ   LYS  27          HZ1       LYS  27  -0.998  10.194   9.638
  212   2HZ   LYS  27          HZ2       LYS  27  -2.049   8.883   9.826
  213   3HZ   LYS  27          HZ3       LYS  27  -2.495  10.189   8.848
  214    H    CYS  28           HN       CYS  28  -1.026   6.158   4.250
  215    HA   CYS  28           HA       CYS  28  -2.036   3.629   3.417
  216   1HB   CYS  28          HB2       CYS  28  -1.649   5.310   1.296
  217   2HB   CYS  28          HB1       CYS  28  -0.089   4.499   1.383
  218    H    LYS  29           HN       LYS  29  -0.701   2.058   4.149
  219    HA   LYS  29           HA       LYS  29   2.148   2.426   4.251
  220   1HB   LYS  29          HB2       LYS  29   0.903   3.516   6.367
  221   2HB   LYS  29          HB1       LYS  29   1.035   1.859   6.941
  222   1HG   LYS  29          HG2       LYS  29   2.910   3.221   7.689
  223   2HG   LYS  29          HG1       LYS  29   3.444   1.919   6.623
  224   1HD   LYS  29          HD2       LYS  29   4.105   3.346   4.994
  225   2HD   LYS  29          HD1       LYS  29   2.795   4.485   5.315
  226   1HE   LYS  29          HE2       LYS  29   5.024   4.160   7.282
  227   2HE   LYS  29          HE1       LYS  29   5.252   5.156   5.846
  228   1HZ   LYS  29          HZ1       LYS  29   4.472   6.688   7.330
  229   2HZ   LYS  29          HZ2       LYS  29   3.477   5.587   8.142
  230   3HZ   LYS  29          HZ3       LYS  29   3.010   6.195   6.634
  231    H    CYS  30           HN       CYS  30   3.132   0.525   4.045
  232    HA   CYS  30           HA       CYS  30   1.562  -1.876   3.965
  233   1HB   CYS  30          HB2       CYS  30   4.556  -1.801   3.762
  234   2HB   CYS  30          HB1       CYS  30   3.425  -2.901   2.982
  235    H    TYR  31           HN       TYR  31   2.253  -3.867   5.178
  236    HA   TYR  31           HA       TYR  31   3.680  -3.529   7.502
  237   1HB   TYR  31          HB2       TYR  31   0.741  -3.768   7.434
  238   2HB   TYR  31          HB1       TYR  31   1.623  -4.336   8.853
  239    HD1  TYR  31           HD2      TYR  31   3.453  -2.464   9.666
  240    HD2  TYR  31           HD1      TYR  31  -0.190  -1.685   7.612
  241    HE1  TYR  31           HE2      TYR  31   3.442  -0.174  10.564
  242    HE2  TYR  31           HE1      TYR  31  -0.211   0.606   8.502
  243    HH   TYR  31           HH       TYR  31   1.896   1.626  11.002
  244    H    GLY  32           HN       GLY  32   4.841  -5.356   7.739
  245   1HA   GLY  32          HA2       GLY  32   5.112  -7.649   8.105
  246   2HA   GLY  32          HA1       GLY  32   3.479  -7.913   7.517
  247    H    CYS  33           HN       CYS  33   3.755  -6.577   5.009
  248    HA   CYS  33           HA       CYS  33   4.417  -6.969   2.865
  249   1HB   CYS  33          HB2       CYS  33   6.923  -8.346   3.719
  250   2HB   CYS  33          HB1       CYS  33   6.671  -7.185   2.423
  Start of MODEL   13
    1   1H    ALA   1          HT1       ALA   1 -12.725  -2.105  -4.003
    2   2H    ALA   1          HT2       ALA   1 -11.030  -1.914  -3.812
    3   3H    ALA   1          HT3       ALA   1 -11.982  -0.611  -4.396
    4    HA   ALA   1           HA       ALA   1 -12.932  -0.209  -2.390
    5   1HB   ALA   1          HB1       ALA   1 -12.817  -1.757  -0.499
    6   2HB   ALA   1          HB2       ALA   1 -11.910  -2.900  -1.489
    7   3HB   ALA   1          HB3       ALA   1 -13.579  -2.506  -1.902
    8    H    PHE   2           HN       PHE   2 -11.848   0.159  -0.136
    9    HA   PHE   2           HA       PHE   2 -10.152   1.114   1.039
   10   1HB   PHE   2          HB2       PHE   2  -9.003  -1.180  -0.249
   11   2HB   PHE   2          HB1       PHE   2  -7.809   0.112  -0.197
   12    HD1  PHE   2           HD1      PHE   2  -8.451   1.442   2.329
   13    HD2  PHE   2           HD2      PHE   2  -8.341  -2.700   1.360
   14    HE1  PHE   2           HE1      PHE   2  -7.972   0.909   4.682
   15    HE2  PHE   2           HE2      PHE   2  -7.862  -3.241   3.712
   16    HZ   PHE   2           HZ       PHE   2  -7.678  -1.436   5.377
   17    H    CYS   3           HN       CYS   3  -8.704   2.849   0.952
   18    HA   CYS   3           HA       CYS   3  -9.032   4.648  -1.142
   19   1HB   CYS   3          HB2       CYS   3  -6.755   5.608  -0.080
   20   2HB   CYS   3          HB1       CYS   3  -8.329   5.821   0.672
   21    H    ASN   4           HN       ASN   4  -8.604   3.625  -3.108
   22    HA   ASN   4           HA       ASN   4  -7.373   2.864  -4.871
   23   1HB   ASN   4          HB2       ASN   4  -6.445   5.316  -4.156
   24   2HB   ASN   4          HB1       ASN   4  -4.962   4.371  -4.069
   25   1HD2  ASN   4          HD21      ASN   4  -6.087   6.467  -5.955
   26   2HD2  ASN   4          HD22      ASN   4  -5.840   5.786  -7.523
   27    H    LEU   5           HN       LEU   5  -7.234   0.719  -4.047
   28    HA   LEU   5           HA       LEU   5  -5.015  -0.127  -2.459
   29   1HB   LEU   5          HB2       LEU   5  -7.331  -1.228  -2.712
   30   2HB   LEU   5          HB1       LEU   5  -6.686  -1.932  -4.182
   31    HG   LEU   5           HG       LEU   5  -6.570  -3.453  -2.229
   32   1HD1  LEU   5          HD11      LEU   5  -3.813  -2.674  -3.141
   33   2HD1  LEU   5          HD12      LEU   5  -4.966  -3.517  -4.176
   34   3HD1  LEU   5          HD13      LEU   5  -4.403  -4.273  -2.686
   35   1HD2  LEU   5          HD21      LEU   5  -5.956  -1.354  -0.734
   36   2HD2  LEU   5          HD22      LEU   5  -4.315  -1.884  -1.105
   37   3HD2  LEU   5          HD23      LEU   5  -5.439  -2.986  -0.309
   38    H    ARG   6           HN       ARG   6  -5.878  -0.989  -5.822
   39    HA   ARG   6           HA       ARG   6  -3.613  -2.243  -6.595
   40   1HB   ARG   6          HB2       ARG   6  -5.179  -2.223  -8.271
   41   2HB   ARG   6          HB1       ARG   6  -5.598  -0.538  -8.007
   42   1HG   ARG   6          HG2       ARG   6  -3.583   0.168  -9.147
   43   2HG   ARG   6          HG1       ARG   6  -3.093  -1.513  -9.365
   44   1HD   ARG   6          HD2       ARG   6  -5.009  -1.933 -10.770
   45   2HD   ARG   6          HD1       ARG   6  -5.633  -0.314 -10.462
   46    HE   ARG   6           HE       ARG   6  -3.007  -0.336 -11.628
   47   1HH1  ARG   6          HH11      ARG   6  -6.432  -0.422 -12.292
   48   2HH1  ARG   6          HH12      ARG   6  -6.263   0.205 -13.897
   49   1HH2  ARG   6          HH21      ARG   6  -2.783   0.489 -13.739
   50   2HH2  ARG   6          HH22      ARG   6  -4.192   0.722 -14.719
   51    H    MET   7           HN       MET   7  -4.144   1.236  -7.119
   52    HA   MET   7           HA       MET   7  -1.559   1.897  -7.868
   53   1HB   MET   7          HB2       MET   7  -3.658   3.373  -7.853
   54   2HB   MET   7          HB1       MET   7  -3.271   3.706  -6.171
   55   1HG   MET   7          HG2       MET   7  -2.143   5.436  -7.024
   56   2HG   MET   7          HG1       MET   7  -0.894   4.231  -7.333
   57   1HE   MET   7          HE1       MET   7  -3.749   6.186  -8.371
   58   2HE   MET   7          HE2       MET   7  -4.139   5.690 -10.018
   59   3HE   MET   7          HE3       MET   7  -2.999   7.006  -9.740
   60    H    CYS   8           HN       CYS   8  -2.944   1.585  -4.626
   61    HA   CYS   8           HA       CYS   8  -0.797   2.591  -3.155
   62   1HB   CYS   8          HB2       CYS   8  -3.114   0.871  -2.621
   63   2HB   CYS   8          HB1       CYS   8  -1.734   0.525  -1.586
   64    H    GLN   9           HN       GLN   9  -1.435  -0.666  -4.389
   65    HA   GLN   9           HA       GLN   9   0.638  -2.119  -3.335
   66   1HB   GLN   9          HB2       GLN   9  -1.066  -2.282  -5.636
   67   2HB   GLN   9          HB1       GLN   9   0.554  -2.776  -6.085
   68   1HG   GLN   9          HG2       GLN   9  -0.755  -3.896  -3.642
   69   2HG   GLN   9          HG1       GLN   9  -1.115  -4.549  -5.239
   70   1HE2  GLN   9          HE21      GLN   9   1.175  -4.624  -6.532
   71   2HE2  GLN   9          HE22      GLN   9   2.350  -5.589  -5.712
   72    H    LEU  10           HN       LEU  10   0.692   0.125  -6.030
   73    HA   LEU  10           HA       LEU  10   3.205  -0.229  -6.997
   74   1HB   LEU  10          HB2       LEU  10   1.188   1.410  -7.555
   75   2HB   LEU  10          HB1       LEU  10   2.192   2.530  -6.677
   76    HG   LEU  10           HG       LEU  10   4.048   1.620  -8.357
   77   1HD1  LEU  10          HD11      LEU  10   2.359   0.040  -9.362
   78   2HD1  LEU  10          HD12      LEU  10   3.215   1.078 -10.502
   79   3HD1  LEU  10          HD13      LEU  10   1.557   1.459 -10.034
   80   1HD2  LEU  10          HD21      LEU  10   1.987   3.760  -8.743
   81   2HD2  LEU  10          HD22      LEU  10   3.269   3.505  -9.926
   82   3HD2  LEU  10          HD23      LEU  10   3.676   3.916  -8.259
   83    H    SER  11           HN       SER  11   2.109   2.041  -4.547
   84    HA   SER  11           HA       SER  11   4.527   3.175  -3.794
   85   1HB   SER  11          HB2       SER  11   2.061   2.561  -2.159
   86   2HB   SER  11          HB1       SER  11   3.429   3.463  -1.510
   87    HG   SER  11           HG       SER  11   2.940   5.133  -2.745
   88    H    CYS  12           HN       CYS  12   3.265   0.023  -3.066
   89    HA   CYS  12           HA       CYS  12   5.200  -0.540  -1.026
   90   1HB   CYS  12          HB2       CYS  12   2.779  -1.578  -1.722
   91   2HB   CYS  12          HB1       CYS  12   3.862  -2.753  -2.430
   92    H    ARG  13           HN       ARG  13   4.666  -1.288  -4.423
   93    HA   ARG  13           HA       ARG  13   6.837  -2.994  -4.854
   94   1HB   ARG  13          HB2       ARG  13   5.012  -2.561  -6.491
   95   2HB   ARG  13          HB1       ARG  13   5.703  -0.974  -6.799
   96   1HG   ARG  13          HG2       ARG  13   7.709  -1.968  -7.687
   97   2HG   ARG  13          HG1       ARG  13   7.133  -3.582  -7.265
   98   1HD   ARG  13          HD2       ARG  13   5.346  -1.946  -8.957
   99   2HD   ARG  13          HD1       ARG  13   6.846  -2.494  -9.705
  100    HE   ARG  13           HE       ARG  13   5.567  -4.644  -8.389
  101   1HH1  ARG  13          HH11      ARG  13   5.302  -2.639 -11.233
  102   2HH1  ARG  13          HH12      ARG  13   4.491  -3.852 -12.166
  103   1HH2  ARG  13          HH21      ARG  13   4.501  -6.241  -9.614
  104   2HH2  ARG  13          HH22      ARG  13   4.036  -5.897 -11.246
  105    H    LYS  14           HN       LYS  14   6.621   0.513  -4.813
  106    HA   LYS  14           HA       LYS  14   9.406   0.848  -5.526
  107   1HB   LYS  14          HB2       LYS  14   7.050   2.570  -5.252
  108   2HB   LYS  14          HB1       LYS  14   8.528   3.301  -4.663
  109   1HG   LYS  14          HG2       LYS  14   8.175   3.894  -6.966
  110   2HG   LYS  14          HG1       LYS  14   9.597   2.854  -6.824
  111   1HD   LYS  14          HD2       LYS  14   7.743   0.989  -7.183
  112   2HD   LYS  14          HD1       LYS  14   6.957   2.313  -8.041
  113   1HE   LYS  14          HE2       LYS  14   9.831   1.751  -8.590
  114   2HE   LYS  14          HE1       LYS  14   8.615   0.675  -9.277
  115   1HZ   LYS  14          HZ1       LYS  14   9.445   2.892 -10.473
  116   2HZ   LYS  14          HZ2       LYS  14   8.135   3.522  -9.608
  117   3HZ   LYS  14          HZ3       LYS  14   7.895   2.249 -10.696
  118    H    SER  15           HN       SER  15   7.380   1.670  -2.698
  119    HA   SER  15           HA       SER  15   9.513   2.429  -1.044
  120   1HB   SER  15          HB2       SER  15   7.123   2.990  -0.625
  121   2HB   SER  15          HB1       SER  15   6.844   1.310  -0.166
  122    HG   SER  15           HG       SER  15   8.790   2.945   1.082
  123    H    LEU  16           HN       LEU  16   7.540  -0.517  -0.645
  124    HA   LEU  16           HA       LEU  16   9.925  -2.123  -0.257
  125   1HB   LEU  16          HB2       LEU  16   8.103  -1.337   1.967
  126   2HB   LEU  16          HB1       LEU  16   8.762  -2.961   1.967
  127    HG   LEU  16           HG       LEU  16  10.454  -0.467   1.846
  128   1HD1  LEU  16          HD11      LEU  16  10.992  -1.224   4.249
  129   2HD1  LEU  16          HD12      LEU  16   9.451  -2.078   4.160
  130   3HD1  LEU  16          HD13      LEU  16   9.502  -0.327   3.957
  131   1HD2  LEU  16          HD21      LEU  16  11.156  -2.945   1.089
  132   2HD2  LEU  16          HD22      LEU  16  11.497  -3.051   2.816
  133   3HD2  LEU  16          HD23      LEU  16  12.273  -1.805   1.839
  134    H    GLY  17           HN       GLY  17   9.619  -4.190  -0.869
  135   1HA   GLY  17          HA2       GLY  17   7.074  -4.931  -2.021
  136   2HA   GLY  17          HA1       GLY  17   8.541  -5.904  -2.000
  137    H    CYS  18           HN       CYS  18   6.398  -4.514   0.459
  138    HA   CYS  18           HA       CYS  18   5.884  -7.278   1.188
  139   1HB   CYS  18          HB2       CYS  18   5.790  -5.072   3.187
  140   2HB   CYS  18          HB1       CYS  18   5.373  -6.789   3.318
  141    H    LEU  19           HN       LEU  19   4.378  -7.522   0.186
  142    HA   LEU  19           HA       LEU  19   2.255  -6.204  -0.763
  143   1HB   LEU  19          HB2       LEU  19   2.966  -8.848  -0.441
  144   2HB   LEU  19          HB1       LEU  19   1.416  -8.747   0.356
  145    HG   LEU  19           HG       LEU  19   2.022  -8.013  -2.497
  146   1HD1  LEU  19          HD11      LEU  19   1.689 -10.485  -1.545
  147   2HD1  LEU  19          HD12      LEU  19   1.112  -9.986  -3.135
  148   3HD1  LEU  19          HD13      LEU  19  -0.003 -10.041  -1.769
  149   1HD2  LEU  19          HD21      LEU  19   0.373  -6.479  -1.778
  150   2HD2  LEU  19          HD22      LEU  19  -0.493  -7.720  -0.873
  151   3HD2  LEU  19          HD23      LEU  19  -0.490  -7.755  -2.636
  152    H    LEU  20           HN       LEU  20   2.636  -7.230   2.576
  153    HA   LEU  20           HA       LEU  20  -0.057  -6.568   3.323
  154   1HB   LEU  20          HB2       LEU  20   0.979  -6.726   5.686
  155   2HB   LEU  20          HB1       LEU  20   0.815  -8.179   4.720
  156    HG   LEU  20           HG       LEU  20   3.400  -6.753   4.499
  157   1HD1  LEU  20          HD11      LEU  20   2.337  -7.233   7.048
  158   2HD1  LEU  20          HD12      LEU  20   4.003  -6.835   6.632
  159   3HD1  LEU  20          HD13      LEU  20   3.505  -8.522   6.756
  160   1HD2  LEU  20          HD21      LEU  20   3.829  -9.421   5.006
  161   2HD2  LEU  20          HD22      LEU  20   3.712  -8.679   3.411
  162   3HD2  LEU  20          HD23      LEU  20   2.291  -9.424   4.143
  163    H    GLY  21           HN       GLY  21  -0.651  -4.918   4.817
  164   1HA   GLY  21          HA2       GLY  21   0.793  -2.835   5.774
  165   2HA   GLY  21          HA1       GLY  21   0.460  -2.369   4.124
  166    H    LYS  22           HN       LYS  22  -0.696  -0.635   4.859
  167    HA   LYS  22           HA       LYS  22  -3.491  -1.215   5.305
  168   1HB   LYS  22          HB2       LYS  22  -1.822   0.102   7.435
  169   2HB   LYS  22          HB1       LYS  22  -3.559   0.350   7.330
  170   1HG   LYS  22          HG2       LYS  22  -3.537  -2.308   7.278
  171   2HG   LYS  22          HG1       LYS  22  -2.027  -2.043   8.153
  172   1HD   LYS  22          HD2       LYS  22  -3.081  -1.271   9.994
  173   2HD   LYS  22          HD1       LYS  22  -4.315  -0.425   9.058
  174   1HE   LYS  22          HE2       LYS  22  -5.481  -2.122  10.174
  175   2HE   LYS  22          HE1       LYS  22  -5.259  -2.737   8.537
  176   1HZ   LYS  22          HZ1       LYS  22  -4.691  -4.150  10.699
  177   2HZ   LYS  22          HZ2       LYS  22  -3.187  -3.412  10.466
  178   3HZ   LYS  22          HZ3       LYS  22  -3.868  -4.351   9.235
  179    H    CYS  23           HN       CYS  23  -4.840   0.406   4.677
  180    HA   CYS  23           HA       CYS  23  -3.562   2.859   3.666
  181   1HB   CYS  23          HB2       CYS  23  -4.454   1.253   1.929
  182   2HB   CYS  23          HB1       CYS  23  -6.063   1.576   2.562
  183    H    ILE  24           HN       ILE  24  -4.637   4.822   3.954
  184    HA   ILE  24           HA       ILE  24  -7.116   4.838   5.515
  185    HB   ILE  24           HB       ILE  24  -4.524   5.464   6.610
  186   1HG1  ILE  24          HG12      ILE  24  -7.094   5.801   8.081
  187   2HG1  ILE  24          HG11      ILE  24  -6.661   4.203   7.480
  188   1HG2  ILE  24          HG21      ILE  24  -6.518   7.671   7.024
  189   2HG2  ILE  24          HG22      ILE  24  -5.214   7.789   5.846
  190   3HG2  ILE  24          HG23      ILE  24  -4.841   7.593   7.555
  191   1HD1  ILE  24          HD11      ILE  24  -4.396   5.312   8.783
  192   2HD1  ILE  24          HD12      ILE  24  -5.350   3.897   9.227
  193   3HD1  ILE  24          HD13      ILE  24  -5.799   5.490   9.837
  194    H    GLY  25           HN       GLY  25  -7.788   6.951   5.817
  195   1HA   GLY  25          HA2       GLY  25  -9.130   8.256   4.149
  196   2HA   GLY  25          HA1       GLY  25  -7.967   9.148   5.122
  197    H    ASP  26           HN       ASP  26  -5.959   9.157   4.511
  198    HA   ASP  26           HA       ASP  26  -5.569   9.553   1.620
  199   1HB   ASP  26          HB2       ASP  26  -4.775  11.506   3.789
  200   2HB   ASP  26          HB1       ASP  26  -4.251  11.623   2.112
  201    H    LYS  27           HN       LYS  27  -4.831   7.823   4.101
  202    HA   LYS  27           HA       LYS  27  -1.932   7.846   3.808
  203   1HB   LYS  27          HB2       LYS  27  -3.281   7.660   5.996
  204   2HB   LYS  27          HB1       LYS  27  -3.495   6.013   5.455
  205   1HG   LYS  27          HG2       LYS  27  -1.367   5.420   5.914
  206   2HG   LYS  27          HG1       LYS  27  -0.733   7.005   5.465
  207   1HD   LYS  27          HD2       LYS  27  -2.349   6.588   7.964
  208   2HD   LYS  27          HD1       LYS  27  -0.603   6.336   7.930
  209   1HE   LYS  27          HE2       LYS  27  -0.153   8.545   7.786
  210   2HE   LYS  27          HE1       LYS  27  -1.553   8.870   6.765
  211   1HZ   LYS  27          HZ1       LYS  27  -1.425   9.695   9.246
  212   2HZ   LYS  27          HZ2       LYS  27  -2.047   8.153   9.555
  213   3HZ   LYS  27          HZ3       LYS  27  -2.890   9.218   8.548
  214    H    CYS  28           HN       CYS  28  -0.943   5.848   3.848
  215    HA   CYS  28           HA       CYS  28  -1.900   3.441   2.831
  216   1HB   CYS  28          HB2       CYS  28  -2.445   4.683   0.794
  217   2HB   CYS  28          HB1       CYS  28  -0.782   5.248   0.675
  218    H    LYS  29           HN       LYS  29  -0.396   2.030   3.503
  219    HA   LYS  29           HA       LYS  29   2.356   2.327   2.804
  220   1HB   LYS  29          HB2       LYS  29   3.168   2.354   5.199
  221   2HB   LYS  29          HB1       LYS  29   2.498   3.866   4.601
  222   1HG   LYS  29          HG2       LYS  29   0.285   2.848   5.666
  223   2HG   LYS  29          HG1       LYS  29   1.474   2.020   6.674
  224   1HD   LYS  29          HD2       LYS  29   1.733   4.959   6.222
  225   2HD   LYS  29          HD1       LYS  29   0.534   4.366   7.372
  226   1HE   LYS  29          HE2       LYS  29   2.432   4.739   8.678
  227   2HE   LYS  29          HE1       LYS  29   2.454   3.001   8.378
  228   1HZ   LYS  29          HZ1       LYS  29   3.904   4.763   6.536
  229   2HZ   LYS  29          HZ2       LYS  29   4.242   3.170   6.991
  230   3HZ   LYS  29          HZ3       LYS  29   4.588   4.443   8.050
  231    H    CYS  30           HN       CYS  30   3.483   0.446   2.996
  232    HA   CYS  30           HA       CYS  30   2.024  -1.958   3.218
  233   1HB   CYS  30          HB2       CYS  30   5.018  -1.775   3.482
  234   2HB   CYS  30          HB1       CYS  30   4.060  -3.076   2.785
  235    H    TYR  31           HN       TYR  31   3.669  -3.615   4.771
  236    HA   TYR  31           HA       TYR  31   3.508  -2.578   7.326
  237   1HB   TYR  31          HB2       TYR  31   1.733  -4.497   6.339
  238   2HB   TYR  31          HB1       TYR  31   2.788  -5.326   7.478
  239    HD1  TYR  31           HD2      TYR  31   1.280  -1.904   7.464
  240    HD2  TYR  31           HD1      TYR  31   1.668  -5.636   9.470
  241    HE1  TYR  31           HE2      TYR  31  -0.057  -1.031   9.334
  242    HE2  TYR  31           HE1      TYR  31   0.331  -4.774  11.345
  243    HH   TYR  31           HH       TYR  31  -1.534  -2.040  11.170
  244    H    GLY  32           HN       GLY  32   5.754  -3.003   5.616
  245   1HA   GLY  32          HA2       GLY  32   7.831  -4.010   5.568
  246   2HA   GLY  32          HA1       GLY  32   7.703  -3.827   7.310
  247    H    CYS  33           HN       CYS  33   5.630  -5.932   5.417
  248    HA   CYS  33           HA       CYS  33   5.351  -8.193   5.397
  249   1HB   CYS  33          HB2       CYS  33   8.309  -8.074   5.984
  250   2HB   CYS  33          HB1       CYS  33   7.448  -9.596   5.797
  Start of MODEL   14
    1   1H    ALA   1          HT1       ALA   1 -14.393   2.681   4.417
    2   2H    ALA   1          HT2       ALA   1 -14.368   0.976   4.226
    3   3H    ALA   1          HT3       ALA   1 -15.818   1.851   3.952
    4    HA   ALA   1           HA       ALA   1 -14.940   1.291   1.888
    5   1HB   ALA   1          HB1       ALA   1 -14.722   3.454   0.892
    6   2HB   ALA   1          HB2       ALA   1 -14.222   4.167   2.425
    7   3HB   ALA   1          HB3       ALA   1 -15.872   3.580   2.223
    8    H    PHE   2           HN       PHE   2 -13.056   2.478   0.370
    9    HA   PHE   2           HA       PHE   2 -10.470   2.017   1.660
   10   1HB   PHE   2          HB2       PHE   2 -11.713   0.166  -0.113
   11   2HB   PHE   2          HB1       PHE   2 -10.339   0.876  -0.954
   12    HD1  PHE   2           HD2      PHE   2  -8.140   1.025   0.525
   13    HD2  PHE   2           HD1      PHE   2 -11.345  -1.701   1.162
   14    HE1  PHE   2           HE2      PHE   2  -6.617  -0.473   1.746
   15    HE2  PHE   2           HE1      PHE   2  -9.828  -3.204   2.385
   16    HZ   PHE   2           HZ       PHE   2  -7.461  -2.591   2.677
   17    H    CYS   3           HN       CYS   3  -8.682   2.943   0.548
   18    HA   CYS   3           HA       CYS   3  -9.455   5.006  -1.409
   19   1HB   CYS   3          HB2       CYS   3  -7.279   6.140  -0.423
   20   2HB   CYS   3          HB1       CYS   3  -8.836   6.326   0.374
   21    H    ASN   4           HN       ASN   4  -9.015   3.470  -3.067
   22    HA   ASN   4           HA       ASN   4  -7.728   2.340  -4.586
   23   1HB   ASN   4          HB2       ASN   4  -7.118   4.959  -4.663
   24   2HB   ASN   4          HB1       ASN   4  -5.526   4.308  -4.282
   25   1HD2  ASN   4          HD21      ASN   4  -5.720   5.580  -6.582
   26   2HD2  ASN   4          HD22      ASN   4  -5.736   4.488  -7.921
   27    H    LEU   5           HN       LEU   5  -7.355   0.554  -3.180
   28    HA   LEU   5           HA       LEU   5  -4.978   0.412  -1.586
   29   1HB   LEU   5          HB2       LEU   5  -7.241  -0.898  -1.389
   30   2HB   LEU   5          HB1       LEU   5  -6.471  -2.010  -2.505
   31    HG   LEU   5           HG       LEU   5  -5.545  -1.277   0.267
   32   1HD1  LEU   5          HD11      LEU   5  -6.009  -3.523   0.835
   33   2HD1  LEU   5          HD12      LEU   5  -6.255  -3.975  -0.852
   34   3HD1  LEU   5          HD13      LEU   5  -7.422  -2.933  -0.038
   35   1HD2  LEU   5          HD21      LEU   5  -3.831  -3.151  -0.305
   36   2HD2  LEU   5          HD22      LEU   5  -3.519  -1.493  -0.817
   37   3HD2  LEU   5          HD23      LEU   5  -4.143  -2.670  -1.973
   38    H    ARG   6           HN       ARG   6  -5.990  -1.347  -4.525
   39    HA   ARG   6           HA       ARG   6  -3.751  -2.736  -5.120
   40   1HB   ARG   6          HB2       ARG   6  -6.036  -2.113  -6.483
   41   2HB   ARG   6          HB1       ARG   6  -4.818  -1.305  -7.461
   42   1HG   ARG   6          HG2       ARG   6  -3.661  -3.730  -7.082
   43   2HG   ARG   6          HG1       ARG   6  -5.372  -4.161  -7.113
   44   1HD   ARG   6          HD2       ARG   6  -5.639  -3.509  -9.288
   45   2HD   ARG   6          HD1       ARG   6  -4.363  -2.297  -9.195
   46    HE   ARG   6           HE       ARG   6  -2.846  -3.887  -9.844
   47   1HH1  ARG   6          HH11      ARG   6  -5.813  -5.464  -8.903
   48   2HH1  ARG   6          HH12      ARG   6  -5.314  -7.020  -9.476
   49   1HH2  ARG   6          HH21      ARG   6  -2.188  -5.933 -10.598
   50   2HH2  ARG   6          HH22      ARG   6  -3.256  -7.287 -10.438
   51    H    MET   7           HN       MET   7  -4.341   0.558  -6.339
   52    HA   MET   7           HA       MET   7  -1.852   1.025  -7.447
   53   1HB   MET   7          HB2       MET   7  -3.915   2.522  -7.525
   54   2HB   MET   7          HB1       MET   7  -3.418   3.129  -5.952
   55   1HG   MET   7          HG2       MET   7  -1.127   3.446  -7.324
   56   2HG   MET   7          HG1       MET   7  -2.301   3.642  -8.624
   57   1HE   MET   7          HE1       MET   7  -2.005   6.327  -9.163
   58   2HE   MET   7          HE2       MET   7  -0.526   5.830  -8.341
   59   3HE   MET   7          HE3       MET   7  -1.342   7.320  -7.865
   60    H    CYS   8           HN       CYS   8  -2.929   1.498  -4.108
   61    HA   CYS   8           HA       CYS   8  -0.598   2.628  -3.069
   62   1HB   CYS   8          HB2       CYS   8  -2.964   1.288  -2.004
   63   2HB   CYS   8          HB1       CYS   8  -1.528   0.979  -1.036
   64    H    GLN   9           HN       GLN   9  -1.540  -0.752  -3.498
   65    HA   GLN   9           HA       GLN   9   0.558  -2.084  -2.313
   66   1HB   GLN   9          HB2       GLN   9  -1.410  -2.647  -4.325
   67   2HB   GLN   9          HB1       GLN   9   0.118  -3.367  -4.794
   68   1HG   GLN   9          HG2       GLN   9   0.219  -4.433  -2.540
   69   2HG   GLN   9          HG1       GLN   9  -1.413  -3.834  -2.247
   70   1HE2  GLN   9          HE21      GLN   9  -2.687  -5.551  -2.304
   71   2HE2  GLN   9          HE22      GLN   9  -2.732  -6.733  -3.563
   72    H    LEU  10           HN       LEU  10   0.423  -0.560  -5.474
   73    HA   LEU  10           HA       LEU  10   2.779  -1.316  -6.587
   74   1HB   LEU  10          HB2       LEU  10   0.810   0.339  -7.263
   75   2HB   LEU  10          HB1       LEU  10   1.984   1.524  -6.773
   76    HG   LEU  10           HG       LEU  10   3.548   0.117  -8.409
   77   1HD1  LEU  10          HD11      LEU  10   2.413  -0.784 -10.275
   78   2HD1  LEU  10          HD12      LEU  10   0.858  -0.162  -9.722
   79   3HD1  LEU  10          HD13      LEU  10   1.643  -1.477  -8.848
   80   1HD2  LEU  10          HD21      LEU  10   2.749   1.699 -10.247
   81   2HD2  LEU  10          HD22      LEU  10   3.308   2.424  -8.739
   82   3HD2  LEU  10          HD23      LEU  10   1.580   2.287  -9.064
   83    H    SER  11           HN       SER  11   2.120   1.476  -4.563
   84    HA   SER  11           HA       SER  11   4.644   2.581  -4.352
   85   1HB   SER  11          HB2       SER  11   2.660   3.667  -3.426
   86   2HB   SER  11          HB1       SER  11   2.521   2.409  -2.198
   87    HG   SER  11           HG       SER  11   4.810   4.054  -2.481
   88    H    CYS  12           HN       CYS  12   3.404  -0.307  -2.869
   89    HA   CYS  12           HA       CYS  12   5.418  -0.585  -0.882
   90   1HB   CYS  12          HB2       CYS  12   3.034  -1.762  -1.363
   91   2HB   CYS  12          HB1       CYS  12   4.111  -2.988  -1.995
   92    H    ARG  13           HN       ARG  13   4.884  -1.936  -4.098
   93    HA   ARG  13           HA       ARG  13   7.162  -3.567  -4.223
   94   1HB   ARG  13          HB2       ARG  13   5.176  -3.543  -5.808
   95   2HB   ARG  13          HB1       ARG  13   5.922  -2.151  -6.581
   96   1HG   ARG  13          HG2       ARG  13   7.645  -4.518  -6.244
   97   2HG   ARG  13          HG1       ARG  13   6.304  -4.680  -7.379
   98   1HD   ARG  13          HD2       ARG  13   7.265  -2.258  -8.090
   99   2HD   ARG  13          HD1       ARG  13   8.747  -3.041  -7.545
  100    HE   ARG  13           HE       ARG  13   7.373  -3.540  -9.962
  101   1HH1  ARG  13          HH11      ARG  13   9.111  -5.191  -7.426
  102   2HH1  ARG  13          HH12      ARG  13   9.621  -6.491  -8.450
  103   1HH2  ARG  13          HH21      ARG  13   8.043  -5.249 -11.311
  104   2HH2  ARG  13          HH22      ARG  13   9.016  -6.524 -10.655
  105    H    LYS  14           HN       LYS  14   6.667  -0.197  -5.195
  106    HA   LYS  14           HA       LYS  14   9.341   0.151  -6.142
  107   1HB   LYS  14          HB2       LYS  14   6.913   1.755  -5.927
  108   2HB   LYS  14          HB1       LYS  14   8.365   2.685  -5.580
  109   1HG   LYS  14          HG2       LYS  14   8.403   2.984  -7.799
  110   2HG   LYS  14          HG1       LYS  14   9.140   1.380  -7.813
  111   1HD   LYS  14          HD2       LYS  14   6.542   0.691  -7.805
  112   2HD   LYS  14          HD1       LYS  14   6.437   2.241  -8.643
  113   1HE   LYS  14          HE2       LYS  14   8.117   1.481 -10.253
  114   2HE   LYS  14          HE1       LYS  14   8.221  -0.067  -9.414
  115   1HZ   LYS  14          HZ1       LYS  14   6.055  -0.631 -10.061
  116   2HZ   LYS  14          HZ2       LYS  14   6.760   0.022 -11.453
  117   3HZ   LYS  14          HZ3       LYS  14   5.678   0.947 -10.539
  118    H    SER  15           HN       SER  15   7.607   1.323  -3.253
  119    HA   SER  15           HA       SER  15   9.781   2.565  -2.021
  120   1HB   SER  15          HB2       SER  15   7.494   2.923  -1.258
  121   2HB   SER  15          HB1       SER  15   7.376   1.240  -0.746
  122    HG   SER  15           HG       SER  15   9.340   3.002   0.273
  123    H    LEU  16           HN       LEU  16   8.403  -0.600  -1.092
  124    HA   LEU  16           HA       LEU  16  11.121  -1.417  -0.299
  125   1HB   LEU  16          HB2       LEU  16   8.501  -1.710   1.066
  126   2HB   LEU  16          HB1       LEU  16   9.630  -3.045   1.207
  127    HG   LEU  16           HG       LEU  16  10.434  -0.226   1.879
  128   1HD1  LEU  16          HD11      LEU  16   9.509  -0.302   3.925
  129   2HD1  LEU  16          HD12      LEU  16   9.763  -2.039   4.092
  130   3HD1  LEU  16          HD13      LEU  16   8.387  -1.434   3.170
  131   1HD2  LEU  16          HD21      LEU  16  11.958  -2.408   1.543
  132   2HD2  LEU  16          HD22      LEU  16  11.536  -2.600   3.245
  133   3HD2  LEU  16          HD23      LEU  16  12.338  -1.128   2.695
  134    H    GLY  17           HN       GLY  17   8.172  -3.376  -0.453
  135   1HA   GLY  17          HA2       GLY  17   8.109  -4.579  -2.812
  136   2HA   GLY  17          HA1       GLY  17   9.588  -5.279  -2.165
  137    H    CYS  18           HN       CYS  18   8.081  -5.131   0.604
  138    HA   CYS  18           HA       CYS  18   6.934  -7.694   0.048
  139   1HB   CYS  18          HB2       CYS  18   6.593  -6.290   2.649
  140   2HB   CYS  18          HB1       CYS  18   6.264  -7.955   2.154
  141    H    LEU  19           HN       LEU  19   5.483  -7.577  -1.095
  142    HA   LEU  19           HA       LEU  19   3.447  -5.794  -1.549
  143   1HB   LEU  19          HB2       LEU  19   4.175  -8.343  -2.435
  144   2HB   LEU  19          HB1       LEU  19   2.520  -8.504  -1.898
  145    HG   LEU  19           HG       LEU  19   3.537  -6.546  -3.947
  146   1HD1  LEU  19          HD11      LEU  19   3.338  -9.037  -4.524
  147   2HD1  LEU  19          HD12      LEU  19   2.545  -7.874  -5.587
  148   3HD1  LEU  19          HD13      LEU  19   1.596  -8.782  -4.410
  149   1HD2  LEU  19          HD21      LEU  19   1.536  -5.928  -2.384
  150   2HD2  LEU  19          HD22      LEU  19   0.647  -7.054  -3.410
  151   3HD2  LEU  19          HD23      LEU  19   1.429  -5.642  -4.121
  152    H    LEU  20           HN       LEU  20   2.666  -5.004   0.444
  153    HA   LEU  20           HA       LEU  20   0.282  -6.093   1.362
  154   1HB   LEU  20          HB2       LEU  20   2.666  -7.179   2.653
  155   2HB   LEU  20          HB1       LEU  20   1.537  -6.474   3.794
  156    HG   LEU  20           HG       LEU  20   0.385  -8.311   1.777
  157   1HD1  LEU  20          HD11      LEU  20   2.629  -9.270   2.659
  158   2HD1  LEU  20          HD12      LEU  20   1.186 -10.284   2.667
  159   3HD1  LEU  20          HD13      LEU  20   1.731  -9.514   4.157
  160   1HD2  LEU  20          HD21      LEU  20   0.002  -8.056   4.756
  161   2HD2  LEU  20          HD22      LEU  20  -1.021  -8.942   3.624
  162   3HD2  LEU  20          HD23      LEU  20  -0.935  -7.182   3.544
  163    H    GLY  21           HN       GLY  21  -0.742  -4.778   2.935
  164   1HA   GLY  21          HA2       GLY  21   0.301  -2.903   4.586
  165   2HA   GLY  21          HA1       GLY  21   0.270  -2.094   3.034
  166    H    LYS  22           HN       LYS  22  -1.127  -0.598   3.864
  167    HA   LYS  22           HA       LYS  22  -3.880  -1.193   3.430
  168   1HB   LYS  22          HB2       LYS  22  -4.537  -0.386   5.804
  169   2HB   LYS  22          HB1       LYS  22  -4.059  -2.061   5.578
  170   1HG   LYS  22          HG2       LYS  22  -2.165  -1.830   6.792
  171   2HG   LYS  22          HG1       LYS  22  -1.910  -0.160   6.280
  172   1HD   LYS  22          HD2       LYS  22  -3.507   0.653   7.832
  173   2HD   LYS  22          HD1       LYS  22  -4.113  -0.971   8.165
  174   1HE   LYS  22          HE2       LYS  22  -2.786  -0.553  10.012
  175   2HE   LYS  22          HE1       LYS  22  -1.688  -1.440   8.954
  176   1HZ   LYS  22          HZ1       LYS  22  -1.745   1.461   9.520
  177   2HZ   LYS  22          HZ2       LYS  22  -0.951   0.842   8.160
  178   3HZ   LYS  22          HZ3       LYS  22  -0.461   0.375   9.710
  179    H    CYS  23           HN       CYS  23  -5.087   0.615   3.083
  180    HA   CYS  23           HA       CYS  23  -3.594   3.141   3.079
  181   1HB   CYS  23          HB2       CYS  23  -4.501   2.409   0.920
  182   2HB   CYS  23          HB1       CYS  23  -6.121   2.363   1.606
  183    H    ILE  24           HN       ILE  24  -4.618   5.099   3.727
  184    HA   ILE  24           HA       ILE  24  -6.974   4.849   5.463
  185    HB   ILE  24           HB       ILE  24  -4.257   5.338   6.353
  186   1HG1  ILE  24          HG12      ILE  24  -5.828   3.691   7.293
  187   2HG1  ILE  24          HG11      ILE  24  -5.215   4.803   8.512
  188   1HG2  ILE  24          HG21      ILE  24  -6.281   7.328   7.357
  189   2HG2  ILE  24          HG22      ILE  24  -5.036   7.720   6.175
  190   3HG2  ILE  24          HG23      ILE  24  -4.579   7.202   7.793
  191   1HD1  ILE  24          HD11      ILE  24  -7.441   4.708   9.041
  192   2HD1  ILE  24          HD12      ILE  24  -7.948   4.575   7.357
  193   3HD1  ILE  24          HD13      ILE  24  -7.396   6.125   7.993
  194    H    GLY  25           HN       GLY  25  -7.632   6.879   6.133
  195   1HA   GLY  25          HA2       GLY  25  -9.069   8.452   4.834
  196   2HA   GLY  25          HA1       GLY  25  -7.784   9.186   5.796
  197    H    ASP  26           HN       ASP  26  -5.880   9.247   5.014
  198    HA   ASP  26           HA       ASP  26  -5.617   9.861   2.158
  199   1HB   ASP  26          HB2       ASP  26  -6.171  11.969   3.567
  200   2HB   ASP  26          HB1       ASP  26  -4.529  11.804   4.184
  201    H    LYS  27           HN       LYS  27  -4.699   8.014   4.485
  202    HA   LYS  27           HA       LYS  27  -1.823   8.269   4.072
  203   1HB   LYS  27          HB2       LYS  27  -3.019   8.158   6.359
  204   2HB   LYS  27          HB1       LYS  27  -3.153   6.470   5.944
  205   1HG   LYS  27          HG2       LYS  27  -0.920   6.064   6.183
  206   2HG   LYS  27          HG1       LYS  27  -0.481   7.723   5.773
  207   1HD   LYS  27          HD2       LYS  27  -1.861   6.941   8.335
  208   2HD   LYS  27          HD1       LYS  27  -0.110   7.093   8.173
  209   1HE   LYS  27          HE2       LYS  27  -0.178   9.350   8.118
  210   2HE   LYS  27          HE1       LYS  27  -1.688   9.386   7.207
  211   1HZ   LYS  27          HZ1       LYS  27  -2.036  10.274   9.397
  212   2HZ   LYS  27          HZ2       LYS  27  -1.400   8.884  10.120
  213   3HZ   LYS  27          HZ3       LYS  27  -2.859   8.801   9.270
  214    H    CYS  28           HN       CYS  28  -0.723   6.330   4.160
  215    HA   CYS  28           HA       CYS  28  -1.761   3.868   3.208
  216   1HB   CYS  28          HB2       CYS  28  -2.021   5.175   1.126
  217   2HB   CYS  28          HB1       CYS  28  -0.298   5.536   1.149
  218    H    LYS  29           HN       LYS  29  -0.372   2.307   3.784
  219    HA   LYS  29           HA       LYS  29   2.470   2.620   3.553
  220   1HB   LYS  29          HB2       LYS  29   1.134   2.897   6.218
  221   2HB   LYS  29          HB1       LYS  29   2.713   2.131   6.117
  222   1HG   LYS  29          HG2       LYS  29   3.202   4.340   4.682
  223   2HG   LYS  29          HG1       LYS  29   1.946   4.955   5.759
  224   1HD   LYS  29          HD2       LYS  29   3.217   4.284   7.697
  225   2HD   LYS  29          HD1       LYS  29   4.430   3.510   6.675
  226   1HE   LYS  29          HE2       LYS  29   4.432   6.005   5.641
  227   2HE   LYS  29          HE1       LYS  29   4.025   6.356   7.320
  228   1HZ   LYS  29          HZ1       LYS  29   6.499   5.330   6.185
  229   2HZ   LYS  29          HZ2       LYS  29   6.033   4.667   7.669
  230   3HZ   LYS  29          HZ3       LYS  29   6.256   6.337   7.523
  231    H    CYS  30           HN       CYS  30   3.562   0.711   3.673
  232    HA   CYS  30           HA       CYS  30   2.045  -1.657   3.312
  233   1HB   CYS  30          HB2       CYS  30   5.012  -1.362   3.792
  234   2HB   CYS  30          HB1       CYS  30   4.205  -2.796   3.174
  235    H    TYR  31           HN       TYR  31   2.672  -3.694   4.598
  236    HA   TYR  31           HA       TYR  31   2.052  -3.230   7.236
  237   1HB   TYR  31          HB2       TYR  31   2.063  -5.579   5.472
  238   2HB   TYR  31          HB1       TYR  31   2.246  -5.889   7.195
  239    HD1  TYR  31           HD1      TYR  31   0.498  -4.354   8.645
  240    HD2  TYR  31           HD2      TYR  31  -0.087  -5.767   4.675
  241    HE1  TYR  31           HE1      TYR  31  -1.935  -4.160   8.940
  242    HE2  TYR  31           HE2      TYR  31  -2.521  -5.577   4.959
  243    HH   TYR  31           HH       TYR  31  -3.978  -5.030   8.016
  244    H    GLY  32           HN       GLY  32   4.395  -2.125   7.103
  245   1HA   GLY  32          HA2       GLY  32   6.353  -2.159   8.365
  246   2HA   GLY  32          HA1       GLY  32   6.097  -3.872   8.670
  247    H    CYS  33           HN       CYS  33   5.656  -3.673   5.462
  248    HA   CYS  33           HA       CYS  33   8.365  -3.382   4.559
  249   1HB   CYS  33          HB2       CYS  33   8.416  -5.630   5.655
  250   2HB   CYS  33          HB1       CYS  33   7.190  -6.168   4.514
  Start of MODEL   15
    1   1H    ALA   1          HT1       ALA   1 -14.424  -1.971  -1.124
    2   2H    ALA   1          HT2       ALA   1 -14.555  -0.518  -0.220
    3   3H    ALA   1          HT3       ALA   1 -13.389  -1.701   0.216
    4    HA   ALA   1           HA       ALA   1 -12.415  -1.383  -2.027
    5   1HB   ALA   1          HB1       ALA   1 -13.053   0.357  -3.367
    6   2HB   ALA   1          HB2       ALA   1 -13.704   1.298  -2.026
    7   3HB   ALA   1          HB3       ALA   1 -14.610  -0.076  -2.660
    8    H    PHE   2           HN       PHE   2 -10.411  -0.956  -1.414
    9    HA   PHE   2           HA       PHE   2  -9.918   0.797   0.847
   10   1HB   PHE   2          HB2       PHE   2  -8.605  -1.464  -0.340
   11   2HB   PHE   2          HB1       PHE   2  -7.471  -0.120  -0.245
   12    HD1  PHE   2           HD1      PHE   2  -8.301   1.216   2.220
   13    HD2  PHE   2           HD2      PHE   2  -7.971  -2.932   1.327
   14    HE1  PHE   2           HE1      PHE   2  -7.928   0.737   4.604
   15    HE2  PHE   2           HE2      PHE   2  -7.598  -3.419   3.710
   16    HZ   PHE   2           HZ       PHE   2  -7.576  -1.584   5.352
   17    H    CYS   3           HN       CYS   3  -8.543   2.593   0.806
   18    HA   CYS   3           HA       CYS   3  -8.846   4.372  -1.289
   19   1HB   CYS   3          HB2       CYS   3  -6.592   5.366  -0.199
   20   2HB   CYS   3          HB1       CYS   3  -8.180   5.558   0.528
   21    H    ASN   4           HN       ASN   4  -8.370   3.461  -3.274
   22    HA   ASN   4           HA       ASN   4  -7.113   2.739  -5.038
   23   1HB   ASN   4          HB2       ASN   4  -5.669   4.967  -3.763
   24   2HB   ASN   4          HB1       ASN   4  -4.680   3.969  -4.825
   25   1HD2  ASN   4          HD21      ASN   4  -7.030   6.403  -4.626
   26   2HD2  ASN   4          HD22      ASN   4  -7.326   6.590  -6.318
   27    H    LEU   5           HN       LEU   5  -6.999   0.568  -4.282
   28    HA   LEU   5           HA       LEU   5  -4.819  -0.342  -2.677
   29   1HB   LEU   5          HB2       LEU   5  -7.153  -1.410  -3.061
   30   2HB   LEU   5          HB1       LEU   5  -6.420  -2.111  -4.491
   31    HG   LEU   5           HG       LEU   5  -6.427  -3.632  -2.532
   32   1HD1  LEU   5          HD11      LEU   5  -3.561  -3.061  -3.014
   33   2HD1  LEU   5          HD12      LEU   5  -4.570  -3.398  -4.420
   34   3HD1  LEU   5          HD13      LEU   5  -4.451  -4.581  -3.117
   35   1HD2  LEU   5          HD21      LEU   5  -6.059  -1.769  -0.871
   36   2HD2  LEU   5          HD22      LEU   5  -4.362  -1.790  -1.352
   37   3HD2  LEU   5          HD23      LEU   5  -5.089  -3.222  -0.623
   38    H    ARG   6           HN       ARG   6  -5.609  -1.179  -6.062
   39    HA   ARG   6           HA       ARG   6  -3.302  -2.379  -6.798
   40   1HB   ARG   6          HB2       ARG   6  -3.711  -1.203  -9.101
   41   2HB   ARG   6          HB1       ARG   6  -4.873  -2.370  -8.487
   42   1HG   ARG   6          HG2       ARG   6  -6.477  -0.857  -8.636
   43   2HG   ARG   6          HG1       ARG   6  -5.615   0.186  -7.506
   44   1HD   ARG   6          HD2       ARG   6  -4.827   1.524  -9.140
   45   2HD   ARG   6          HD1       ARG   6  -4.577   0.184 -10.258
   46    HE   ARG   6           HE       ARG   6  -6.890   1.872 -10.068
   47   1HH1  ARG   6          HH11      ARG   6  -5.730  -1.272 -11.041
   48   2HH1  ARG   6          HH12      ARG   6  -7.012  -1.533 -12.175
   49   1HH2  ARG   6          HH21      ARG   6  -8.578   1.531 -11.558
   50   2HH2  ARG   6          HH22      ARG   6  -8.629   0.059 -12.469
   51    H    MET   7           HN       MET   7  -3.891   1.093  -7.301
   52    HA   MET   7           HA       MET   7  -1.319   1.808  -8.037
   53   1HB   MET   7          HB2       MET   7  -3.619   3.181  -7.704
   54   2HB   MET   7          HB1       MET   7  -2.748   3.717  -6.273
   55   1HG   MET   7          HG2       MET   7  -0.823   4.237  -7.881
   56   2HG   MET   7          HG1       MET   7  -2.032   4.089  -9.155
   57   1HE   MET   7          HE1       MET   7  -4.515   5.593  -8.811
   58   2HE   MET   7          HE2       MET   7  -3.271   5.908 -10.021
   59   3HE   MET   7          HE3       MET   7  -3.972   7.244  -9.108
   60    H    CYS   8           HN       CYS   8  -2.699   1.462  -4.794
   61    HA   CYS   8           HA       CYS   8  -0.539   2.445  -3.324
   62   1HB   CYS   8          HB2       CYS   8  -2.852   0.706  -2.791
   63   2HB   CYS   8          HB1       CYS   8  -1.470   0.399  -1.747
   64    H    GLN   9           HN       GLN   9  -1.211  -0.798  -4.576
   65    HA   GLN   9           HA       GLN   9   0.855  -2.276  -3.545
   66   1HB   GLN   9          HB2       GLN   9  -0.863  -2.407  -5.837
   67   2HB   GLN   9          HB1       GLN   9   0.751  -2.910  -6.300
   68   1HG   GLN   9          HG2       GLN   9  -0.919  -4.070  -4.079
   69   2HG   GLN   9          HG1       GLN   9  -0.565  -4.822  -5.634
   70   1HE2  GLN   9          HE21      GLN   9   2.043  -4.497  -5.988
   71   2HE2  GLN   9          HE22      GLN   9   2.953  -5.246  -4.724
   72    H    LEU  10           HN       LEU  10   0.914  -0.012  -6.222
   73    HA   LEU  10           HA       LEU  10   3.419  -0.381  -7.204
   74   1HB   LEU  10          HB2       LEU  10   1.412   1.278  -7.743
   75   2HB   LEU  10          HB1       LEU  10   2.431   2.385  -6.865
   76    HG   LEU  10           HG       LEU  10   2.861   2.641  -9.218
   77   1HD1  LEU  10          HD11      LEU  10   4.771   2.760  -7.624
   78   2HD1  LEU  10          HD12      LEU  10   5.230   2.329  -9.271
   79   3HD1  LEU  10          HD13      LEU  10   5.146   1.084  -8.024
   80   1HD2  LEU  10          HD21      LEU  10   2.910  -0.317  -9.148
   81   2HD2  LEU  10          HD22      LEU  10   4.027   0.478 -10.258
   82   3HD2  LEU  10          HD23      LEU  10   2.294   0.781 -10.383
   83    H    SER  11           HN       SER  11   2.353   1.886  -4.737
   84    HA   SER  11           HA       SER  11   4.786   2.996  -3.992
   85   1HB   SER  11          HB2       SER  11   2.176   2.587  -2.633
   86   2HB   SER  11          HB1       SER  11   3.553   2.947  -1.592
   87    HG   SER  11           HG       SER  11   2.847   4.911  -2.145
   88    H    CYS  12           HN       CYS  12   3.474  -0.133  -3.224
   89    HA   CYS  12           HA       CYS  12   5.464  -0.726  -1.242
   90   1HB   CYS  12          HB2       CYS  12   2.999  -1.713  -1.850
   91   2HB   CYS  12          HB1       CYS  12   4.032  -2.916  -2.586
   92    H    ARG  13           HN       ARG  13   4.795  -1.447  -4.615
   93    HA   ARG  13           HA       ARG  13   6.899  -3.215  -5.132
   94   1HB   ARG  13          HB2       ARG  13   4.986  -2.638  -6.680
   95   2HB   ARG  13          HB1       ARG  13   5.838  -1.149  -7.066
   96   1HG   ARG  13          HG2       ARG  13   7.804  -2.840  -7.592
   97   2HG   ARG  13          HG1       ARG  13   6.449  -3.944  -7.840
   98   1HD   ARG  13          HD2       ARG  13   6.628  -1.234  -9.137
   99   2HD   ARG  13          HD1       ARG  13   7.250  -2.703  -9.887
  100    HE   ARG  13           HE       ARG  13   4.507  -2.911  -9.065
  101   1HH1  ARG  13          HH11      ARG  13   6.649  -1.873 -11.617
  102   2HH1  ARG  13          HH12      ARG  13   5.448  -2.021 -12.855
  103   1HH2  ARG  13          HH21      ARG  13   2.926  -3.106 -10.692
  104   2HH2  ARG  13          HH22      ARG  13   3.334  -2.720 -12.331
  105    H    LYS  14           HN       LYS  14   6.770   0.304  -5.139
  106    HA   LYS  14           HA       LYS  14   9.537   0.570  -5.920
  107   1HB   LYS  14          HB2       LYS  14   7.237   2.346  -5.544
  108   2HB   LYS  14          HB1       LYS  14   8.751   3.040  -4.980
  109   1HG   LYS  14          HG2       LYS  14   9.697   3.026  -7.090
  110   2HG   LYS  14          HG1       LYS  14   8.593   1.786  -7.687
  111   1HD   LYS  14          HD2       LYS  14   6.804   3.313  -7.851
  112   2HD   LYS  14          HD1       LYS  14   7.642   4.519  -6.873
  113   1HE   LYS  14          HE2       LYS  14   9.351   4.686  -8.686
  114   2HE   LYS  14          HE1       LYS  14   8.337   3.629  -9.668
  115   1HZ   LYS  14          HZ1       LYS  14   7.870   5.865 -10.267
  116   2HZ   LYS  14          HZ2       LYS  14   7.655   6.333  -8.656
  117   3HZ   LYS  14          HZ3       LYS  14   6.536   5.300  -9.392
  118    H    SER  15           HN       SER  15   7.629   1.393  -3.013
  119    HA   SER  15           HA       SER  15   9.824   2.083  -1.412
  120   1HB   SER  15          HB2       SER  15   7.468   2.659  -0.883
  121   2HB   SER  15          HB1       SER  15   7.171   0.967  -0.484
  122    HG   SER  15           HG       SER  15   8.199   2.881   1.060
  123    H    LEU  16           HN       LEU  16   7.850  -0.874  -1.057
  124    HA   LEU  16           HA       LEU  16  10.196  -2.535  -0.864
  125   1HB   LEU  16          HB2       LEU  16   9.073  -1.391   1.512
  126   2HB   LEU  16          HB1       LEU  16   8.836  -3.128   1.544
  127    HG   LEU  16           HG       LEU  16  11.430  -3.055   0.837
  128   1HD1  LEU  16          HD11      LEU  16  12.123  -0.917   0.930
  129   2HD1  LEU  16          HD12      LEU  16  12.210  -1.232   2.663
  130   3HD1  LEU  16          HD13      LEU  16  10.799  -0.420   1.983
  131   1HD2  LEU  16          HD21      LEU  16  10.570  -4.349   2.668
  132   2HD2  LEU  16          HD22      LEU  16  10.278  -2.892   3.617
  133   3HD2  LEU  16          HD23      LEU  16  11.930  -3.387   3.248
  134    H    GLY  17           HN       GLY  17   9.759  -4.627  -1.341
  135   1HA   GLY  17          HA2       GLY  17   7.114  -5.289  -2.287
  136   2HA   GLY  17          HA1       GLY  17   8.526  -6.341  -2.296
  137    H    CYS  18           HN       CYS  18   6.557  -4.709   0.150
  138    HA   CYS  18           HA       CYS  18   5.985  -7.395   1.108
  139   1HB   CYS  18          HB2       CYS  18   6.230  -4.981   2.840
  140   2HB   CYS  18          HB1       CYS  18   5.344  -6.478   3.175
  141    H    LEU  19           HN       LEU  19   4.409  -7.651   0.156
  142    HA   LEU  19           HA       LEU  19   2.305  -6.266  -0.735
  143   1HB   LEU  19          HB2       LEU  19   2.071  -8.322  -1.481
  144   2HB   LEU  19          HB1       LEU  19   3.138  -8.941  -0.276
  145    HG   LEU  19           HG       LEU  19   1.289  -9.096   1.293
  146   1HD1  LEU  19          HD11      LEU  19  -0.945  -9.217  -0.387
  147   2HD1  LEU  19          HD12      LEU  19  -0.123  -7.714  -0.807
  148   3HD1  LEU  19          HD13      LEU  19  -0.614  -8.014   0.860
  149   1HD2  LEU  19          HD21      LEU  19   0.735 -10.658  -1.217
  150   2HD2  LEU  19          HD22      LEU  19   0.452 -11.155   0.451
  151   3HD2  LEU  19          HD23      LEU  19   2.101 -10.982  -0.150
  152    H    LEU  20           HN       LEU  20   2.959  -7.271   2.547
  153    HA   LEU  20           HA       LEU  20   0.298  -6.819   3.514
  154   1HB   LEU  20          HB2       LEU  20   1.633  -8.398   4.694
  155   2HB   LEU  20          HB1       LEU  20   2.955  -7.259   4.861
  156    HG   LEU  20           HG       LEU  20   1.472  -5.879   6.338
  157   1HD1  LEU  20          HD11      LEU  20  -0.600  -6.548   7.000
  158   2HD1  LEU  20          HD12      LEU  20  -0.244  -8.260   6.770
  159   3HD1  LEU  20          HD13      LEU  20  -0.587  -7.236   5.376
  160   1HD2  LEU  20          HD21      LEU  20   3.180  -7.723   7.025
  161   2HD2  LEU  20          HD22      LEU  20   1.736  -8.608   7.517
  162   3HD2  LEU  20          HD23      LEU  20   2.093  -7.036   8.232
  163    H    GLY  21           HN       GLY  21  -0.329  -5.138   4.957
  164   1HA   GLY  21          HA2       GLY  21   0.998  -2.961   5.854
  165   2HA   GLY  21          HA1       GLY  21   0.708  -2.558   4.179
  166    H    LYS  22           HN       LYS  22  -0.528  -0.840   4.818
  167    HA   LYS  22           HA       LYS  22  -3.319  -1.480   5.141
  168   1HB   LYS  22          HB2       LYS  22  -1.756  -0.286   7.397
  169   2HB   LYS  22          HB1       LYS  22  -3.442   0.159   7.173
  170   1HG   LYS  22          HG2       LYS  22  -3.755  -2.460   7.069
  171   2HG   LYS  22          HG1       LYS  22  -2.253  -2.433   7.996
  172   1HD   LYS  22          HD2       LYS  22  -4.794  -0.969   8.712
  173   2HD   LYS  22          HD1       LYS  22  -4.220  -2.461   9.459
  174   1HE   LYS  22          HE2       LYS  22  -2.420  -1.395  10.489
  175   2HE   LYS  22          HE1       LYS  22  -2.507  -0.003   9.409
  176   1HZ   LYS  22          HZ1       LYS  22  -4.104   0.965  10.643
  177   2HZ   LYS  22          HZ2       LYS  22  -3.466   0.006  11.882
  178   3HZ   LYS  22          HZ3       LYS  22  -4.853  -0.495  11.054
  179    H    CYS  23           HN       CYS  23  -4.691   0.144   4.566
  180    HA   CYS  23           HA       CYS  23  -3.429   2.614   3.575
  181   1HB   CYS  23          HB2       CYS  23  -4.308   1.007   1.823
  182   2HB   CYS  23          HB1       CYS  23  -5.921   1.333   2.448
  183    H    ILE  24           HN       ILE  24  -4.506   4.565   3.890
  184    HA   ILE  24           HA       ILE  24  -6.993   4.552   5.441
  185    HB   ILE  24           HB       ILE  24  -4.404   5.182   6.541
  186   1HG1  ILE  24          HG12      ILE  24  -6.156   3.794   7.574
  187   2HG1  ILE  24          HG11      ILE  24  -5.629   5.102   8.628
  188   1HG2  ILE  24          HG21      ILE  24  -6.409   7.377   6.970
  189   2HG2  ILE  24          HG22      ILE  24  -5.100   7.510   5.799
  190   3HG2  ILE  24          HG23      ILE  24  -4.733   7.301   7.507
  191   1HD1  ILE  24          HD11      ILE  24  -7.976   4.970   8.812
  192   2HD1  ILE  24          HD12      ILE  24  -8.181   4.910   7.061
  193   3HD1  ILE  24          HD13      ILE  24  -7.630   6.396   7.834
  194    H    GLY  25           HN       GLY  25  -7.676   6.659   5.760
  195   1HA   GLY  25          HA2       GLY  25  -9.023   7.973   4.102
  196   2HA   GLY  25          HA1       GLY  25  -7.864   8.862   5.083
  197    H    ASP  26           HN       ASP  26  -5.857   8.886   4.475
  198    HA   ASP  26           HA       ASP  26  -5.459   9.294   1.588
  199   1HB   ASP  26          HB2       ASP  26  -5.913  11.506   2.600
  200   2HB   ASP  26          HB1       ASP  26  -4.591  11.244   3.734
  201    H    LYS  27           HN       LYS  27  -4.716   7.563   4.066
  202    HA   LYS  27           HA       LYS  27  -1.818   7.610   3.771
  203   1HB   LYS  27          HB2       LYS  27  -3.161   7.439   5.966
  204   2HB   LYS  27          HB1       LYS  27  -3.359   5.785   5.443
  205   1HG   LYS  27          HG2       LYS  27  -1.153   5.251   5.760
  206   2HG   LYS  27          HG1       LYS  27  -0.625   6.922   5.548
  207   1HD   LYS  27          HD2       LYS  27  -2.086   7.232   7.758
  208   2HD   LYS  27          HD1       LYS  27  -1.642   5.537   7.965
  209   1HE   LYS  27          HE2       LYS  27   0.199   6.397   8.934
  210   2HE   LYS  27          HE1       LYS  27   0.745   6.591   7.269
  211   1HZ   LYS  27          HZ1       LYS  27  -0.421   8.861   7.441
  212   2HZ   LYS  27          HZ2       LYS  27   1.087   8.668   8.181
  213   3HZ   LYS  27          HZ3       LYS  27  -0.323   8.625   9.114
  214    H    CYS  28           HN       CYS  28  -0.815   5.619   3.824
  215    HA   CYS  28           HA       CYS  28  -1.733   3.184   2.873
  216   1HB   CYS  28          HB2       CYS  28  -2.401   4.347   0.831
  217   2HB   CYS  28          HB1       CYS  28  -0.771   4.980   0.634
  218    H    LYS  29           HN       LYS  29  -0.152   1.782   3.400
  219    HA   LYS  29           HA       LYS  29   2.541   2.132   2.592
  220   1HB   LYS  29          HB2       LYS  29   3.534   2.356   4.873
  221   2HB   LYS  29          HB1       LYS  29   2.678   3.788   4.317
  222   1HG   LYS  29          HG2       LYS  29   0.681   2.609   5.624
  223   2HG   LYS  29          HG1       LYS  29   2.037   1.928   6.524
  224   1HD   LYS  29          HD2       LYS  29   2.832   4.462   6.493
  225   2HD   LYS  29          HD1       LYS  29   1.096   4.739   6.333
  226   1HE   LYS  29          HE2       LYS  29   0.658   4.046   8.437
  227   2HE   LYS  29          HE1       LYS  29   1.893   2.788   8.391
  228   1HZ   LYS  29          HZ1       LYS  29   2.854   5.532   8.419
  229   2HZ   LYS  29          HZ2       LYS  29   3.454   4.166   9.216
  230   3HZ   LYS  29          HZ3       LYS  29   2.117   4.991   9.843
  231    H    CYS  30           HN       CYS  30   3.737   0.299   2.825
  232    HA   CYS  30           HA       CYS  30   2.341  -2.124   3.328
  233   1HB   CYS  30          HB2       CYS  30   5.341  -1.969   3.260
  234   2HB   CYS  30          HB1       CYS  30   4.284  -3.221   2.623
  235    H    TYR  31           HN       TYR  31   3.929  -3.750   4.878
  236    HA   TYR  31           HA       TYR  31   4.489  -2.420   7.225
  237   1HB   TYR  31          HB2       TYR  31   2.163  -4.129   6.890
  238   2HB   TYR  31          HB1       TYR  31   3.100  -4.455   8.344
  239    HD1  TYR  31           HD1      TYR  31   4.001  -1.682   8.998
  240    HD2  TYR  31           HD2      TYR  31   0.209  -3.157   7.755
  241    HE1  TYR  31           HE1      TYR  31   2.902   0.201  10.135
  242    HE2  TYR  31           HE2      TYR  31  -0.900  -1.277   8.888
  243    HH   TYR  31           HH       TYR  31  -0.414   0.942   9.679
  244    H    GLY  32           HN       GLY  32   3.890  -5.840   7.297
  245   1HA   GLY  32          HA2       GLY  32   6.814  -6.258   7.301
  246   2HA   GLY  32          HA1       GLY  32   5.757  -7.026   8.474
  247    H    CYS  33           HN       CYS  33   5.089  -6.628   5.028
  248    HA   CYS  33           HA       CYS  33   4.779  -8.166   3.359
  249   1HB   CYS  33          HB2       CYS  33   6.890  -9.433   5.036
  250   2HB   CYS  33          HB1       CYS  33   6.083 -10.448   3.848
  Start of MODEL   16
    1   1H    ALA   1          HT1       ALA   1 -13.722   0.288  -3.459
    2   2H    ALA   1          HT2       ALA   1 -14.411  -1.269  -3.240
    3   3H    ALA   1          HT3       ALA   1 -12.723  -1.104  -3.507
    4    HA   ALA   1           HA       ALA   1 -14.059   0.146  -1.225
    5   1HB   ALA   1          HB1       ALA   1 -12.816  -2.597  -1.222
    6   2HB   ALA   1          HB2       ALA   1 -14.554  -2.301  -1.282
    7   3HB   ALA   1          HB3       ALA   1 -13.617  -1.778   0.118
    8    H    PHE   2           HN       PHE   2 -12.514   0.541   0.494
    9    HA   PHE   2           HA       PHE   2 -10.550   1.352   1.304
   10   1HB   PHE   2          HB2       PHE   2  -9.865  -1.037  -0.131
   11   2HB   PHE   2          HB1       PHE   2  -8.583   0.150  -0.346
   12    HD1  PHE   2           HD2      PHE   2  -8.634   1.545   2.242
   13    HD2  PHE   2           HD1      PHE   2  -8.985  -2.597   1.334
   14    HE1  PHE   2           HE2      PHE   2  -7.739   0.986   4.464
   15    HE2  PHE   2           HE1      PHE   2  -8.091  -3.164   3.555
   16    HZ   PHE   2           HZ       PHE   2  -7.466  -1.371   5.123
   17    H    CYS   3           HN       CYS   3  -9.005   2.955   0.907
   18    HA   CYS   3           HA       CYS   3  -9.565   4.652  -1.290
   19   1HB   CYS   3          HB2       CYS   3  -7.342   5.790  -0.440
   20   2HB   CYS   3          HB1       CYS   3  -8.817   5.885   0.513
   21    H    ASN   4           HN       ASN   4  -9.252   3.188  -3.042
   22    HA   ASN   4           HA       ASN   4  -8.079   2.138  -4.708
   23   1HB   ASN   4          HB2       ASN   4  -7.443   4.826  -4.612
   24   2HB   ASN   4          HB1       ASN   4  -5.863   4.052  -4.690
   25   1HD2  ASN   4          HD21      ASN   4  -7.495   5.653  -6.632
   26   2HD2  ASN   4          HD22      ASN   4  -7.521   4.694  -8.068
   27    H    LEU   5           HN       LEU   5  -7.537   0.342  -3.372
   28    HA   LEU   5           HA       LEU   5  -5.036   0.232  -1.990
   29   1HB   LEU   5          HB2       LEU   5  -7.247  -1.144  -1.660
   30   2HB   LEU   5          HB1       LEU   5  -6.517  -2.219  -2.837
   31    HG   LEU   5           HG       LEU   5  -5.434  -1.483  -0.123
   32   1HD1  LEU   5          HD11      LEU   5  -6.925  -3.158   0.298
   33   2HD1  LEU   5          HD12      LEU   5  -5.498  -4.117  -0.097
   34   3HD1  LEU   5          HD13      LEU   5  -6.754  -3.865  -1.309
   35   1HD2  LEU   5          HD21      LEU   5  -3.534  -1.579  -1.532
   36   2HD2  LEU   5          HD22      LEU   5  -4.154  -2.990  -2.390
   37   3HD2  LEU   5          HD23      LEU   5  -3.625  -3.139  -0.715
   38    H    ARG   6           HN       ARG   6  -6.219  -1.248  -5.015
   39    HA   ARG   6           HA       ARG   6  -4.076  -2.709  -5.776
   40   1HB   ARG   6          HB2       ARG   6  -5.797  -2.870  -7.285
   41   2HB   ARG   6          HB1       ARG   6  -6.126  -1.145  -7.258
   42   1HG   ARG   6          HG2       ARG   6  -4.229  -0.720  -8.680
   43   2HG   ARG   6          HG1       ARG   6  -3.779  -2.426  -8.641
   44   1HD   ARG   6          HD2       ARG   6  -4.954  -2.526 -10.559
   45   2HD   ARG   6          HD1       ARG   6  -6.343  -2.605  -9.476
   46    HE   ARG   6           HE       ARG   6  -6.974  -0.540 -10.213
   47   1HH1  ARG   6          HH11      ARG   6  -3.609  -1.015 -11.005
   48   2HH1  ARG   6          HH12      ARG   6  -3.490   0.447 -11.925
   49   1HH2  ARG   6          HH21      ARG   6  -6.819   1.384 -11.422
   50   2HH2  ARG   6          HH22      ARG   6  -5.312   1.810 -12.161
   51    H    MET   7           HN       MET   7  -4.550   0.654  -6.819
   52    HA   MET   7           HA       MET   7  -1.997   1.048  -7.846
   53   1HB   MET   7          HB2       MET   7  -2.418   3.408  -7.719
   54   2HB   MET   7          HB1       MET   7  -3.933   2.611  -8.118
   55   1HG   MET   7          HG2       MET   7  -4.777   2.916  -5.931
   56   2HG   MET   7          HG1       MET   7  -3.199   3.407  -5.317
   57   1HE   MET   7          HE1       MET   7  -2.192   6.306  -6.258
   58   2HE   MET   7          HE2       MET   7  -2.583   5.337  -4.837
   59   3HE   MET   7          HE3       MET   7  -3.396   6.879  -5.104
   60    H    CYS   8           HN       CYS   8  -3.164   1.286  -4.532
   61    HA   CYS   8           HA       CYS   8  -0.942   2.503  -3.357
   62   1HB   CYS   8          HB2       CYS   8  -3.246   0.978  -2.466
   63   2HB   CYS   8          HB1       CYS   8  -1.822   0.602  -1.505
   64    H    GLN   9           HN       GLN   9  -1.654  -0.891  -4.020
   65    HA   GLN   9           HA       GLN   9   0.464  -2.199  -2.886
   66   1HB   GLN   9          HB2       GLN   9  -1.353  -2.681  -5.053
   67   2HB   GLN   9          HB1       GLN   9   0.243  -3.246  -5.508
   68   1HG   GLN   9          HG2       GLN   9  -1.059  -5.024  -4.491
   69   2HG   GLN   9          HG1       GLN   9   0.342  -4.620  -3.500
   70   1HE2  GLN   9          HE21      GLN   9  -2.635  -5.611  -3.185
   71   2HE2  GLN   9          HE22      GLN   9  -3.138  -4.774  -1.760
   72    H    LEU  10           HN       LEU  10   0.386  -0.369  -5.871
   73    HA   LEU  10           HA       LEU  10   2.867  -0.875  -6.862
   74   1HB   LEU  10          HB2       LEU  10   0.824   0.634  -7.640
   75   2HB   LEU  10          HB1       LEU  10   1.832   1.895  -6.978
   76    HG   LEU  10           HG       LEU  10   2.126   1.637  -9.411
   77   1HD1  LEU  10          HD11      LEU  10   3.956   2.491  -8.011
   78   2HD1  LEU  10          HD12      LEU  10   4.548   1.614  -9.421
   79   3HD1  LEU  10          HD13      LEU  10   4.570   0.848  -7.833
   80   1HD2  LEU  10          HD21      LEU  10   3.493  -0.977  -8.906
   81   2HD2  LEU  10          HD22      LEU  10   2.901  -0.300 -10.422
   82   3HD2  LEU  10          HD23      LEU  10   1.760  -0.916  -9.227
   83    H    SER  11           HN       SER  11   1.829   1.799  -4.828
   84    HA   SER  11           HA       SER  11   4.355   2.912  -4.310
   85   1HB   SER  11          HB2       SER  11   1.692   3.030  -2.948
   86   2HB   SER  11          HB1       SER  11   3.101   3.665  -2.100
   87    HG   SER  11           HG       SER  11   1.759   5.056  -3.658
   88    H    CYS  12           HN       CYS  12   2.778   0.120  -3.004
   89    HA   CYS  12           HA       CYS  12   4.450  -0.116  -0.701
   90   1HB   CYS  12          HB2       CYS  12   2.079  -1.190  -1.521
   91   2HB   CYS  12          HB1       CYS  12   3.175  -2.513  -1.825
   92    H    ARG  13           HN       ARG  13   4.297  -1.368  -3.968
   93    HA   ARG  13           HA       ARG  13   6.445  -3.206  -3.770
   94   1HB   ARG  13          HB2       ARG  13   4.786  -3.307  -5.578
   95   2HB   ARG  13          HB1       ARG  13   5.358  -1.764  -6.197
   96   1HG   ARG  13          HG2       ARG  13   7.654  -2.993  -6.337
   97   2HG   ARG  13          HG1       ARG  13   6.651  -4.445  -6.305
   98   1HD   ARG  13          HD2       ARG  13   6.613  -2.204  -8.312
   99   2HD   ARG  13          HD1       ARG  13   6.998  -3.902  -8.588
  100    HE   ARG  13           HE       ARG  13   4.386  -2.713  -8.473
  101   1HH1  ARG  13          HH11      ARG  13   6.198  -5.668  -8.068
  102   2HH1  ARG  13          HH12      ARG  13   4.836  -6.692  -8.373
  103   1HH2  ARG  13          HH21      ARG  13   2.593  -4.059  -8.873
  104   2HH2  ARG  13          HH22      ARG  13   2.789  -5.779  -8.831
  105    H    LYS  14           HN       LYS  14   6.264   0.098  -5.078
  106    HA   LYS  14           HA       LYS  14   9.015   0.345  -5.638
  107   1HB   LYS  14          HB2       LYS  14   6.672   2.043  -5.677
  108   2HB   LYS  14          HB1       LYS  14   8.055   2.915  -5.031
  109   1HG   LYS  14          HG2       LYS  14   9.344   2.378  -7.023
  110   2HG   LYS  14          HG1       LYS  14   7.981   1.461  -7.668
  111   1HD   LYS  14          HD2       LYS  14   6.705   3.374  -8.026
  112   2HD   LYS  14          HD1       LYS  14   7.656   4.336  -6.893
  113   1HE   LYS  14          HE2       LYS  14   8.806   3.242  -9.446
  114   2HE   LYS  14          HE1       LYS  14   7.995   4.805  -9.369
  115   1HZ   LYS  14          HZ1       LYS  14  10.590   4.526  -8.999
  116   2HZ   LYS  14          HZ2       LYS  14  10.085   4.312  -7.399
  117   3HZ   LYS  14          HZ3       LYS  14   9.691   5.734  -8.226
  118    H    SER  15           HN       SER  15   7.065   1.438  -2.868
  119    HA   SER  15           HA       SER  15   9.102   2.589  -1.365
  120   1HB   SER  15          HB2       SER  15   6.786   2.863  -0.726
  121   2HB   SER  15          HB1       SER  15   6.620   1.132  -0.431
  122    HG   SER  15           HG       SER  15   8.309   2.918   0.991
  123    H    LEU  16           HN       LEU  16   7.790  -0.714  -0.923
  124    HA   LEU  16           HA       LEU  16  10.458  -1.732  -0.429
  125   1HB   LEU  16          HB2       LEU  16   8.417  -1.392   1.715
  126   2HB   LEU  16          HB1       LEU  16   9.421  -2.830   1.746
  127    HG   LEU  16           HG       LEU  16  10.516  -0.019   1.691
  128   1HD1  LEU  16          HD11      LEU  16  11.056  -0.464   4.088
  129   2HD1  LEU  16          HD12      LEU  16  10.007  -1.879   4.003
  130   3HD1  LEU  16          HD13      LEU  16   9.336  -0.268   3.749
  131   1HD2  LEU  16          HD21      LEU  16  11.783  -2.275   0.966
  132   2HD2  LEU  16          HD22      LEU  16  12.075  -2.308   2.705
  133   3HD2  LEU  16          HD23      LEU  16  12.587  -0.916   1.751
  134    H    GLY  17           HN       GLY  17  10.654  -3.773  -1.127
  135   1HA   GLY  17          HA2       GLY  17   8.833  -5.095  -2.674
  136   2HA   GLY  17          HA1       GLY  17  10.088  -5.931  -1.770
  137    H    CYS  18           HN       CYS  18   8.631  -5.021   0.821
  138    HA   CYS  18           HA       CYS  18   6.895  -7.273   0.610
  139   1HB   CYS  18          HB2       CYS  18   6.798  -5.387   2.906
  140   2HB   CYS  18          HB1       CYS  18   6.140  -7.014   2.674
  141    H    LEU  19           HN       LEU  19   5.532  -7.040  -0.635
  142    HA   LEU  19           HA       LEU  19   4.013  -4.974  -1.520
  143   1HB   LEU  19          HB2       LEU  19   3.710  -6.667  -2.898
  144   2HB   LEU  19          HB1       LEU  19   4.250  -7.810  -1.724
  145    HG   LEU  19           HG       LEU  19   2.018  -7.899  -0.769
  146   1HD1  LEU  19          HD11      LEU  19   0.632  -6.857  -3.102
  147   2HD1  LEU  19          HD12      LEU  19   1.535  -5.609  -2.244
  148   3HD1  LEU  19          HD13      LEU  19   0.328  -6.569  -1.389
  149   1HD2  LEU  19          HD21      LEU  19   1.586  -8.593  -3.610
  150   2HD2  LEU  19          HD22      LEU  19   1.401  -9.579  -2.160
  151   3HD2  LEU  19          HD23      LEU  19   3.007  -9.281  -2.824
  152    H    LEU  20           HN       LEU  20   3.577  -6.967   1.331
  153    HA   LEU  20           HA       LEU  20   0.872  -6.534   1.848
  154   1HB   LEU  20          HB2       LEU  20   3.253  -7.177   3.513
  155   2HB   LEU  20          HB1       LEU  20   1.795  -6.664   4.341
  156    HG   LEU  20           HG       LEU  20   2.001  -9.119   4.194
  157   1HD1  LEU  20          HD11      LEU  20  -0.304  -8.236   2.490
  158   2HD1  LEU  20          HD12      LEU  20  -0.207  -7.839   4.205
  159   3HD1  LEU  20          HD13      LEU  20  -0.246  -9.526   3.691
  160   1HD2  LEU  20          HD21      LEU  20   1.981 -10.292   2.175
  161   2HD2  LEU  20          HD22      LEU  20   3.122  -8.977   1.892
  162   3HD2  LEU  20          HD23      LEU  20   1.482  -8.875   1.250
  163    H    GLY  21           HN       GLY  21  -0.218  -5.027   3.202
  164   1HA   GLY  21          HA2       GLY  21   0.806  -2.925   4.577
  165   2HA   GLY  21          HA1       GLY  21   0.701  -2.341   2.932
  166    H    LYS  22           HN       LYS  22  -0.726  -0.790   3.595
  167    HA   LYS  22           HA       LYS  22  -3.457  -1.463   3.276
  168   1HB   LYS  22          HB2       LYS  22  -4.173  -0.623   5.585
  169   2HB   LYS  22          HB1       LYS  22  -3.532  -2.257   5.484
  170   1HG   LYS  22          HG2       LYS  22  -1.689  -1.760   6.692
  171   2HG   LYS  22          HG1       LYS  22  -1.585  -0.114   6.062
  172   1HD   LYS  22          HD2       LYS  22  -3.796   0.204   7.455
  173   2HD   LYS  22          HD1       LYS  22  -3.168  -1.181   8.352
  174   1HE   LYS  22          HE2       LYS  22  -1.240   0.982   7.802
  175   2HE   LYS  22          HE1       LYS  22  -2.550   1.385   8.912
  176   1HZ   LYS  22          HZ1       LYS  22  -1.762   0.002  10.485
  177   2HZ   LYS  22          HZ2       LYS  22  -0.291   0.228   9.680
  178   3HZ   LYS  22          HZ3       LYS  22  -1.216  -1.155   9.377
  179    H    CYS  23           HN       CYS  23  -4.746   0.294   2.942
  180    HA   CYS  23           HA       CYS  23  -3.330   2.860   2.761
  181   1HB   CYS  23          HB2       CYS  23  -4.276   2.026   0.664
  182   2HB   CYS  23          HB1       CYS  23  -5.868   1.919   1.406
  183    H    ILE  24           HN       ILE  24  -4.380   4.808   3.392
  184    HA   ILE  24           HA       ILE  24  -6.693   4.556   5.181
  185    HB   ILE  24           HB       ILE  24  -3.979   5.056   6.041
  186   1HG1  ILE  24          HG12      ILE  24  -6.527   4.886   7.641
  187   2HG1  ILE  24          HG11      ILE  24  -5.676   3.483   7.002
  188   1HG2  ILE  24          HG21      ILE  24  -5.957   7.104   7.016
  189   2HG2  ILE  24          HG22      ILE  24  -4.740   7.446   5.790
  190   3HG2  ILE  24          HG23      ILE  24  -4.246   6.972   7.410
  191   1HD1  ILE  24          HD11      ILE  24  -3.752   3.978   8.351
  192   2HD1  ILE  24          HD12      ILE  24  -5.188   3.935   9.373
  193   3HD1  ILE  24          HD13      ILE  24  -4.484   5.483   8.906
  194    H    GLY  25           HN       GLY  25  -7.350   6.588   5.848
  195   1HA   GLY  25          HA2       GLY  25  -8.837   8.125   4.560
  196   2HA   GLY  25          HA1       GLY  25  -7.546   8.885   5.491
  197    H    ASP  26           HN       ASP  26  -5.653   8.967   4.669
  198    HA   ASP  26           HA       ASP  26  -5.480   9.590   1.806
  199   1HB   ASP  26          HB2       ASP  26  -4.207  11.707   2.390
  200   2HB   ASP  26          HB1       ASP  26  -5.939  11.760   2.703
  201    H    LYS  27           HN       LYS  27  -4.488   7.736   4.097
  202    HA   LYS  27           HA       LYS  27  -1.626   7.986   3.595
  203   1HB   LYS  27          HB2       LYS  27  -2.759   7.822   5.912
  204   2HB   LYS  27          HB1       LYS  27  -2.904   6.144   5.460
  205   1HG   LYS  27          HG2       LYS  27  -0.702   5.714   5.729
  206   2HG   LYS  27          HG1       LYS  27  -0.228   7.321   5.173
  207   1HD   LYS  27          HD2       LYS  27  -0.341   8.221   7.254
  208   2HD   LYS  27          HD1       LYS  27  -1.681   7.184   7.746
  209   1HE   LYS  27          HE2       LYS  27   0.288   5.354   7.475
  210   2HE   LYS  27          HE1       LYS  27   1.227   6.764   7.964
  211   1HZ   LYS  27          HZ1       LYS  27  -0.362   6.998   9.855
  212   2HZ   LYS  27          HZ2       LYS  27   0.602   5.610   9.918
  213   3HZ   LYS  27          HZ3       LYS  27  -1.015   5.495   9.433
  214    H    CYS  28           HN       CYS  28  -0.524   6.047   3.605
  215    HA   CYS  28           HA       CYS  28  -1.536   3.585   2.692
  216   1HB   CYS  28          HB2       CYS  28  -2.052   4.911   0.659
  217   2HB   CYS  28          HB1       CYS  28  -0.342   5.297   0.501
  218    H    LYS  29           HN       LYS  29  -0.044   2.111   3.224
  219    HA   LYS  29           HA       LYS  29   2.706   2.346   2.571
  220   1HB   LYS  29          HB2       LYS  29   3.555   2.466   4.942
  221   2HB   LYS  29          HB1       LYS  29   2.890   3.963   4.303
  222   1HG   LYS  29          HG2       LYS  29   0.918   3.748   5.577
  223   2HG   LYS  29          HG1       LYS  29   1.277   2.069   5.985
  224   1HD   LYS  29          HD2       LYS  29   3.190   4.218   6.784
  225   2HD   LYS  29          HD1       LYS  29   1.716   3.976   7.723
  226   1HE   LYS  29          HE2       LYS  29   2.325   1.610   8.025
  227   2HE   LYS  29          HE1       LYS  29   3.819   1.895   7.133
  228   1HZ   LYS  29          HZ1       LYS  29   4.749   3.000   8.860
  229   2HZ   LYS  29          HZ2       LYS  29   3.704   2.016   9.754
  230   3HZ   LYS  29          HZ3       LYS  29   3.280   3.620   9.426
  231    H    CYS  30           HN       CYS  30   3.869   0.514   2.969
  232    HA   CYS  30           HA       CYS  30   2.433  -1.886   3.117
  233   1HB   CYS  30          HB2       CYS  30   5.385  -1.421   3.566
  234   2HB   CYS  30          HB1       CYS  30   4.639  -2.988   3.281
  235    H    TYR  31           HN       TYR  31   3.131  -3.650   4.797
  236    HA   TYR  31           HA       TYR  31   2.394  -2.697   7.271
  237   1HB   TYR  31          HB2       TYR  31   2.441  -5.318   5.968
  238   2HB   TYR  31          HB1       TYR  31   2.642  -5.332   7.717
  239    HD1  TYR  31           HD1      TYR  31   0.885  -3.472   8.830
  240    HD2  TYR  31           HD2      TYR  31   0.289  -5.793   5.315
  241    HE1  TYR  31           HE1      TYR  31  -1.549  -3.269   9.116
  242    HE2  TYR  31           HE2      TYR  31  -2.146  -5.596   5.590
  243    HH   TYR  31           HH       TYR  31  -3.580  -3.404   7.757
  244    H    GLY  32           HN       GLY  32   4.882  -1.738   6.725
  245   1HA   GLY  32          HA2       GLY  32   7.008  -1.596   7.573
  246   2HA   GLY  32          HA1       GLY  32   6.405  -2.529   8.937
  247    H    CYS  33           HN       CYS  33   6.027  -4.006   5.867
  248    HA   CYS  33           HA       CYS  33   7.045  -5.754   4.839
  249   1HB   CYS  33          HB2       CYS  33   9.197  -4.168   5.767
  250   2HB   CYS  33          HB1       CYS  33   9.609  -5.837   6.140
  Start of MODEL   17
    1   1H    ALA   1          HT1       ALA   1 -12.222  -2.162  -3.234
    2   2H    ALA   1          HT2       ALA   1 -10.535  -2.193  -2.922
    3   3H    ALA   1          HT3       ALA   1 -11.247  -0.823  -3.672
    4    HA   ALA   1           HA       ALA   1 -12.395  -0.242  -1.754
    5   1HB   ALA   1          HB1       ALA   1 -11.276  -2.678  -0.391
    6   2HB   ALA   1          HB2       ALA   1 -12.873  -2.642  -1.138
    7   3HB   ALA   1          HB3       ALA   1 -12.503  -1.561   0.206
    8    H    PHE   2           HN       PHE   2 -11.339   0.336   0.484
    9    HA   PHE   2           HA       PHE   2  -9.670   1.416   1.586
   10   1HB   PHE   2          HB2       PHE   2  -8.232  -0.762   0.162
   11   2HB   PHE   2          HB1       PHE   2  -7.254   0.546   0.819
   12    HD1  PHE   2           HD2      PHE   2  -8.673   1.201   3.290
   13    HD2  PHE   2           HD1      PHE   2  -7.839  -2.582   1.528
   14    HE1  PHE   2           HE2      PHE   2  -8.762   0.150   5.513
   15    HE2  PHE   2           HE1      PHE   2  -7.926  -3.640   3.748
   16    HZ   PHE   2           HZ       PHE   2  -8.387  -2.273   5.744
   17    H    CYS   3           HN       CYS   3  -8.563   3.303   1.367
   18    HA   CYS   3           HA       CYS   3  -8.853   4.885  -0.839
   19   1HB   CYS   3          HB2       CYS   3  -6.577   5.974   0.143
   20   2HB   CYS   3          HB1       CYS   3  -8.168   6.234   0.840
   21    H    ASN   4           HN       ASN   4  -8.382   3.964  -2.792
   22    HA   ASN   4           HA       ASN   4  -7.154   3.150  -4.537
   23   1HB   ASN   4          HB2       ASN   4  -5.670   5.417  -3.370
   24   2HB   ASN   4          HB1       ASN   4  -4.727   4.383  -4.439
   25   1HD2  ASN   4          HD21      ASN   4  -5.756   3.896  -6.560
   26   2HD2  ASN   4          HD22      ASN   4  -6.612   5.178  -7.341
   27    H    LEU   5           HN       LEU   5  -7.042   1.021  -3.669
   28    HA   LEU   5           HA       LEU   5  -4.793   0.188  -2.104
   29   1HB   LEU   5          HB2       LEU   5  -7.234  -0.852  -2.488
   30   2HB   LEU   5          HB1       LEU   5  -6.343  -1.804  -3.660
   31    HG   LEU   5           HG       LEU   5  -5.865  -1.660  -0.688
   32   1HD1  LEU   5          HD11      LEU   5  -6.260  -4.143  -0.927
   33   2HD1  LEU   5          HD12      LEU   5  -6.844  -3.802  -2.556
   34   3HD1  LEU   5          HD13      LEU   5  -7.669  -3.107  -1.160
   35   1HD2  LEU   5          HD21      LEU   5  -4.088  -3.350  -1.120
   36   2HD2  LEU   5          HD22      LEU   5  -3.710  -1.741  -1.735
   37   3HD2  LEU   5          HD23      LEU   5  -4.243  -3.005  -2.843
   38    H    ARG   6           HN       ARG   6  -5.799  -0.893  -5.355
   39    HA   ARG   6           HA       ARG   6  -3.562  -2.173  -6.162
   40   1HB   ARG   6          HB2       ARG   6  -5.840  -1.328  -7.411
   41   2HB   ARG   6          HB1       ARG   6  -4.617  -0.373  -8.238
   42   1HG   ARG   6          HG2       ARG   6  -3.466  -2.829  -8.261
   43   2HG   ARG   6          HG1       ARG   6  -5.177  -3.246  -8.366
   44   1HD   ARG   6          HD2       ARG   6  -5.367  -1.598 -10.245
   45   2HD   ARG   6          HD1       ARG   6  -3.612  -1.440 -10.202
   46    HE   ARG   6           HE       ARG   6  -3.460  -3.420 -11.322
   47   1HH1  ARG   6          HH11      ARG   6  -6.621  -3.229  -9.854
   48   2HH1  ARG   6          HH12      ARG   6  -7.193  -4.682 -10.601
   49   1HH2  ARG   6          HH21      ARG   6  -4.211  -5.332 -12.306
   50   2HH2  ARG   6          HH22      ARG   6  -5.825  -5.877 -11.993
   51    H    MET   7           HN       MET   7  -4.141   1.270  -6.842
   52    HA   MET   7           HA       MET   7  -1.622   1.882  -7.825
   53   1HB   MET   7          HB2       MET   7  -3.538   3.434  -7.908
   54   2HB   MET   7          HB1       MET   7  -3.420   3.667  -6.169
   55   1HG   MET   7          HG2       MET   7  -0.911   4.304  -6.903
   56   2HG   MET   7          HG1       MET   7  -1.796   4.791  -8.347
   57   1HE   MET   7          HE1       MET   7  -4.191   6.239  -8.006
   58   2HE   MET   7          HE2       MET   7  -2.756   7.061  -8.618
   59   3HE   MET   7          HE3       MET   7  -3.756   7.832  -7.388
   60    H    CYS   8           HN       CYS   8  -2.760   1.823  -4.469
   61    HA   CYS   8           HA       CYS   8  -0.449   2.837  -3.264
   62   1HB   CYS   8          HB2       CYS   8  -2.766   1.231  -2.390
   63   2HB   CYS   8          HB1       CYS   8  -1.314   1.021  -1.419
   64    H    GLN   9           HN       GLN   9  -1.340  -0.447  -4.226
   65    HA   GLN   9           HA       GLN   9   0.728  -1.945  -3.215
   66   1HB   GLN   9          HB2       GLN   9  -1.145  -2.162  -5.377
   67   2HB   GLN   9          HB1       GLN   9   0.414  -2.767  -5.904
   68   1HG   GLN   9          HG2       GLN   9   0.443  -4.208  -3.854
   69   2HG   GLN   9          HG1       GLN   9  -1.224  -3.711  -3.566
   70   1HE2  GLN   9          HE21      GLN   9  -2.603  -3.925  -5.658
   71   2HE2  GLN   9          HE22      GLN   9  -2.464  -5.447  -6.464
   72    H    LEU  10           HN       LEU  10   0.694   0.119  -6.057
   73    HA   LEU  10           HA       LEU  10   3.114  -0.418  -7.164
   74   1HB   LEU  10          HB2       LEU  10   1.150   1.295  -7.684
   75   2HB   LEU  10          HB1       LEU  10   2.262   2.405  -6.934
   76    HG   LEU  10           HG       LEU  10   3.965   1.340  -8.668
   77   1HD1  LEU  10          HD11      LEU  10   2.843  -0.210  -9.879
   78   2HD1  LEU  10          HD12      LEU  10   2.416   1.210 -10.834
   79   3HD1  LEU  10          HD13      LEU  10   1.280   0.573  -9.644
   80   1HD2  LEU  10          HD21      LEU  10   1.905   3.464  -9.220
   81   2HD2  LEU  10          HD22      LEU  10   3.290   3.155 -10.267
   82   3HD2  LEU  10          HD23      LEU  10   3.543   3.677  -8.602
   83    H    SER  11           HN       SER  11   2.301   2.035  -4.783
   84    HA   SER  11           HA       SER  11   4.860   3.020  -4.246
   85   1HB   SER  11          HB2       SER  11   2.298   2.920  -2.711
   86   2HB   SER  11          HB1       SER  11   3.766   3.377  -1.847
   87    HG   SER  11           HG       SER  11   2.999   5.256  -2.634
   88    H    CYS  12           HN       CYS  12   3.354   0.059  -3.270
   89    HA   CYS  12           HA       CYS  12   5.239  -0.538  -1.199
   90   1HB   CYS  12          HB2       CYS  12   2.760  -1.439  -1.879
   91   2HB   CYS  12          HB1       CYS  12   3.768  -2.720  -2.512
   92    H    ARG  13           HN       ARG  13   4.685  -1.388  -4.567
   93    HA   ARG  13           HA       ARG  13   6.748  -3.260  -4.886
   94   1HB   ARG  13          HB2       ARG  13   4.901  -2.759  -6.530
   95   2HB   ARG  13          HB1       ARG  13   5.789  -1.312  -6.989
   96   1HG   ARG  13          HG2       ARG  13   7.730  -3.129  -7.296
   97   2HG   ARG  13          HG1       ARG  13   6.323  -4.146  -7.611
   98   1HD   ARG  13          HD2       ARG  13   6.124  -1.587  -8.955
   99   2HD   ARG  13          HD1       ARG  13   7.593  -2.449  -9.408
  100    HE   ARG  13           HE       ARG  13   6.312  -4.002 -10.506
  101   1HH1  ARG  13          HH11      ARG  13   4.250  -2.053  -8.475
  102   2HH1  ARG  13          HH12      ARG  13   2.783  -2.694  -9.135
  103   1HH2  ARG  13          HH21      ARG  13   4.384  -4.846 -11.376
  104   2HH2  ARG  13          HH22      ARG  13   2.859  -4.279 -10.782
  105    H    LYS  14           HN       LYS  14   6.712   0.254  -5.208
  106    HA   LYS  14           HA       LYS  14   9.491   0.408  -5.933
  107   1HB   LYS  14          HB2       LYS  14   7.236   2.244  -5.689
  108   2HB   LYS  14          HB1       LYS  14   8.732   2.936  -5.076
  109   1HG   LYS  14          HG2       LYS  14   9.823   2.620  -7.173
  110   2HG   LYS  14          HG1       LYS  14   8.464   1.683  -7.798
  111   1HD   LYS  14          HD2       LYS  14   7.053   3.600  -7.830
  112   2HD   LYS  14          HD1       LYS  14   8.227   4.555  -6.922
  113   1HE   LYS  14          HE2       LYS  14   9.726   3.815  -9.044
  114   2HE   LYS  14          HE1       LYS  14   8.130   3.889  -9.790
  115   1HZ   LYS  14          HZ1       LYS  14   7.927   6.133  -9.323
  116   2HZ   LYS  14          HZ2       LYS  14   9.560   5.998  -9.740
  117   3HZ   LYS  14          HZ3       LYS  14   9.110   6.110  -8.114
  118    H    SER  15           HN       SER  15   7.590   1.358  -3.065
  119    HA   SER  15           HA       SER  15   9.770   2.105  -1.473
  120   1HB   SER  15          HB2       SER  15   7.347   2.598  -1.001
  121   2HB   SER  15          HB1       SER  15   7.177   0.929  -0.458
  122    HG   SER  15           HG       SER  15   7.672   1.946   1.371
  123    H    LEU  16           HN       LEU  16   7.848  -0.883  -1.083
  124    HA   LEU  16           HA       LEU  16  10.202  -2.513  -0.886
  125   1HB   LEU  16          HB2       LEU  16   9.053  -1.364   1.511
  126   2HB   LEU  16          HB1       LEU  16   9.015  -3.116   1.566
  127    HG   LEU  16           HG       LEU  16  11.571  -1.816   0.773
  128   1HD1  LEU  16          HD11      LEU  16  12.177  -1.108   2.864
  129   2HD1  LEU  16          HD12      LEU  16  11.011  -2.152   3.677
  130   3HD1  LEU  16          HD13      LEU  16  10.465  -0.684   2.866
  131   1HD2  LEU  16          HD21      LEU  16  10.871  -4.372   1.085
  132   2HD2  LEU  16          HD22      LEU  16  11.358  -4.014   2.742
  133   3HD2  LEU  16          HD23      LEU  16  12.499  -3.781   1.417
  134    H    GLY  17           HN       GLY  17   9.767  -4.593  -1.334
  135   1HA   GLY  17          HA2       GLY  17   7.142  -5.318  -2.228
  136   2HA   GLY  17          HA1       GLY  17   8.552  -6.367  -2.164
  137    H    CYS  18           HN       CYS  18   6.468  -4.657   0.153
  138    HA   CYS  18           HA       CYS  18   5.985  -7.315   1.232
  139   1HB   CYS  18          HB2       CYS  18   5.664  -4.887   2.917
  140   2HB   CYS  18          HB1       CYS  18   5.452  -6.609   3.257
  141    H    LEU  19           HN       LEU  19   4.517  -7.749   0.231
  142    HA   LEU  19           HA       LEU  19   2.363  -6.567  -0.896
  143   1HB   LEU  19          HB2       LEU  19   3.180  -9.162  -0.357
  144   2HB   LEU  19          HB1       LEU  19   1.591  -9.060   0.359
  145    HG   LEU  19           HG       LEU  19   2.306  -8.513  -2.511
  146   1HD1  LEU  19          HD11      LEU  19   2.273 -10.868  -2.019
  147   2HD1  LEU  19          HD12      LEU  19   0.826 -10.453  -2.939
  148   3HD1  LEU  19          HD13      LEU  19   0.720 -10.714  -1.198
  149   1HD2  LEU  19          HD21      LEU  19   0.568  -7.054  -2.268
  150   2HD2  LEU  19          HD22      LEU  19  -0.148  -7.955  -0.932
  151   3HD2  LEU  19          HD23      LEU  19  -0.336  -8.534  -2.587
  152    H    LEU  20           HN       LEU  20   2.797  -7.279   2.497
  153    HA   LEU  20           HA       LEU  20   0.074  -6.795   3.248
  154   1HB   LEU  20          HB2       LEU  20   2.645  -7.042   4.787
  155   2HB   LEU  20          HB1       LEU  20   1.130  -6.637   5.572
  156    HG   LEU  20           HG       LEU  20   1.723  -9.044   5.724
  157   1HD1  LEU  20          HD11      LEU  20  -0.790  -7.993   4.590
  158   2HD1  LEU  20          HD12      LEU  20  -0.502  -8.901   6.074
  159   3HD1  LEU  20          HD13      LEU  20  -0.571  -9.742   4.525
  160   1HD2  LEU  20          HD21      LEU  20   1.662 -10.460   3.814
  161   2HD2  LEU  20          HD22      LEU  20   2.765  -9.135   3.443
  162   3HD2  LEU  20          HD23      LEU  20   1.133  -9.138   2.773
  163    H    GLY  21           HN       GLY  21  -0.623  -5.082   4.626
  164   1HA   GLY  21          HA2       GLY  21   0.662  -2.777   5.259
  165   2HA   GLY  21          HA1       GLY  21   0.082  -2.504   3.633
  166    H    LYS  22           HN       LYS  22  -1.187  -0.854   4.390
  167    HA   LYS  22           HA       LYS  22  -3.858  -1.571   4.934
  168   1HB   LYS  22          HB2       LYS  22  -2.741  -1.987   7.193
  169   2HB   LYS  22          HB1       LYS  22  -2.563  -0.241   7.305
  170   1HG   LYS  22          HG2       LYS  22  -4.926   0.076   7.278
  171   2HG   LYS  22          HG1       LYS  22  -5.202  -1.627   6.905
  172   1HD   LYS  22          HD2       LYS  22  -3.624  -1.108   9.335
  173   2HD   LYS  22          HD1       LYS  22  -5.305  -0.574   9.399
  174   1HE   LYS  22          HE2       LYS  22  -6.128  -2.730   9.082
  175   2HE   LYS  22          HE1       LYS  22  -4.601  -3.318   8.425
  176   1HZ   LYS  22          HZ1       LYS  22  -4.619  -2.354  11.187
  177   2HZ   LYS  22          HZ2       LYS  22  -3.717  -3.600  10.485
  178   3HZ   LYS  22          HZ3       LYS  22  -5.344  -3.851  10.874
  179    H    CYS  23           HN       CYS  23  -5.277   0.102   4.740
  180    HA   CYS  23           HA       CYS  23  -4.098   2.681   3.954
  181   1HB   CYS  23          HB2       CYS  23  -5.802   1.079   2.540
  182   2HB   CYS  23          HB1       CYS  23  -6.937   2.171   3.325
  183    H    ILE  24           HN       ILE  24  -5.094   4.636   4.654
  184    HA   ILE  24           HA       ILE  24  -6.975   4.434   6.910
  185    HB   ILE  24           HB       ILE  24  -4.617   6.271   7.036
  186   1HG1  ILE  24          HG12      ILE  24  -3.720   4.532   8.726
  187   2HG1  ILE  24          HG11      ILE  24  -4.785   3.394   7.910
  188   1HG2  ILE  24          HG21      ILE  24  -6.771   5.379   8.872
  189   2HG2  ILE  24          HG22      ILE  24  -6.106   6.992   8.606
  190   3HG2  ILE  24          HG23      ILE  24  -5.204   5.812   9.556
  191   1HD1  ILE  24          HD11      ILE  24  -2.200   4.441   7.109
  192   2HD1  ILE  24          HD12      ILE  24  -3.411   4.545   5.833
  193   3HD1  ILE  24          HD13      ILE  24  -3.053   2.991   6.582
  194    H    GLY  25           HN       GLY  25  -7.643   6.480   7.517
  195   1HA   GLY  25          HA2       GLY  25  -9.444   7.835   6.471
  196   2HA   GLY  25          HA1       GLY  25  -8.026   8.729   7.026
  197    H    ASP  26           HN       ASP  26  -6.372   8.808   5.815
  198    HA   ASP  26           HA       ASP  26  -6.819   9.122   2.941
  199   1HB   ASP  26          HB2       ASP  26  -7.075  11.332   4.482
  200   2HB   ASP  26          HB1       ASP  26  -5.338  11.358   4.197
  201    H    LYS  27           HN       LYS  27  -5.227   7.610   5.146
  202    HA   LYS  27           HA       LYS  27  -2.577   8.002   3.989
  203   1HB   LYS  27          HB2       LYS  27  -3.120   8.138   6.503
  204   2HB   LYS  27          HB1       LYS  27  -3.222   6.405   6.344
  205   1HG   LYS  27          HG2       LYS  27  -0.986   6.132   6.109
  206   2HG   LYS  27          HG1       LYS  27  -0.792   7.674   5.274
  207   1HD   LYS  27          HD2       LYS  27  -1.423   7.469   8.211
  208   2HD   LYS  27          HD1       LYS  27   0.227   7.523   7.586
  209   1HE   LYS  27          HE2       LYS  27   0.077   9.712   6.991
  210   2HE   LYS  27          HE1       LYS  27  -1.646   9.608   6.631
  211   1HZ   LYS  27          HZ1       LYS  27  -0.487   9.626   9.365
  212   2HZ   LYS  27          HZ2       LYS  27  -2.132   9.633   8.973
  213   3HZ   LYS  27          HZ3       LYS  27  -1.168  10.970   8.595
  214    H    CYS  28           HN       CYS  28  -1.319   6.158   4.013
  215    HA   CYS  28           HA       CYS  28  -2.361   3.544   3.611
  216   1HB   CYS  28          HB2       CYS  28  -3.222   4.538   1.544
  217   2HB   CYS  28          HB1       CYS  28  -1.604   5.082   1.118
  218    H    LYS  29           HN       LYS  29  -0.758   2.056   3.781
  219    HA   LYS  29           HA       LYS  29   1.896   2.486   2.872
  220   1HB   LYS  29          HB2       LYS  29   1.237   3.408   5.565
  221   2HB   LYS  29          HB1       LYS  29   2.566   2.257   5.542
  222   1HG   LYS  29          HG2       LYS  29   2.722   4.381   3.519
  223   2HG   LYS  29          HG1       LYS  29   2.842   4.919   5.195
  224   1HD   LYS  29          HD2       LYS  29   4.794   3.759   5.570
  225   2HD   LYS  29          HD1       LYS  29   4.452   2.569   4.312
  226   1HE   LYS  29          HE2       LYS  29   4.640   4.818   2.827
  227   2HE   LYS  29          HE1       LYS  29   5.764   5.201   4.131
  228   1HZ   LYS  29          HZ1       LYS  29   5.858   2.855   2.318
  229   2HZ   LYS  29          HZ2       LYS  29   6.844   3.026   3.681
  230   3HZ   LYS  29          HZ3       LYS  29   6.969   4.128   2.405
  231    H    CYS  30           HN       CYS  30   3.143   0.672   2.967
  232    HA   CYS  30           HA       CYS  30   1.810  -1.795   3.204
  233   1HB   CYS  30          HB2       CYS  30   4.803  -1.446   3.304
  234   2HB   CYS  30          HB1       CYS  30   3.894  -2.820   2.684
  235    H    TYR  31           HN       TYR  31   3.280  -3.545   4.608
  236    HA   TYR  31           HA       TYR  31   2.622  -2.943   7.206
  237   1HB   TYR  31          HB2       TYR  31   2.973  -5.312   5.697
  238   2HB   TYR  31          HB1       TYR  31   3.990  -5.416   7.129
  239    HD1  TYR  31           HD1      TYR  31   0.761  -3.622   6.991
  240    HD2  TYR  31           HD2      TYR  31   2.790  -7.143   8.249
  241    HE1  TYR  31           HE1      TYR  31  -1.200  -4.266   8.326
  242    HE2  TYR  31           HE2      TYR  31   0.834  -7.797   9.588
  243    HH   TYR  31           HH       TYR  31  -2.157  -6.545   9.210
  244    H    GLY  32           HN       GLY  32   4.358  -1.122   6.883
  245   1HA   GLY  32          HA2       GLY  32   6.238  -0.295   7.965
  246   2HA   GLY  32          HA1       GLY  32   6.634  -1.932   8.471
  247    H    CYS  33           HN       CYS  33   6.043  -2.281   5.279
  248    HA   CYS  33           HA       CYS  33   8.553  -1.229   4.279
  249   1HB   CYS  33          HB2       CYS  33   9.213  -3.584   3.471
  250   2HB   CYS  33          HB1       CYS  33   9.516  -3.177   5.156
  Start of MODEL   18
    1   1H    ALA   1          HT1       ALA   1 -14.613   3.122  -0.316
    2   2H    ALA   1          HT2       ALA   1 -14.455   3.502   1.350
    3   3H    ALA   1          HT3       ALA   1 -15.882   2.744   0.772
    4    HA   ALA   1           HA       ALA   1 -14.193   1.349   1.969
    5   1HB   ALA   1          HB1       ALA   1 -14.507  -0.451   0.077
    6   2HB   ALA   1          HB2       ALA   1 -15.583   0.772  -0.599
    7   3HB   ALA   1          HB3       ALA   1 -15.881   0.132   1.017
    8    H    PHE   2           HN       PHE   2 -12.046   1.580   2.154
    9    HA   PHE   2           HA       PHE   2  -9.828   1.493   1.661
   10   1HB   PHE   2          HB2       PHE   2 -11.093  -0.422  -0.080
   11   2HB   PHE   2          HB1       PHE   2  -9.716   0.309  -0.899
   12    HD1  PHE   2           HD1      PHE   2  -7.849   0.756   1.306
   13    HD2  PHE   2           HD2      PHE   2 -10.410  -2.549   0.511
   14    HE1  PHE   2           HE1      PHE   2  -6.324  -0.720   2.550
   15    HE2  PHE   2           HE2      PHE   2  -8.890  -4.031   1.755
   16    HZ   PHE   2           HZ       PHE   2  -6.844  -3.116   2.777
   17    H    CYS   3           HN       CYS   3  -8.182   2.494   0.402
   18    HA   CYS   3           HA       CYS   3  -9.215   4.464  -1.532
   19   1HB   CYS   3          HB2       CYS   3  -7.015   5.719  -0.687
   20   2HB   CYS   3          HB1       CYS   3  -8.566   5.904   0.121
   21    H    ASN   4           HN       ASN   4  -8.767   2.960  -3.216
   22    HA   ASN   4           HA       ASN   4  -7.517   2.008  -4.866
   23   1HB   ASN   4          HB2       ASN   4  -6.804   4.596  -4.740
   24   2HB   ASN   4          HB1       ASN   4  -5.242   3.859  -4.395
   25   1HD2  ASN   4          HD21      ASN   4  -5.321   5.294  -6.585
   26   2HD2  ASN   4          HD22      ASN   4  -5.377   4.312  -8.006
   27    H    LEU   5           HN       LEU   5  -7.198   0.080  -3.652
   28    HA   LEU   5           HA       LEU   5  -4.918  -0.293  -1.983
   29   1HB   LEU   5          HB2       LEU   5  -7.184  -1.625  -2.165
   30   2HB   LEU   5          HB1       LEU   5  -6.287  -2.578  -3.331
   31    HG   LEU   5           HG       LEU   5  -6.283  -3.545  -1.048
   32   1HD1  LEU   5          HD11      LEU   5  -4.392  -3.739  -2.809
   33   2HD1  LEU   5          HD12      LEU   5  -4.098  -4.290  -1.160
   34   3HD1  LEU   5          HD13      LEU   5  -3.482  -2.725  -1.690
   35   1HD2  LEU   5          HD21      LEU   5  -6.049  -1.072  -0.104
   36   2HD2  LEU   5          HD22      LEU   5  -4.338  -1.498  -0.143
   37   3HD2  LEU   5          HD23      LEU   5  -5.470  -2.479   0.789
   38    H    ARG   6           HN       ARG   6  -5.692  -1.664  -5.193
   39    HA   ARG   6           HA       ARG   6  -3.374  -2.916  -5.795
   40   1HB   ARG   6          HB2       ARG   6  -5.039  -1.193  -7.636
   41   2HB   ARG   6          HB1       ARG   6  -3.794  -2.306  -8.186
   42   1HG   ARG   6          HG2       ARG   6  -5.530  -3.711  -8.404
   43   2HG   ARG   6          HG1       ARG   6  -5.271  -3.971  -6.677
   44   1HD   ARG   6          HD2       ARG   6  -7.157  -2.874  -6.095
   45   2HD   ARG   6          HD1       ARG   6  -6.986  -1.682  -7.382
   46    HE   ARG   6           HE       ARG   6  -7.702  -4.302  -8.321
   47   1HH1  ARG   6          HH11      ARG   6  -8.921  -1.278  -7.077
   48   2HH1  ARG   6          HH12      ARG   6 -10.488  -1.474  -7.788
   49   1HH2  ARG   6          HH21      ARG   6  -9.762  -4.561  -9.257
   50   2HH2  ARG   6          HH22      ARG   6 -10.966  -3.338  -9.025
   51    H    MET   7           HN       MET   7  -4.006   0.467  -6.695
   52    HA   MET   7           HA       MET   7  -1.456   1.139  -7.527
   53   1HB   MET   7          HB2       MET   7  -3.637   2.536  -7.557
   54   2HB   MET   7          HB1       MET   7  -3.147   3.068  -5.954
   55   1HG   MET   7          HG2       MET   7  -2.130   4.711  -7.076
   56   2HG   MET   7          HG1       MET   7  -0.870   3.505  -7.329
   57   1HE   MET   7          HE1       MET   7  -2.726   6.049  -8.496
   58   2HE   MET   7          HE2       MET   7  -3.371   5.760 -10.112
   59   3HE   MET   7          HE3       MET   7  -1.665   6.153  -9.900
   60    H    CYS   8           HN       CYS   8  -2.813   1.161  -4.258
   61    HA   CYS   8           HA       CYS   8  -0.663   2.306  -2.902
   62   1HB   CYS   8          HB2       CYS   8  -2.997   0.706  -2.209
   63   2HB   CYS   8          HB1       CYS   8  -1.621   0.341  -1.176
   64    H    GLN   9           HN       GLN   9  -1.306  -1.062  -3.772
   65    HA   GLN   9           HA       GLN   9   0.799  -2.376  -2.588
   66   1HB   GLN   9          HB2       GLN   9  -0.962  -2.826  -4.809
   67   2HB   GLN   9          HB1       GLN   9   0.649  -3.374  -5.230
   68   1HG   GLN   9          HG2       GLN   9   0.512  -5.152  -3.896
   69   2HG   GLN   9          HG1       GLN   9  -0.166  -4.212  -2.567
   70   1HE2  GLN   9          HE21      GLN   9  -1.124  -5.370  -5.785
   71   2HE2  GLN   9          HE22      GLN   9  -2.710  -5.873  -5.319
   72    H    LEU  10           HN       LEU  10   0.781  -0.490  -5.548
   73    HA   LEU  10           HA       LEU  10   3.265  -0.952  -6.540
   74   1HB   LEU  10          HB2       LEU  10   1.231   0.628  -7.201
   75   2HB   LEU  10          HB1       LEU  10   2.265   1.830  -6.485
   76    HG   LEU  10           HG       LEU  10   3.454   0.039  -8.543
   77   1HD1  LEU  10          HD11      LEU  10   2.679   1.664 -10.295
   78   2HD1  LEU  10          HD12      LEU  10   1.512   2.264  -9.116
   79   3HD1  LEU  10          HD13      LEU  10   1.435   0.588  -9.660
   80   1HD2  LEU  10          HD21      LEU  10   4.863   1.869  -8.962
   81   2HD2  LEU  10          HD22      LEU  10   4.673   1.833  -7.209
   82   3HD2  LEU  10          HD23      LEU  10   3.768   3.002  -8.171
   83    H    SER  11           HN       SER  11   2.243   1.552  -4.299
   84    HA   SER  11           HA       SER  11   4.634   2.808  -3.752
   85   1HB   SER  11          HB2       SER  11   2.148   3.090  -2.776
   86   2HB   SER  11          HB1       SER  11   2.888   2.266  -1.403
   87    HG   SER  11           HG       SER  11   4.510   3.909  -1.429
   88    H    CYS  12           HN       CYS  12   3.468  -0.268  -2.557
   89    HA   CYS  12           HA       CYS  12   5.543  -0.638  -0.631
   90   1HB   CYS  12          HB2       CYS  12   3.141  -1.799  -1.105
   91   2HB   CYS  12          HB1       CYS  12   4.206  -2.983  -1.827
   92    H    ARG  13           HN       ARG  13   4.886  -1.711  -3.914
   93    HA   ARG  13           HA       ARG  13   7.135  -3.356  -4.266
   94   1HB   ARG  13          HB2       ARG  13   5.091  -3.169  -5.768
   95   2HB   ARG  13          HB1       ARG  13   5.832  -1.724  -6.443
   96   1HG   ARG  13          HG2       ARG  13   7.523  -2.905  -7.471
   97   2HG   ARG  13          HG1       ARG  13   7.368  -4.281  -6.376
   98   1HD   ARG  13          HD2       ARG  13   6.524  -4.854  -8.578
   99   2HD   ARG  13          HD1       ARG  13   5.211  -4.841  -7.401
  100    HE   ARG  13           HE       ARG  13   4.249  -3.100  -8.538
  101   1HH1  ARG  13          HH11      ARG  13   7.544  -3.480  -9.623
  102   2HH1  ARG  13          HH12      ARG  13   7.376  -2.355 -10.928
  103   1HH2  ARG  13          HH21      ARG  13   4.026  -1.620 -10.254
  104   2HH2  ARG  13          HH22      ARG  13   5.379  -1.298 -11.286
  105    H    LYS  14           HN       LYS  14   6.634   0.085  -4.942
  106    HA   LYS  14           HA       LYS  14   9.281   0.506  -5.929
  107   1HB   LYS  14          HB2       LYS  14   6.875   2.106  -5.475
  108   2HB   LYS  14          HB1       LYS  14   8.357   2.986  -5.129
  109   1HG   LYS  14          HG2       LYS  14   9.181   2.581  -7.348
  110   2HG   LYS  14          HG1       LYS  14   7.806   1.534  -7.707
  111   1HD   LYS  14          HD2       LYS  14   6.291   3.350  -7.667
  112   2HD   LYS  14          HD1       LYS  14   7.482   4.422  -6.926
  113   1HE   LYS  14          HE2       LYS  14   7.802   3.215  -9.667
  114   2HE   LYS  14          HE1       LYS  14   7.073   4.794  -9.379
  115   1HZ   LYS  14          HZ1       LYS  14   9.661   4.444  -9.843
  116   2HZ   LYS  14          HZ2       LYS  14   9.670   4.344  -8.155
  117   3HZ   LYS  14          HZ3       LYS  14   9.055   5.724  -8.916
  118    H    SER  15           HN       SER  15   7.634   1.444  -2.906
  119    HA   SER  15           HA       SER  15   9.847   2.546  -1.618
  120   1HB   SER  15          HB2       SER  15   7.559   2.815  -0.781
  121   2HB   SER  15          HB1       SER  15   7.492   1.098  -0.383
  122    HG   SER  15           HG       SER  15   9.457   2.829   0.688
  123    H    LEU  16           HN       LEU  16   8.481  -0.698  -0.985
  124    HA   LEU  16           HA       LEU  16  11.219  -1.604  -0.375
  125   1HB   LEU  16          HB2       LEU  16   8.665  -1.997   1.099
  126   2HB   LEU  16          HB1       LEU  16   9.810  -3.325   1.087
  127    HG   LEU  16           HG       LEU  16  10.009  -1.859   3.079
  128   1HD1  LEU  16          HD11      LEU  16  11.949  -3.112   1.767
  129   2HD1  LEU  16          HD12      LEU  16  12.258  -2.140   3.207
  130   3HD1  LEU  16          HD13      LEU  16  12.547  -1.461   1.605
  131   1HD2  LEU  16          HD21      LEU  16  11.251   0.224   1.335
  132   2HD2  LEU  16          HD22      LEU  16  10.613   0.366   2.973
  133   3HD2  LEU  16          HD23      LEU  16   9.508   0.226   1.605
  134    H    GLY  17           HN       GLY  17   8.241  -3.517  -0.500
  135   1HA   GLY  17          HA2       GLY  17   8.080  -4.501  -2.983
  136   2HA   GLY  17          HA1       GLY  17   9.507  -5.339  -2.385
  137    H    CYS  18           HN       CYS  18   8.281  -5.563   0.379
  138    HA   CYS  18           HA       CYS  18   6.737  -7.812  -0.449
  139   1HB   CYS  18          HB2       CYS  18   6.702  -6.878   2.364
  140   2HB   CYS  18          HB1       CYS  18   6.288  -8.419   1.599
  141    H    LEU  19           HN       LEU  19   5.212  -7.351  -1.406
  142    HA   LEU  19           HA       LEU  19   3.405  -5.309  -1.288
  143   1HB   LEU  19          HB2       LEU  19   3.130  -6.358  -3.210
  144   2HB   LEU  19          HB1       LEU  19   3.892  -7.790  -2.624
  145    HG   LEU  19           HG       LEU  19   1.846  -8.635  -1.776
  146   1HD1  LEU  19          HD11      LEU  19  -0.109  -6.976  -2.985
  147   2HD1  LEU  19          HD12      LEU  19   0.945  -5.940  -2.022
  148   3HD1  LEU  19          HD13      LEU  19   0.128  -7.309  -1.269
  149   1HD2  LEU  19          HD21      LEU  19   1.151  -7.780  -4.547
  150   2HD2  LEU  19          HD22      LEU  19   0.993  -9.364  -3.788
  151   3HD2  LEU  19          HD23      LEU  19   2.583  -8.770  -4.266
  152    H    LEU  20           HN       LEU  20   2.632  -4.871   0.755
  153    HA   LEU  20           HA       LEU  20   0.317  -6.112   1.633
  154   1HB   LEU  20          HB2       LEU  20   1.382  -8.006   2.413
  155   2HB   LEU  20          HB1       LEU  20   2.848  -7.140   2.831
  156    HG   LEU  20           HG       LEU  20   1.651  -6.131   4.753
  157   1HD1  LEU  20          HD11      LEU  20  -0.458  -7.618   5.351
  158   2HD1  LEU  20          HD12      LEU  20  -0.569  -7.718   3.593
  159   3HD1  LEU  20          HD13      LEU  20  -0.594  -6.145   4.390
  160   1HD2  LEU  20          HD21      LEU  20   2.928  -8.454   4.641
  161   2HD2  LEU  20          HD22      LEU  20   1.335  -9.060   5.095
  162   3HD2  LEU  20          HD23      LEU  20   2.154  -7.881   6.119
  163    H    GLY  21           HN       GLY  21  -0.725  -4.702   2.954
  164   1HA   GLY  21          HA2       GLY  21   0.300  -3.215   4.984
  165   2HA   GLY  21          HA1       GLY  21   0.461  -2.208   3.567
  166    H    LYS  22           HN       LYS  22  -0.905  -0.730   4.474
  167    HA   LYS  22           HA       LYS  22  -3.717  -1.299   3.981
  168   1HB   LYS  22          HB2       LYS  22  -2.628  -0.550   6.681
  169   2HB   LYS  22          HB1       LYS  22  -4.280  -0.159   6.224
  170   1HG   LYS  22          HG2       LYS  22  -4.682  -2.562   5.790
  171   2HG   LYS  22          HG1       LYS  22  -3.056  -2.904   6.385
  172   1HD   LYS  22          HD2       LYS  22  -5.233  -1.544   7.972
  173   2HD   LYS  22          HD1       LYS  22  -4.799  -3.250   8.102
  174   1HE   LYS  22          HE2       LYS  22  -3.462  -2.526   9.762
  175   2HE   LYS  22          HE1       LYS  22  -2.379  -2.099   8.438
  176   1HZ   LYS  22          HZ1       LYS  22  -3.230   0.140   8.475
  177   2HZ   LYS  22          HZ2       LYS  22  -2.693  -0.277  10.023
  178   3HZ   LYS  22          HZ3       LYS  22  -4.349  -0.256   9.681
  179    H    CYS  23           HN       CYS  23  -4.912   0.466   3.431
  180    HA   CYS  23           HA       CYS  23  -3.391   2.955   3.065
  181   1HB   CYS  23          HB2       CYS  23  -4.251   1.915   1.007
  182   2HB   CYS  23          HB1       CYS  23  -5.887   1.985   1.651
  183    H    ILE  24           HN       ILE  24  -4.426   4.978   3.444
  184    HA   ILE  24           HA       ILE  24  -6.833   4.954   5.139
  185    HB   ILE  24           HB       ILE  24  -4.681   6.815   5.919
  186   1HG1  ILE  24          HG12      ILE  24  -4.663   3.921   6.814
  187   2HG1  ILE  24          HG11      ILE  24  -3.500   4.621   5.692
  188   1HG2  ILE  24          HG21      ILE  24  -6.424   7.163   7.302
  189   2HG2  ILE  24          HG22      ILE  24  -5.722   5.810   8.189
  190   3HG2  ILE  24          HG23      ILE  24  -7.063   5.534   7.078
  191   1HD1  ILE  24          HD11      ILE  24  -2.247   5.260   7.392
  192   2HD1  ILE  24          HD12      ILE  24  -3.414   4.560   8.514
  193   3HD1  ILE  24          HD13      ILE  24  -3.571   6.244   8.016
  194    H    GLY  25           HN       GLY  25  -7.427   7.069   5.579
  195   1HA   GLY  25          HA2       GLY  25  -8.823   8.507   4.067
  196   2HA   GLY  25          HA1       GLY  25  -7.553   9.316   4.988
  197    H    ASP  26           HN       ASP  26  -5.615   9.276   4.256
  198    HA   ASP  26           HA       ASP  26  -5.286   9.582   1.363
  199   1HB   ASP  26          HB2       ASP  26  -5.805  11.835   2.523
  200   2HB   ASP  26          HB1       ASP  26  -4.194  11.688   3.218
  201    H    LYS  27           HN       LYS  27  -4.460   7.960   3.887
  202    HA   LYS  27           HA       LYS  27  -1.574   8.086   3.481
  203   1HB   LYS  27          HB2       LYS  27  -2.789   8.242   5.756
  204   2HB   LYS  27          HB1       LYS  27  -2.970   6.526   5.509
  205   1HG   LYS  27          HG2       LYS  27  -0.729   6.088   5.758
  206   2HG   LYS  27          HG1       LYS  27  -0.267   7.722   5.277
  207   1HD   LYS  27          HD2       LYS  27  -1.827   7.314   7.791
  208   2HD   LYS  27          HD1       LYS  27  -0.093   6.982   7.780
  209   1HE   LYS  27          HE2       LYS  27   0.068   9.170   8.292
  210   2HE   LYS  27          HE1       LYS  27  -0.135   9.384   6.554
  211   1HZ   LYS  27          HZ1       LYS  27  -2.581   9.195   8.113
  212   2HZ   LYS  27          HZ2       LYS  27  -2.204  10.202   6.808
  213   3HZ   LYS  27          HZ3       LYS  27  -1.656  10.591   8.360
  214    H    CYS  28           HN       CYS  28  -0.536   6.131   3.768
  215    HA   CYS  28           HA       CYS  28  -1.607   3.609   3.119
  216   1HB   CYS  28          HB2       CYS  28  -1.995   4.710   0.923
  217   2HB   CYS  28          HB1       CYS  28  -0.262   4.990   0.788
  218    H    LYS  29           HN       LYS  29  -0.163   2.075   3.691
  219    HA   LYS  29           HA       LYS  29   2.643   2.359   3.242
  220   1HB   LYS  29          HB2       LYS  29   1.892   3.816   5.367
  221   2HB   LYS  29          HB1       LYS  29   2.112   2.261   6.158
  222   1HG   LYS  29          HG2       LYS  29   4.389   2.362   4.754
  223   2HG   LYS  29          HG1       LYS  29   4.102   4.089   4.977
  224   1HD   LYS  29          HD2       LYS  29   4.058   2.087   7.229
  225   2HD   LYS  29          HD1       LYS  29   5.496   2.997   6.761
  226   1HE   LYS  29          HE2       LYS  29   4.753   4.473   8.289
  227   2HE   LYS  29          HE1       LYS  29   3.695   4.998   6.980
  228   1HZ   LYS  29          HZ1       LYS  29   2.802   4.314   9.374
  229   2HZ   LYS  29          HZ2       LYS  29   2.728   2.800   8.624
  230   3HZ   LYS  29          HZ3       LYS  29   1.887   4.111   7.965
  231    H    CYS  30           HN       CYS  30   3.774   0.498   3.566
  232    HA   CYS  30           HA       CYS  30   2.284  -1.910   3.643
  233   1HB   CYS  30          HB2       CYS  30   5.266  -1.688   4.035
  234   2HB   CYS  30          HB1       CYS  30   4.360  -3.034   3.351
  235    H    TYR  31           HN       TYR  31   3.070  -3.741   5.221
  236    HA   TYR  31           HA       TYR  31   2.513  -2.836   7.757
  237   1HB   TYR  31          HB2       TYR  31   2.302  -5.330   6.379
  238   2HB   TYR  31          HB1       TYR  31   3.059  -5.564   7.950
  239    HD1  TYR  31           HD1      TYR  31   1.614  -3.411   9.480
  240    HD2  TYR  31           HD2      TYR  31   0.200  -6.328   6.725
  241    HE1  TYR  31           HE1      TYR  31  -0.597  -3.344  10.553
  242    HE2  TYR  31           HE2      TYR  31  -2.016  -6.268   7.789
  243    HH   TYR  31           HH       TYR  31  -2.574  -4.697  10.786
  244    H    GLY  32           HN       GLY  32   4.800  -5.357   6.989
  245   1HA   GLY  32          HA2       GLY  32   6.848  -3.910   8.544
  246   2HA   GLY  32          HA1       GLY  32   6.629  -5.654   8.646
  247    H    CYS  33           HN       CYS  33   6.067  -4.525   5.512
  248    HA   CYS  33           HA       CYS  33   8.693  -4.282   4.516
  249   1HB   CYS  33          HB2       CYS  33   8.847  -6.651   5.237
  250   2HB   CYS  33          HB1       CYS  33   7.501  -7.043   4.175
  Start of MODEL   19
    1   1H    ALA   1          HT1       ALA   1 -13.407   1.032  -3.398
    2   2H    ALA   1          HT2       ALA   1 -14.462  -0.302  -3.622
    3   3H    ALA   1          HT3       ALA   1 -12.815  -0.420  -4.090
    4    HA   ALA   1           HA       ALA   1 -13.894  -0.166  -1.367
    5   1HB   ALA   1          HB1       ALA   1 -12.539  -2.396  -2.866
    6   2HB   ALA   1          HB2       ALA   1 -14.153  -2.389  -2.154
    7   3HB   ALA   1          HB3       ALA   1 -12.729  -2.381  -1.113
    8    H    PHE   2           HN       PHE   2 -12.539   0.533   0.169
    9    HA   PHE   2           HA       PHE   2 -10.690   1.388   1.181
   10   1HB   PHE   2          HB2       PHE   2  -9.776  -0.900  -0.290
   11   2HB   PHE   2          HB1       PHE   2  -8.536   0.348  -0.338
   12    HD1  PHE   2           HD2      PHE   2  -8.857   1.617   2.286
   13    HD2  PHE   2           HD1      PHE   2  -8.977  -2.491   1.185
   14    HE1  PHE   2           HE2      PHE   2  -8.136   0.992   4.554
   15    HE2  PHE   2           HE1      PHE   2  -8.256  -3.124   3.451
   16    HZ   PHE   2           HZ       PHE   2  -7.834  -1.381   5.139
   17    H    CYS   3           HN       CYS   3  -9.192   3.072   0.990
   18    HA   CYS   3           HA       CYS   3  -9.644   4.847  -1.167
   19   1HB   CYS   3          HB2       CYS   3  -7.542   6.024  -0.082
   20   2HB   CYS   3          HB1       CYS   3  -9.098   6.029   0.735
   21    H    ASN   4           HN       ASN   4  -9.127   3.479  -2.948
   22    HA   ASN   4           HA       ASN   4  -7.778   2.543  -4.548
   23   1HB   ASN   4          HB2       ASN   4  -7.167   5.289  -4.173
   24   2HB   ASN   4          HB1       ASN   4  -5.646   4.463  -4.494
   25   1HD2  ASN   4          HD21      ASN   4  -6.858   6.345  -6.197
   26   2HD2  ASN   4          HD22      ASN   4  -7.274   5.544  -7.669
   27    H    LEU   5           HN       LEU   5  -7.239   0.754  -3.197
   28    HA   LEU   5           HA       LEU   5  -4.728   0.771  -1.775
   29   1HB   LEU   5          HB2       LEU   5  -6.952  -0.595  -1.338
   30   2HB   LEU   5          HB1       LEU   5  -6.179  -1.753  -2.404
   31    HG   LEU   5           HG       LEU   5  -5.153  -0.748   0.245
   32   1HD1  LEU   5          HD11      LEU   5  -5.774  -2.729   1.125
   33   2HD1  LEU   5          HD12      LEU   5  -5.445  -3.618  -0.362
   34   3HD1  LEU   5          HD13      LEU   5  -6.941  -2.700  -0.196
   35   1HD2  LEU   5          HD21      LEU   5  -3.247  -2.267  -0.120
   36   2HD2  LEU   5          HD22      LEU   5  -3.279  -0.936  -1.277
   37   3HD2  LEU   5          HD23      LEU   5  -3.807  -2.545  -1.769
   38    H    ARG   6           HN       ARG   6  -5.997  -0.885  -4.664
   39    HA   ARG   6           HA       ARG   6  -3.910  -2.427  -5.413
   40   1HB   ARG   6          HB2       ARG   6  -6.191  -1.696  -6.626
   41   2HB   ARG   6          HB1       ARG   6  -5.053  -0.760  -7.586
   42   1HG   ARG   6          HG2       ARG   6  -4.349  -3.587  -7.142
   43   2HG   ARG   6          HG1       ARG   6  -5.761  -3.281  -8.155
   44   1HD   ARG   6          HD2       ARG   6  -3.311  -1.688  -8.675
   45   2HD   ARG   6          HD1       ARG   6  -3.300  -3.386  -9.148
   46    HE   ARG   6           HE       ARG   6  -4.609  -1.284 -10.493
   47   1HH1  ARG   6          HH11      ARG   6  -5.094  -4.608  -9.547
   48   2HH1  ARG   6          HH12      ARG   6  -6.166  -4.957 -10.861
   49   1HH2  ARG   6          HH21      ARG   6  -6.020  -1.741 -12.222
   50   2HH2  ARG   6          HH22      ARG   6  -6.692  -3.329 -12.380
   51    H    MET   7           HN       MET   7  -4.300   0.919  -6.540
   52    HA   MET   7           HA       MET   7  -1.770   1.181  -7.675
   53   1HB   MET   7          HB2       MET   7  -2.096   3.577  -7.566
   54   2HB   MET   7          HB1       MET   7  -3.622   2.808  -7.978
   55   1HG   MET   7          HG2       MET   7  -4.446   3.106  -5.751
   56   2HG   MET   7          HG1       MET   7  -2.877   3.691  -5.201
   57   1HE   MET   7          HE1       MET   7  -1.847   6.228  -6.647
   58   2HE   MET   7          HE2       MET   7  -2.235   5.812  -4.978
   59   3HE   MET   7          HE3       MET   7  -2.890   7.284  -5.695
   60    H    CYS   8           HN       CYS   8  -2.820   1.664  -4.335
   61    HA   CYS   8           HA       CYS   8  -0.460   2.786  -3.336
   62   1HB   CYS   8          HB2       CYS   8  -2.806   1.411  -2.208
   63   2HB   CYS   8          HB1       CYS   8  -1.344   1.257  -1.242
   64    H    GLN   9           HN       GLN   9  -1.442  -0.570  -3.829
   65    HA   GLN   9           HA       GLN   9   0.594  -1.974  -2.634
   66   1HB   GLN   9          HB2       GLN   9  -1.299  -2.429  -4.739
   67   2HB   GLN   9          HB1       GLN   9   0.240  -3.137  -5.189
   68   1HG   GLN   9          HG2       GLN   9  -0.425  -4.908  -4.017
   69   2HG   GLN   9          HG1       GLN   9  -0.035  -3.947  -2.591
   70   1HE2  GLN   9          HE21      GLN   9  -1.567  -4.745  -1.244
   71   2HE2  GLN   9          HE22      GLN   9  -3.265  -4.546  -1.488
   72    H    LEU  10           HN       LEU  10   0.589  -0.303  -5.720
   73    HA   LEU  10           HA       LEU  10   2.984  -1.047  -6.762
   74   1HB   LEU  10          HB2       LEU  10   1.055   0.631  -7.489
   75   2HB   LEU  10          HB1       LEU  10   2.206   1.802  -6.908
   76    HG   LEU  10           HG       LEU  10   3.851   0.448  -8.500
   77   1HD1  LEU  10          HD11      LEU  10   2.659  -1.189  -9.506
   78   2HD1  LEU  10          HD12      LEU  10   2.249   0.119 -10.615
   79   3HD1  LEU  10          HD13      LEU  10   1.127  -0.334  -9.333
   80   1HD2  LEU  10          HD21      LEU  10   2.058   2.243 -10.005
   81   2HD2  LEU  10          HD22      LEU  10   3.810   2.289  -9.806
   82   3HD2  LEU  10          HD23      LEU  10   2.760   2.902  -8.527
   83    H    SER  11           HN       SER  11   2.256   1.721  -4.722
   84    HA   SER  11           HA       SER  11   4.785   2.782  -4.355
   85   1HB   SER  11          HB2       SER  11   2.246   2.863  -2.882
   86   2HB   SER  11          HB1       SER  11   3.660   3.116  -1.860
   87    HG   SER  11           HG       SER  11   2.754   5.045  -2.863
   88    H    CYS  12           HN       CYS  12   3.399  -0.083  -2.940
   89    HA   CYS  12           HA       CYS  12   5.480  -0.435  -1.004
   90   1HB   CYS  12          HB2       CYS  12   2.976  -1.435  -1.300
   91   2HB   CYS  12          HB1       CYS  12   3.923  -2.761  -1.937
   92    H    ARG  13           HN       ARG  13   4.613  -1.757  -4.155
   93    HA   ARG  13           HA       ARG  13   6.669  -3.614  -4.457
   94   1HB   ARG  13          HB2       ARG  13   4.717  -3.354  -5.988
   95   2HB   ARG  13          HB1       ARG  13   5.464  -1.901  -6.639
   96   1HG   ARG  13          HG2       ARG  13   7.487  -3.589  -7.011
   97   2HG   ARG  13          HG1       ARG  13   6.154  -4.746  -7.060
   98   1HD   ARG  13          HD2       ARG  13   6.098  -2.216  -8.673
   99   2HD   ARG  13          HD1       ARG  13   6.909  -3.665  -9.265
  100    HE   ARG  13           HE       ARG  13   4.206  -4.125  -8.403
  101   1HH1  ARG  13          HH11      ARG  13   6.228  -3.141 -11.071
  102   2HH1  ARG  13          HH12      ARG  13   5.067  -3.584 -12.277
  103   1HH2  ARG  13          HH21      ARG  13   2.678  -4.708  -9.988
  104   2HH2  ARG  13          HH22      ARG  13   3.051  -4.473 -11.663
  105    H    LYS  14           HN       LYS  14   6.598  -0.157  -5.175
  106    HA   LYS  14           HA       LYS  14   9.313  -0.120  -6.132
  107   1HB   LYS  14          HB2       LYS  14   7.084   1.769  -5.925
  108   2HB   LYS  14          HB1       LYS  14   8.648   2.501  -5.593
  109   1HG   LYS  14          HG2       LYS  14   8.707   2.784  -7.814
  110   2HG   LYS  14          HG1       LYS  14   9.227   1.098  -7.826
  111   1HD   LYS  14          HD2       LYS  14   6.561   0.756  -7.795
  112   2HD   LYS  14          HD1       LYS  14   6.654   2.303  -8.639
  113   1HE   LYS  14          HE2       LYS  14   8.152   1.346 -10.287
  114   2HE   LYS  14          HE1       LYS  14   8.168  -0.187  -9.417
  115   1HZ   LYS  14          HZ1       LYS  14   5.552   0.821 -10.183
  116   2HZ   LYS  14          HZ2       LYS  14   6.153  -0.759 -10.208
  117   3HZ   LYS  14          HZ3       LYS  14   6.548   0.315 -11.454
  118    H    SER  15           HN       SER  15   7.642   1.260  -3.293
  119    HA   SER  15           HA       SER  15   9.953   2.164  -1.994
  120   1HB   SER  15          HB2       SER  15   7.671   2.888  -1.388
  121   2HB   SER  15          HB1       SER  15   7.348   1.284  -0.731
  122    HG   SER  15           HG       SER  15   9.483   2.913   0.166
  123    H    LEU  16           HN       LEU  16   7.999  -0.666  -1.018
  124    HA   LEU  16           HA       LEU  16  10.499  -2.062  -0.350
  125   1HB   LEU  16          HB2       LEU  16   8.066  -1.941   1.432
  126   2HB   LEU  16          HB1       LEU  16   9.518  -2.874   1.740
  127    HG   LEU  16           HG       LEU  16   9.657   0.108   1.431
  128   1HD1  LEU  16          HD11      LEU  16   9.191  -1.336   4.032
  129   2HD1  LEU  16          HD12      LEU  16   7.938  -0.467   3.144
  130   3HD1  LEU  16          HD13      LEU  16   9.335   0.404   3.778
  131   1HD2  LEU  16          HD21      LEU  16  11.802  -0.705   1.458
  132   2HD2  LEU  16          HD22      LEU  16  11.389  -2.071   2.494
  133   3HD2  LEU  16          HD23      LEU  16  11.528  -0.453   3.181
  134    H    GLY  17           HN       GLY  17  10.531  -3.773  -1.645
  135   1HA   GLY  17          HA2       GLY  17   8.502  -4.961  -3.048
  136   2HA   GLY  17          HA1       GLY  17   9.929  -5.833  -2.513
  137    H    CYS  18           HN       CYS  18   8.868  -5.323   0.401
  138    HA   CYS  18           HA       CYS  18   7.304  -7.694   0.197
  139   1HB   CYS  18          HB2       CYS  18   7.468  -6.047   2.672
  140   2HB   CYS  18          HB1       CYS  18   6.831  -7.674   2.380
  141    H    LEU  19           HN       LEU  19   5.764  -7.470  -0.804
  142    HA   LEU  19           HA       LEU  19   3.891  -5.402  -1.025
  143   1HB   LEU  19          HB2       LEU  19   4.341  -7.945  -2.163
  144   2HB   LEU  19          HB1       LEU  19   2.690  -7.939  -1.588
  145    HG   LEU  19           HG       LEU  19   3.914  -5.965  -3.506
  146   1HD1  LEU  19          HD11      LEU  19   3.530  -7.729  -4.876
  147   2HD1  LEU  19          HD12      LEU  19   1.896  -7.065  -4.859
  148   3HD1  LEU  19          HD13      LEU  19   2.305  -8.428  -3.817
  149   1HD2  LEU  19          HD21      LEU  19   1.913  -4.801  -3.563
  150   2HD2  LEU  19          HD22      LEU  19   2.088  -5.169  -1.848
  151   3HD2  LEU  19          HD23      LEU  19   1.000  -6.130  -2.850
  152    H    LEU  20           HN       LEU  20   2.821  -4.664   0.704
  153    HA   LEU  20           HA       LEU  20   0.632  -5.872   1.810
  154   1HB   LEU  20          HB2       LEU  20   1.547  -6.389   4.147
  155   2HB   LEU  20          HB1       LEU  20   1.812  -7.574   2.883
  156    HG   LEU  20           HG       LEU  20   4.029  -5.736   2.981
  157   1HD1  LEU  20          HD11      LEU  20   4.043  -5.310   5.187
  158   2HD1  LEU  20          HD12      LEU  20   4.687  -6.947   5.306
  159   3HD1  LEU  20          HD13      LEU  20   2.966  -6.655   5.562
  160   1HD2  LEU  20          HD21      LEU  20   4.589  -7.715   2.021
  161   2HD2  LEU  20          HD22      LEU  20   3.519  -8.653   3.063
  162   3HD2  LEU  20          HD23      LEU  20   5.073  -8.087   3.676
  163    H    GLY  21           HN       GLY  21  -0.383  -4.581   3.422
  164   1HA   GLY  21          HA2       GLY  21   0.629  -2.623   4.989
  165   2HA   GLY  21          HA1       GLY  21   0.526  -1.848   3.423
  166    H    LYS  22           HN       LYS  22  -0.896  -0.383   4.264
  167    HA   LYS  22           HA       LYS  22  -3.653  -1.121   3.977
  168   1HB   LYS  22          HB2       LYS  22  -2.547  -0.480   6.698
  169   2HB   LYS  22          HB1       LYS  22  -4.224  -0.138   6.298
  170   1HG   LYS  22          HG2       LYS  22  -4.266  -2.634   5.554
  171   2HG   LYS  22          HG1       LYS  22  -2.845  -2.764   6.593
  172   1HD   LYS  22          HD2       LYS  22  -4.104  -1.930   8.482
  173   2HD   LYS  22          HD1       LYS  22  -5.513  -1.650   7.457
  174   1HE   LYS  22          HE2       LYS  22  -6.094  -3.669   8.340
  175   2HE   LYS  22          HE1       LYS  22  -5.187  -4.223   6.933
  176   1HZ   LYS  22          HZ1       LYS  22  -4.074  -3.933   9.672
  177   2HZ   LYS  22          HZ2       LYS  22  -3.252  -4.530   8.320
  178   3HZ   LYS  22          HZ3       LYS  22  -4.555  -5.394   8.967
  179    H    CYS  23           HN       CYS  23  -4.957   0.606   3.563
  180    HA   CYS  23           HA       CYS  23  -3.574   3.179   3.260
  181   1HB   CYS  23          HB2       CYS  23  -4.528   2.244   1.209
  182   2HB   CYS  23          HB1       CYS  23  -6.113   2.151   1.969
  183    H    ILE  24           HN       ILE  24  -4.667   5.140   3.779
  184    HA   ILE  24           HA       ILE  24  -6.923   4.943   5.650
  185    HB   ILE  24           HB       ILE  24  -4.194   5.645   6.341
  186   1HG1  ILE  24          HG12      ILE  24  -6.405   5.626   8.317
  187   2HG1  ILE  24          HG11      ILE  24  -6.117   4.143   7.413
  188   1HG2  ILE  24          HG21      ILE  24  -6.272   7.615   7.271
  189   2HG2  ILE  24          HG22      ILE  24  -5.110   7.958   5.993
  190   3HG2  ILE  24          HG23      ILE  24  -4.546   7.616   7.624
  191   1HD1  ILE  24          HD11      ILE  24  -3.629   5.172   8.361
  192   2HD1  ILE  24          HD12      ILE  24  -4.418   3.638   8.728
  193   3HD1  ILE  24          HD13      ILE  24  -4.778   5.068   9.695
  194    H    GLY  25           HN       GLY  25  -7.652   6.995   6.163
  195   1HA   GLY  25          HA2       GLY  25  -9.228   8.369   4.800
  196   2HA   GLY  25          HA1       GLY  25  -7.940   9.249   5.625
  197    H    ASP  26           HN       ASP  26  -6.079   9.328   4.745
  198    HA   ASP  26           HA       ASP  26  -5.982   9.690   1.836
  199   1HB   ASP  26          HB2       ASP  26  -4.804  11.918   2.202
  200   2HB   ASP  26          HB1       ASP  26  -6.539  11.912   2.505
  201    H    LYS  27           HN       LYS  27  -4.863   8.108   4.267
  202    HA   LYS  27           HA       LYS  27  -2.028   8.447   3.671
  203   1HB   LYS  27          HB2       LYS  27  -3.088   8.540   6.025
  204   2HB   LYS  27          HB1       LYS  27  -3.170   6.812   5.801
  205   1HG   LYS  27          HG2       LYS  27  -0.894   6.529   5.898
  206   2HG   LYS  27          HG1       LYS  27  -0.576   8.182   5.370
  207   1HD   LYS  27          HD2       LYS  27  -0.687   9.010   7.467
  208   2HD   LYS  27          HD1       LYS  27  -2.000   7.926   7.934
  209   1HE   LYS  27          HE2       LYS  27   0.834   6.987   7.564
  210   2HE   LYS  27          HE1       LYS  27   0.225   7.588   9.106
  211   1HZ   LYS  27          HZ1       LYS  27   0.151   5.098   8.717
  212   2HZ   LYS  27          HZ2       LYS  27  -1.126   5.398   7.650
  213   3HZ   LYS  27          HZ3       LYS  27  -1.271   5.822   9.281
  214    H    CYS  28           HN       CYS  28  -0.839   6.571   3.899
  215    HA   CYS  28           HA       CYS  28  -1.804   3.984   3.316
  216   1HB   CYS  28          HB2       CYS  28  -1.969   5.550   1.091
  217   2HB   CYS  28          HB1       CYS  28  -0.365   4.851   0.896
  218    H    LYS  29           HN       LYS  29  -0.276   2.514   3.773
  219    HA   LYS  29           HA       LYS  29   2.508   2.956   3.286
  220   1HB   LYS  29          HB2       LYS  29   3.270   3.014   5.600
  221   2HB   LYS  29          HB1       LYS  29   2.231   4.391   5.260
  222   1HG   LYS  29          HG2       LYS  29   0.580   3.669   6.646
  223   2HG   LYS  29          HG1       LYS  29   0.965   1.965   6.399
  224   1HD   LYS  29          HD2       LYS  29   1.515   2.653   8.670
  225   2HD   LYS  29          HD1       LYS  29   2.976   2.226   7.777
  226   1HE   LYS  29          HE2       LYS  29   2.004   5.061   7.966
  227   2HE   LYS  29          HE1       LYS  29   3.029   4.347   9.210
  228   1HZ   LYS  29          HZ1       LYS  29   3.682   5.084   6.462
  229   2HZ   LYS  29          HZ2       LYS  29   4.442   3.711   7.091
  230   3HZ   LYS  29          HZ3       LYS  29   4.619   5.204   7.866
  231    H    CYS  30           HN       CYS  30   3.715   1.121   3.461
  232    HA   CYS  30           HA       CYS  30   2.334  -1.337   3.378
  233   1HB   CYS  30          HB2       CYS  30   5.300  -0.860   3.733
  234   2HB   CYS  30          HB1       CYS  30   4.550  -2.371   3.229
  235    H    TYR  31           HN       TYR  31   3.174  -3.241   4.828
  236    HA   TYR  31           HA       TYR  31   2.667  -2.519   7.439
  237   1HB   TYR  31          HB2       TYR  31   1.998  -4.726   5.862
  238   2HB   TYR  31          HB1       TYR  31   3.009  -5.332   7.170
  239    HD1  TYR  31           HD1      TYR  31   0.383  -2.673   7.020
  240    HD2  TYR  31           HD2      TYR  31   1.679  -6.328   8.771
  241    HE1  TYR  31           HE1      TYR  31  -1.558  -2.632   8.529
  242    HE2  TYR  31           HE2      TYR  31  -0.259  -6.297  10.284
  243    HH   TYR  31           HH       TYR  31  -1.934  -3.849  11.079
  244    H    GLY  32           HN       GLY  32   5.270  -1.935   6.266
  245   1HA   GLY  32          HA2       GLY  32   7.483  -2.027   6.860
  246   2HA   GLY  32          HA1       GLY  32   6.939  -2.687   8.398
  247    H    CYS  33           HN       CYS  33   5.963  -4.390   5.577
  248    HA   CYS  33           HA       CYS  33   6.522  -6.424   4.721
  249   1HB   CYS  33          HB2       CYS  33   8.656  -5.441   4.131
  250   2HB   CYS  33          HB1       CYS  33   9.262  -5.677   5.765
  Start of MODEL   20
    1   1H    ALA   1          HT1       ALA   1 -16.097   1.770  -1.863
    2   2H    ALA   1          HT2       ALA   1 -14.837   0.860  -2.591
    3   3H    ALA   1          HT3       ALA   1 -14.734   2.572  -2.523
    4    HA   ALA   1           HA       ALA   1 -14.673   2.472  -0.136
    5   1HB   ALA   1          HB1       ALA   1 -14.112  -0.433  -0.194
    6   2HB   ALA   1          HB2       ALA   1 -15.798   0.062  -0.343
    7   3HB   ALA   1          HB3       ALA   1 -14.856   0.557   1.063
    8    H    PHE   2           HN       PHE   2 -12.609   1.587   1.072
    9    HA   PHE   2           HA       PHE   2 -10.337   1.599   1.194
   10   1HB   PHE   2          HB2       PHE   2 -10.997  -0.268  -0.793
   11   2HB   PHE   2          HB1       PHE   2  -9.682   0.686  -1.471
   12    HD1  PHE   2           HD1      PHE   2  -7.581   0.973  -0.033
   13    HD2  PHE   2           HD2      PHE   2 -10.557  -1.977   0.712
   14    HE1  PHE   2           HE1      PHE   2  -5.960  -0.324   1.287
   15    HE2  PHE   2           HE2      PHE   2  -8.940  -3.279   2.034
   16    HZ   PHE   2           HZ       PHE   2  -6.638  -2.452   2.323
   17    H    CYS   3           HN       CYS   3  -8.441   2.696   0.483
   18    HA   CYS   3           HA       CYS   3  -9.061   4.976  -1.273
   19   1HB   CYS   3          HB2       CYS   3  -6.879   5.854   0.022
   20   2HB   CYS   3          HB1       CYS   3  -8.510   6.083   0.638
   21    H    ASN   4           HN       ASN   4  -8.510   3.766  -3.150
   22    HA   ASN   4           HA       ASN   4  -7.136   2.956  -4.780
   23   1HB   ASN   4          HB2       ASN   4  -5.856   5.349  -3.649
   24   2HB   ASN   4          HB1       ASN   4  -4.756   4.297  -4.536
   25   1HD2  ASN   4          HD21      ASN   4  -6.243   3.340  -6.545
   26   2HD2  ASN   4          HD22      ASN   4  -6.797   4.619  -7.566
   27    H    LEU   5           HN       LEU   5  -7.021   0.883  -3.784
   28    HA   LEU   5           HA       LEU   5  -4.815   0.216  -2.070
   29   1HB   LEU   5          HB2       LEU   5  -7.175  -0.892  -2.284
   30   2HB   LEU   5          HB1       LEU   5  -6.417  -1.823  -3.561
   31    HG   LEU   5           HG       LEU   5  -5.641  -1.758  -0.651
   32   1HD1  LEU   5          HD11      LEU   5  -6.268  -4.076  -0.652
   33   2HD1  LEU   5          HD12      LEU   5  -6.586  -4.031  -2.386
   34   3HD1  LEU   5          HD13      LEU   5  -7.612  -3.121  -1.277
   35   1HD2  LEU   5          HD21      LEU   5  -4.060  -3.642  -1.504
   36   2HD2  LEU   5          HD22      LEU   5  -3.567  -1.954  -1.645
   37   3HD2  LEU   5          HD23      LEU   5  -4.205  -2.807  -3.051
   38    H    ARG   6           HN       ARG   6  -5.711  -1.088  -5.272
   39    HA   ARG   6           HA       ARG   6  -3.443  -2.398  -5.931
   40   1HB   ARG   6          HB2       ARG   6  -5.686  -1.648  -7.297
   41   2HB   ARG   6          HB1       ARG   6  -4.445  -0.737  -8.145
   42   1HG   ARG   6          HG2       ARG   6  -3.280  -3.181  -7.982
   43   2HG   ARG   6          HG1       ARG   6  -4.985  -3.617  -8.112
   44   1HD   ARG   6          HD2       ARG   6  -3.326  -1.990 -10.021
   45   2HD   ARG   6          HD1       ARG   6  -4.155  -3.516 -10.324
   46    HE   ARG   6           HE       ARG   6  -6.175  -1.842  -9.678
   47   1HH1  ARG   6          HH11      ARG   6  -3.556  -1.634 -11.975
   48   2HH1  ARG   6          HH12      ARG   6  -4.447  -0.655 -13.091
   49   1HH2  ARG   6          HH21      ARG   6  -7.348  -0.555 -11.145
   50   2HH2  ARG   6          HH22      ARG   6  -6.600  -0.042 -12.620
   51    H    MET   7           HN       MET   7  -4.018   0.996  -6.831
   52    HA   MET   7           HA       MET   7  -1.485   1.571  -7.789
   53   1HB   MET   7          HB2       MET   7  -3.572   3.056  -7.803
   54   2HB   MET   7          HB1       MET   7  -3.104   3.542  -6.179
   55   1HG   MET   7          HG2       MET   7  -2.019   5.181  -7.240
   56   2HG   MET   7          HG1       MET   7  -0.788   3.948  -7.502
   57   1HE   MET   7          HE1       MET   7  -3.564   5.890 -10.527
   58   2HE   MET   7          HE2       MET   7  -2.468   6.754  -9.448
   59   3HE   MET   7          HE3       MET   7  -3.799   5.809  -8.781
   60    H    CYS   8           HN       CYS   8  -2.693   1.699  -4.464
   61    HA   CYS   8           HA       CYS   8  -0.409   2.756  -3.250
   62   1HB   CYS   8          HB2       CYS   8  -2.790   1.286  -2.382
   63   2HB   CYS   8          HB1       CYS   8  -1.377   0.958  -1.386
   64    H    GLN   9           HN       GLN   9  -1.304  -0.572  -4.040
   65    HA   GLN   9           HA       GLN   9   0.739  -2.020  -2.913
   66   1HB   GLN   9          HB2       GLN   9  -1.116  -2.355  -5.073
   67   2HB   GLN   9          HB1       GLN   9   0.440  -3.008  -5.547
   68   1HG   GLN   9          HG2       GLN   9   0.363  -4.684  -4.021
   69   2HG   GLN   9          HG1       GLN   9  -0.578  -3.741  -2.866
   70   1HE2  GLN   9          HE21      GLN   9  -0.653  -6.062  -5.344
   71   2HE2  GLN   9          HE22      GLN   9  -2.366  -6.262  -5.433
   72    H    LEU  10           HN       LEU  10   0.753  -0.140  -5.878
   73    HA   LEU  10           HA       LEU  10   3.167  -0.778  -6.943
   74   1HB   LEU  10          HB2       LEU  10   1.236   0.939  -7.560
   75   2HB   LEU  10          HB1       LEU  10   2.365   2.069  -6.869
   76    HG   LEU  10           HG       LEU  10   3.403   0.205  -8.939
   77   1HD1  LEU  10          HD11      LEU  10   2.672   2.018 -10.631
   78   2HD1  LEU  10          HD12      LEU  10   1.427   2.392  -9.440
   79   3HD1  LEU  10          HD13      LEU  10   1.514   0.779 -10.147
   80   1HD2  LEU  10          HD21      LEU  10   4.651   2.275  -9.563
   81   2HD2  LEU  10          HD22      LEU  10   4.951   1.713  -7.918
   82   3HD2  LEU  10          HD23      LEU  10   3.881   3.086  -8.199
   83    H    SER  11           HN       SER  11   2.394   1.809  -4.698
   84    HA   SER  11           HA       SER  11   4.942   2.819  -4.220
   85   1HB   SER  11          HB2       SER  11   2.608   2.578  -2.303
   86   2HB   SER  11          HB1       SER  11   4.042   3.562  -2.006
   87    HG   SER  11           HG       SER  11   3.191   5.045  -3.209
   88    H    CYS  12           HN       CYS  12   3.367  -0.005  -2.858
   89    HA   CYS  12           HA       CYS  12   5.315  -0.553  -0.880
   90   1HB   CYS  12          HB2       CYS  12   2.850  -1.492  -1.498
   91   2HB   CYS  12          HB1       CYS  12   3.844  -2.781  -2.129
   92    H    ARG  13           HN       ARG  13   4.766  -1.561  -4.195
   93    HA   ARG  13           HA       ARG  13   6.983  -3.349  -4.338
   94   1HB   ARG  13          HB2       ARG  13   4.916  -3.279  -5.853
   95   2HB   ARG  13          HB1       ARG  13   5.716  -1.957  -6.691
   96   1HG   ARG  13          HG2       ARG  13   6.087  -4.051  -7.845
   97   2HG   ARG  13          HG1       ARG  13   7.605  -3.424  -7.200
   98   1HD   ARG  13          HD2       ARG  13   7.850  -5.140  -5.754
   99   2HD   ARG  13          HD1       ARG  13   6.123  -5.237  -5.417
  100    HE   ARG  13           HE       ARG  13   7.593  -6.727  -7.386
  101   1HH1  ARG  13          HH11      ARG  13   4.451  -5.506  -6.481
  102   2HH1  ARG  13          HH12      ARG  13   3.587  -6.698  -7.393
  103   1HH2  ARG  13          HH21      ARG  13   6.458  -8.295  -8.586
  104   2HH2  ARG  13          HH22      ARG  13   4.726  -8.282  -8.587
  105    H    LYS  14           HN       LYS  14   6.558   0.073  -4.812
  106    HA   LYS  14           HA       LYS  14   9.057   0.476  -6.163
  107   1HB   LYS  14          HB2       LYS  14   6.741   2.011  -5.627
  108   2HB   LYS  14          HB1       LYS  14   8.091   2.867  -4.896
  109   1HG   LYS  14          HG2       LYS  14   9.259   2.916  -7.005
  110   2HG   LYS  14          HG1       LYS  14   7.995   1.942  -7.759
  111   1HD   LYS  14          HD2       LYS  14   6.444   3.681  -7.688
  112   2HD   LYS  14          HD1       LYS  14   7.344   4.558  -6.449
  113   1HE   LYS  14          HE2       LYS  14   7.867   5.806  -8.297
  114   2HE   LYS  14          HE1       LYS  14   9.193   4.644  -8.314
  115   1HZ   LYS  14          HZ1       LYS  14   7.940   3.321  -9.920
  116   2HZ   LYS  14          HZ2       LYS  14   8.237   4.880 -10.505
  117   3HZ   LYS  14          HZ3       LYS  14   6.702   4.474  -9.924
  118    H    SER  15           HN       SER  15   7.919   1.712  -2.994
  119    HA   SER  15           HA       SER  15  10.391   2.403  -2.020
  120   1HB   SER  15          HB2       SER  15   8.334   1.450  -0.128
  121   2HB   SER  15          HB1       SER  15   9.199   2.969  -0.195
  122    HG   SER  15           HG       SER  15   7.680   3.816  -1.366
  123    H    LEU  16           HN       LEU  16   8.484  -0.457  -0.999
  124    HA   LEU  16           HA       LEU  16  11.046  -1.816  -0.472
  125   1HB   LEU  16          HB2       LEU  16   8.592  -1.566   1.162
  126   2HB   LEU  16          HB1       LEU  16   9.382  -3.131   1.177
  127    HG   LEU  16           HG       LEU  16  10.175  -1.854   3.045
  128   1HD1  LEU  16          HD11      LEU  16  11.779  -3.239   1.616
  129   2HD1  LEU  16          HD12      LEU  16  12.481  -2.085   2.751
  130   3HD1  LEU  16          HD13      LEU  16  12.393  -1.691   1.034
  131   1HD2  LEU  16          HD21      LEU  16  11.370   0.246   1.308
  132   2HD2  LEU  16          HD22      LEU  16  10.874   0.325   2.999
  133   3HD2  LEU  16          HD23      LEU  16   9.659   0.360   1.720
  134    H    GLY  17           HN       GLY  17   7.915  -3.385  -0.141
  135   1HA   GLY  17          HA2       GLY  17   7.284  -4.447  -2.513
  136   2HA   GLY  17          HA1       GLY  17   8.742  -5.348  -2.129
  137    H    CYS  18           HN       CYS  18   7.458  -4.929   0.847
  138    HA   CYS  18           HA       CYS  18   6.159  -7.454   0.474
  139   1HB   CYS  18          HB2       CYS  18   5.906  -6.008   3.039
  140   2HB   CYS  18          HB1       CYS  18   5.738  -7.704   2.582
  141    H    LEU  19           HN       LEU  19   4.661  -7.314  -0.581
  142    HA   LEU  19           HA       LEU  19   2.738  -5.629  -1.265
  143   1HB   LEU  19          HB2       LEU  19   3.120  -8.343  -1.435
  144   2HB   LEU  19          HB1       LEU  19   1.580  -8.219  -0.623
  145    HG   LEU  19           HG       LEU  19   2.274  -6.950  -3.260
  146   1HD1  LEU  19          HD11      LEU  19   2.026  -9.496  -3.129
  147   2HD1  LEU  19          HD12      LEU  19   1.061  -8.635  -4.328
  148   3HD1  LEU  19          HD13      LEU  19   0.318  -9.181  -2.824
  149   1HD2  LEU  19          HD21      LEU  19   0.650  -5.582  -2.229
  150   2HD2  LEU  19          HD22      LEU  19  -0.247  -6.974  -1.622
  151   3HD2  LEU  19          HD23      LEU  19  -0.236  -6.617  -3.349
  152    H    LEU  20           HN       LEU  20   2.803  -7.342   1.812
  153    HA   LEU  20           HA       LEU  20   0.233  -6.775   2.720
  154   1HB   LEU  20          HB2       LEU  20   1.482  -6.754   5.044
  155   2HB   LEU  20          HB1       LEU  20   1.262  -8.234   4.132
  156    HG   LEU  20           HG       LEU  20   3.762  -6.765   3.568
  157   1HD1  LEU  20          HD11      LEU  20   2.990  -7.514   6.288
  158   2HD1  LEU  20          HD12      LEU  20   4.278  -6.450   5.722
  159   3HD1  LEU  20          HD13      LEU  20   4.530  -8.195   5.761
  160   1HD2  LEU  20          HD21      LEU  20   4.357  -9.365   4.174
  161   2HD2  LEU  20          HD22      LEU  20   3.970  -8.757   2.565
  162   3HD2  LEU  20          HD23      LEU  20   2.711  -9.494   3.555
  163    H    GLY  21           HN       GLY  21  -0.567  -5.167   4.159
  164   1HA   GLY  21          HA2       GLY  21   0.662  -2.965   5.149
  165   2HA   GLY  21          HA1       GLY  21   0.292  -2.517   3.499
  166    H    LYS  22           HN       LYS  22  -1.019  -0.904   4.254
  167    HA   LYS  22           HA       LYS  22  -3.763  -1.606   4.448
  168   1HB   LYS  22          HB2       LYS  22  -2.299  -1.057   6.969
  169   2HB   LYS  22          HB1       LYS  22  -3.881  -0.314   6.792
  170   1HG   LYS  22          HG2       LYS  22  -4.505  -2.803   6.060
  171   2HG   LYS  22          HG1       LYS  22  -3.143  -3.153   7.126
  172   1HD   LYS  22          HD2       LYS  22  -4.229  -2.388   8.989
  173   2HD   LYS  22          HD1       LYS  22  -5.209  -1.238   8.078
  174   1HE   LYS  22          HE2       LYS  22  -6.850  -2.734   8.459
  175   2HE   LYS  22          HE1       LYS  22  -6.137  -3.562   7.075
  176   1HZ   LYS  22          HZ1       LYS  22  -6.084  -4.277   9.894
  177   2HZ   LYS  22          HZ2       LYS  22  -4.658  -4.560   9.031
  178   3HZ   LYS  22          HZ3       LYS  22  -6.107  -5.270   8.524
  179    H    CYS  23           HN       CYS  23  -5.138   0.105   4.247
  180    HA   CYS  23           HA       CYS  23  -3.848   2.689   3.657
  181   1HB   CYS  23          HB2       CYS  23  -5.012   1.357   1.782
  182   2HB   CYS  23          HB1       CYS  23  -6.518   1.812   2.570
  183    H    ILE  24           HN       ILE  24  -4.954   4.623   4.237
  184    HA   ILE  24           HA       ILE  24  -7.168   4.370   6.162
  185    HB   ILE  24           HB       ILE  24  -5.079   6.354   6.798
  186   1HG1  ILE  24          HG12      ILE  24  -4.772   3.441   7.569
  187   2HG1  ILE  24          HG11      ILE  24  -3.783   4.259   6.363
  188   1HG2  ILE  24          HG21      ILE  24  -7.235   4.863   8.138
  189   2HG2  ILE  24          HG22      ILE  24  -6.694   6.527   8.359
  190   3HG2  ILE  24          HG23      ILE  24  -5.809   5.204   9.118
  191   1HD1  ILE  24          HD11      ILE  24  -3.397   5.918   8.412
  192   2HD1  ILE  24          HD12      ILE  24  -2.406   4.486   8.134
  193   3HD1  ILE  24          HD13      ILE  24  -3.721   4.433   9.307
  194    H    GLY  25           HN       GLY  25  -7.864   6.417   6.746
  195   1HA   GLY  25          HA2       GLY  25  -9.503   7.802   5.449
  196   2HA   GLY  25          HA1       GLY  25  -8.200   8.669   6.264
  197    H    ASP  26           HN       ASP  26  -6.354   8.791   5.336
  198    HA   ASP  26           HA       ASP  26  -6.350   9.211   2.439
  199   1HB   ASP  26          HB2       ASP  26  -5.260  11.437   2.718
  200   2HB   ASP  26          HB1       ASP  26  -6.919  11.410   3.307
  201    H    LYS  27           HN       LYS  27  -5.153   7.578   4.802
  202    HA   LYS  27           HA       LYS  27  -2.341   7.947   4.123
  203   1HB   LYS  27          HB2       LYS  27  -3.334   7.913   6.509
  204   2HB   LYS  27          HB1       LYS  27  -3.404   6.200   6.197
  205   1HG   LYS  27          HG2       LYS  27  -1.130   5.932   6.233
  206   2HG   LYS  27          HG1       LYS  27  -0.836   7.604   5.749
  207   1HD   LYS  27          HD2       LYS  27  -1.918   8.137   8.079
  208   2HD   LYS  27          HD1       LYS  27  -1.435   6.481   8.448
  209   1HE   LYS  27          HE2       LYS  27   0.534   8.361   7.219
  210   2HE   LYS  27          HE1       LYS  27   0.186   8.469   8.944
  211   1HZ   LYS  27          HZ1       LYS  27   2.087   7.029   8.455
  212   2HZ   LYS  27          HZ2       LYS  27   1.090   6.010   7.545
  213   3HZ   LYS  27          HZ3       LYS  27   0.834   6.178   9.209
  214    H    CYS  28           HN       CYS  28  -1.132   6.074   4.214
  215    HA   CYS  28           HA       CYS  28  -2.092   3.507   3.522
  216   1HB   CYS  28          HB2       CYS  28  -2.648   4.792   1.418
  217   2HB   CYS  28          HB1       CYS  28  -0.918   5.010   1.180
  218    H    LYS  29           HN       LYS  29  -0.516   2.032   3.869
  219    HA   LYS  29           HA       LYS  29   2.223   2.494   3.277
  220   1HB   LYS  29          HB2       LYS  29   1.249   3.317   5.908
  221   2HB   LYS  29          HB1       LYS  29   2.585   2.178   5.996
  222   1HG   LYS  29          HG2       LYS  29   2.953   4.366   4.075
  223   2HG   LYS  29          HG1       LYS  29   2.858   4.859   5.767
  224   1HD   LYS  29          HD2       LYS  29   4.569   2.523   5.176
  225   2HD   LYS  29          HD1       LYS  29   5.139   4.081   4.575
  226   1HE   LYS  29          HE2       LYS  29   6.078   4.084   6.662
  227   2HE   LYS  29          HE1       LYS  29   4.538   4.868   7.011
  228   1HZ   LYS  29          HZ1       LYS  29   5.287   2.046   7.519
  229   2HZ   LYS  29          HZ2       LYS  29   3.692   2.602   7.607
  230   3HZ   LYS  29          HZ3       LYS  29   4.864   3.227   8.655
  231    H    CYS  30           HN       CYS  30   3.439   0.663   3.412
  232    HA   CYS  30           HA       CYS  30   2.059  -1.803   3.504
  233   1HB   CYS  30          HB2       CYS  30   5.049  -1.427   3.672
  234   2HB   CYS  30          HB1       CYS  30   4.177  -2.830   3.061
  235    H    TYR  31           HN       TYR  31   3.036  -3.652   4.920
  236    HA   TYR  31           HA       TYR  31   2.575  -2.970   7.538
  237   1HB   TYR  31          HB2       TYR  31   2.511  -5.358   5.986
  238   2HB   TYR  31          HB1       TYR  31   3.429  -5.643   7.460
  239    HD1  TYR  31           HD2      TYR  31   2.279  -4.798   9.669
  240    HD2  TYR  31           HD1      TYR  31   0.209  -5.584   6.036
  241    HE1  TYR  31           HE2      TYR  31   0.181  -5.053  10.926
  242    HE2  TYR  31           HE1      TYR  31  -1.895  -5.839   7.283
  243    HH   TYR  31           HH       TYR  31  -2.596  -4.751   9.953
  244    H    GLY  32           HN       GLY  32   4.597  -1.498   7.253
  245   1HA   GLY  32          HA2       GLY  32   6.626  -1.070   8.305
  246   2HA   GLY  32          HA1       GLY  32   6.743  -2.778   8.714
  247    H    CYS  33           HN       CYS  33   5.975  -2.851   5.551
  248    HA   CYS  33           HA       CYS  33   8.811  -2.990   4.776
  249   1HB   CYS  33          HB2       CYS  33   6.374  -4.484   4.020
  250   2HB   CYS  33          HB1       CYS  33   7.506  -4.159   2.711