*HEADER    TOXIN                                   23-NOV-04   1Y2P              
*TITLE     SOLUTION STRUCTURE OF HSTX3P                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROTOXIN HSTX1;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: HSTX3P;                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 ABU19 ABU34 OF HSTX4P                                                
*KEYWDS    NMR STRUCTURE, HSTX3P, POTASSIUM CHANNEL                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.MOSBAH, L.GARIGA, H.DARBON, J.M.SABATIER                            
*REVDAT   1   01-NOV-05 1Y2P    0                                                

 assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 2.4 0.6 0.0
 assign (resid    1 and  name HB*  )(resid   11 and  name HB*  ) 7.9 6.1 0.0
 assign (resid    1 and  name HB*  )(resid   16 and  name HB1  ) 7.0 5.2 0.0
 assign (resid    1 and  name HB*  )(resid   16 and  name HB2  ) 7.0 5.2 0.0
 assign (resid    1 and  name HB*  )(resid   16 and  name HB*  ) 6.5 4.7 0.0
 assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 2.9 1.1 0.0
 assign (resid    2 and  name HN   )(resid    2 and  name HB*  ) 3.5 1.7 0.0
 assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 4.3 2.5 0.0
 assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 2.7 0.9 0.0
 assign (resid    2 and  name HB*  )(resid    3 and  name HN   ) 3.9 2.1 0.0
 assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 2.9 1.1 0.0
 assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 3.6 1.8 0.0
 assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 3.6 1.8 0.0
 assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 4.7 2.9 0.0
 assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 2.8 1.0 0.0
 assign (resid    3 and  name HA   )(resid    5 and  name HN   ) 4.2 2.4 0.0
 assign (resid    3 and  name CB   )(resid   24 and  name SG   ) 3.1 1.3 0.0
 assign (resid    3 and  name HB1  )(resid    4 and  name HN   ) 3.6 1.8 0.0
 assign (resid    3 and  name HB1  )(resid    5 and  name HN   ) 4.3 2.5 0.0
 assign (resid    3 and  name HB2  )(resid    4 and  name HN   ) 3.6 1.8 0.0
 assign (resid    3 and  name HB2  )(resid    5 and  name HN   ) 4.3 2.5 0.0
 assign (resid    3 and  name HB*  )(resid    8 and  name HN   ) 6.3 4.5 0.0
 assign (resid    3 and  name HB*  )(resid   24 and  name HB*  ) 6.2 4.4 0.0
 assign (resid    3 and  name SG   )(resid   24 and  name CB   ) 3.1 1.3 0.0
 assign (resid    3 and  name SG   )(resid   24 and  name SG   ) 2.1 0.3 0.0
 assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 2.9 1.1 0.0
 assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 3.3 1.5 0.0
 assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 3.3 1.5 0.0
 assign (resid    4 and  name HN   )(resid    4 and  name HG*  ) 5.4 3.6 0.0
 assign (resid    4 and  name HN   )(resid    4 and  name HD*  ) 7.0 5.2 0.0
 assign (resid    4 and  name HN   )(resid    4 and  name NE   ) 6.0 4.2 0.0
 assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 3.5 1.7 0.0
 assign (resid    4 and  name HN   )(resid    5 and  name HG*  ) 7.0 5.2 0.0
 assign (resid    4 and  name HA   )(resid    4 and  name HD*  ) 7.0 5.2 0.0
 assign (resid    4 and  name HA   )(resid    4 and  name NE   ) 6.0 4.2 0.0
 assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 3.3 1.5 0.0
 assign (resid    4 and  name HA   )(resid   27 and  name NE   ) 5.0 3.2 0.0
 assign (resid    4 and  name HB1  )(resid    5 and  name HN   ) 3.6 1.8 0.0
 assign (resid    4 and  name HB2  )(resid    5 and  name HN   ) 3.6 1.8 0.0
 assign (resid    4 and  name HB*  )(resid    5 and  name HG*  ) 7.9 6.1 0.0
 assign (resid    4 and  name HG*  )(resid    5 and  name HN   ) 6.6 4.8 0.0
 assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 2.8 1.0 0.0
 assign (resid    5 and  name HN   )(resid    5 and  name HB   ) 3.8 2.0 0.0
 assign (resid    5 and  name HN   )(resid    8 and  name HN   ) 3.4 1.6 0.0
 assign (resid    5 and  name HA   )(resid    6 and  name HA   ) 2.8 1.0 0.0
 assign (resid    5 and  name HB   )(resid    6 and  name HA   ) 2.9 1.1 0.0
 assign (resid    5 and  name HB   )(resid    7 and  name HN   ) 3.0 1.2 0.0
 assign (resid    5 and  name HG*  )(resid    6 and  name HA   ) 7.0 5.2 0.0
 assign (resid    5 and  name HG*  )(resid    7 and  name HN   ) 7.0 5.2 0.0
 assign (resid    5 and  name HG*  )(resid    8 and  name HN   ) 7.0 5.2 0.0
 assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 3.4 1.6 0.0
 assign (resid    6 and  name HA   )(resid    8 and  name HN   ) 3.9 2.1 0.0
 assign (resid    6 and  name HA   )(resid   24 and  name HN   ) 3.4 1.6 0.0
 assign (resid    6 and  name HB1  )(resid    7 and  name HN   ) 4.1 2.3 0.0
 assign (resid    6 and  name HB2  )(resid    7 and  name HN   ) 4.1 2.3 0.0
 assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 2.7 0.9 0.0
 assign (resid    7 and  name HN   )(resid    7 and  name HB*  ) 3.3 1.5 0.0
 assign (resid    7 and  name HN   )(resid    7 and  name HG*  ) 7.0 5.2 0.0
 assign (resid    7 and  name HN   )(resid    7 and  name HD*  ) 5.6 3.8 0.0
 assign (resid    7 and  name HN   )(resid    7 and  name HE*  ) 5.8 4.0 0.0
 assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 3.4 1.6 0.0
 assign (resid    7 and  name HA   )(resid    7 and  name HD*  ) 7.0 5.2 0.0
 assign (resid    7 and  name HA   )(resid    7 and  name NZ   ) 6.0 4.2 0.0
 assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 3.6 1.8 0.0
 assign (resid    7 and  name HA   )(resid   10 and  name HN   ) 3.8 2.0 0.0
 assign (resid    7 and  name HB*  )(resid    7 and  name HE*  ) 8.0 6.2 0.0
 assign (resid    7 and  name HB*  )(resid    7 and  name NZ   ) 7.0 5.2 0.0
 assign (resid    7 and  name HB*  )(resid    8 and  name HN   ) 4.4 2.6 0.0
 assign (resid    7 and  name HD*  )(resid    8 and  name HN   ) 7.0 5.2 0.0
 assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 2.9 1.1 0.0
 assign (resid    8 and  name HN   )(resid    8 and  name HB*  ) 3.5 1.7 0.0
 assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.3 1.5 0.0
 assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 3.4 1.6 0.0
 assign (resid    8 and  name HA   )(resid   10 and  name HN   ) 4.5 2.7 0.0
 assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 2.9 1.1 0.0
 assign (resid    9 and  name HN   )(resid    9 and  name HB1  ) 3.5 1.7 0.0
 assign (resid    9 and  name HN   )(resid    9 and  name HB2  ) 3.5 1.7 0.0
 assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.8 1.0 0.0
 assign (resid    9 and  name HN   )(resid   11 and  name HN   ) 4.7 2.9 0.0
 assign (resid    9 and  name HA   )(resid   11 and  name HN   ) 4.3 2.5 0.0
 assign (resid    9 and  name HA   )(resid   12 and  name HD1  ) 4.5 2.7 0.0
 assign (resid    9 and  name HA   )(resid   12 and  name HD2  ) 4.5 2.7 0.0
 assign (resid    9 and  name HA   )(resid   12 and  name HD*  ) 3.8 2.0 0.0
 assign (resid    9 and  name HA   )(resid   13 and  name HN   ) 4.3 2.5 0.0
 assign (resid    9 and  name CB   )(resid   29 and  name SG   ) 3.1 1.3 0.0
 assign (resid    9 and  name HB1  )(resid   13 and  name HN   ) 4.3 2.5 0.0
 assign (resid    9 and  name HB2  )(resid   13 and  name HN   ) 4.3 2.5 0.0
 assign (resid    9 and  name HB*  )(resid   29 and  name HB*  ) 6.0 4.2 0.0
 assign (resid    9 and  name SG   )(resid   29 and  name CB   ) 3.1 1.3 0.0
 assign (resid    9 and  name SG   )(resid   29 and  name SG   ) 2.1 0.3 0.0
 assign (resid    9 and  name O    )(resid   13 and  name N    ) 3.0 1.2 0.0
 assign (resid    9 and  name O    )(resid   13 and  name HN   ) 2.0 0.2 0.0
 assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 2.9 1.1 0.0
 assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.9 1.1 0.0
 assign (resid   10 and  name HN   )(resid   12 and  name HD1  ) 6.0 4.2 0.0
 assign (resid   10 and  name HN   )(resid   12 and  name HD2  ) 6.0 4.2 0.0
 assign (resid   10 and  name HN   )(resid   12 and  name HD*  ) 5.3 3.5 0.0
 assign (resid   10 and  name HA   )(resid   13 and  name HN   ) 3.5 1.7 0.0
 assign (resid   10 and  name HA   )(resid   21 and  name HN   ) 4.1 2.3 0.0
 assign (resid   10 and  name O    )(resid   14 and  name N    ) 3.0 1.2 0.0
 assign (resid   10 and  name O    )(resid   14 and  name HN   ) 2.0 0.2 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 2.9 1.1 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HB1  ) 3.0 1.2 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 3.0 1.2 0.0
 assign (resid   11 and  name HN   )(resid   11 and  name HB*  ) 2.8 1.0 0.0
 assign (resid   11 and  name HN   )(resid   12 and  name HB1  ) 5.7 3.9 0.0
 assign (resid   11 and  name HN   )(resid   12 and  name HB2  ) 5.7 3.9 0.0
 assign (resid   11 and  name HN   )(resid   12 and  name HB*  ) 5.5 3.7 0.0
 assign (resid   11 and  name HN   )(resid   12 and  name HD1  ) 3.5 1.7 0.0
 assign (resid   11 and  name HN   )(resid   12 and  name HD2  ) 3.5 1.7 0.0
 assign (resid   11 and  name HN   )(resid   12 and  name HD*  ) 3.0 1.2 0.0
 assign (resid   11 and  name HN   )(resid   13 and  name HN   ) 4.3 2.5 0.0
 assign (resid   11 and  name HB1  )(resid   12 and  name HD1  ) 4.0 2.2 0.0
 assign (resid   11 and  name HB1  )(resid   12 and  name HD2  ) 4.0 2.2 0.0
 assign (resid   11 and  name HB2  )(resid   12 and  name HD1  ) 4.0 2.2 0.0
 assign (resid   11 and  name HB2  )(resid   12 and  name HD2  ) 4.0 2.2 0.0
 assign (resid   11 and  name HB*  )(resid   12 and  name HD*  ) 3.3 1.5 0.0
 assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 3.5 1.7 0.0
 assign (resid   12 and  name HA   )(resid   15 and  name HN   ) 3.2 1.4 0.0
 assign (resid   12 and  name HB1  )(resid   13 and  name HN   ) 4.7 2.9 0.0
 assign (resid   12 and  name HB2  )(resid   13 and  name HN   ) 4.7 2.9 0.0
 assign (resid   12 and  name HB*  )(resid   13 and  name HN   ) 4.2 2.4 0.0
 assign (resid   12 and  name HG*  )(resid   13 and  name HN   ) 4.6 2.8 0.0
 assign (resid   12 and  name HD1  )(resid   13 and  name HN   ) 5.2 3.4 0.0
 assign (resid   12 and  name HD2  )(resid   13 and  name HN   ) 5.2 3.4 0.0
 assign (resid   12 and  name HD*  )(resid   13 and  name HN   ) 4.5 2.7 0.0
 assign (resid   12 and  name O    )(resid   16 and  name N    ) 3.0 1.2 0.0
 assign (resid   12 and  name O    )(resid   16 and  name HN   ) 2.0 0.2 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HB1  ) 3.3 1.5 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 3.3 1.5 0.0
 assign (resid   13 and  name HN   )(resid   13 and  name HB*  ) 3.0 1.2 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   16 and  name HN   ) 3.0 1.2 0.0
 assign (resid   13 and  name HA   )(resid   17 and  name HN   ) 3.0 1.2 0.0
 assign (resid   13 and  name CB   )(resid   31 and  name SG   ) 3.1 1.3 0.0
 assign (resid   13 and  name HB1  )(resid   14 and  name HN   ) 3.6 1.8 0.0
 assign (resid   13 and  name HB1  )(resid   21 and  name HN   ) 4.2 2.4 0.0
 assign (resid   13 and  name HB2  )(resid   14 and  name HN   ) 3.6 1.8 0.0
 assign (resid   13 and  name HB2  )(resid   21 and  name HN   ) 4.2 2.4 0.0
 assign (resid   13 and  name HB*  )(resid   14 and  name HN   ) 3.4 1.6 0.0
 assign (resid   13 and  name HB*  )(resid   31 and  name HB*  ) 5.0 3.2 0.0
 assign (resid   13 and  name HB*  )(resid   32 and  name HN   ) 6.5 4.7 0.0
 assign (resid   13 and  name SG   )(resid   31 and  name CB   ) 3.1 1.3 0.0
 assign (resid   13 and  name SG   )(resid   31 and  name SG   ) 2.1 0.3 0.0
 assign (resid   13 and  name O    )(resid   17 and  name N    ) 3.0 1.2 0.0
 assign (resid   13 and  name O    )(resid   17 and  name HN   ) 2.0 0.2 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 2.8 1.0 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HB1  ) 2.8 1.0 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HB2  ) 2.8 1.0 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HG1  ) 5.6 3.8 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HG2  ) 5.6 3.8 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HG*  ) 5.2 3.4 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   14 and  name HN   )(resid   14 and  name NE   ) 6.0 4.2 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   20 and  name HA   ) 3.2 1.4 0.0
 assign (resid   14 and  name HA   )(resid   14 and  name HG*  ) 4.0 2.2 0.0
 assign (resid   14 and  name HA   )(resid   14 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   14 and  name HA   )(resid   14 and  name NE   ) 6.0 4.2 0.0
 assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 3.4 1.6 0.0
 assign (resid   14 and  name HA   )(resid   16 and  name HN   ) 4.3 2.5 0.0
 assign (resid   14 and  name HA   )(resid   17 and  name HN   ) 3.8 2.0 0.0
 assign (resid   14 and  name HA   )(resid   18 and  name HN   ) 3.8 2.0 0.0
 assign (resid   14 and  name HA   )(resid   18 and  name HA*  ) 4.8 3.0 0.0
 assign (resid   14 and  name HA   )(resid   19 and  name HN   ) 2.8 1.0 0.0
 assign (resid   14 and  name HD*  )(resid   19 and  name HN   ) 7.0 5.2 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 2.9 1.1 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name HB*  ) 3.5 1.7 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name HG*  ) 5.4 3.6 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name HE*  ) 7.0 5.2 0.0
 assign (resid   15 and  name HN   )(resid   15 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 2.9 1.1 0.0
 assign (resid   15 and  name HN   )(resid   16 and  name HB*  ) 4.8 3.0 0.0
 assign (resid   15 and  name HA   )(resid   15 and  name HD*  ) 6.4 4.6 0.0
 assign (resid   15 and  name HA   )(resid   15 and  name HE*  ) 7.0 5.2 0.0
 assign (resid   15 and  name HA   )(resid   15 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 3.6 1.8 0.0
 assign (resid   15 and  name HA   )(resid   18 and  name HN   ) 4.4 2.6 0.0
 assign (resid   15 and  name HB*  )(resid   15 and  name HE*  ) 5.3 3.5 0.0
 assign (resid   15 and  name HB*  )(resid   15 and  name NZ   ) 6.9 5.1 0.0
 assign (resid   15 and  name HB*  )(resid   16 and  name HN   ) 3.5 1.7 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 2.9 1.1 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HB1  ) 2.9 1.1 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 HB*  ) 2.5 0.7 0.0
 assign (resid   16 and  name HN   )(resid   16 and  name HG*  ) 6.1 4.3 0.0
 assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 3.5 1.7 0.0
 assign (resid   16 and  name HB1  )(resid   17 and  name HG*  ) 7.0 5.2 0.0
 assign (resid   16 and  name HB2  )(resid   17 and  name HG*  ) 7.0 5.2 0.0
 assign (resid   16 and  name HB*  )(resid   17 and  name HN   ) 3.5 1.7 0.0
 assign (resid   16 and  name HB*  )(resid   17 and  name HG*  ) 6.8 5.0 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 2.9 1.1 0.0
 assign (resid   17 and  name HN   )(resid   17 and  name HB   ) 3.5 1.7 0.0
 assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.4 0.6 0.0
 assign (resid   17 and  name HN   )(resid   18 and  name HA*  ) 4.9 3.1 0.0
 assign (resid   17 and  name HB   )(resid   18 and  name HN   ) 5.1 3.3 0.0
 assign (resid   17 and  name HG*  )(resid   18 and  name HN   ) 7.0 5.2 0.0
 assign (resid   17 and  name HG*  )(resid   19 and  name HN   ) 7.0 5.2 0.0
 assign (resid   17 and  name HG*  )(resid   31 and  name HB1  ) 7.0 5.2 0.0
 assign (resid   17 and  name HG*  )(resid   31 and  name HB2  ) 7.0 5.2 0.0
 assign (resid   17 and  name HG*  )(resid   31 and  name HB*  ) 6.8 5.0 0.0
 assign (resid   17 and  name HG*  )(resid   32 and  name HN   ) 7.0 5.2 0.0
 assign (resid   17 and  name HG*  )(resid   33 and  name HN   ) 7.0 5.2 0.0
 assign (resid   17 and  name HG*  )(resid   34 and  name HN   ) 7.0 5.2 0.0
 assign (resid   18 and  name HA1  )(resid   19 and  name HN   ) 3.4 1.6 0.0
 assign (resid   18 and  name HA2  )(resid   19 and  name HN   ) 3.4 1.6 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HB1  ) 3.5 1.7 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HB2  ) 3.5 1.7 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HB*  ) 3.3 1.5 0.0
 assign (resid   19 and  name HN   )(resid   19 and  name HG1  ) 7.0 5.2 0.0
 assign (resid   19 and  name HB1  )(resid   20 and  name HD*  ) 6.2 4.4 0.0
 assign (resid   19 and  name HB1  )(resid   21 and  name HN   ) 4.3 2.5 0.0
 assign (resid   19 and  name HB1  )(resid   21 and  name CG   ) 8.0 6.2 0.0
 assign (resid   19 and  name HB2  )(resid   20 and  name HD*  ) 6.2 4.4 0.0
 assign (resid   19 and  name HB2  )(resid   21 and  name HN   ) 4.3 2.5 0.0
 assign (resid   19 and  name HB2  )(resid   21 and  name CG   ) 8.0 6.2 0.0
 assign (resid   19 and  name HB*  )(resid   20 and  name HD*  ) 5.6 3.8 0.0
 assign (resid   19 and  name HB*  )(resid   21 and  name HN   ) 3.8 2.0 0.0
 assign (resid   19 and  name HB*  )(resid   21 and  name CG   ) 7.2 5.4 0.0
 assign (resid   19 and  name HB*  )(resid   21 and  name CZ   ) 8.6 6.8 0.0
 assign (resid   19 and  name HG1  )(resid   20 and  name HD*  ) 8.0 6.2 0.0
 assign (resid   19 and  name HG1  )(resid   21 and  name HN   ) 7.0 5.2 0.0
 assign (resid   19 and  name HG1  )(resid   21 and  name CG   ) 9.0 7.2 0.0
 assign (resid   19 and  name HG1  )(resid   21 and  name CZ   ) 9.0 7.2 0.0
 assign (resid   19 and  name HG1  )(resid   32 and  name HB1  ) 7.0 5.2 0.0
 assign (resid   19 and  name HG1  )(resid   32 and  name HB2  ) 7.0 5.2 0.0
 assign (resid   20 and  name HG*  )(resid   21 and  name HN   ) 5.2 3.4 0.0
 assign (resid   20 and  name HG*  )(resid   21 and  name CG   ) 8.6 6.8 0.0
 assign (resid   20 and  name HG*  )(resid   21 and  name CZ   ) 8.5 6.7 0.0
 assign (resid   20 and  name HD*  )(resid   21 and  name CG   ) 8.5 6.7 0.0
 assign (resid   20 and  name HD*  )(resid   21 and  name CZ   ) 8.4 6.6 0.0
 assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 2.9 1.1 0.0
 assign (resid   21 and  name HN   )(resid   21 and  name HB1  ) 3.5 1.7 0.0
 assign (resid   21 and  name HN   )(resid   21 and  name HB2  ) 3.5 1.7 0.0
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 assign (resid   21 and  name HN   )(resid   32 and  name HN   ) 4.8 3.0 0.0
 assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 2.5 0.7 0.0
 assign (resid   21 and  name HB1  )(resid   22 and  name HN   ) 3.2 1.4 0.0
 assign (resid   21 and  name HB2  )(resid   22 and  name HN   ) 3.2 1.4 0.0
 assign (resid   21 and  name HB*  )(resid   22 and  name HN   ) 3.0 1.2 0.0
 assign (resid   21 and  name HB*  )(resid   32 and  name HN   ) 6.9 5.1 0.0
 assign (resid   21 and  name HB*  )(resid   32 and  name HD*  ) 6.3 4.5 0.0
 assign (resid   21 and  name CG   )(resid   22 and  name HN   ) 7.8 6.0 0.0
 assign (resid   21 and  name CZ   )(resid   22 and  name HN   ) 8.0 6.2 0.0
 assign (resid   22 and  name HN   )(resid   22 and  name HA1  ) 2.8 1.0 0.0
 assign (resid   22 and  name HN   )(resid   22 and  name HA2  ) 2.8 1.0 0.0
 assign (resid   22 and  name HN   )(resid   32 and  name HN   ) 4.0 2.2 0.0
 assign (resid   22 and  name HA1  )(resid   23 and  name HN   ) 3.3 1.5 0.0
 assign (resid   22 and  name HA1  )(resid   31 and  name HA   ) 4.7 2.9 0.0
 assign (resid   22 and  name HA1  )(resid   32 and  name HN   ) 3.3 1.5 0.0
 assign (resid   22 and  name HA2  )(resid   23 and  name HN   ) 3.3 1.5 0.0
 assign (resid   22 and  name HA2  )(resid   31 and  name HA   ) 4.7 2.9 0.0
 assign (resid   22 and  name HA2  )(resid   32 and  name HN   ) 3.3 1.5 0.0
 assign (resid   22 and  name HA*  )(resid   23 and  name HN   ) 2.8 1.0 0.0
 assign (resid   22 and  name HA*  )(resid   31 and  name HA   ) 4.0 2.2 0.0
 assign (resid   23 and  name N    )(resid   30 and  name O    ) 3.0 1.2 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HB1  ) 3.1 1.3 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HB2  ) 3.1 1.3 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HG*  ) 5.9 4.1 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HD*  ) 6.5 4.7 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HE*  ) 7.0 5.2 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 5.0 3.2 0.0
 assign (resid   23 and  name HN   )(resid   30 and  name HN   ) 3.3 1.5 0.0
 assign (resid   23 and  name HN   )(resid   30 and  name O    ) 2.0 0.2 0.0
 assign (resid   23 and  name HN   )(resid   31 and  name HA   ) 3.2 1.4 0.0
 assign (resid   23 and  name HA   )(resid   23 and  name HD*  ) 5.0 3.2 0.0
 assign (resid   23 and  name HA   )(resid   23 and  name HE*  ) 4.0 2.2 0.0
 assign (resid   23 and  name HA   )(resid   23 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 2.4 0.6 0.0
 assign (resid   23 and  name HB1  )(resid   23 and  name HE*  ) 7.0 5.2 0.0
 assign (resid   23 and  name HB1  )(resid   24 and  name HN   ) 4.6 2.8 0.0
 assign (resid   23 and  name HB2  )(resid   23 and  name HE*  ) 7.0 5.2 0.0
 assign (resid   23 and  name HB2  )(resid   24 and  name HN   ) 4.6 2.8 0.0
 assign (resid   23 and  name HB*  )(resid   23 and  name NZ   ) 6.9 5.1 0.0
 assign (resid   23 and  name HB*  )(resid   24 and  name HN   ) 3.9 2.1 0.0
 assign (resid   23 and  name HG*  )(resid   30 and  name HN   ) 7.0 5.2 0.0
 assign (resid   23 and  name HD*  )(resid   24 and  name HN   ) 7.0 5.2 0.0
 assign (resid   23 and  name O    )(resid   30 and  name N    ) 3.0 1.2 0.0
 assign (resid   23 and  name O    )(resid   30 and  name HN   ) 2.0 0.2 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 2.9 1.1 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   24 and  name HA   )(resid   24 and  name HB1  ) 3.0 1.2 0.0
 assign (resid   24 and  name HA   )(resid   24 and  name HB2  ) 3.0 1.2 0.0
 assign (resid   24 and  name HA   )(resid   24 and  name HB*  ) 2.7 0.9 0.0
 assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 2.4 0.6 0.0
 assign (resid   24 and  name HA   )(resid   30 and  name HN   ) 2.5 0.7 0.0
 assign (resid   24 and  name HB1  )(resid   25 and  name HN   ) 4.6 2.8 0.0
 assign (resid   24 and  name HB2  )(resid   25 and  name HN   ) 4.6 2.8 0.0
 assign (resid   24 and  name HB*  )(resid   25 and  name HN   ) 4.3 2.5 0.0
 assign (resid   25 and  name N    )(resid   28 and  name O    ) 3.0 1.2 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 2.9 1.1 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HB1  ) 3.2 1.4 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HB2  ) 3.2 1.4 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HB*  ) 2.9 1.1 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HG*  ) 5.9 4.1 0.0
 assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 4.6 2.8 0.0
 assign (resid   25 and  name HN   )(resid   28 and  name HN   ) 2.9 1.1 0.0
 assign (resid   25 and  name HN   )(resid   28 and  name HB*  ) 5.2 3.4 0.0
 assign (resid   25 and  name HN   )(resid   28 and  name O    ) 2.0 0.2 0.0
 assign (resid   25 and  name HN   )(resid   29 and  name HN   ) 3.7 1.9 0.0
 assign (resid   25 and  name HN   )(resid   29 and  name HA   ) 2.8 1.0 0.0
 assign (resid   25 and  name HN   )(resid   30 and  name HN   ) 3.8 2.0 0.0
 assign (resid   25 and  name HA   )(resid   25 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   25 and  name HA   )(resid   25 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 2.4 0.6 0.0
 assign (resid   25 and  name HB1  )(resid   26 and  name HN   ) 4.2 2.4 0.0
 assign (resid   25 and  name HB2  )(resid   26 and  name HN   ) 4.2 2.4 0.0
 assign (resid   25 and  name HB*  )(resid   26 and  name HN   ) 3.8 2.0 0.0
 assign (resid   25 and  name HG*  )(resid   26 and  name HN   ) 7.0 5.2 0.0
 assign (resid   25 and  name O    )(resid   28 and  name N    ) 3.0 1.2 0.0
 assign (resid   25 and  name O    )(resid   28 and  name HN   ) 2.0 0.2 0.0
 assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 2.8 1.0 0.0
 assign (resid   26 and  name HN   )(resid   26 and  name HB1  ) 3.7 1.9 0.0
 assign (resid   26 and  name HN   )(resid   26 and  name HB2  ) 3.7 1.9 0.0
 assign (resid   26 and  name HN   )(resid   26 and  name HB*  ) 3.4 1.6 0.0
 assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 3.3 1.5 0.0
 assign (resid   26 and  name HN   )(resid   28 and  name HN   ) 4.6 2.8 0.0
 assign (resid   26 and  name HA   )(resid   26 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   26 and  name HA   )(resid   26 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 3.5 1.7 0.0
 assign (resid   26 and  name HA   )(resid   28 and  name HN   ) 4.5 2.7 0.0
 assign (resid   26 and  name HB1  )(resid   27 and  name HN   ) 4.5 2.7 0.0
 assign (resid   26 and  name HB2  )(resid   27 and  name HN   ) 4.5 2.7 0.0
 assign (resid   26 and  name HB*  )(resid   27 and  name HN   ) 4.3 2.5 0.0
 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  ) 3.8 2.0 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name HB2  ) 3.8 2.0 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name HB*  ) 3.5 1.7 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name HG*  ) 4.5 2.7 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name NE   ) 6.0 4.2 0.0
 assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 3.3 1.5 0.0
 assign (resid   27 and  name HA   )(resid   27 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   27 and  name HA   )(resid   27 and  name NE   ) 5.5 3.7 0.0
 assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 3.6 1.8 0.0
 assign (resid   27 and  name HB1  )(resid   28 and  name HN   ) 4.9 3.1 0.0
 assign (resid   27 and  name HB2  )(resid   28 and  name HN   ) 4.9 3.1 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 2.9 1.1 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HB1  ) 3.7 1.9 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HB2  ) 3.7 1.9 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HB*  ) 3.3 1.5 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HG*  ) 7.0 5.2 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HD*  ) 6.2 4.4 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HE*  ) 4.9 3.1 0.0
 assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 5.0 3.2 0.0
 assign (resid   28 and  name HA   )(resid   28 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   28 and  name HA   )(resid   28 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   28 and  name HA   )(resid   28 and  name HD*  ) 6.2 4.4 0.0
 assign (resid   28 and  name HA   )(resid   28 and  name HE*  ) 6.4 4.6 0.0
 assign (resid   28 and  name HA   )(resid   28 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   28 and  name HA   )(resid   29 and  name HN   ) 2.4 0.6 0.0
 assign (resid   28 and  name HB1  )(resid   28 and  name HE*  ) 7.0 5.2 0.0
 assign (resid   28 and  name HB1  )(resid   29 and  name HN   ) 3.6 1.8 0.0
 assign (resid   28 and  name HB2  )(resid   28 and  name HE*  ) 7.0 5.2 0.0
 assign (resid   28 and  name HB2  )(resid   29 and  name HN   ) 3.6 1.8 0.0
 assign (resid   28 and  name HB*  )(resid   28 and  name NZ   ) 6.9 5.1 0.0
 assign (resid   28 and  name HB*  )(resid   29 and  name HN   ) 3.3 1.5 0.0
 assign (resid   28 and  name HD*  )(resid   29 and  name HN   ) 5.8 4.0 0.0
 assign (resid   28 and  name HE*  )(resid   29 and  name HN   ) 7.0 5.2 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HB1  ) 3.1 1.3 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HB2  ) 3.1 1.3 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HB*  ) 2.9 1.1 0.0
 assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 4.6 2.8 0.0
 assign (resid   29 and  name HA   )(resid   29 and  name HB1  ) 3.0 1.2 0.0
 assign (resid   29 and  name HA   )(resid   29 and  name HB2  ) 3.0 1.2 0.0
 assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 2.4 0.6 0.0
 assign (resid   29 and  name HB1  )(resid   30 and  name HN   ) 4.1 2.3 0.0
 assign (resid   29 and  name HB2  )(resid   30 and  name HN   ) 4.1 2.3 0.0
 assign (resid   29 and  name HB*  )(resid   30 and  name HN   ) 3.8 2.0 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 2.9 1.1 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HG*  ) 7.0 5.2 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 4.7 2.9 0.0
 assign (resid   30 and  name HA   )(resid   30 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   30 and  name HA   )(resid   30 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   30 and  name HA   )(resid   30 and  name HD*  ) 6.6 4.8 0.0
 assign (resid   30 and  name HA   )(resid   30 and  name HE*  ) 5.4 3.6 0.0
 assign (resid   30 and  name HA   )(resid   30 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   30 and  name HA   )(resid   31 and  name HN   ) 2.4 0.6 0.0
 assign (resid   30 and  name HB1  )(resid   30 and  name HE*  ) 7.0 5.2 0.0
 assign (resid   30 and  name HB1  )(resid   30 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   30 and  name HB1  )(resid   31 and  name HN   ) 4.1 2.3 0.0
 assign (resid   30 and  name HB2  )(resid   30 and  name HE*  ) 7.0 5.2 0.0
 assign (resid   30 and  name HB2  )(resid   30 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   30 and  name HB2  )(resid   31 and  name HN   ) 4.1 2.3 0.0
 assign (resid   30 and  name HB*  )(resid   30 and  name HE*  ) 6.4 4.6 0.0
 assign (resid   30 and  name HB*  )(resid   31 and  name HN   ) 3.8 2.0 0.0
 assign (resid   30 and  name HG*  )(resid   31 and  name HN   ) 7.0 5.2 0.0
 assign (resid   30 and  name HD*  )(resid   31 and  name HN   ) 7.0 5.2 0.0
 assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 2.9 1.1 0.0
 assign (resid   31 and  name HN   )(resid   31 and  name HB1  ) 3.1 1.3 0.0
 assign (resid   31 and  name HN   )(resid   31 and  name HB2  ) 3.1 1.3 0.0
 assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 4.9 3.1 0.0
 assign (resid   31 and  name HA   )(resid   32 and  name HN   ) 2.4 0.6 0.0
 assign (resid   31 and  name HB1  )(resid   32 and  name HN   ) 4.5 2.7 0.0
 assign (resid   31 and  name HB2  )(resid   32 and  name HN   ) 4.5 2.7 0.0
 assign (resid   31 and  name HB*  )(resid   32 and  name HN   ) 3.8 2.0 0.0
 assign (resid   31 and  name HB*  )(resid   33 and  name HN   ) 4.7 2.9 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HB1  ) 3.2 1.4 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HB2  ) 3.2 1.4 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HD21 ) 6.0 4.2 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HD22 ) 6.0 4.2 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HD*  ) 5.8 4.0 0.0
 assign (resid   32 and  name HA   )(resid   32 and  name HD21 ) 6.0 4.2 0.0
 assign (resid   32 and  name HA   )(resid   32 and  name HD22 ) 6.0 4.2 0.0
 assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 2.4 0.6 0.0
 assign (resid   32 and  name HB1  )(resid   33 and  name HN   ) 4.7 2.9 0.0
 assign (resid   32 and  name HB2  )(resid   33 and  name HN   ) 4.7 2.9 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 2.9 1.1 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HB1  ) 3.1 1.3 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HB2  ) 3.1 1.3 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HB*  ) 2.9 1.1 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HG*  ) 5.2 3.4 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   33 and  name HN   )(resid   33 and  name NE   ) 6.0 4.2 0.0
 assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 4.3 2.5 0.0
 assign (resid   33 and  name HA   )(resid   33 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   33 and  name HA   )(resid   33 and  name NE   ) 6.0 4.2 0.0
 assign (resid   33 and  name HA   )(resid   34 and  name HN   ) 2.5 0.7 0.0
 assign (resid   34 and  name HN   )(resid   34 and  name HB1  ) 3.8 2.0 0.0
 assign (resid   34 and  name HN   )(resid   34 and  name HB2  ) 3.8 2.0 0.0
 assign (resid   34 and  name HN   )(resid   34 and  name HB*  ) 3.5 1.7 0.0
 assign (resid   34 and  name HN   )(resid   34 and  name HG1  ) 7.0 5.2 0.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HT1      ALA   1  -2.487  -0.451  -9.270
    2   2H    ALA   1           HT2      ALA   1  -3.041  -2.028  -9.551
    3   3H    ALA   1           HT3      ALA   1  -1.380  -1.732  -9.405
    4    HA   ALA   1           HA       ALA   1  -2.138  -2.722  -7.397
    5   1HB   ALA   1          HB1       ALA   1  -1.505  -1.000  -5.786
    6   2HB   ALA   1          HB2       ALA   1  -1.706   0.242  -7.021
    7   3HB   ALA   1          HB3       ALA   1  -0.438  -0.972  -7.190
    8    H    SER   2           HN       SER   2  -3.988  -3.397  -6.596
    9    HA   SER   2           HA       SER   2  -6.052  -1.420  -5.922
   10   1HB   SER   2          HB2       SER   2  -6.592  -4.153  -7.115
   11   2HB   SER   2          HB1       SER   2  -7.804  -2.963  -6.639
   12    HG   SER   2           HG       SER   2  -5.830  -2.641  -8.667
   13    H    CYS   3           HN       CYS   3  -6.595  -1.539  -3.835
   14    HA   CYS   3           HA       CYS   3  -5.704  -3.899  -2.334
   15   1HB   CYS   3          HB2       CYS   3  -5.736  -2.271  -0.385
   16   2HB   CYS   3          HB1       CYS   3  -4.496  -2.000  -1.608
   17    H    ARG   4           HN       ARG   4  -6.898  -4.408  -0.397
   18    HA   ARG   4           HA       ARG   4  -9.734  -3.646  -0.497
   19   1HB   ARG   4          HB2       ARG   4  -8.995  -6.114  -0.827
   20   2HB   ARG   4          HB1       ARG   4  -8.689  -6.089   0.900
   21   1HG   ARG   4          HG2       ARG   4 -11.018  -5.512   1.320
   22   2HG   ARG   4          HG1       ARG   4 -11.335  -5.521  -0.417
   23   1HD   ARG   4          HD2       ARG   4 -10.490  -7.852   1.295
   24   2HD   ARG   4          HD1       ARG   4 -12.063  -7.606   0.539
   25    HE   ARG   4           HE       ARG   4 -10.281  -7.577  -1.543
   26   1HH1  ARG   4          1HH1      ARG   4 -11.185  -9.849   0.979
   27   2HH1  ARG   4          2HH1      ARG   4 -10.641 -11.239   0.083
   28   1HH2  ARG   4          1HH2      ARG   4  -9.619  -9.406  -2.723
   29   2HH2  ARG   4          2HH2      ARG   4  -9.798 -10.987  -2.035
   30    H    THR   5           HN       THR   5  -6.881  -4.024   1.391
   31    HA   THR   5           HA       THR   5  -8.062  -2.465   3.559
   32    HB   THR   5           HB       THR   5  -6.606  -3.803   5.159
   33    HG1  THR   5           HG1      THR   5  -6.010  -5.895   4.417
   34   1HG2  THR   5          1HG2      THR   5  -9.028  -4.103   5.090
   35   2HG2  THR   5          2HG2      THR   5  -8.221  -5.645   5.372
   36   3HG2  THR   5          3HG2      THR   5  -8.861  -5.263   3.772
   37    HA   PRO   6           HA       PRO   6  -4.491   0.176   3.501
   38   1HB   PRO   6          HB2       PRO   6  -3.497  -0.165   6.081
   39   2HB   PRO   6          HB1       PRO   6  -4.711   1.008   5.605
   40   1HG   PRO   6          HG2       PRO   6  -5.022  -1.684   6.843
   41   2HG   PRO   6          HG1       PRO   6  -5.936  -0.192   7.145
   42   1HD   PRO   6          HD2       PRO   6  -6.972  -2.124   5.663
   43   2HD   PRO   6          HD1       PRO   6  -7.177  -0.423   5.206
   44    H    LYS   7           HN       LYS   7  -3.786  -2.765   5.384
   45    HA   LYS   7           HA       LYS   7  -1.065  -2.821   4.602
   46   1HB   LYS   7          HB2       LYS   7  -2.037  -3.841   6.710
   47   2HB   LYS   7          HB1       LYS   7  -2.661  -5.135   5.695
   48   1HG   LYS   7          HG2       LYS   7  -0.245  -5.464   4.930
   49   2HG   LYS   7          HG1       LYS   7   0.195  -4.450   6.305
   50   1HD   LYS   7          HD2       LYS   7   0.343  -6.758   6.965
   51   2HD   LYS   7          HD1       LYS   7  -1.037  -6.022   7.784
   52   1HE   LYS   7          HE2       LYS   7  -1.604  -8.238   6.935
   53   2HE   LYS   7          HE1       LYS   7  -2.548  -6.987   6.129
   54   1HZ   LYS   7          HZ1       LYS   7  -1.036  -7.115   4.244
   55   2HZ   LYS   7          HZ2       LYS   7  -1.733  -8.627   4.556
   56   3HZ   LYS   7          HZ3       LYS   7  -0.130  -8.318   5.017
   57    H    ASP   8           HN       ASP   8  -3.810  -3.433   2.839
   58    HA   ASP   8           HA       ASP   8  -2.811  -5.727   1.400
   59   1HB   ASP   8          HB2       ASP   8  -5.277  -5.041   1.662
   60   2HB   ASP   8          HB1       ASP   8  -4.954  -3.874   0.383
   61    H    CYS   9           HN       CYS   9  -2.391  -2.290   1.199
   62    HA   CYS   9           HA       CYS   9  -1.251  -2.413  -1.449
   63   1HB   CYS   9          HB2       CYS   9  -1.008  -0.189   0.572
   64   2HB   CYS   9          HB1       CYS   9  -0.569  -0.113  -1.112
   65    H    ALA  10           HN       ALA  10  -0.245  -3.572   1.434
   66    HA   ALA  10           HA       ALA  10   2.441  -2.685   1.565
   67   1HB   ALA  10          HB1       ALA  10   1.301  -3.753   3.460
   68   2HB   ALA  10          HB2       ALA  10   2.812  -4.569   3.060
   69   3HB   ALA  10          HB3       ALA  10   1.273  -5.278   2.575
   70    H    ASP  11           HN       ASP  11   0.798  -5.009  -0.379
   71    HA   ASP  11           HA       ASP  11   3.146  -6.444  -1.172
   72   1HB   ASP  11          HB2       ASP  11   0.788  -7.373  -1.199
   73   2HB   ASP  11          HB1       ASP  11   0.489  -6.367  -2.609
   74    HA   PRO  12           HA       PRO  12   2.711  -3.520  -5.098
   75   1HB   PRO  12          HB2       PRO  12   1.280  -1.218  -4.401
   76   2HB   PRO  12          HB1       PRO  12   0.752  -2.486  -5.509
   77   1HG   PRO  12          HG2       PRO  12   0.035  -2.016  -2.675
   78   2HG   PRO  12          HG1       PRO  12  -0.917  -2.752  -3.976
   79   1HD   PRO  12          HD2       PRO  12   0.224  -4.193  -1.984
   80   2HD   PRO  12          HD1       PRO  12  -0.022  -4.833  -3.619
   81    H    CYS  13           HN       CYS  13   2.484  -1.895  -1.887
   82    HA   CYS  13           HA       CYS  13   4.463   0.040  -2.437
   83   1HB   CYS  13          HB2       CYS  13   2.936   0.038  -0.488
   84   2HB   CYS  13          HB1       CYS  13   3.887  -1.247   0.233
   85    H    ARG  14           HN       ARG  14   4.793  -3.259  -1.239
   86    HA   ARG  14           HA       ARG  14   7.588  -3.165  -0.914
   87   1HB   ARG  14          HB2       ARG  14   6.106  -4.981  -0.053
   88   2HB   ARG  14          HB1       ARG  14   5.938  -5.571  -1.699
   89   1HG   ARG  14          HG2       ARG  14   8.388  -5.932  -1.774
   90   2HG   ARG  14          HG1       ARG  14   8.473  -5.452  -0.078
   91   1HD   ARG  14          HD2       ARG  14   8.431  -7.857  -0.217
   92   2HD   ARG  14          HD1       ARG  14   6.915  -7.287   0.482
   93    HE   ARG  14           HE       ARG  14   7.250  -8.262  -2.283
   94   1HH1  ARG  14          1HH1      ARG  14   5.273  -7.639   0.527
   95   2HH1  ARG  14          2HH1      ARG  14   3.854  -8.391  -0.132
   96   1HH2  ARG  14          1HH2      ARG  14   5.399  -9.268  -3.166
   97   2HH2  ARG  14          2HH2      ARG  14   3.912  -9.292  -2.255
   98    H    LYS  15           HN       LYS  15   5.689  -3.175  -3.768
   99    HA   LYS  15           HA       LYS  15   7.938  -3.916  -5.465
  100   1HB   LYS  15          HB2       LYS  15   5.839  -4.668  -6.287
  101   2HB   LYS  15          HB1       LYS  15   5.078  -3.114  -5.968
  102   1HG   LYS  15          HG2       LYS  15   6.805  -2.235  -7.715
  103   2HG   LYS  15          HG1       LYS  15   6.854  -3.928  -8.216
  104   1HD   LYS  15          HD2       LYS  15   4.592  -3.942  -8.798
  105   2HD   LYS  15          HD1       LYS  15   4.250  -2.481  -7.867
  106   1HE   LYS  15          HE2       LYS  15   5.818  -2.684 -10.432
  107   2HE   LYS  15          HE1       LYS  15   4.239  -1.930 -10.207
  108   1HZ   LYS  15          HZ1       LYS  15   5.902  -0.233 -10.273
  109   2HZ   LYS  15          HZ2       LYS  15   6.830  -1.002  -9.090
  110   3HZ   LYS  15          HZ3       LYS  15   5.332  -0.325  -8.679
  111    H    GLU  16           HN       GLU  16   6.041  -1.149  -4.471
  112    HA   GLU  16           HA       GLU  16   7.103   0.744  -6.235
  113   1HB   GLU  16          HB2       GLU  16   5.530   0.751  -3.690
  114   2HB   GLU  16          HB1       GLU  16   6.072   2.242  -4.405
  115   1HG   GLU  16          HG2       GLU  16   4.285   0.201  -5.669
  116   2HG   GLU  16          HG1       GLU  16   3.806   1.789  -5.067
  117    H    THR  17           HN       THR  17   7.628   0.208  -2.765
  118    HA   THR  17           HA       THR  17  10.085   1.832  -2.973
  119    HB   THR  17           HB       THR  17   8.585   1.348  -0.407
  120    HG1  THR  17           HG1      THR  17   7.023   2.532  -1.207
  121   1HG2  THR  17          1HG2      THR  17  10.398   3.578  -1.355
  122   2HG2  THR  17          2HG2      THR  17  10.843   2.279  -0.246
  123   3HG2  THR  17          3HG2      THR  17   9.639   3.477   0.235
  124    H    GLY  18           HN       GLY  18   8.696  -1.171  -2.201
  125   1HA   GLY  18          HA2       GLY  18   9.935  -3.159  -2.015
  126   2HA   GLY  18          HA1       GLY  18  11.321  -2.232  -1.452
  127    H    CYS  19           HN       CYS  19   8.949  -0.894   0.174
  128    HA   CYS  19           HA       CYS  19   9.349  -2.598   2.509
  129   1HB   CYS  19          HB2       CYS  19   8.306   0.232   2.293
  130   2HB   CYS  19          HB1       CYS  19   8.658  -0.628   3.778
  131    HG   CYS  19           HG       CYS  19  11.319  -0.574   1.810
  132    HA   PRO  20           HA       PRO  20   5.084  -3.830   2.000
  133   1HB   PRO  20          HB2       PRO  20   4.876  -5.364   4.208
  134   2HB   PRO  20          HB1       PRO  20   5.807  -5.879   2.795
  135   1HG   PRO  20          HG2       PRO  20   6.770  -4.674   5.361
  136   2HG   PRO  20          HG1       PRO  20   7.445  -6.031   4.440
  137   1HD   PRO  20          HD2       PRO  20   8.441  -3.490   4.325
  138   2HD   PRO  20          HD1       PRO  20   8.560  -4.648   2.987
  139    H    TYR  21           HN       TYR  21   5.253  -1.247   2.806
  140    HA   TYR  21           HA       TYR  21   3.456  -1.084   5.126
  141   1HB   TYR  21          HB2       TYR  21   5.373   0.946   3.977
  142   2HB   TYR  21          HB1       TYR  21   4.179   1.314   5.202
  143    HD1  TYR  21           HD1      TYR  21   4.357   0.206   7.457
  144    HD2  TYR  21           HD2      TYR  21   7.440  -0.033   4.547
  145    HE1  TYR  21           HE1      TYR  21   5.958  -0.422   9.217
  146    HE2  TYR  21           HE2      TYR  21   9.046  -0.670   6.292
  147    HH   TYR  21           HH       TYR  21   9.337  -0.462   8.677
  148    H    GLY  22           HN       GLY  22   2.261   1.216   4.826
  149   1HA   GLY  22          HA2       GLY  22   1.514   2.673   2.921
  150   2HA   GLY  22          HA1       GLY  22   1.097   1.166   2.134
  151    H    LYS  23           HN       LYS  23  -0.925   2.526   2.048
  152    HA   LYS  23           HA       LYS  23  -2.739   1.524   4.077
  153   1HB   LYS  23          HB2       LYS  23  -1.846   3.891   4.688
  154   2HB   LYS  23          HB1       LYS  23  -2.867   4.432   3.366
  155   1HG   LYS  23          HG2       LYS  23  -4.831   3.599   4.441
  156   2HG   LYS  23          HG1       LYS  23  -3.868   2.855   5.716
  157   1HD   LYS  23          HD2       LYS  23  -3.973   5.823   5.171
  158   2HD   LYS  23          HD1       LYS  23  -4.953   4.999   6.383
  159   1HE   LYS  23          HE2       LYS  23  -3.154   5.809   7.615
  160   2HE   LYS  23          HE1       LYS  23  -2.712   4.132   7.301
  161   1HZ   LYS  23          HZ1       LYS  23  -0.828   5.552   6.917
  162   2HZ   LYS  23          HZ2       LYS  23  -1.708   6.520   5.841
  163   3HZ   LYS  23          HZ3       LYS  23  -1.341   4.919   5.434
  164    H    CYS  24           HN       CYS  24  -4.991   1.755   3.330
  165    HA   CYS  24           HA       CYS  24  -5.115   1.989   0.397
  166   1HB   CYS  24          HB2       CYS  24  -5.463  -0.308   1.293
  167   2HB   CYS  24          HB1       CYS  24  -6.813   0.291   2.241
  168    H    MET  25           HN       MET  25  -6.560   3.452  -0.416
  169    HA   MET  25           HA       MET  25  -8.095   4.989   1.554
  170   1HB   MET  25          HB2       MET  25  -6.715   5.997  -0.383
  171   2HB   MET  25          HB1       MET  25  -8.057   5.491  -1.389
  172   1HG   MET  25          HG2       MET  25  -9.575   6.909  -0.225
  173   2HG   MET  25          HG1       MET  25  -8.361   7.289   0.994
  174   1HE   MET  25          HE1       MET  25 -10.082   9.502  -0.586
  175   2HE   MET  25          HE2       MET  25  -8.820  10.701  -0.875
  176   3HE   MET  25          HE3       MET  25  -8.900   9.859   0.673
  177    H    ASN  26           HN       ASN  26 -10.392   5.597   0.729
  178    HA   ASN  26           HA       ASN  26 -12.050   3.518   1.103
  179   1HB   ASN  26          HB2       ASN  26 -12.558   5.946  -0.584
  180   2HB   ASN  26          HB1       ASN  26 -13.823   4.808  -0.134
  181   1HD2  ASN  26          1HD2      ASN  26 -13.558   7.629   0.544
  182   2HD2  ASN  26          2HD2      ASN  26 -13.546   7.706   2.274
  183    H    ARG  27           HN       ARG  27 -11.159   4.646  -2.161
  184    HA   ARG  27           HA       ARG  27 -11.078   1.831  -2.911
  185   1HB   ARG  27          HB2       ARG  27 -12.755   3.886  -4.259
  186   2HB   ARG  27          HB1       ARG  27 -11.996   2.646  -5.243
  187   1HG   ARG  27          HG2       ARG  27 -13.881   2.175  -2.933
  188   2HG   ARG  27          HG1       ARG  27 -14.275   2.022  -4.646
  189   1HD   ARG  27          HD2       ARG  27 -13.889  -0.182  -3.832
  190   2HD   ARG  27          HD1       ARG  27 -12.479   0.257  -4.792
  191    HE   ARG  27           HE       ARG  27 -12.237   0.788  -1.960
  192   1HH1  ARG  27          1HH1      ARG  27 -11.733  -1.589  -4.500
  193   2HH1  ARG  27          2HH1      ARG  27 -10.469  -2.409  -3.632
  194   1HH2  ARG  27          1HH2      ARG  27 -10.574  -0.282  -0.853
  195   2HH2  ARG  27          2HH2      ARG  27  -9.799  -1.657  -1.580
  196    H    LYS  28           HN       LYS  28  -8.981   3.498  -2.219
  197    HA   LYS  28           HA       LYS  28  -7.486   3.450  -4.727
  198   1HB   LYS  28          HB2       LYS  28  -7.329   5.626  -2.656
  199   2HB   LYS  28          HB1       LYS  28  -6.293   5.483  -4.060
  200   1HG   LYS  28          HG2       LYS  28  -8.159   5.839  -5.533
  201   2HG   LYS  28          HG1       LYS  28  -9.275   5.836  -4.167
  202   1HD   LYS  28          HD2       LYS  28  -8.047   7.818  -3.272
  203   2HD   LYS  28          HD1       LYS  28  -7.137   7.866  -4.785
  204   1HE   LYS  28          HE2       LYS  28 -10.135   8.010  -4.558
  205   2HE   LYS  28          HE1       LYS  28  -9.074   9.404  -4.759
  206   1HZ   LYS  28          HZ1       LYS  28 -10.065   8.652  -6.855
  207   2HZ   LYS  28          HZ2       LYS  28  -9.301   7.150  -6.683
  208   3HZ   LYS  28          HZ3       LYS  28  -8.370   8.553  -6.886
  209    H    CYS  29           HN       CYS  29  -5.080   3.647  -4.127
  210    HA   CYS  29           HA       CYS  29  -4.504   1.982  -1.773
  211   1HB   CYS  29          HB2       CYS  29  -4.637   0.833  -4.137
  212   2HB   CYS  29          HB1       CYS  29  -3.072   1.573  -4.351
  213    H    LYS  30           HN       LYS  30  -2.799   2.688  -0.687
  214    HA   LYS  30           HA       LYS  30  -0.969   4.578  -2.000
  215   1HB   LYS  30          HB2       LYS  30  -2.697   5.587  -0.375
  216   2HB   LYS  30          HB1       LYS  30  -1.712   4.846   0.873
  217   1HG   LYS  30          HG2       LYS  30  -1.083   7.151   0.613
  218   2HG   LYS  30          HG1       LYS  30   0.237   6.107   0.078
  219   1HD   LYS  30          HD2       LYS  30  -0.057   7.935  -1.488
  220   2HD   LYS  30          HD1       LYS  30  -0.509   6.409  -2.254
  221   1HE   LYS  30          HE2       LYS  30  -2.883   6.915  -1.703
  222   2HE   LYS  30          HE1       LYS  30  -2.366   8.497  -1.123
  223   1HZ   LYS  30          HZ1       LYS  30  -1.441   8.903  -3.370
  224   2HZ   LYS  30          HZ2       LYS  30  -3.129   8.722  -3.347
  225   3HZ   LYS  30          HZ3       LYS  30  -2.146   7.449  -3.886
  226    H    CYS  31           HN       CYS  31   1.138   4.422  -1.494
  227    HA   CYS  31           HA       CYS  31   1.909   2.391   0.469
  228   1HB   CYS  31          HB2       CYS  31   2.737   1.541  -1.464
  229   2HB   CYS  31          HB1       CYS  31   2.979   3.096  -2.209
  230    H    ASN  32           HN       ASN  32   3.920   2.778   1.537
  231    HA   ASN  32           HA       ASN  32   4.206   5.619   2.194
  232   1HB   ASN  32          HB2       ASN  32   3.774   4.096   4.096
  233   2HB   ASN  32          HB1       ASN  32   5.229   3.189   3.696
  234   1HD2  ASN  32          1HD2      ASN  32   6.128   3.600   5.713
  235   2HD2  ASN  32          2HD2      ASN  32   6.775   5.149   6.132
  236    H    ARG  33           HN       ARG  33   5.220   5.511  -0.069
  237    HA   ARG  33           HA       ARG  33   7.890   4.610  -0.308
  238   1HB   ARG  33          HB2       ARG  33   6.468   5.247  -2.260
  239   2HB   ARG  33          HB1       ARG  33   6.602   6.931  -1.765
  240   1HG   ARG  33          HG2       ARG  33   9.083   6.721  -1.989
  241   2HG   ARG  33          HG1       ARG  33   8.824   5.118  -2.673
  242   1HD   ARG  33          HD2       ARG  33   7.663   7.657  -3.795
  243   2HD   ARG  33          HD1       ARG  33   9.154   6.911  -4.361
  244    HE   ARG  33           HE       ARG  33   6.924   5.113  -4.425
  245   1HH1  ARG  33          1HH1      ARG  33   8.611   7.646  -6.116
  246   2HH1  ARG  33          2HH1      ARG  33   7.980   7.226  -7.676
  247   1HH2  ARG  33          1HH2      ARG  33   6.069   4.519  -6.513
  248   2HH2  ARG  33          2HH2      ARG  33   6.543   5.462  -7.897
  249    H    CYS  34           HN       CYS  34   9.432   5.230   1.008
  250    HA   CYS  34           HA       CYS  34   9.638   8.078   1.716
  251   1HB   CYS  34          HB2       CYS  34   8.983   6.653   3.639
  252   2HB   CYS  34          HB1       CYS  34  10.443   5.699   3.410
  253    HG   CYS  34           HG       CYS  34  12.204   7.502   4.307
  Start of MODEL    2
    1   1H    ALA   1           HT1      ALA   1   0.313   0.288  -7.138
    2   2H    ALA   1           HT2      ALA   1  -0.984   1.307  -6.773
    3   3H    ALA   1           HT3      ALA   1  -1.174   0.069  -7.913
    4    HA   ALA   1           HA       ALA   1  -0.800  -1.580  -6.200
    5   1HB   ALA   1          HB1       ALA   1   0.587  -0.205  -4.745
    6   2HB   ALA   1          HB2       ALA   1  -0.762  -0.896  -3.859
    7   3HB   ALA   1          HB3       ALA   1  -0.804   0.792  -4.348
    8    H    SER   2           HN       SER   2  -2.664  -2.590  -5.979
    9    HA   SER   2           HA       SER   2  -5.106  -1.018  -5.536
   10   1HB   SER   2          HB2       SER   2  -4.900  -3.743  -6.836
   11   2HB   SER   2          HB1       SER   2  -6.318  -2.695  -6.771
   12    HG   SER   2           HG       SER   2  -5.601  -1.652  -8.452
   13    H    CYS   3           HN       CYS   3  -6.208  -1.451  -3.689
   14    HA   CYS   3           HA       CYS   3  -5.204  -3.677  -2.052
   15   1HB   CYS   3          HB2       CYS   3  -5.732  -2.120  -0.117
   16   2HB   CYS   3          HB1       CYS   3  -4.343  -1.696  -1.112
   17    H    ARG   4           HN       ARG   4  -6.550  -4.572  -0.544
   18    HA   ARG   4           HA       ARG   4  -9.421  -3.978  -0.721
   19   1HB   ARG   4          HB2       ARG   4  -8.559  -6.348  -1.012
   20   2HB   ARG   4          HB1       ARG   4  -8.068  -6.291   0.659
   21   1HG   ARG   4          HG2       ARG   4 -10.356  -6.021   1.363
   22   2HG   ARG   4          HG1       ARG   4 -10.893  -5.954  -0.311
   23   1HD   ARG   4          HD2       ARG   4  -9.571  -8.297   1.051
   24   2HD   ARG   4          HD1       ARG   4 -11.275  -8.172   0.604
   25    HE   ARG   4           HE       ARG   4 -10.561  -8.161  -1.727
   26   1HH1  ARG   4          1HH1      ARG   4  -8.259  -9.259   0.662
   27   2HH1  ARG   4          2HH1      ARG   4  -7.319 -10.180  -0.463
   28   1HH2  ARG   4          1HH2      ARG   4  -9.306  -9.355  -3.236
   29   2HH2  ARG   4          2HH2      ARG   4  -7.903 -10.228  -2.680
   30    H    THR   5           HN       THR   5  -6.654  -4.180   1.293
   31    HA   THR   5           HA       THR   5  -7.878  -2.409   3.250
   32    HB   THR   5           HB       THR   5  -6.383  -3.834   4.950
   33    HG1  THR   5           HG1      THR   5  -5.921  -5.775   4.238
   34   1HG2  THR   5          1HG2      THR   5  -9.170  -4.600   4.082
   35   2HG2  THR   5          2HG2      THR   5  -8.750  -3.348   5.252
   36   3HG2  THR   5          3HG2      THR   5  -8.421  -5.045   5.612
   37    HA   PRO   6           HA       PRO   6  -4.128  -0.040   3.292
   38   1HB   PRO   6          HB2       PRO   6  -3.235  -0.378   5.915
   39   2HB   PRO   6          HB1       PRO   6  -4.328   0.870   5.361
   40   1HG   PRO   6          HG2       PRO   6  -4.904  -1.735   6.675
   41   2HG   PRO   6          HG1       PRO   6  -5.708  -0.165   6.888
   42   1HD   PRO   6          HD2       PRO   6  -6.838  -2.071   5.445
   43   2HD   PRO   6          HD1       PRO   6  -6.894  -0.377   4.914
   44    H    LYS   7           HN       LYS   7  -3.564  -2.868   5.391
   45    HA   LYS   7           HA       LYS   7  -0.892  -3.103   4.393
   46   1HB   LYS   7          HB2       LYS   7  -2.441  -4.630   6.464
   47   2HB   LYS   7          HB1       LYS   7  -0.830  -5.115   5.956
   48   1HG   LYS   7          HG2       LYS   7  -1.602  -2.500   7.238
   49   2HG   LYS   7          HG1       LYS   7  -0.669  -3.809   7.970
   50   1HD   LYS   7          HD2       LYS   7   1.055  -3.482   6.222
   51   2HD   LYS   7          HD1       LYS   7   0.137  -2.101   5.619
   52   1HE   LYS   7          HE2       LYS   7   1.918  -1.312   7.036
   53   2HE   LYS   7          HE1       LYS   7   0.373  -1.031   7.838
   54   1HZ   LYS   7          HZ1       LYS   7   2.040  -3.414   8.392
   55   2HZ   LYS   7          HZ2       LYS   7   0.744  -2.811   9.305
   56   3HZ   LYS   7          HZ3       LYS   7   2.212  -1.967   9.254
   57    H    ASP   8           HN       ASP   8  -3.742  -3.951   3.094
   58    HA   ASP   8           HA       ASP   8  -3.025  -6.515   2.025
   59   1HB   ASP   8          HB2       ASP   8  -5.360  -5.839   2.063
   60   2HB   ASP   8          HB1       ASP   8  -5.001  -4.436   1.064
   61    H    CYS   9           HN       CYS   9  -2.322  -3.217   1.296
   62    HA   CYS   9           HA       CYS   9  -1.091  -3.824  -1.243
   63   1HB   CYS   9          HB2       CYS   9  -1.433  -1.334   0.359
   64   2HB   CYS   9          HB1       CYS   9  -0.165  -1.397  -0.838
   65    H    ALA  10           HN       ALA  10  -0.180  -4.802   1.616
   66    HA   ALA  10           HA       ALA  10   2.411  -3.679   1.881
   67   1HB   ALA  10          HB1       ALA  10   1.252  -4.773   3.768
   68   2HB   ALA  10          HB2       ALA  10   2.846  -5.475   3.479
   69   3HB   ALA  10          HB3       ALA  10   1.398  -6.325   2.942
   70    H    ASP  11           HN       ASP  11   1.060  -6.257   0.023
   71    HA   ASP  11           HA       ASP  11   3.651  -7.243  -0.789
   72   1HB   ASP  11          HB2       ASP  11   1.762  -8.806  -0.683
   73   2HB   ASP  11          HB1       ASP  11   0.896  -7.860  -1.878
   74    HA   PRO  12           HA       PRO  12   2.106  -4.788  -4.876
   75   1HB   PRO  12          HB2       PRO  12   0.517  -2.808  -3.376
   76   2HB   PRO  12          HB1       PRO  12   0.216  -3.527  -4.955
   77   1HG   PRO  12          HG2       PRO  12  -1.036  -4.218  -2.577
   78   2HG   PRO  12          HG1       PRO  12  -1.050  -5.160  -4.073
   79   1HD   PRO  12          HD2       PRO  12   0.200  -5.825  -1.577
   80   2HD   PRO  12          HD1       PRO  12   0.180  -6.747  -3.087
   81    H    CYS  13           HN       CYS  13   2.178  -2.894  -1.792
   82    HA   CYS  13           HA       CYS  13   3.762  -0.872  -2.978
   83   1HB   CYS  13          HB2       CYS  13   3.222  -1.631  -0.109
   84   2HB   CYS  13          HB1       CYS  13   4.183  -0.248  -0.566
   85    H    ARG  14           HN       ARG  14   4.569  -3.828  -1.243
   86    HA   ARG  14           HA       ARG  14   7.339  -3.272  -1.097
   87   1HB   ARG  14          HB2       ARG  14   6.104  -5.012   0.246
   88   2HB   ARG  14          HB1       ARG  14   6.044  -6.002  -1.197
   89   1HG   ARG  14          HG2       ARG  14   8.519  -5.991  -1.251
   90   2HG   ARG  14          HG1       ARG  14   8.509  -5.116   0.276
   91   1HD   ARG  14          HD2       ARG  14   8.811  -7.403   0.810
   92   2HD   ARG  14          HD1       ARG  14   7.139  -7.015   1.214
   93    HE   ARG  14           HE       ARG  14   7.892  -8.360  -1.299
   94   1HH1  ARG  14          1HH1      ARG  14   5.808  -8.042   1.500
   95   2HH1  ARG  14          2HH1      ARG  14   4.839  -9.419   1.093
   96   1HH2  ARG  14          1HH2      ARG  14   6.632 -10.190  -1.816
   97   2HH2  ARG  14          2HH2      ARG  14   5.295 -10.630  -0.793
   98    H    LYS  15           HN       LYS  15   5.275  -4.356  -3.655
   99    HA   LYS  15           HA       LYS  15   7.503  -5.310  -5.255
  100   1HB   LYS  15          HB2       LYS  15   5.316  -6.381  -5.477
  101   2HB   LYS  15          HB1       LYS  15   4.595  -4.838  -5.913
  102   1HG   LYS  15          HG2       LYS  15   5.868  -4.775  -7.967
  103   2HG   LYS  15          HG1       LYS  15   6.689  -6.277  -7.530
  104   1HD   LYS  15          HD2       LYS  15   3.701  -6.179  -7.695
  105   2HD   LYS  15          HD1       LYS  15   4.664  -6.330  -9.165
  106   1HE   LYS  15          HE2       LYS  15   3.959  -8.516  -8.358
  107   2HE   LYS  15          HE1       LYS  15   5.710  -8.353  -8.274
  108   1HZ   LYS  15          HZ1       LYS  15   3.915  -7.915  -5.954
  109   2HZ   LYS  15          HZ2       LYS  15   5.608  -8.053  -5.941
  110   3HZ   LYS  15          HZ3       LYS  15   4.651  -9.403  -6.295
  111    H    GLU  16           HN       GLU  16   5.436  -2.505  -4.961
  112    HA   GLU  16           HA       GLU  16   6.344  -1.298  -7.372
  113   1HB   GLU  16          HB2       GLU  16   4.368  -0.839  -5.233
  114   2HB   GLU  16          HB1       GLU  16   4.873   0.540  -6.161
  115   1HG   GLU  16          HG2       GLU  16   4.113  -0.403  -8.196
  116   2HG   GLU  16          HG1       GLU  16   3.906  -1.980  -7.444
  117    H    THR  17           HN       THR  17   6.715  -0.614  -3.887
  118    HA   THR  17           HA       THR  17   8.864   1.245  -4.668
  119    HB   THR  17           HB       THR  17   6.963   2.520  -3.801
  120    HG1  THR  17           HG1      THR  17   9.385   2.842  -3.124
  121   1HG2  THR  17          1HG2      THR  17   6.011   0.780  -2.335
  122   2HG2  THR  17          2HG2      THR  17   6.216   2.323  -1.504
  123   3HG2  THR  17          3HG2      THR  17   7.357   1.006  -1.219
  124    H    GLY  18           HN       GLY  18   8.042  -1.534  -3.018
  125   1HA   GLY  18          HA2       GLY  18   9.617  -3.053  -2.218
  126   2HA   GLY  18          HA1       GLY  18  10.774  -1.743  -2.023
  127    H    CYS  19           HN       CYS  19   8.080  -0.542  -0.740
  128    HA   CYS  19           HA       CYS  19   8.877  -1.271   1.960
  129   1HB   CYS  19          HB2       CYS  19   7.055   0.932   0.991
  130   2HB   CYS  19          HB1       CYS  19   7.634   0.709   2.630
  131    HG   CYS  19           HG       CYS  19  10.326   0.820   0.891
  132    HA   PRO  20           HA       PRO  20   5.197  -3.823   1.937
  133   1HB   PRO  20          HB2       PRO  20   5.641  -5.101   4.250
  134   2HB   PRO  20          HB1       PRO  20   6.624  -5.421   2.812
  135   1HG   PRO  20          HG2       PRO  20   7.245  -3.714   5.190
  136   2HG   PRO  20          HG1       PRO  20   8.288  -4.861   4.334
  137   1HD   PRO  20          HD2       PRO  20   8.348  -2.152   3.934
  138   2HD   PRO  20          HD1       PRO  20   8.833  -3.344   2.713
  139    H    TYR  21           HN       TYR  21   5.295  -0.998   3.183
  140    HA   TYR  21           HA       TYR  21   2.913  -1.414   4.793
  141   1HB   TYR  21          HB2       TYR  21   3.751   0.734   6.012
  142   2HB   TYR  21          HB1       TYR  21   4.284  -0.845   6.509
  143    HD1  TYR  21           HD1      TYR  21   5.265   2.140   4.570
  144    HD2  TYR  21           HD2      TYR  21   6.589  -1.387   6.520
  145    HE1  TYR  21           HE1      TYR  21   7.598   2.855   4.273
  146    HE2  TYR  21           HE2      TYR  21   8.926  -0.678   6.237
  147    HH   TYR  21           HH       TYR  21  10.271   0.745   4.904
  148    H    GLY  22           HN       GLY  22   1.625   0.562   5.017
  149   1HA   GLY  22          HA2       GLY  22   1.597   2.783   3.487
  150   2HA   GLY  22          HA1       GLY  22   1.137   1.525   2.350
  151    H    LYS  23           HN       LYS  23  -0.834   2.892   2.262
  152    HA   LYS  23           HA       LYS  23  -2.764   1.909   4.226
  153   1HB   LYS  23          HB2       LYS  23  -1.857   4.287   4.756
  154   2HB   LYS  23          HB1       LYS  23  -2.796   4.785   3.358
  155   1HG   LYS  23          HG2       LYS  23  -4.032   5.163   5.403
  156   2HG   LYS  23          HG1       LYS  23  -4.830   3.954   4.399
  157   1HD   LYS  23          HD2       LYS  23  -4.842   3.292   6.750
  158   2HD   LYS  23          HD1       LYS  23  -3.884   2.171   5.782
  159   1HE   LYS  23          HE2       LYS  23  -2.809   2.730   7.925
  160   2HE   LYS  23          HE1       LYS  23  -1.837   3.214   6.536
  161   1HZ   LYS  23          HZ1       LYS  23  -3.659   5.118   7.877
  162   2HZ   LYS  23          HZ2       LYS  23  -2.322   5.450   6.887
  163   3HZ   LYS  23          HZ3       LYS  23  -2.087   4.853   8.451
  164    H    CYS  24           HN       CYS  24  -5.002   2.235   3.432
  165    HA   CYS  24           HA       CYS  24  -5.085   2.246   0.491
  166   1HB   CYS  24          HB2       CYS  24  -5.377  -0.001   1.514
  167   2HB   CYS  24          HB1       CYS  24  -6.720   0.607   2.456
  168    H    MET  25           HN       MET  25  -6.622   3.552  -0.425
  169    HA   MET  25           HA       MET  25  -8.172   5.253   1.389
  170   1HB   MET  25          HB2       MET  25  -6.703   6.102  -0.533
  171   2HB   MET  25          HB1       MET  25  -7.981   5.512  -1.575
  172   1HG   MET  25          HG2       MET  25  -9.561   7.027  -0.625
  173   2HG   MET  25          HG1       MET  25  -8.405   7.525   0.601
  174   1HE   MET  25          HE1       MET  25  -8.773  10.729  -1.627
  175   2HE   MET  25          HE2       MET  25  -8.863  10.081   0.004
  176   3HE   MET  25          HE3       MET  25 -10.033   9.569  -1.203
  177    H    ASN  26           HN       ASN  26 -10.425   5.848   0.359
  178    HA   ASN  26           HA       ASN  26 -12.247   3.951   0.726
  179   1HB   ASN  26          HB2       ASN  26 -12.301   6.189  -1.245
  180   2HB   ASN  26          HB1       ASN  26 -13.678   5.105  -1.090
  181   1HD2  ASN  26          1HD2      ASN  26 -15.026   6.705  -0.326
  182   2HD2  ASN  26          2HD2      ASN  26 -14.881   7.366   1.259
  183    H    ARG  27           HN       ARG  27 -11.112   4.572  -2.593
  184    HA   ARG  27           HA       ARG  27 -10.903   1.682  -2.893
  185   1HB   ARG  27          HB2       ARG  27 -12.594   3.442  -4.595
  186   2HB   ARG  27          HB1       ARG  27 -11.736   2.113  -5.362
  187   1HG   ARG  27          HG2       ARG  27 -13.687   1.873  -3.073
  188   2HG   ARG  27          HG1       ARG  27 -14.014   1.477  -4.759
  189   1HD   ARG  27          HD2       ARG  27 -13.558  -0.579  -3.690
  190   2HD   ARG  27          HD1       ARG  27 -12.107  -0.183  -4.603
  191    HE   ARG  27           HE       ARG  27 -12.129   0.622  -1.806
  192   1HH1  ARG  27          1HH1      ARG  27 -11.173  -1.797  -4.155
  193   2HH1  ARG  27          2HH1      ARG  27  -9.886  -2.422  -3.158
  194   1HH2  ARG  27          1HH2      ARG  27 -10.461  -0.233  -0.482
  195   2HH2  ARG  27          2HH2      ARG  27  -9.490  -1.540  -1.088
  196    H    LYS  28           HN       LYS  28  -8.948   3.611  -2.391
  197    HA   LYS  28           HA       LYS  28  -7.289   3.214  -4.775
  198   1HB   LYS  28          HB2       LYS  28  -7.261   5.602  -2.942
  199   2HB   LYS  28          HB1       LYS  28  -6.121   5.311  -4.239
  200   1HG   LYS  28          HG2       LYS  28  -7.823   5.587  -5.883
  201   2HG   LYS  28          HG1       LYS  28  -9.079   5.650  -4.644
  202   1HD   LYS  28          HD2       LYS  28  -8.013   7.693  -3.734
  203   2HD   LYS  28          HD1       LYS  28  -6.861   7.647  -5.069
  204   1HE   LYS  28          HE2       LYS  28  -9.838   7.760  -5.455
  205   2HE   LYS  28          HE1       LYS  28  -8.819   9.197  -5.369
  206   1HZ   LYS  28          HZ1       LYS  28  -9.210   8.547  -7.655
  207   2HZ   LYS  28          HZ2       LYS  28  -8.569   7.005  -7.360
  208   3HZ   LYS  28          HZ3       LYS  28  -7.564   8.370  -7.271
  209    H    CYS  29           HN       CYS  29  -4.939   3.364  -4.069
  210    HA   CYS  29           HA       CYS  29  -4.505   2.616  -1.294
  211   1HB   CYS  29          HB2       CYS  29  -4.439   0.542  -2.391
  212   2HB   CYS  29          HB1       CYS  29  -3.498   1.164  -3.732
  213    H    LYS  30           HN       LYS  30  -2.767   3.485  -0.410
  214    HA   LYS  30           HA       LYS  30  -0.710   4.615  -2.154
  215   1HB   LYS  30          HB2       LYS  30  -2.510   6.318  -1.510
  216   2HB   LYS  30          HB1       LYS  30  -1.772   6.244   0.065
  217   1HG   LYS  30          HG2       LYS  30   0.215   7.173  -0.651
  218   2HG   LYS  30          HG1       LYS  30  -0.120   6.816  -2.343
  219   1HD   LYS  30          HD2       LYS  30  -0.352   9.189  -1.959
  220   2HD   LYS  30          HD1       LYS  30  -1.931   8.492  -2.301
  221   1HE   LYS  30          HE2       LYS  30  -0.963   8.934   0.505
  222   2HE   LYS  30          HE1       LYS  30  -1.756  10.209  -0.408
  223   1HZ   LYS  30          HZ1       LYS  30  -2.889   7.628   0.494
  224   2HZ   LYS  30          HZ2       LYS  30  -3.621   8.538  -0.732
  225   3HZ   LYS  30          HZ3       LYS  30  -3.448   9.197   0.810
  226    H    CYS  31           HN       CYS  31   1.175   4.216  -1.438
  227    HA   CYS  31           HA       CYS  31   1.496   2.608   0.878
  228   1HB   CYS  31          HB2       CYS  31   3.613   3.676  -0.964
  229   2HB   CYS  31          HB1       CYS  31   3.693   2.275   0.053
  230    H    ASN  32           HN       ASN  32   3.368   2.985   2.315
  231    HA   ASN  32           HA       ASN  32   3.520   5.813   3.096
  232   1HB   ASN  32          HB2       ASN  32   2.730   4.214   4.840
  233   2HB   ASN  32          HB1       ASN  32   4.261   3.357   4.714
  234   1HD2  ASN  32          1HD2      ASN  32   4.727   3.736   6.883
  235   2HD2  ASN  32          2HD2      ASN  32   5.215   5.298   7.458
  236    H    ARG  33           HN       ARG  33   4.907   5.791   1.096
  237    HA   ARG  33           HA       ARG  33   7.406   4.548   0.967
  238   1HB   ARG  33          HB2       ARG  33   5.997   6.035  -0.736
  239   2HB   ARG  33          HB1       ARG  33   7.081   7.289  -0.163
  240   1HG   ARG  33          HG2       ARG  33   7.929   4.677  -1.395
  241   2HG   ARG  33          HG1       ARG  33   7.877   6.234  -2.218
  242   1HD   ARG  33          HD2       ARG  33   9.600   5.526   0.148
  243   2HD   ARG  33          HD1       ARG  33  10.143   5.675  -1.517
  244    HE   ARG  33           HE       ARG  33   9.080   8.095  -1.072
  245   1HH1  ARG  33          1HH1      ARG  33  11.289   6.154   0.808
  246   2HH1  ARG  33          2HH1      ARG  33  12.114   7.524   1.497
  247   1HH2  ARG  33          1HH2      ARG  33  10.164   9.907  -0.185
  248   2HH2  ARG  33          2HH2      ARG  33  11.489   9.658   0.914
  249    H    CYS  34           HN       CYS  34   8.731   4.648   2.689
  250    HA   CYS  34           HA       CYS  34  10.078   7.103   3.260
  251   1HB   CYS  34          HB2       CYS  34   7.974   7.199   4.684
  252   2HB   CYS  34          HB1       CYS  34   8.590   5.795   5.549
  253    HG   CYS  34           HG       CYS  34  10.003   7.109   7.220
  Start of MODEL    3
    1   1H    ALA   1           HT1      ALA   1  -2.605  -2.215  -8.790
    2   2H    ALA   1           HT2      ALA   1  -1.272  -1.176  -8.665
    3   3H    ALA   1           HT3      ALA   1  -2.844  -0.540  -8.751
    4    HA   ALA   1           HA       ALA   1  -1.776  -2.203  -6.552
    5   1HB   ALA   1          HB1       ALA   1  -0.767   0.001  -6.565
    6   2HB   ALA   1          HB2       ALA   1  -1.899  -0.142  -5.219
    7   3HB   ALA   1          HB3       ALA   1  -2.357   0.746  -6.670
    8    H    SER   2           HN       SER   2  -3.726  -3.506  -7.016
    9    HA   SER   2           HA       SER   2  -6.289  -2.323  -6.446
   10   1HB   SER   2          HB2       SER   2  -6.985  -4.807  -6.509
   11   2HB   SER   2          HB1       SER   2  -6.380  -4.096  -8.005
   12    HG   SER   2           HG       SER   2  -5.102  -5.889  -6.235
   13    H    CYS   3           HN       CYS   3  -7.020  -1.983  -4.456
   14    HA   CYS   3           HA       CYS   3  -5.838  -3.552  -2.280
   15   1HB   CYS   3          HB2       CYS   3  -4.685  -1.473  -2.281
   16   2HB   CYS   3          HB1       CYS   3  -6.190  -0.579  -2.379
   17    H    ARG   4           HN       ARG   4  -6.919  -3.683  -0.430
   18    HA   ARG   4           HA       ARG   4  -9.721  -2.858  -0.289
   19   1HB   ARG   4          HB2       ARG   4  -8.372  -5.452   0.367
   20   2HB   ARG   4          HB1       ARG   4  -9.846  -4.985   1.173
   21   1HG   ARG   4          HG2       ARG   4 -11.118  -5.190  -0.738
   22   2HG   ARG   4          HG1       ARG   4  -9.719  -4.979  -1.794
   23   1HD   ARG   4          HD2       ARG   4 -10.229  -7.378  -0.047
   24   2HD   ARG   4          HD1       ARG   4 -10.554  -7.297  -1.774
   25    HE   ARG   4           HE       ARG   4  -7.836  -6.634  -1.097
   26   1HH1  ARG   4          1HH1      ARG   4 -10.045  -9.284  -1.709
   27   2HH1  ARG   4          2HH1      ARG   4  -8.796 -10.356  -2.276
   28   1HH2  ARG   4          1HH2      ARG   4  -6.196  -8.050  -1.802
   29   2HH2  ARG   4          2HH2      ARG   4  -6.617  -9.663  -2.313
   30    H    THR   5           HN       THR   5  -6.633  -3.226   1.147
   31    HA   THR   5           HA       THR   5  -7.294  -1.743   3.509
   32    HB   THR   5           HB       THR   5  -6.183  -3.584   4.951
   33    HG1  THR   5           HG1      THR   5  -7.255  -5.609   3.535
   34   1HG2  THR   5          1HG2      THR   5  -8.981  -4.023   3.894
   35   2HG2  THR   5          2HG2      THR   5  -8.527  -2.938   5.210
   36   3HG2  THR   5          3HG2      THR   5  -8.333  -4.682   5.396
   37    HA   PRO   6           HA       PRO   6  -3.152  -0.238   3.233
   38   1HB   PRO   6          HB2       PRO   6  -2.637  -1.308   5.971
   39   2HB   PRO   6          HB1       PRO   6  -2.369   0.298   5.322
   40   1HG   PRO   6          HG2       PRO   6  -4.421  -0.146   6.906
   41   2HG   PRO   6          HG1       PRO   6  -4.589   0.901   5.483
   42   1HD   PRO   6          HD2       PRO   6  -5.475  -1.905   5.875
   43   2HD   PRO   6          HD1       PRO   6  -6.275  -0.581   5.015
   44    H    LYS   7           HN       LYS   7  -3.186  -3.331   4.995
   45    HA   LYS   7           HA       LYS   7  -0.635  -4.157   4.172
   46   1HB   LYS   7          HB2       LYS   7  -1.629  -5.026   6.174
   47   2HB   LYS   7          HB1       LYS   7  -3.020  -5.628   5.284
   48   1HG   LYS   7          HG2       LYS   7  -1.620  -7.272   4.177
   49   2HG   LYS   7          HG1       LYS   7  -0.202  -6.648   5.029
   50   1HD   LYS   7          HD2       LYS   7  -0.999  -7.384   7.111
   51   2HD   LYS   7          HD1       LYS   7  -2.636  -7.620   6.492
   52   1HE   LYS   7          HE2       LYS   7  -0.235  -9.194   5.596
   53   2HE   LYS   7          HE1       LYS   7  -1.361  -9.724   6.846
   54   1HZ   LYS   7          HZ1       LYS   7  -1.994 -10.719   4.785
   55   2HZ   LYS   7          HZ2       LYS   7  -1.983  -9.228   3.982
   56   3HZ   LYS   7          HZ3       LYS   7  -3.153  -9.542   5.167
   57    H    ASP   8           HN       ASP   8  -3.606  -4.036   2.484
   58    HA   ASP   8           HA       ASP   8  -3.101  -6.357   0.828
   59   1HB   ASP   8          HB2       ASP   8  -5.398  -5.358   1.377
   60   2HB   ASP   8          HB1       ASP   8  -5.017  -4.109   0.200
   61    H    CYS   9           HN       CYS   9  -1.904  -3.214   0.981
   62    HA   CYS   9           HA       CYS   9  -0.976  -3.305  -1.786
   63   1HB   CYS   9          HB2       CYS   9  -0.726  -1.064   0.214
   64   2HB   CYS   9          HB1       CYS   9  -0.307  -1.003  -1.472
   65    H    ALA  10           HN       ALA  10   0.002  -4.791   0.767
   66    HA   ALA  10           HA       ALA  10   2.538  -3.721   1.361
   67   1HB   ALA  10          HB1       ALA  10   3.001  -5.836   2.477
   68   2HB   ALA  10          HB2       ALA  10   1.590  -6.565   1.708
   69   3HB   ALA  10          HB3       ALA  10   1.383  -5.257   2.880
   70    H    ASP  11           HN       ASP  11   1.407  -5.766  -1.185
   71    HA   ASP  11           HA       ASP  11   4.071  -6.580  -1.956
   72   1HB   ASP  11          HB2       ASP  11   2.063  -8.038  -2.342
   73   2HB   ASP  11          HB1       ASP  11   1.527  -6.894  -3.556
   74    HA   PRO  12           HA       PRO  12   3.020  -3.273  -5.445
   75   1HB   PRO  12          HB2       PRO  12   1.199  -1.572  -3.834
   76   2HB   PRO  12          HB1       PRO  12   1.153  -1.957  -5.556
   77   1HG   PRO  12          HG2       PRO  12  -0.571  -3.048  -3.842
   78   2HG   PRO  12          HG1       PRO  12   0.065  -3.951  -5.227
   79   1HD   PRO  12          HD2       PRO  12   0.777  -4.152  -2.339
   80   2HD   PRO  12          HD1       PRO  12   0.693  -5.407  -3.573
   81    H    CYS  13           HN       CYS  13   2.866  -2.384  -1.993
   82    HA   CYS  13           HA       CYS  13   4.579  -0.091  -2.370
   83   1HB   CYS  13          HB2       CYS  13   2.966  -0.366  -0.498
   84   2HB   CYS  13          HB1       CYS  13   4.027  -1.588   0.188
   85    H    ARG  14           HN       ARG  14   5.095  -3.421  -1.353
   86    HA   ARG  14           HA       ARG  14   7.861  -3.269  -0.983
   87   1HB   ARG  14          HB2       ARG  14   6.740  -5.299  -0.399
   88   2HB   ARG  14          HB1       ARG  14   6.128  -5.503  -2.032
   89   1HG   ARG  14          HG2       ARG  14   8.414  -5.898  -2.829
   90   2HG   ARG  14          HG1       ARG  14   9.008  -5.719  -1.175
   91   1HD   ARG  14          HD2       ARG  14   7.007  -7.785  -2.081
   92   2HD   ARG  14          HD1       ARG  14   8.730  -8.079  -1.855
   93    HE   ARG  14           HE       ARG  14   8.186  -7.226   0.531
   94   1HH1  ARG  14          1HH1      ARG  14   6.146  -9.246  -1.471
   95   2HH1  ARG  14          2HH1      ARG  14   5.420 -10.064  -0.132
   96   1HH2  ARG  14          1HH2      ARG  14   7.222  -8.313   2.303
   97   2HH2  ARG  14          2HH2      ARG  14   6.022  -9.539   2.004
   98    H    LYS  15           HN       LYS  15   5.958  -3.297  -3.887
   99    HA   LYS  15           HA       LYS  15   8.235  -3.663  -5.628
  100   1HB   LYS  15          HB2       LYS  15   5.598  -4.152  -5.881
  101   2HB   LYS  15          HB1       LYS  15   5.676  -2.564  -6.630
  102   1HG   LYS  15          HG2       LYS  15   6.506  -3.425  -8.508
  103   2HG   LYS  15          HG1       LYS  15   7.768  -4.290  -7.624
  104   1HD   LYS  15          HD2       LYS  15   4.911  -5.230  -7.871
  105   2HD   LYS  15          HD1       LYS  15   6.230  -5.784  -8.903
  106   1HE   LYS  15          HE2       LYS  15   7.372  -6.761  -7.048
  107   2HE   LYS  15          HE1       LYS  15   6.272  -5.999  -5.900
  108   1HZ   LYS  15          HZ1       LYS  15   5.930  -8.445  -6.424
  109   2HZ   LYS  15          HZ2       LYS  15   5.295  -7.940  -7.914
  110   3HZ   LYS  15          HZ3       LYS  15   4.558  -7.451  -6.464
  111    H    GLU  16           HN       GLU  16   6.256  -1.086  -4.405
  112    HA   GLU  16           HA       GLU  16   7.209   0.992  -6.028
  113   1HB   GLU  16          HB2       GLU  16   5.469   0.580  -3.701
  114   2HB   GLU  16          HB1       GLU  16   6.190   2.159  -3.821
  115   1HG   GLU  16          HG2       GLU  16   4.645   0.865  -6.038
  116   2HG   GLU  16          HG1       GLU  16   3.927   1.948  -4.844
  117    H    THR  17           HN       THR  17   7.758   0.273  -2.568
  118    HA   THR  17           HA       THR  17  10.149   1.995  -2.756
  119    HB   THR  17           HB       THR  17   8.266   3.028  -1.460
  120    HG1  THR  17           HG1      THR  17  10.277   3.772  -0.923
  121   1HG2  THR  17          1HG2      THR  17   7.388   0.956  -0.455
  122   2HG2  THR  17          2HG2      THR  17   7.741   2.189   0.746
  123   3HG2  THR  17          3HG2      THR  17   8.849   0.837   0.521
  124    H    GLY  18           HN       GLY  18   8.937  -1.052  -2.067
  125   1HA   GLY  18          HA2       GLY  18  10.280  -2.931  -1.742
  126   2HA   GLY  18          HA1       GLY  18  11.564  -1.906  -1.120
  127    H    CYS  19           HN       CYS  19   8.751  -0.967   0.312
  128    HA   CYS  19           HA       CYS  19   9.229  -2.676   2.643
  129   1HB   CYS  19          HB2       CYS  19   8.145   0.135   2.477
  130   2HB   CYS  19          HB1       CYS  19   8.322  -0.792   3.953
  131    HG   CYS  19           HG       CYS  19  10.662   0.828   2.158
  132    HA   PRO  20           HA       PRO  20   5.071  -4.030   1.854
  133   1HB   PRO  20          HB2       PRO  20   4.756  -5.670   3.952
  134   2HB   PRO  20          HB1       PRO  20   5.885  -6.046   2.645
  135   1HG   PRO  20          HG2       PRO  20   6.435  -4.942   5.366
  136   2HG   PRO  20          HG1       PRO  20   7.351  -6.142   4.438
  137   1HD   PRO  20          HD2       PRO  20   7.999  -3.458   4.631
  138   2HD   PRO  20          HD1       PRO  20   8.539  -4.543   3.336
  139    H    TYR  21           HN       TYR  21   5.143  -1.435   2.943
  140    HA   TYR  21           HA       TYR  21   3.089  -1.527   5.046
  141   1HB   TYR  21          HB2       TYR  21   5.033   0.680   4.372
  142   2HB   TYR  21          HB1       TYR  21   3.848   0.706   5.660
  143    HD1  TYR  21           HD1      TYR  21   4.055  -1.426   7.311
  144    HD2  TYR  21           HD2      TYR  21   7.202   0.225   4.977
  145    HE1  TYR  21           HE1      TYR  21   5.706  -2.411   8.846
  146    HE2  TYR  21           HE2      TYR  21   8.858  -0.749   6.500
  147    HH   TYR  21           HH       TYR  21   8.094  -3.119   8.782
  148    H    GLY  22           HN       GLY  22   1.876   0.763   4.916
  149   1HA   GLY  22          HA2       GLY  22   1.508   2.395   2.890
  150   2HA   GLY  22          HA1       GLY  22   0.836   0.931   2.202
  151    H    LYS  23           HN       LYS  23  -0.944   2.642   2.117
  152    HA   LYS  23           HA       LYS  23  -2.807   1.976   4.244
  153   1HB   LYS  23          HB2       LYS  23  -1.583   4.266   4.652
  154   2HB   LYS  23          HB1       LYS  23  -2.649   4.835   3.377
  155   1HG   LYS  23          HG2       LYS  23  -4.595   4.276   4.647
  156   2HG   LYS  23          HG1       LYS  23  -3.618   3.494   5.888
  157   1HD   LYS  23          HD2       LYS  23  -3.552   6.431   5.186
  158   2HD   LYS  23          HD1       LYS  23  -4.371   5.725   6.581
  159   1HE   LYS  23          HE2       LYS  23  -2.471   6.094   7.689
  160   2HE   LYS  23          HE1       LYS  23  -1.828   4.717   6.800
  161   1HZ   LYS  23          HZ1       LYS  23  -0.330   6.557   6.596
  162   2HZ   LYS  23          HZ2       LYS  23  -1.573   7.584   6.068
  163   3HZ   LYS  23          HZ3       LYS  23  -1.058   6.305   5.080
  164    H    CYS  24           HN       CYS  24  -5.029   2.374   3.545
  165    HA   CYS  24           HA       CYS  24  -5.172   2.302   0.601
  166   1HB   CYS  24          HB2       CYS  24  -5.667   0.205   2.101
  167   2HB   CYS  24          HB1       CYS  24  -7.202   1.005   2.408
  168    H    MET  25           HN       MET  25  -6.632   3.692  -0.390
  169    HA   MET  25           HA       MET  25  -8.053   5.543   1.372
  170   1HB   MET  25          HB2       MET  25  -6.707   6.279  -0.647
  171   2HB   MET  25          HB1       MET  25  -7.985   5.572  -1.615
  172   1HG   MET  25          HG2       MET  25  -9.591   7.125  -0.733
  173   2HG   MET  25          HG1       MET  25  -8.397   7.774   0.382
  174   1HE   MET  25          HE1       MET  25 -10.139   9.607  -1.522
  175   2HE   MET  25          HE2       MET  25  -8.924  10.730  -2.136
  176   3HE   MET  25          HE3       MET  25  -8.910  10.259  -0.434
  177    H    ASN  26           HN       ASN  26 -10.362   6.117   0.524
  178    HA   ASN  26           HA       ASN  26 -12.213   4.379   1.180
  179   1HB   ASN  26          HB2       ASN  26 -12.400   6.165  -1.219
  180   2HB   ASN  26          HB1       ASN  26 -13.782   5.339  -0.518
  181   1HD2  ASN  26          1HD2      ASN  26 -14.860   7.179   0.018
  182   2HD2  ASN  26          2HD2      ASN  26 -14.339   8.247   1.281
  183    H    ARG  27           HN       ARG  27 -11.244   4.523  -2.223
  184    HA   ARG  27           HA       ARG  27 -11.228   1.610  -2.260
  185   1HB   ARG  27          HB2       ARG  27 -12.835   3.322  -4.122
  186   2HB   ARG  27          HB1       ARG  27 -12.248   1.746  -4.630
  187   1HG   ARG  27          HG2       ARG  27 -14.088   2.329  -2.319
  188   2HG   ARG  27          HG1       ARG  27 -14.514   1.549  -3.845
  189   1HD   ARG  27          HD2       ARG  27 -12.555   0.470  -1.811
  190   2HD   ARG  27          HD1       ARG  27 -14.219  -0.074  -2.009
  191    HE   ARG  27           HE       ARG  27 -13.288  -0.480  -4.458
  192   1HH1  ARG  27          1HH1      ARG  27 -11.714  -1.136  -1.393
  193   2HH1  ARG  27          2HH1      ARG  27 -10.912  -2.561  -1.969
  194   1HH2  ARG  27          1HH2      ARG  27 -12.226  -2.365  -5.214
  195   2HH2  ARG  27          2HH2      ARG  27 -11.227  -3.283  -4.124
  196    H    LYS  28           HN       LYS  28  -9.112   3.267  -1.982
  197    HA   LYS  28           HA       LYS  28  -7.715   2.955  -4.543
  198   1HB   LYS  28          HB2       LYS  28  -8.399   5.352  -4.139
  199   2HB   LYS  28          HB1       LYS  28  -7.370   5.329  -2.731
  200   1HG   LYS  28          HG2       LYS  28  -6.201   6.393  -4.515
  201   2HG   LYS  28          HG1       LYS  28  -5.442   4.833  -4.197
  202   1HD   LYS  28          HD2       LYS  28  -5.559   4.942  -6.525
  203   2HD   LYS  28          HD1       LYS  28  -6.940   3.942  -6.072
  204   1HE   LYS  28          HE2       LYS  28  -7.567   5.560  -7.775
  205   2HE   LYS  28          HE1       LYS  28  -8.409   5.889  -6.260
  206   1HZ   LYS  28          HZ1       LYS  28  -7.322   7.823  -7.562
  207   2HZ   LYS  28          HZ2       LYS  28  -5.877   7.273  -6.858
  208   3HZ   LYS  28          HZ3       LYS  28  -7.170   7.770  -5.873
  209    H    CYS  29           HN       CYS  29  -5.314   3.256  -4.088
  210    HA   CYS  29           HA       CYS  29  -4.589   2.097  -1.513
  211   1HB   CYS  29          HB2       CYS  29  -4.510   0.260  -2.942
  212   2HB   CYS  29          HB1       CYS  29  -3.807   1.170  -4.261
  213    H    LYS  30           HN       LYS  30  -2.848   2.879  -0.592
  214    HA   LYS  30           HA       LYS  30  -0.927   4.376  -2.235
  215   1HB   LYS  30          HB2       LYS  30  -2.556   5.814  -0.860
  216   2HB   LYS  30          HB1       LYS  30  -1.640   5.250   0.517
  217   1HG   LYS  30          HG2       LYS  30   0.355   6.261  -0.279
  218   2HG   LYS  30          HG1       LYS  30  -0.411   6.674  -1.813
  219   1HD   LYS  30          HD2       LYS  30  -1.264   7.712   0.879
  220   2HD   LYS  30          HD1       LYS  30  -0.265   8.602  -0.267
  221   1HE   LYS  30          HE2       LYS  30  -2.019   9.101  -1.590
  222   2HE   LYS  30          HE1       LYS  30  -2.761   7.516  -1.370
  223   1HZ   LYS  30          HZ1       LYS  30  -4.057   9.387  -0.426
  224   2HZ   LYS  30          HZ2       LYS  30  -2.801   9.656   0.680
  225   3HZ   LYS  30          HZ3       LYS  30  -3.659   8.194   0.701
  226    H    CYS  31           HN       CYS  31   1.183   4.191  -1.606
  227    HA   CYS  31           HA       CYS  31   1.725   2.241   0.492
  228   1HB   CYS  31          HB2       CYS  31   2.639   1.233  -1.286
  229   2HB   CYS  31          HB1       CYS  31   2.881   2.712  -2.174
  230    H    ASN  32           HN       ASN  32   3.626   2.524   1.733
  231    HA   ASN  32           HA       ASN  32   4.054   5.302   2.457
  232   1HB   ASN  32          HB2       ASN  32   3.768   3.531   4.201
  233   2HB   ASN  32          HB1       ASN  32   5.278   2.800   3.660
  234   1HD2  ASN  32          1HD2      ASN  32   6.205   3.066   5.692
  235   2HD2  ASN  32          2HD2      ASN  32   6.740   4.610   6.255
  236    H    ARG  33           HN       ARG  33   4.869   5.221   0.067
  237    HA   ARG  33           HA       ARG  33   7.570   4.373  -0.336
  238   1HB   ARG  33          HB2       ARG  33   5.732   4.688  -2.110
  239   2HB   ARG  33          HB1       ARG  33   6.110   6.404  -2.019
  240   1HG   ARG  33          HG2       ARG  33   8.425   5.926  -2.650
  241   2HG   ARG  33          HG1       ARG  33   8.038   4.209  -2.750
  242   1HD   ARG  33          HD2       ARG  33   7.919   4.931  -4.961
  243   2HD   ARG  33          HD1       ARG  33   6.237   4.915  -4.436
  244    HE   ARG  33           HE       ARG  33   7.481   7.472  -4.078
  245   1HH1  ARG  33          1HH1      ARG  33   5.726   5.409  -6.292
  246   2HH1  ARG  33          2HH1      ARG  33   5.357   6.702  -7.399
  247   1HH2  ARG  33          1HH2      ARG  33   7.010   9.174  -5.541
  248   2HH2  ARG  33          2HH2      ARG  33   6.112   8.823  -6.998
  249    H    CYS  34           HN       CYS  34   9.143   5.290   0.730
  250    HA   CYS  34           HA       CYS  34   9.002   8.005   1.660
  251   1HB   CYS  34          HB2       CYS  34  11.310   6.061   1.797
  252   2HB   CYS  34          HB1       CYS  34  11.108   7.522   2.758
  253    HG   CYS  34           HG       CYS  34   8.625   5.252   3.009
  Start of MODEL    4
    1   1H    ALA   1           HT1      ALA   1  -3.149   0.000  -7.671
    2   2H    ALA   1           HT2      ALA   1  -3.420  -0.952  -9.042
    3   3H    ALA   1           HT3      ALA   1  -1.871  -0.879  -8.352
    4    HA   ALA   1           HA       ALA   1  -2.982  -2.942  -7.812
    5   1HB   ALA   1          HB1       ALA   1  -2.624  -1.100  -5.451
    6   2HB   ALA   1          HB2       ALA   1  -1.348  -2.016  -6.254
    7   3HB   ALA   1          HB3       ALA   1  -2.636  -2.863  -5.396
    8    H    SER   2           HN       SER   2  -4.793  -4.018  -7.241
    9    HA   SER   2           HA       SER   2  -7.240  -2.487  -6.911
   10   1HB   SER   2          HB2       SER   2  -6.889  -5.490  -7.040
   11   2HB   SER   2          HB1       SER   2  -8.375  -4.579  -7.299
   12    HG   SER   2           HG       SER   2  -7.166  -3.554  -9.101
   13    H    CYS   3           HN       CYS   3  -6.444  -1.723  -4.748
   14    HA   CYS   3           HA       CYS   3  -5.971  -3.694  -2.718
   15   1HB   CYS   3          HB2       CYS   3  -4.683  -1.708  -2.610
   16   2HB   CYS   3          HB1       CYS   3  -6.118  -0.704  -2.604
   17    H    ARG   4           HN       ARG   4  -7.000  -3.945  -0.858
   18    HA   ARG   4           HA       ARG   4  -9.746  -2.980  -0.611
   19   1HB   ARG   4          HB2       ARG   4  -8.565  -5.682  -0.233
   20   2HB   ARG   4          HB1       ARG   4  -9.824  -5.187   0.869
   21   1HG   ARG   4          HG2       ARG   4 -10.896  -6.390  -0.834
   22   2HG   ARG   4          HG1       ARG   4 -11.241  -4.694  -1.155
   23   1HD   ARG   4          HD2       ARG   4  -9.401  -4.668  -2.804
   24   2HD   ARG   4          HD1       ARG   4  -9.152  -6.389  -2.514
   25    HE   ARG   4           HE       ARG   4 -11.840  -5.689  -3.281
   26   1HH1  ARG   4          1HH1      ARG   4  -8.655  -6.619  -4.439
   27   2HH1  ARG   4          2HH1      ARG   4  -9.250  -7.204  -5.963
   28   1HH2  ARG   4          1HH2      ARG   4 -12.607  -6.445  -5.285
   29   2HH2  ARG   4          2HH2      ARG   4 -11.495  -7.123  -6.438
   30    H    THR   5           HN       THR   5  -6.661  -3.495   0.780
   31    HA   THR   5           HA       THR   5  -7.226  -2.047   3.178
   32    HB   THR   5           HB       THR   5  -6.307  -4.009   4.599
   33    HG1  THR   5           HG1      THR   5  -7.565  -5.889   3.147
   34   1HG2  THR   5          1HG2      THR   5  -8.557  -4.907   5.003
   35   2HG2  THR   5          2HG2      THR   5  -9.123  -4.134   3.522
   36   3HG2  THR   5          3HG2      THR   5  -8.566  -3.147   4.875
   37    HA   PRO   6           HA       PRO   6  -2.884  -1.079   2.978
   38   1HB   PRO   6          HB2       PRO   6  -2.568  -2.046   5.777
   39   2HB   PRO   6          HB1       PRO   6  -2.161  -0.490   5.072
   40   1HG   PRO   6          HG2       PRO   6  -4.275  -0.725   6.634
   41   2HG   PRO   6          HG1       PRO   6  -4.316   0.298   5.189
   42   1HD   PRO   6          HD2       PRO   6  -5.438  -2.423   5.598
   43   2HD   PRO   6          HD1       PRO   6  -6.124  -1.043   4.725
   44    H    LYS   7           HN       LYS   7  -3.646  -4.103   4.618
   45    HA   LYS   7           HA       LYS   7  -1.243  -5.454   4.242
   46   1HB   LYS   7          HB2       LYS   7  -4.083  -6.434   4.467
   47   2HB   LYS   7          HB1       LYS   7  -2.723  -7.533   4.317
   48   1HG   LYS   7          HG2       LYS   7  -1.772  -6.665   6.382
   49   2HG   LYS   7          HG1       LYS   7  -3.122  -5.537   6.534
   50   1HD   LYS   7          HD2       LYS   7  -4.686  -7.306   6.820
   51   2HD   LYS   7          HD1       LYS   7  -3.494  -8.521   6.346
   52   1HE   LYS   7          HE2       LYS   7  -3.326  -6.802   8.819
   53   2HE   LYS   7          HE1       LYS   7  -3.903  -8.468   8.782
   54   1HZ   LYS   7          HZ1       LYS   7  -1.617  -8.436   9.456
   55   2HZ   LYS   7          HZ2       LYS   7  -1.173  -7.518   8.104
   56   3HZ   LYS   7          HZ3       LYS   7  -1.704  -9.115   7.900
   57    H    ASP   8           HN       ASP   8  -3.735  -4.614   1.986
   58    HA   ASP   8           HA       ASP   8  -3.255  -6.868   0.256
   59   1HB   ASP   8          HB2       ASP   8  -5.462  -5.645   0.469
   60   2HB   ASP   8          HB1       ASP   8  -4.737  -4.350  -0.468
   61    H    CYS   9           HN       CYS   9  -2.003  -3.634   0.497
   62    HA   CYS   9           HA       CYS   9  -0.711  -3.909  -2.102
   63   1HB   CYS   9          HB2       CYS   9  -0.806  -1.517  -0.277
   64   2HB   CYS   9          HB1       CYS   9  -0.178  -1.557  -1.907
   65    H    ALA  10           HN       ALA  10   0.012  -4.813   0.937
   66    HA   ALA  10           HA       ALA  10   2.462  -3.550   1.460
   67   1HB   ALA  10          HB1       ALA  10   1.619  -6.314   2.350
   68   2HB   ALA  10          HB2       ALA  10   1.159  -4.809   3.150
   69   3HB   ALA  10          HB3       ALA  10   2.853  -5.299   3.094
   70    H    ASP  11           HN       ASP  11   1.703  -6.375  -0.479
   71    HA   ASP  11           HA       ASP  11   4.466  -7.049  -0.853
   72   1HB   ASP  11          HB2       ASP  11   2.621  -8.730  -1.091
   73   2HB   ASP  11          HB1       ASP  11   2.126  -7.912  -2.568
   74    HA   PRO  12           HA       PRO  12   3.638  -4.879  -5.201
   75   1HB   PRO  12          HB2       PRO  12   1.656  -2.912  -4.785
   76   2HB   PRO  12          HB1       PRO  12   1.553  -4.328  -5.828
   77   1HG   PRO  12          HG2       PRO  12   0.489  -3.903  -3.102
   78   2HG   PRO  12          HG1       PRO  12  -0.099  -4.955  -4.397
   79   1HD   PRO  12          HD2       PRO  12   1.167  -5.928  -2.225
   80   2HD   PRO  12          HD1       PRO  12   1.309  -6.679  -3.827
   81    H    CYS  13           HN       CYS  13   2.908  -2.972  -2.221
   82    HA   CYS  13           HA       CYS  13   4.362  -0.741  -3.178
   83   1HB   CYS  13          HB2       CYS  13   3.509  -1.554  -0.399
   84   2HB   CYS  13          HB1       CYS  13   4.229  -0.011  -0.803
   85    H    ARG  14           HN       ARG  14   5.255  -3.578  -1.363
   86    HA   ARG  14           HA       ARG  14   7.891  -2.755  -0.766
   87   1HB   ARG  14          HB2       ARG  14   6.822  -4.669   0.354
   88   2HB   ARG  14          HB1       ARG  14   6.793  -5.548  -1.163
   89   1HG   ARG  14          HG2       ARG  14   9.410  -5.068  -1.027
   90   2HG   ARG  14          HG1       ARG  14   9.037  -5.035   0.689
   91   1HD   ARG  14          HD2       ARG  14   8.443  -7.278  -1.232
   92   2HD   ARG  14          HD1       ARG  14   9.679  -7.275   0.019
   93    HE   ARG  14           HE       ARG  14   7.766  -7.112   1.627
   94   1HH1  ARG  14          1HH1      ARG  14   7.375  -8.569  -1.524
   95   2HH1  ARG  14          2HH1      ARG  14   6.002  -9.522  -1.058
   96   1HH2  ARG  14          1HH2      ARG  14   6.006  -8.398   2.261
   97   2HH2  ARG  14          2HH2      ARG  14   5.225  -9.436   1.099
   98    H    LYS  15           HN       LYS  15   6.378  -3.769  -3.669
   99    HA   LYS  15           HA       LYS  15   8.916  -4.587  -4.876
  100   1HB   LYS  15          HB2       LYS  15   6.727  -5.890  -5.137
  101   2HB   LYS  15          HB1       LYS  15   6.188  -4.558  -6.149
  102   1HG   LYS  15          HG2       LYS  15   8.079  -4.980  -7.666
  103   2HG   LYS  15          HG1       LYS  15   8.553  -6.347  -6.659
  104   1HD   LYS  15          HD2       LYS  15   5.957  -6.060  -8.178
  105   2HD   LYS  15          HD1       LYS  15   7.302  -7.114  -8.607
  106   1HE   LYS  15          HE2       LYS  15   5.922  -8.615  -7.549
  107   2HE   LYS  15          HE1       LYS  15   6.898  -8.070  -6.189
  108   1HZ   LYS  15          HZ1       LYS  15   4.135  -7.250  -6.882
  109   2HZ   LYS  15          HZ2       LYS  15   5.081  -6.405  -5.767
  110   3HZ   LYS  15          HZ3       LYS  15   4.666  -8.020  -5.464
  111    H    GLU  16           HN       GLU  16   6.482  -2.164  -4.887
  112    HA   GLU  16           HA       GLU  16   7.482  -0.830  -7.266
  113   1HB   GLU  16          HB2       GLU  16   5.093  -1.067  -6.977
  114   2HB   GLU  16          HB1       GLU  16   5.176  -0.284  -5.401
  115   1HG   GLU  16          HG2       GLU  16   5.856   1.796  -6.490
  116   2HG   GLU  16          HG1       GLU  16   5.788   0.998  -8.060
  117    H    THR  17           HN       THR  17   7.303  -0.293  -3.775
  118    HA   THR  17           HA       THR  17   8.730   2.246  -4.181
  119    HB   THR  17           HB       THR  17   6.923   1.559  -1.854
  120    HG1  THR  17           HG1      THR  17   6.275   2.197  -4.368
  121   1HG2  THR  17          1HG2      THR  17   8.071   4.194  -2.795
  122   2HG2  THR  17          2HG2      THR  17   8.602   3.285  -1.378
  123   3HG2  THR  17          3HG2      THR  17   6.980   3.971  -1.429
  124    H    GLY  18           HN       GLY  18   8.646  -0.793  -2.592
  125   1HA   GLY  18          HA2       GLY  18  10.492  -1.872  -1.673
  126   2HA   GLY  18          HA1       GLY  18  11.317  -0.324  -1.542
  127    H    CYS  19           HN       CYS  19   8.070  -0.662  -0.422
  128    HA   CYS  19           HA       CYS  19   8.940  -1.088   2.328
  129   1HB   CYS  19          HB2       CYS  19   8.797   1.376   1.952
  130   2HB   CYS  19          HB1       CYS  19   7.105   1.175   1.529
  131    HG   CYS  19           HG       CYS  19   8.500   0.585   4.596
  132    HA   PRO  20           HA       PRO  20   5.293  -3.632   1.857
  133   1HB   PRO  20          HB2       PRO  20   5.542  -5.007   4.151
  134   2HB   PRO  20          HB1       PRO  20   6.608  -5.296   2.773
  135   1HG   PRO  20          HG2       PRO  20   7.118  -3.737   5.270
  136   2HG   PRO  20          HG1       PRO  20   8.203  -4.829   4.385
  137   1HD   PRO  20          HD2       PRO  20   8.261  -2.080   4.197
  138   2HD   PRO  20          HD1       PRO  20   8.866  -3.185   2.948
  139    H    TYR  21           HN       TYR  21   5.234  -0.877   3.096
  140    HA   TYR  21           HA       TYR  21   2.929  -1.300   4.839
  141   1HB   TYR  21          HB2       TYR  21   5.078   0.790   5.151
  142   2HB   TYR  21          HB1       TYR  21   3.621   0.680   6.107
  143    HD1  TYR  21           HD1      TYR  21   3.268  -1.422   7.514
  144    HD2  TYR  21           HD2      TYR  21   7.008  -0.347   5.796
  145    HE1  TYR  21           HE1      TYR  21   4.419  -2.893   9.110
  146    HE2  TYR  21           HE2      TYR  21   8.167  -1.821   7.384
  147    HH   TYR  21           HH       TYR  21   7.639  -2.740   9.748
  148    H    GLY  22           HN       GLY  22   1.771   0.906   5.074
  149   1HA   GLY  22          HA2       GLY  22   1.690   2.993   3.449
  150   2HA   GLY  22          HA1       GLY  22   1.124   1.721   2.376
  151    H    LYS  23           HN       LYS  23  -0.802   3.038   2.273
  152    HA   LYS  23           HA       LYS  23  -2.697   2.188   4.322
  153   1HB   LYS  23          HB2       LYS  23  -1.685   4.701   4.517
  154   2HB   LYS  23          HB1       LYS  23  -3.018   4.970   3.405
  155   1HG   LYS  23          HG2       LYS  23  -3.777   5.404   5.622
  156   2HG   LYS  23          HG1       LYS  23  -4.550   3.926   5.043
  157   1HD   LYS  23          HD2       LYS  23  -3.811   3.659   7.347
  158   2HD   LYS  23          HD1       LYS  23  -2.897   2.594   6.278
  159   1HE   LYS  23          HE2       LYS  23  -1.032   4.165   6.283
  160   2HE   LYS  23          HE1       LYS  23  -1.950   5.267   7.310
  161   1HZ   LYS  23          HZ1       LYS  23  -1.985   3.560   9.027
  162   2HZ   LYS  23          HZ2       LYS  23  -0.394   3.975   8.611
  163   3HZ   LYS  23          HZ3       LYS  23  -1.068   2.529   8.042
  164    H    CYS  24           HN       CYS  24  -4.795   2.019   3.503
  165    HA   CYS  24           HA       CYS  24  -4.910   2.185   0.567
  166   1HB   CYS  24          HB2       CYS  24  -5.148  -0.066   1.767
  167   2HB   CYS  24          HB1       CYS  24  -6.691   0.523   2.366
  168    H    MET  25           HN       MET  25  -6.592   3.316  -0.383
  169    HA   MET  25           HA       MET  25  -8.089   5.077   1.407
  170   1HB   MET  25          HB2       MET  25  -6.832   5.601  -0.907
  171   2HB   MET  25          HB1       MET  25  -8.441   5.243  -1.503
  172   1HG   MET  25          HG2       MET  25  -8.148   7.623  -1.148
  173   2HG   MET  25          HG1       MET  25  -9.385   6.963  -0.077
  174   1HE   MET  25          HE1       MET  25  -7.670   9.843   2.015
  175   2HE   MET  25          HE2       MET  25  -9.199   9.237   1.378
  176   3HE   MET  25          HE3       MET  25  -7.951   9.817   0.274
  177    H    ASN  26           HN       ASN  26 -10.424   5.531   0.556
  178    HA   ASN  26           HA       ASN  26 -12.070   3.446   1.106
  179   1HB   ASN  26          HB2       ASN  26 -12.522   5.844  -0.613
  180   2HB   ASN  26          HB1       ASN  26 -13.794   4.645  -0.419
  181   1HD2  ASN  26          1HD2      ASN  26 -13.747   7.423   0.416
  182   2HD2  ASN  26          2HD2      ASN  26 -13.996   7.413   2.128
  183    H    ARG  27           HN       ARG  27 -10.894   4.264  -2.120
  184    HA   ARG  27           HA       ARG  27 -11.362   1.489  -2.886
  185   1HB   ARG  27          HB2       ARG  27 -13.332   2.931  -3.582
  186   2HB   ARG  27          HB1       ARG  27 -12.233   3.770  -4.660
  187   1HG   ARG  27          HG2       ARG  27 -13.556   2.093  -5.832
  188   2HG   ARG  27          HG1       ARG  27 -11.835   1.723  -5.895
  189   1HD   ARG  27          HD2       ARG  27 -13.509   0.516  -3.735
  190   2HD   ARG  27          HD1       ARG  27 -13.596  -0.148  -5.366
  191    HE   ARG  27           HE       ARG  27 -11.319  -0.252  -3.551
  192   1HH1  ARG  27          1HH1      ARG  27 -12.642  -0.894  -6.724
  193   2HH1  ARG  27          2HH1      ARG  27 -11.335  -1.938  -7.196
  194   1HH2  ARG  27          1HH2      ARG  27  -9.606  -1.673  -4.164
  195   2HH2  ARG  27          2HH2      ARG  27  -9.632  -2.374  -5.752
  196    H    LYS  28           HN       LYS  28  -9.035   3.194  -2.240
  197    HA   LYS  28           HA       LYS  28  -7.480   2.779  -4.675
  198   1HB   LYS  28          HB2       LYS  28  -7.530   5.334  -3.085
  199   2HB   LYS  28          HB1       LYS  28  -6.376   4.965  -4.345
  200   1HG   LYS  28          HG2       LYS  28  -9.350   5.198  -4.732
  201   2HG   LYS  28          HG1       LYS  28  -8.170   6.452  -5.112
  202   1HD   LYS  28          HD2       LYS  28  -7.200   5.144  -6.833
  203   2HD   LYS  28          HD1       LYS  28  -8.060   3.695  -6.312
  204   1HE   LYS  28          HE2       LYS  28  -9.077   4.627  -8.316
  205   2HE   LYS  28          HE1       LYS  28 -10.183   4.724  -6.950
  206   1HZ   LYS  28          HZ1       LYS  28  -9.629   7.054  -6.689
  207   2HZ   LYS  28          HZ2       LYS  28 -10.181   6.756  -8.264
  208   3HZ   LYS  28          HZ3       LYS  28  -8.523   6.968  -7.975
  209    H    CYS  29           HN       CYS  29  -5.084   3.328  -3.982
  210    HA   CYS  29           HA       CYS  29  -4.573   2.633  -1.208
  211   1HB   CYS  29          HB2       CYS  29  -4.685   0.565  -2.704
  212   2HB   CYS  29          HB1       CYS  29  -3.191   1.153  -3.407
  213    H    LYS  30           HN       LYS  30  -2.692   3.402  -0.424
  214    HA   LYS  30           HA       LYS  30  -0.718   4.469  -2.324
  215   1HB   LYS  30          HB2       LYS  30  -2.184   6.261  -1.263
  216   2HB   LYS  30          HB1       LYS  30  -1.383   5.843   0.232
  217   1HG   LYS  30          HG2       LYS  30   0.784   6.346  -0.812
  218   2HG   LYS  30          HG1       LYS  30  -0.079   6.919  -2.236
  219   1HD   LYS  30          HD2       LYS  30  -0.540   8.879  -1.274
  220   2HD   LYS  30          HD1       LYS  30  -1.098   8.096   0.196
  221   1HE   LYS  30          HE2       LYS  30   1.754   8.705  -0.527
  222   2HE   LYS  30          HE1       LYS  30   0.783   9.540   0.678
  223   1HZ   LYS  30          HZ1       LYS  30   1.622   6.691   0.763
  224   2HZ   LYS  30          HZ2       LYS  30   0.617   7.439   1.903
  225   3HZ   LYS  30          HZ3       LYS  30   2.224   7.944   1.732
  226    H    CYS  31           HN       CYS  31   1.377   4.166  -1.713
  227    HA   CYS  31           HA       CYS  31   1.796   2.302   0.438
  228   1HB   CYS  31          HB2       CYS  31   3.794   3.337  -1.559
  229   2HB   CYS  31          HB1       CYS  31   3.862   1.880  -0.618
  230    H    ASN  32           HN       ASN  32   3.594   2.586   1.923
  231    HA   ASN  32           HA       ASN  32   3.771   5.342   2.827
  232   1HB   ASN  32          HB2       ASN  32   3.325   3.548   4.462
  233   2HB   ASN  32          HB1       ASN  32   4.876   2.813   4.068
  234   1HD2  ASN  32          1HD2      ASN  32   5.646   3.003   6.150
  235   2HD2  ASN  32          2HD2      ASN  32   6.078   4.518   6.858
  236    H    ARG  33           HN       ARG  33   5.032   6.029   0.969
  237    HA   ARG  33           HA       ARG  33   7.732   5.225   0.648
  238   1HB   ARG  33          HB2       ARG  33   6.592   6.429  -1.109
  239   2HB   ARG  33          HB1       ARG  33   6.321   7.803  -0.054
  240   1HG   ARG  33          HG2       ARG  33   8.097   8.220  -1.676
  241   2HG   ARG  33          HG1       ARG  33   8.687   8.298  -0.021
  242   1HD   ARG  33          HD2       ARG  33   8.911   5.702  -1.446
  243   2HD   ARG  33          HD1       ARG  33   9.987   7.004  -1.941
  244    HE   ARG  33           HE       ARG  33  10.189   6.913   0.787
  245   1HH1  ARG  33          1HH1      ARG  33  10.736   4.668  -1.840
  246   2HH1  ARG  33          2HH1      ARG  33  11.977   3.787  -1.004
  247   1HH2  ARG  33          1HH2      ARG  33  11.816   5.761   1.893
  248   2HH2  ARG  33          2HH2      ARG  33  12.559   4.378   1.126
  249    H    CYS  34           HN       CYS  34   8.482   5.075   2.791
  250    HA   CYS  34           HA       CYS  34   9.289   7.675   3.914
  251   1HB   CYS  34          HB2       CYS  34   7.600   6.367   5.303
  252   2HB   CYS  34          HB1       CYS  34   8.853   5.150   5.519
  253    HG   CYS  34           HG       CYS  34   9.255   8.410   6.469
  Start of MODEL    5
    1   1H    ALA   1           HT1      ALA   1  -0.609   1.422  -7.386
    2   2H    ALA   1           HT2      ALA   1  -1.707   0.772  -8.498
    3   3H    ALA   1           HT3      ALA   1  -0.078   0.316  -8.561
    4    HA   ALA   1           HA       ALA   1  -1.246  -1.449  -7.575
    5   1HB   ALA   1          HB1       ALA   1   0.907  -0.930  -6.568
    6   2HB   ALA   1          HB2       ALA   1  -0.211  -1.545  -5.357
    7   3HB   ALA   1          HB3       ALA   1   0.129   0.175  -5.448
    8    H    SER   2           HN       SER   2  -3.126  -2.096  -6.761
    9    HA   SER   2           HA       SER   2  -4.786  -0.070  -5.452
   10   1HB   SER   2          HB2       SER   2  -5.477  -1.187  -7.676
   11   2HB   SER   2          HB1       SER   2  -5.811  -2.613  -6.691
   12    HG   SER   2           HG       SER   2  -7.099  -0.123  -6.746
   13    H    CYS   3           HN       CYS   3  -6.664  -1.567  -4.228
   14    HA   CYS   3           HA       CYS   3  -5.529  -3.591  -2.563
   15   1HB   CYS   3          HB2       CYS   3  -5.764  -2.152  -0.516
   16   2HB   CYS   3          HB1       CYS   3  -4.396  -1.768  -1.544
   17    H    ARG   4           HN       ARG   4  -6.987  -4.335  -0.959
   18    HA   ARG   4           HA       ARG   4  -9.699  -3.218  -1.067
   19   1HB   ARG   4          HB2       ARG   4  -9.166  -5.780  -1.417
   20   2HB   ARG   4          HB1       ARG   4  -9.064  -5.784   0.329
   21   1HG   ARG   4          HG2       ARG   4 -11.345  -4.890   0.457
   22   2HG   ARG   4          HG1       ARG   4 -11.447  -4.930  -1.296
   23   1HD   ARG   4          HD2       ARG   4 -12.479  -6.909  -0.725
   24   2HD   ARG   4          HD1       ARG   4 -10.821  -7.441  -0.999
   25    HE   ARG   4           HE       ARG   4 -11.499  -6.745   1.731
   26   1HH1  ARG   4          1HH1      ARG   4 -11.044  -9.258  -0.645
   27   2HH1  ARG   4          2HH1      ARG   4 -11.040 -10.544   0.514
   28   1HH2  ARG   4          1HH2      ARG   4 -11.524  -8.421   3.270
   29   2HH2  ARG   4          2HH2      ARG   4 -11.330 -10.068   2.755
   30    H    THR   5           HN       THR   5  -6.985  -4.027   0.890
   31    HA   THR   5           HA       THR   5  -7.863  -2.172   2.945
   32    HB   THR   5           HB       THR   5  -6.898  -3.815   4.680
   33    HG1  THR   5           HG1      THR   5  -7.659  -6.032   3.393
   34   1HG2  THR   5          1HG2      THR   5  -9.030  -5.001   4.943
   35   2HG2  THR   5          2HG2      THR   5  -9.501  -4.514   3.314
   36   3HG2  THR   5          3HG2      THR   5  -9.285  -3.294   4.571
   37    HA   PRO   6           HA       PRO   6  -3.623  -0.790   3.022
   38   1HB   PRO   6          HB2       PRO   6  -3.365  -1.509   5.894
   39   2HB   PRO   6          HB1       PRO   6  -3.119   0.029   5.091
   40   1HG   PRO   6          HG2       PRO   6  -5.269  -0.356   6.569
   41   2HG   PRO   6          HG1       PRO   6  -5.366   0.540   5.043
   42   1HD   PRO   6          HD2       PRO   6  -6.125  -2.279   5.624
   43   2HD   PRO   6          HD1       PRO   6  -6.971  -1.065   4.648
   44    H    LYS   7           HN       LYS   7  -3.936  -3.624   5.156
   45    HA   LYS   7           HA       LYS   7  -1.387  -4.666   4.771
   46   1HB   LYS   7          HB2       LYS   7  -2.890  -5.433   6.547
   47   2HB   LYS   7          HB1       LYS   7  -3.970  -6.122   5.347
   48   1HG   LYS   7          HG2       LYS   7  -2.661  -7.868   6.361
   49   2HG   LYS   7          HG1       LYS   7  -2.196  -7.686   4.668
   50   1HD   LYS   7          HD2       LYS   7  -0.271  -6.293   5.412
   51   2HD   LYS   7          HD1       LYS   7  -0.709  -6.654   7.083
   52   1HE   LYS   7          HE2       LYS   7  -0.446  -9.057   6.599
   53   2HE   LYS   7          HE1       LYS   7   0.068  -8.654   4.964
   54   1HZ   LYS   7          HZ1       LYS   7   1.988  -9.036   6.273
   55   2HZ   LYS   7          HZ2       LYS   7   1.456  -8.000   7.498
   56   3HZ   LYS   7          HZ3       LYS   7   1.911  -7.362   5.997
   57    H    ASP   8           HN       ASP   8  -4.188  -4.696   2.738
   58    HA   ASP   8           HA       ASP   8  -3.459  -6.970   1.183
   59   1HB   ASP   8          HB2       ASP   8  -5.787  -6.189   1.367
   60   2HB   ASP   8          HB1       ASP   8  -5.350  -4.719   0.499
   61    H    CYS   9           HN       CYS   9  -2.631  -3.590   1.040
   62    HA   CYS   9           HA       CYS   9  -1.342  -4.049  -1.539
   63   1HB   CYS   9          HB2       CYS   9  -0.873  -1.467  -1.215
   64   2HB   CYS   9          HB1       CYS   9  -2.380  -2.057  -1.881
   65    H    ALA  10           HN       ALA  10  -0.511  -4.438   1.575
   66    HA   ALA  10           HA       ALA  10   1.860  -2.969   1.819
   67   1HB   ALA  10          HB1       ALA  10   2.455  -4.529   3.601
   68   2HB   ALA  10          HB2       ALA  10   1.182  -5.631   3.073
   69   3HB   ALA  10          HB3       ALA  10   0.763  -4.045   3.722
   70    H    ASP  11           HN       ASP  11   1.160  -5.879   0.075
   71    HA   ASP  11           HA       ASP  11   3.957  -6.428  -0.401
   72   1HB   ASP  11          HB2       ASP  11   2.295  -8.276  -0.317
   73   2HB   ASP  11          HB1       ASP  11   1.552  -7.645  -1.774
   74    HA   PRO  12           HA       PRO  12   2.365  -4.564  -4.829
   75   1HB   PRO  12          HB2       PRO  12   0.439  -2.821  -3.359
   76   2HB   PRO  12          HB1       PRO  12   0.366  -3.429  -5.014
   77   1HG   PRO  12          HG2       PRO  12  -1.035  -4.509  -2.949
   78   2HG   PRO  12          HG1       PRO  12  -0.534  -5.418  -4.382
   79   1HD   PRO  12          HD2       PRO  12   0.390  -5.686  -1.636
   80   2HD   PRO  12          HD1       PRO  12   0.698  -6.723  -3.035
   81    H    CYS  13           HN       CYS  13   2.105  -2.597  -1.831
   82    HA   CYS  13           HA       CYS  13   3.623  -0.437  -2.836
   83   1HB   CYS  13          HB2       CYS  13   3.238  -1.363   0.007
   84   2HB   CYS  13          HB1       CYS  13   3.757   0.226  -0.503
   85    H    ARG  14           HN       ARG  14   4.594  -3.340  -1.069
   86    HA   ARG  14           HA       ARG  14   7.338  -2.683  -0.996
   87   1HB   ARG  14          HB2       ARG  14   6.294  -4.424   0.418
   88   2HB   ARG  14          HB1       ARG  14   6.033  -5.417  -1.003
   89   1HG   ARG  14          HG2       ARG  14   8.409  -5.648  -1.331
   90   2HG   ARG  14          HG1       ARG  14   8.732  -4.550   0.008
   91   1HD   ARG  14          HD2       ARG  14   9.013  -6.868   0.689
   92   2HD   ARG  14          HD1       ARG  14   7.670  -6.117   1.547
   93    HE   ARG  14           HE       ARG  14   6.377  -7.282  -0.451
   94   1HH1  ARG  14          1HH1      ARG  14   8.971  -8.519   1.530
   95   2HH1  ARG  14          2HH1      ARG  14   8.412 -10.166   1.470
   96   1HH2  ARG  14          1HH2      ARG  14   5.616  -9.447  -0.528
   97   2HH2  ARG  14          2HH2      ARG  14   6.489 -10.687   0.332
   98    H    LYS  15           HN       LYS  15   5.294  -3.618  -3.572
   99    HA   LYS  15           HA       LYS  15   7.534  -4.356  -5.292
  100   1HB   LYS  15          HB2       LYS  15   4.589  -4.001  -5.858
  101   2HB   LYS  15          HB1       LYS  15   5.771  -4.507  -7.054
  102   1HG   LYS  15          HG2       LYS  15   5.113  -6.023  -4.537
  103   2HG   LYS  15          HG1       LYS  15   4.439  -6.369  -6.131
  104   1HD   LYS  15          HD2       LYS  15   6.840  -6.619  -6.925
  105   2HD   LYS  15          HD1       LYS  15   7.297  -6.613  -5.222
  106   1HE   LYS  15          HE2       LYS  15   5.394  -8.547  -6.537
  107   2HE   LYS  15          HE1       LYS  15   7.066  -8.887  -6.101
  108   1HZ   LYS  15          HZ1       LYS  15   5.558  -9.762  -4.455
  109   2HZ   LYS  15          HZ2       LYS  15   4.861  -8.241  -4.206
  110   3HZ   LYS  15          HZ3       LYS  15   6.482  -8.513  -3.775
  111    H    GLU  16           HN       GLU  16   5.297  -1.757  -4.672
  112    HA   GLU  16           HA       GLU  16   5.929  -0.045  -6.811
  113   1HB   GLU  16          HB2       GLU  16   4.150  -0.042  -4.728
  114   2HB   GLU  16          HB1       GLU  16   5.265   1.204  -4.246
  115   1HG   GLU  16          HG2       GLU  16   4.924   2.091  -6.669
  116   2HG   GLU  16          HG1       GLU  16   3.450   1.126  -6.605
  117    H    THR  17           HN       THR  17   6.720   0.299  -3.397
  118    HA   THR  17           HA       THR  17   8.994   2.014  -4.158
  119    HB   THR  17           HB       THR  17   8.841   2.902  -1.880
  120    HG1  THR  17           HG1      THR  17   7.219   2.220  -0.486
  121   1HG2  THR  17          1HG2      THR  17   7.525   3.972  -3.636
  122   2HG2  THR  17          2HG2      THR  17   6.690   4.053  -2.084
  123   3HG2  THR  17          3HG2      THR  17   6.186   2.879  -3.298
  124    H    GLY  18           HN       GLY  18   8.043  -0.870  -2.602
  125   1HA   GLY  18          HA2       GLY  18   9.537  -2.655  -2.239
  126   2HA   GLY  18          HA1       GLY  18  10.850  -1.502  -2.017
  127    H    CYS  19           HN       CYS  19   8.425  -0.135  -0.433
  128    HA   CYS  19           HA       CYS  19   9.235  -1.214   2.136
  129   1HB   CYS  19          HB2       CYS  19   7.475   1.150   1.479
  130   2HB   CYS  19          HB1       CYS  19   8.133   0.744   3.053
  131    HG   CYS  19           HG       CYS  19   9.450   2.989   1.932
  132    HA   PRO  20           HA       PRO  20   5.440  -3.585   2.069
  133   1HB   PRO  20          HB2       PRO  20   5.791  -4.894   4.392
  134   2HB   PRO  20          HB1       PRO  20   6.749  -5.273   2.957
  135   1HG   PRO  20          HG2       PRO  20   7.484  -3.615   5.337
  136   2HG   PRO  20          HG1       PRO  20   8.457  -4.813   4.466
  137   1HD   PRO  20          HD2       PRO  20   8.677  -2.110   4.093
  138   2HD   PRO  20          HD1       PRO  20   9.077  -3.313   2.848
  139    H    TYR  21           HN       TYR  21   5.238  -0.870   2.860
  140    HA   TYR  21           HA       TYR  21   3.206  -1.082   4.944
  141   1HB   TYR  21          HB2       TYR  21   5.312   1.050   4.668
  142   2HB   TYR  21          HB1       TYR  21   3.873   1.225   5.640
  143    HD1  TYR  21           HD1      TYR  21   3.518  -0.319   7.602
  144    HD2  TYR  21           HD2      TYR  21   7.200  -0.082   5.485
  145    HE1  TYR  21           HE1      TYR  21   4.672  -1.381   9.498
  146    HE2  TYR  21           HE2      TYR  21   8.363  -1.137   7.372
  147    HH   TYR  21           HH       TYR  21   7.986  -1.356   9.868
  148    H    GLY  22           HN       GLY  22   1.998   1.146   4.904
  149   1HA   GLY  22          HA2       GLY  22   1.352   2.828   3.094
  150   2HA   GLY  22          HA1       GLY  22   1.095   1.381   2.135
  151    H    LYS  23           HN       LYS  23  -0.803   3.431   2.905
  152    HA   LYS  23           HA       LYS  23  -2.678   1.745   4.448
  153   1HB   LYS  23          HB2       LYS  23  -1.867   4.217   5.248
  154   2HB   LYS  23          HB1       LYS  23  -3.243   4.624   4.227
  155   1HG   LYS  23          HG2       LYS  23  -4.060   4.455   6.430
  156   2HG   LYS  23          HG1       LYS  23  -4.616   3.020   5.562
  157   1HD   LYS  23          HD2       LYS  23  -3.825   2.428   7.788
  158   2HD   LYS  23          HD1       LYS  23  -2.780   1.726   6.553
  159   1HE   LYS  23          HE2       LYS  23  -1.497   2.687   8.421
  160   2HE   LYS  23          HE1       LYS  23  -1.150   3.494   6.893
  161   1HZ   LYS  23          HZ1       LYS  23  -2.995   4.502   8.992
  162   2HZ   LYS  23          HZ2       LYS  23  -2.633   5.287   7.533
  163   3HZ   LYS  23          HZ3       LYS  23  -1.426   5.077   8.700
  164    H    CYS  24           HN       CYS  24  -4.657   1.451   3.547
  165    HA   CYS  24           HA       CYS  24  -4.822   2.225   0.737
  166   1HB   CYS  24          HB2       CYS  24  -4.984  -0.148   1.135
  167   2HB   CYS  24          HB1       CYS  24  -6.239   0.088   2.340
  168    H    MET  25           HN       MET  25  -6.476   3.435  -0.063
  169    HA   MET  25           HA       MET  25  -8.178   4.722   1.949
  170   1HB   MET  25          HB2       MET  25  -6.693   5.865   0.004
  171   2HB   MET  25          HB1       MET  25  -8.222   5.673  -0.825
  172   1HG   MET  25          HG2       MET  25  -8.079   7.862   0.154
  173   2HG   MET  25          HG1       MET  25  -9.351   6.926   0.932
  174   1HE   MET  25          HE1       MET  25  -9.393   8.705   2.916
  175   2HE   MET  25          HE2       MET  25  -8.109   9.622   2.131
  176   3HE   MET  25          HE3       MET  25  -7.964   9.182   3.831
  177    H    ASN  26           HN       ASN  26 -10.315   5.449   0.671
  178    HA   ASN  26           HA       ASN  26 -12.013   3.390   0.931
  179   1HB   ASN  26          HB2       ASN  26 -12.683   5.751   0.695
  180   2HB   ASN  26          HB1       ASN  26 -12.408   5.621  -1.030
  181   1HD2  ASN  26          1HD2      ASN  26 -13.919   4.667  -2.308
  182   2HD2  ASN  26          2HD2      ASN  26 -15.460   4.121  -1.725
  183    H    ARG  27           HN       ARG  27 -10.334   4.147  -2.073
  184    HA   ARG  27           HA       ARG  27 -10.976   1.421  -2.922
  185   1HB   ARG  27          HB2       ARG  27 -12.633   3.025  -3.927
  186   2HB   ARG  27          HB1       ARG  27 -11.296   3.784  -4.772
  187   1HG   ARG  27          HG2       ARG  27 -12.405   2.314  -6.284
  188   2HG   ARG  27          HG1       ARG  27 -10.838   1.612  -5.887
  189   1HD   ARG  27          HD2       ARG  27 -13.278   0.832  -4.342
  190   2HD   ARG  27          HD1       ARG  27 -12.959   0.108  -5.916
  191    HE   ARG  27           HE       ARG  27 -10.630  -0.150  -4.442
  192   1HH1  ARG  27          1HH1      ARG  27 -13.960  -1.188  -4.171
  193   2HH1  ARG  27          2HH1      ARG  27 -13.555  -2.705  -3.420
  194   1HH2  ARG  27          1HH2      ARG  27 -10.103  -2.144  -3.417
  195   2HH2  ARG  27          2HH2      ARG  27 -11.385  -3.236  -2.993
  196    H    LYS  28           HN       LYS  28  -8.587   3.562  -2.270
  197    HA   LYS  28           HA       LYS  28  -6.768   2.380  -4.217
  198   1HB   LYS  28          HB2       LYS  28  -6.798   5.348  -3.867
  199   2HB   LYS  28          HB1       LYS  28  -5.856   4.417  -4.985
  200   1HG   LYS  28          HG2       LYS  28  -7.435   5.304  -6.380
  201   2HG   LYS  28          HG1       LYS  28  -8.164   3.748  -5.979
  202   1HD   LYS  28          HD2       LYS  28  -9.558   4.809  -4.294
  203   2HD   LYS  28          HD1       LYS  28  -8.790   6.367  -4.609
  204   1HE   LYS  28          HE2       LYS  28 -10.349   4.777  -6.640
  205   2HE   LYS  28          HE1       LYS  28 -11.016   6.099  -5.684
  206   1HZ   LYS  28          HZ1       LYS  28 -10.354   6.868  -7.857
  207   2HZ   LYS  28          HZ2       LYS  28  -8.772   6.298  -7.626
  208   3HZ   LYS  28          HZ3       LYS  28  -9.361   7.573  -6.674
  209    H    CYS  29           HN       CYS  29  -4.775   2.127  -3.426
  210    HA   CYS  29           HA       CYS  29  -4.394   2.666  -0.612
  211   1HB   CYS  29          HB2       CYS  29  -3.914   0.416  -1.727
  212   2HB   CYS  29          HB1       CYS  29  -2.493   1.191  -2.409
  213    H    LYS  30           HN       LYS  30  -2.737   3.799   0.259
  214    HA   LYS  30           HA       LYS  30  -0.896   5.179  -1.572
  215   1HB   LYS  30          HB2       LYS  30  -2.575   6.624  -0.249
  216   2HB   LYS  30          HB1       LYS  30  -1.562   6.217   1.113
  217   1HG   LYS  30          HG2       LYS  30  -0.783   8.292   0.395
  218   2HG   LYS  30          HG1       LYS  30   0.376   7.119  -0.215
  219   1HD   LYS  30          HD2       LYS  30  -0.138   8.761  -1.926
  220   2HD   LYS  30          HD1       LYS  30  -0.745   7.174  -2.402
  221   1HE   LYS  30          HE2       LYS  30  -2.364   8.956  -2.869
  222   2HE   LYS  30          HE1       LYS  30  -2.983   7.787  -1.701
  223   1HZ   LYS  30          HZ1       LYS  30  -1.843  10.459  -1.051
  224   2HZ   LYS  30          HZ2       LYS  30  -2.417   9.336   0.079
  225   3HZ   LYS  30          HZ3       LYS  30  -3.489  10.042  -1.022
  226    H    CYS  31           HN       CYS  31   1.025   4.499  -1.312
  227    HA   CYS  31           HA       CYS  31   1.625   2.672   0.828
  228   1HB   CYS  31          HB2       CYS  31   3.123   3.343  -1.696
  229   2HB   CYS  31          HB1       CYS  31   3.430   2.003  -0.629
  230    H    ASN  32           HN       ASN  32   3.889   2.649   1.658
  231    HA   ASN  32           HA       ASN  32   4.780   5.222   2.522
  232   1HB   ASN  32          HB2       ASN  32   5.115   3.196   3.894
  233   2HB   ASN  32          HB1       ASN  32   6.178   2.539   2.665
  234   1HD2  ASN  32          1HD2      ASN  32   5.813   4.862   5.172
  235   2HD2  ASN  32          2HD2      ASN  32   7.485   5.314   5.297
  236    H    ARG  33           HN       ARG  33   4.873   6.131   0.361
  237    HA   ARG  33           HA       ARG  33   7.233   5.415  -1.184
  238   1HB   ARG  33          HB2       ARG  33   5.042   5.830  -2.325
  239   2HB   ARG  33          HB1       ARG  33   5.112   7.496  -1.768
  240   1HG   ARG  33          HG2       ARG  33   7.215   7.793  -3.030
  241   2HG   ARG  33          HG1       ARG  33   7.042   6.151  -3.648
  242   1HD   ARG  33          HD2       ARG  33   5.087   8.409  -4.056
  243   2HD   ARG  33          HD1       ARG  33   6.236   7.812  -5.251
  244    HE   ARG  33           HE       ARG  33   4.616   5.675  -4.384
  245   1HH1  ARG  33          1HH1      ARG  33   4.499   8.578  -6.330
  246   2HH1  ARG  33          2HH1      ARG  33   3.143   8.045  -7.280
  247   1HH2  ARG  33          1HH2      ARG  33   2.853   4.951  -5.623
  248   2HH2  ARG  33          2HH2      ARG  33   2.190   5.973  -6.868
  249    H    CYS  34           HN       CYS  34   9.084   6.412  -0.780
  250    HA   CYS  34           HA       CYS  34   9.118   9.218  -0.045
  251   1HB   CYS  34          HB2       CYS  34   8.924   7.835   2.086
  252   2HB   CYS  34          HB1       CYS  34  10.526   7.209   1.717
  253    HG   CYS  34           HG       CYS  34  11.262  10.184   1.521
  Start of MODEL    6
    1   1H    ALA   1           HT1      ALA   1  -3.306  -3.066  -8.819
    2   2H    ALA   1           HT2      ALA   1  -1.727  -2.440  -8.801
    3   3H    ALA   1           HT3      ALA   1  -3.048  -1.407  -9.065
    4    HA   ALA   1           HA       ALA   1  -2.474  -2.902  -6.572
    5   1HB   ALA   1          HB1       ALA   1  -2.266   0.036  -7.193
    6   2HB   ALA   1          HB2       ALA   1  -0.923  -1.066  -6.908
    7   3HB   ALA   1          HB3       ALA   1  -2.047  -0.691  -5.603
    8    H    SER   2           HN       SER   2  -4.482  -3.674  -6.118
    9    HA   SER   2           HA       SER   2  -6.578  -1.659  -5.688
   10   1HB   SER   2          HB2       SER   2  -7.116  -3.111  -7.648
   11   2HB   SER   2          HB1       SER   2  -7.012  -4.521  -6.592
   12    HG   SER   2           HG       SER   2  -8.978  -2.549  -6.768
   13    H    CYS   3           HN       CYS   3  -7.374  -1.656  -3.635
   14    HA   CYS   3           HA       CYS   3  -6.496  -3.849  -1.903
   15   1HB   CYS   3          HB2       CYS   3  -6.336  -2.066  -0.118
   16   2HB   CYS   3          HB1       CYS   3  -5.108  -2.030  -1.370
   17    H    ARG   4           HN       ARG   4  -7.743  -4.473  -0.248
   18    HA   ARG   4           HA       ARG   4 -10.371  -3.218   0.052
   19   1HB   ARG   4          HB2       ARG   4  -9.470  -6.005   0.111
   20   2HB   ARG   4          HB1       ARG   4 -10.463  -5.564   1.488
   21   1HG   ARG   4          HG2       ARG   4 -11.819  -6.502  -0.286
   22   2HG   ARG   4          HG1       ARG   4 -12.229  -4.809  -0.017
   23   1HD   ARG   4          HD2       ARG   4 -10.681  -4.238  -1.906
   24   2HD   ARG   4          HD1       ARG   4 -10.566  -5.965  -2.243
   25    HE   ARG   4           HE       ARG   4 -13.269  -5.329  -2.159
   26   1HH1  ARG   4          1HH1      ARG   4 -10.452  -4.564  -4.106
   27   2HH1  ARG   4          2HH1      ARG   4 -11.381  -4.183  -5.529
   28   1HH2  ARG   4          1HH2      ARG   4 -14.493  -4.868  -4.032
   29   2HH2  ARG   4          2HH2      ARG   4 -13.680  -4.398  -5.494
   30    H    THR   5           HN       THR   5  -7.397  -4.137   1.473
   31    HA   THR   5           HA       THR   5  -8.056  -2.589   3.865
   32    HB   THR   5           HB       THR   5  -6.505  -4.070   5.148
   33    HG1  THR   5           HG1      THR   5  -6.499  -5.498   2.685
   34   1HG2  THR   5          1HG2      THR   5  -8.836  -5.484   3.848
   35   2HG2  THR   5          2HG2      THR   5  -8.903  -4.470   5.293
   36   3HG2  THR   5          3HG2      THR   5  -8.024  -6.000   5.332
   37    HA   PRO   6           HA       PRO   6  -4.379  -0.200   3.074
   38   1HB   PRO   6          HB2       PRO   6  -3.051  -0.352   5.480
   39   2HB   PRO   6          HB1       PRO   6  -4.378   0.744   5.159
   40   1HG   PRO   6          HG2       PRO   6  -4.377  -1.896   6.540
   41   2HG   PRO   6          HG1       PRO   6  -5.246  -0.407   6.964
   42   1HD   PRO   6          HD2       PRO   6  -6.472  -2.428   5.734
   43   2HD   PRO   6          HD1       PRO   6  -6.851  -0.744   5.343
   44    H    LYS   7           HN       LYS   7  -3.916  -3.249   4.745
   45    HA   LYS   7           HA       LYS   7  -1.192  -3.581   4.125
   46   1HB   LYS   7          HB2       LYS   7  -2.470  -4.684   5.992
   47   2HB   LYS   7          HB1       LYS   7  -3.203  -5.728   4.784
   48   1HG   LYS   7          HG2       LYS   7  -1.123  -6.739   4.271
   49   2HG   LYS   7          HG1       LYS   7  -0.234  -5.538   5.212
   50   1HD   LYS   7          HD2       LYS   7  -2.204  -7.535   6.326
   51   2HD   LYS   7          HD1       LYS   7  -0.447  -7.677   6.411
   52   1HE   LYS   7          HE2       LYS   7  -0.321  -5.648   7.740
   53   2HE   LYS   7          HE1       LYS   7  -2.060  -5.416   7.598
   54   1HZ   LYS   7          HZ1       LYS   7  -0.713  -7.680   8.977
   55   2HZ   LYS   7          HZ2       LYS   7  -2.393  -7.487   8.817
   56   3HZ   LYS   7          HZ3       LYS   7  -1.495  -6.371   9.728
   57    H    ASP   8           HN       ASP   8  -4.028  -3.873   2.245
   58    HA   ASP   8           HA       ASP   8  -3.139  -5.903   0.456
   59   1HB   ASP   8          HB2       ASP   8  -5.213  -3.775   0.295
   60   2HB   ASP   8          HB1       ASP   8  -4.710  -4.565  -1.186
   61    H    CYS   9           HN       CYS   9  -2.326  -2.518   0.693
   62    HA   CYS   9           HA       CYS   9  -1.089  -2.538  -1.925
   63   1HB   CYS   9          HB2       CYS   9  -0.705  -0.355   0.082
   64   2HB   CYS   9          HB1       CYS   9  -0.681  -0.260  -1.653
   65    H    ALA  10           HN       ALA  10  -0.244  -3.633   1.091
   66    HA   ALA  10           HA       ALA  10   2.293  -2.502   1.467
   67   1HB   ALA  10          HB1       ALA  10   2.647  -4.246   3.119
   68   2HB   ALA  10          HB2       ALA  10   1.258  -5.136   2.496
   69   3HB   ALA  10          HB3       ALA  10   1.027  -3.566   3.263
   70    H    ASP  11           HN       ASP  11   1.290  -5.354  -0.347
   71    HA   ASP  11           HA       ASP  11   3.986  -6.275  -0.694
   72   1HB   ASP  11          HB2       ASP  11   1.960  -7.782  -0.884
   73   2HB   ASP  11          HB1       ASP  11   1.637  -7.029  -2.443
   74    HA   PRO  12           HA       PRO  12   3.408  -4.105  -5.087
   75   1HB   PRO  12          HB2       PRO  12   1.595  -1.981  -4.742
   76   2HB   PRO  12          HB1       PRO  12   1.353  -3.420  -5.731
   77   1HG   PRO  12          HG2       PRO  12   0.380  -2.807  -3.000
   78   2HG   PRO  12          HG1       PRO  12  -0.358  -3.799  -4.267
   79   1HD   PRO  12          HD2       PRO  12   0.813  -4.888  -2.105
   80   2HD   PRO  12          HD1       PRO  12   0.863  -5.667  -3.701
   81    H    CYS  13           HN       CYS  13   2.784  -2.206  -2.082
   82    HA   CYS  13           HA       CYS  13   4.516  -0.118  -2.814
   83   1HB   CYS  13          HB2       CYS  13   3.480  -1.131  -0.178
   84   2HB   CYS  13          HB1       CYS  13   4.582   0.220  -0.273
   85    H    ARG  14           HN       ARG  14   5.139  -3.219  -1.244
   86    HA   ARG  14           HA       ARG  14   7.860  -2.645  -0.700
   87   1HB   ARG  14          HB2       ARG  14   6.562  -4.478   0.393
   88   2HB   ARG  14          HB1       ARG  14   6.565  -5.348  -1.127
   89   1HG   ARG  14          HG2       ARG  14   9.167  -5.051  -0.920
   90   2HG   ARG  14          HG1       ARG  14   8.787  -4.875   0.783
   91   1HD   ARG  14          HD2       ARG  14   8.000  -7.203  -0.956
   92   2HD   ARG  14          HD1       ARG  14   9.339  -7.189   0.181
   93    HE   ARG  14           HE       ARG  14   6.478  -7.107   0.882
   94   1HH1  ARG  14          1HH1      ARG  14   9.828  -7.719   1.709
   95   2HH1  ARG  14          2HH1      ARG  14   9.449  -8.383   3.268
   96   1HH2  ARG  14          1HH2      ARG  14   5.982  -8.028   2.927
   97   2HH2  ARG  14          2HH2      ARG  14   7.278  -8.562   3.961
   98    H    LYS  15           HN       LYS  15   6.222  -3.153  -3.605
   99    HA   LYS  15           HA       LYS  15   8.616  -4.245  -4.916
  100   1HB   LYS  15          HB2       LYS  15   5.791  -3.976  -5.940
  101   2HB   LYS  15          HB1       LYS  15   7.119  -4.750  -6.799
  102   1HG   LYS  15          HG2       LYS  15   5.950  -5.676  -4.179
  103   2HG   LYS  15          HG1       LYS  15   5.632  -6.390  -5.762
  104   1HD   LYS  15          HD2       LYS  15   7.833  -7.185  -5.969
  105   2HD   LYS  15          HD1       LYS  15   8.423  -6.146  -4.669
  106   1HE   LYS  15          HE2       LYS  15   8.259  -8.490  -3.971
  107   2HE   LYS  15          HE1       LYS  15   7.192  -7.445  -3.034
  108   1HZ   LYS  15          HZ1       LYS  15   6.232  -8.963  -5.390
  109   2HZ   LYS  15          HZ2       LYS  15   5.313  -8.262  -4.143
  110   3HZ   LYS  15          HZ3       LYS  15   6.256  -9.636  -3.837
  111    H    GLU  16           HN       GLU  16   6.433  -1.602  -4.735
  112    HA   GLU  16           HA       GLU  16   7.551  -0.202  -6.998
  113   1HB   GLU  16          HB2       GLU  16   5.127  -0.219  -6.422
  114   2HB   GLU  16          HB1       GLU  16   5.503   0.646  -4.951
  115   1HG   GLU  16          HG2       GLU  16   6.111   1.709  -7.705
  116   2HG   GLU  16          HG1       GLU  16   4.582   1.993  -6.885
  117    H    THR  17           HN       THR  17   7.495   0.108  -3.455
  118    HA   THR  17           HA       THR  17   9.466   2.287  -3.688
  119    HB   THR  17           HB       THR  17   7.802   1.653  -1.249
  120    HG1  THR  17           HG1      THR  17   7.095   2.948  -3.598
  121   1HG2  THR  17          1HG2      THR  17   9.794   3.006  -0.848
  122   2HG2  THR  17          2HG2      THR  17   8.333   3.979  -0.652
  123   3HG2  THR  17          3HG2      THR  17   9.300   4.124  -2.121
  124    H    GLY  18           HN       GLY  18   8.651  -0.752  -2.218
  125   1HA   GLY  18          HA2       GLY  18  10.340  -2.366  -1.743
  126   2HA   GLY  18          HA1       GLY  18  11.449  -1.057  -1.356
  127    H    CYS  19           HN       CYS  19   8.730  -0.028  -0.053
  128    HA   CYS  19           HA       CYS  19   9.369  -1.101   2.579
  129   1HB   CYS  19          HB2       CYS  19   7.513   1.179   1.931
  130   2HB   CYS  19          HB1       CYS  19   8.351   0.850   3.438
  131    HG   CYS  19           HG       CYS  19  10.466   2.228   2.950
  132    HA   PRO  20           HA       PRO  20   5.692  -3.572   1.973
  133   1HB   PRO  20          HB2       PRO  20   5.986  -5.183   4.087
  134   2HB   PRO  20          HB1       PRO  20   7.082  -5.272   2.703
  135   1HG   PRO  20          HG2       PRO  20   7.488  -3.953   5.362
  136   2HG   PRO  20          HG1       PRO  20   8.619  -4.941   4.417
  137   1HD   PRO  20          HD2       PRO  20   8.625  -2.190   4.464
  138   2HD   PRO  20          HD1       PRO  20   9.269  -3.170   3.131
  139    H    TYR  21           HN       TYR  21   5.236  -0.996   3.158
  140    HA   TYR  21           HA       TYR  21   3.120  -1.732   5.046
  141   1HB   TYR  21          HB2       TYR  21   4.581   0.901   4.881
  142   2HB   TYR  21          HB1       TYR  21   3.300   0.495   5.992
  143    HD1  TYR  21           HD1      TYR  21   3.728  -1.394   7.673
  144    HD2  TYR  21           HD2      TYR  21   6.810   0.525   5.462
  145    HE1  TYR  21           HE1      TYR  21   5.387  -2.166   9.319
  146    HE2  TYR  21           HE2      TYR  21   8.473  -0.239   7.094
  147    HH   TYR  21           HH       TYR  21   8.497  -0.920   9.508
  148    H    GLY  22           HN       GLY  22   1.387   0.098   4.981
  149   1HA   GLY  22          HA2       GLY  22   1.079   1.794   2.839
  150   2HA   GLY  22          HA1       GLY  22   0.428   0.257   2.314
  151    H    LYS  23           HN       LYS  23  -1.107   2.462   2.363
  152    HA   LYS  23           HA       LYS  23  -3.110   1.744   4.368
  153   1HB   LYS  23          HB2       LYS  23  -1.638   4.098   4.500
  154   2HB   LYS  23          HB1       LYS  23  -3.091   4.558   3.630
  155   1HG   LYS  23          HG2       LYS  23  -3.184   3.124   6.257
  156   2HG   LYS  23          HG1       LYS  23  -3.119   4.882   6.130
  157   1HD   LYS  23          HD2       LYS  23  -5.245   3.090   4.957
  158   2HD   LYS  23          HD1       LYS  23  -5.415   4.098   6.396
  159   1HE   LYS  23          HE2       LYS  23  -4.993   5.009   3.553
  160   2HE   LYS  23          HE1       LYS  23  -6.441   5.220   4.536
  161   1HZ   LYS  23          HZ1       LYS  23  -5.340   7.268   4.592
  162   2HZ   LYS  23          HZ2       LYS  23  -3.816   6.565   4.816
  163   3HZ   LYS  23          HZ3       LYS  23  -4.949   6.556   6.080
  164    H    CYS  24           HN       CYS  24  -5.161   1.727   3.455
  165    HA   CYS  24           HA       CYS  24  -5.169   2.079   0.542
  166   1HB   CYS  24          HB2       CYS  24  -5.784  -0.141   1.364
  167   2HB   CYS  24          HB1       CYS  24  -7.044   0.554   2.359
  168    H    MET  25           HN       MET  25  -6.418   3.609  -0.406
  169    HA   MET  25           HA       MET  25  -7.808   5.469   1.361
  170   1HB   MET  25          HB2       MET  25  -6.289   6.075  -0.628
  171   2HB   MET  25          HB1       MET  25  -7.672   5.640  -1.610
  172   1HG   MET  25          HG2       MET  25  -9.005   7.369  -0.639
  173   2HG   MET  25          HG1       MET  25  -7.752   7.729   0.539
  174   1HE   MET  25          HE1       MET  25  -7.723  10.931  -1.684
  175   2HE   MET  25          HE2       MET  25  -7.820  10.300  -0.040
  176   3HE   MET  25          HE3       MET  25  -9.121   9.981  -1.184
  177    H    ASN  26           HN       ASN  26 -10.005   6.283   0.363
  178    HA   ASN  26           HA       ASN  26 -11.988   4.585   0.886
  179   1HB   ASN  26          HB2       ASN  26 -12.415   6.910   0.320
  180   2HB   ASN  26          HB1       ASN  26 -12.066   6.573  -1.362
  181   1HD2  ASN  26          1HD2      ASN  26 -13.616   5.611  -2.634
  182   2HD2  ASN  26          2HD2      ASN  26 -15.229   5.304  -2.089
  183    H    ARG  27           HN       ARG  27 -10.653   4.879  -2.378
  184    HA   ARG  27           HA       ARG  27 -11.067   2.018  -2.698
  185   1HB   ARG  27          HB2       ARG  27 -13.054   3.383  -3.679
  186   2HB   ARG  27          HB1       ARG  27 -11.919   3.828  -4.947
  187   1HG   ARG  27          HG2       ARG  27 -13.159   1.988  -5.753
  188   2HG   ARG  27          HG1       ARG  27 -11.560   1.369  -5.343
  189   1HD   ARG  27          HD2       ARG  27 -13.931   1.213  -3.491
  190   2HD   ARG  27          HD1       ARG  27 -13.515  -0.060  -4.632
  191    HE   ARG  27           HE       ARG  27 -11.237   0.132  -3.312
  192   1HH1  ARG  27          1HH1      ARG  27 -14.503   0.189  -2.061
  193   2HH1  ARG  27          2HH1      ARG  27 -14.070  -0.529  -0.546
  194   1HH2  ARG  27          1HH2      ARG  27 -10.659  -0.821  -1.313
  195   2HH2  ARG  27          2HH2      ARG  27 -11.888  -1.095  -0.108
  196    H    LYS  28           HN       LYS  28  -8.794   3.709  -2.240
  197    HA   LYS  28           HA       LYS  28  -7.301   3.325  -4.736
  198   1HB   LYS  28          HB2       LYS  28  -6.984   5.671  -2.888
  199   2HB   LYS  28          HB1       LYS  28  -6.158   5.411  -4.410
  200   1HG   LYS  28          HG2       LYS  28  -8.272   5.624  -5.603
  201   2HG   LYS  28          HG1       LYS  28  -9.109   5.877  -4.071
  202   1HD   LYS  28          HD2       LYS  28  -7.647   7.877  -3.706
  203   2HD   LYS  28          HD1       LYS  28  -7.037   7.656  -5.349
  204   1HE   LYS  28          HE2       LYS  28  -9.920   8.114  -4.587
  205   2HE   LYS  28          HE1       LYS  28  -8.829   9.331  -5.249
  206   1HZ   LYS  28          HZ1       LYS  28  -8.667   8.092  -7.277
  207   2HZ   LYS  28          HZ2       LYS  28 -10.311   8.321  -6.922
  208   3HZ   LYS  28          HZ3       LYS  28  -9.580   6.815  -6.642
  209    H    CYS  29           HN       CYS  29  -4.864   3.611  -4.140
  210    HA   CYS  29           HA       CYS  29  -4.369   2.048  -1.703
  211   1HB   CYS  29          HB2       CYS  29  -4.050   1.253  -4.387
  212   2HB   CYS  29          HB1       CYS  29  -2.441   1.501  -3.761
  213    H    LYS  30           HN       LYS  30  -2.808   2.788  -0.485
  214    HA   LYS  30           HA       LYS  30  -0.770   4.583  -1.609
  215   1HB   LYS  30          HB2       LYS  30  -2.657   5.776  -0.382
  216   2HB   LYS  30          HB1       LYS  30  -2.052   5.002   1.061
  217   1HG   LYS  30          HG2       LYS  30   0.119   6.100   0.713
  218   2HG   LYS  30          HG1       LYS  30  -0.553   6.932  -0.682
  219   1HD   LYS  30          HD2       LYS  30  -1.523   7.166   2.159
  220   2HD   LYS  30          HD1       LYS  30  -0.597   8.376   1.271
  221   1HE   LYS  30          HE2       LYS  30  -3.350   7.381   0.545
  222   2HE   LYS  30          HE1       LYS  30  -2.992   8.919   1.328
  223   1HZ   LYS  30          HZ1       LYS  30  -2.121   8.090  -1.385
  224   2HZ   LYS  30          HZ2       LYS  30  -1.702   9.549  -0.630
  225   3HZ   LYS  30          HZ3       LYS  30  -3.320   9.230  -1.021
  226    H    CYS  31           HN       CYS  31   1.245   4.558  -0.423
  227    HA   CYS  31           HA       CYS  31   1.601   2.218   1.216
  228   1HB   CYS  31          HB2       CYS  31   3.621   4.277   0.388
  229   2HB   CYS  31          HB1       CYS  31   3.914   2.685   1.002
  230    H    ASN  32           HN       ASN  32   2.827   2.485   3.219
  231    HA   ASN  32           HA       ASN  32   2.034   4.943   4.641
  232   1HB   ASN  32          HB2       ASN  32   1.080   2.695   5.436
  233   2HB   ASN  32          HB1       ASN  32   2.709   2.314   5.967
  234   1HD2  ASN  32          1HD2      ASN  32   3.599   3.454   7.667
  235   2HD2  ASN  32          2HD2      ASN  32   2.633   4.374   8.766
  236    H    ARG  33           HN       ARG  33   4.027   5.630   3.439
  237    HA   ARG  33           HA       ARG  33   6.356   5.328   5.179
  238   1HB   ARG  33          HB2       ARG  33   6.387   3.746   3.151
  239   2HB   ARG  33          HB1       ARG  33   6.575   5.184   2.170
  240   1HG   ARG  33          HG2       ARG  33   8.503   4.799   4.386
  241   2HG   ARG  33          HG1       ARG  33   8.630   3.721   2.997
  242   1HD   ARG  33          HD2       ARG  33   8.880   6.714   3.078
  243   2HD   ARG  33          HD1       ARG  33  10.059   5.524   2.522
  244    HE   ARG  33           HE       ARG  33   8.165   5.085   0.764
  245   1HH1  ARG  33          1HH1      ARG  33   9.300   8.141   2.023
  246   2HH1  ARG  33          2HH1      ARG  33   8.843   9.042   0.604
  247   1HH2  ARG  33          1HH2      ARG  33   7.500   6.273  -1.082
  248   2HH2  ARG  33          2HH2      ARG  33   7.824   7.982  -1.154
  249    H    CYS  34           HN       CYS  34   4.906   7.379   5.508
  250    HA   CYS  34           HA       CYS  34   6.341   9.644   4.626
  251   1HB   CYS  34          HB2       CYS  34   5.101   9.110   2.517
  252   2HB   CYS  34          HB1       CYS  34   3.592   9.338   3.390
  253    HG   CYS  34           HG       CYS  34   3.902  12.040   3.808
  Start of MODEL    7
    1   1H    ALA   1           HT1      ALA   1  -1.923  -3.230  -8.965
    2   2H    ALA   1           HT2      ALA   1  -2.496  -1.731  -8.430
    3   3H    ALA   1           HT3      ALA   1  -3.561  -2.833  -9.151
    4    HA   ALA   1           HA       ALA   1  -3.230  -4.373  -7.320
    5   1HB   ALA   1          HB1       ALA   1  -0.963  -3.684  -6.735
    6   2HB   ALA   1          HB2       ALA   1  -2.026  -3.615  -5.326
    7   3HB   ALA   1          HB3       ALA   1  -1.573  -2.129  -6.162
    8    H    SER   2           HN       SER   2  -5.452  -3.955  -7.485
    9    HA   SER   2           HA       SER   2  -6.609  -1.580  -6.371
   10   1HB   SER   2          HB2       SER   2  -7.558  -3.184  -8.212
   11   2HB   SER   2          HB1       SER   2  -8.148  -4.119  -6.838
   12    HG   SER   2           HG       SER   2  -8.674  -1.358  -7.306
   13    H    CYS   3           HN       CYS   3  -6.601  -1.217  -4.293
   14    HA   CYS   3           HA       CYS   3  -5.855  -3.165  -2.395
   15   1HB   CYS   3          HB2       CYS   3  -5.166  -0.952  -1.988
   16   2HB   CYS   3          HB1       CYS   3  -6.803  -0.347  -2.135
   17    H    ARG   4           HN       ARG   4  -6.836  -3.847  -0.651
   18    HA   ARG   4           HA       ARG   4  -9.770  -3.780  -0.491
   19   1HB   ARG   4          HB2       ARG   4  -8.786  -6.001  -1.110
   20   2HB   ARG   4          HB1       ARG   4  -7.928  -5.994   0.406
   21   1HG   ARG   4          HG2       ARG   4 -10.099  -5.886   1.587
   22   2HG   ARG   4          HG1       ARG   4 -10.907  -6.061   0.031
   23   1HD   ARG   4          HD2       ARG   4 -10.712  -8.207   1.200
   24   2HD   ARG   4          HD1       ARG   4  -9.818  -8.204  -0.314
   25    HE   ARG   4           HE       ARG   4  -8.156  -7.470   1.869
   26   1HH1  ARG   4          1HH1      ARG   4  -9.622 -10.202   0.244
   27   2HH1  ARG   4          2HH1      ARG   4  -8.438 -11.343   0.823
   28   1HH2  ARG   4          1HH2      ARG   4  -6.579  -8.961   2.612
   29   2HH2  ARG   4          2HH2      ARG   4  -6.700 -10.636   2.153
   30    H    THR   5           HN       THR   5  -6.715  -3.587   0.986
   31    HA   THR   5           HA       THR   5  -7.679  -2.368   3.393
   32    HB   THR   5           HB       THR   5  -6.172  -4.086   4.725
   33    HG1  THR   5           HG1      THR   5  -6.159  -6.126   3.847
   34   1HG2  THR   5          1HG2      THR   5  -8.524  -3.698   5.210
   35   2HG2  THR   5          2HG2      THR   5  -8.167  -5.426   5.252
   36   3HG2  THR   5          3HG2      THR   5  -8.989  -4.726   3.855
   37    HA   PRO   6           HA       PRO   6  -3.857  -0.154   3.131
   38   1HB   PRO   6          HB2       PRO   6  -2.862  -0.441   5.711
   39   2HB   PRO   6          HB1       PRO   6  -3.985   0.799   5.193
   40   1HG   PRO   6          HG2       PRO   6  -4.499  -1.789   6.565
   41   2HG   PRO   6          HG1       PRO   6  -5.271  -0.211   6.815
   42   1HD   PRO   6          HD2       PRO   6  -6.496  -2.125   5.441
   43   2HD   PRO   6          HD1       PRO   6  -6.587  -0.429   4.924
   44    H    LYS   7           HN       LYS   7  -3.595  -3.201   4.934
   45    HA   LYS   7           HA       LYS   7  -0.874  -3.547   4.104
   46   1HB   LYS   7          HB2       LYS   7  -2.721  -5.275   5.737
   47   2HB   LYS   7          HB1       LYS   7  -1.078  -5.745   5.324
   48   1HG   LYS   7          HG2       LYS   7  -0.328  -3.600   6.440
   49   2HG   LYS   7          HG1       LYS   7  -1.975  -3.470   7.060
   50   1HD   LYS   7          HD2       LYS   7  -0.162  -5.842   7.483
   51   2HD   LYS   7          HD1       LYS   7  -0.398  -4.541   8.650
   52   1HE   LYS   7          HE2       LYS   7  -2.603  -6.294   7.581
   53   2HE   LYS   7          HE1       LYS   7  -1.762  -6.572   9.103
   54   1HZ   LYS   7          HZ1       LYS   7  -3.428  -4.220   8.396
   55   2HZ   LYS   7          HZ2       LYS   7  -2.511  -4.340   9.815
   56   3HZ   LYS   7          HZ3       LYS   7  -3.792  -5.419   9.539
   57    H    ASP   8           HN       ASP   8  -3.690  -3.915   2.467
   58    HA   ASP   8           HA       ASP   8  -3.249  -6.504   1.305
   59   1HB   ASP   8          HB2       ASP   8  -5.474  -5.478   1.241
   60   2HB   ASP   8          HB1       ASP   8  -4.849  -4.166   0.245
   61    H    CYS   9           HN       CYS   9  -2.331  -3.223   0.509
   62    HA   CYS   9           HA       CYS   9  -0.881  -4.115  -1.841
   63   1HB   CYS   9          HB2       CYS   9  -0.926  -1.334  -0.693
   64   2HB   CYS   9          HB1       CYS   9  -0.527  -1.826  -2.327
   65    H    ALA  10           HN       ALA  10  -0.219  -4.403   1.264
   66    HA   ALA  10           HA       ALA  10   2.172  -2.986   1.661
   67   1HB   ALA  10          HB1       ALA  10   0.885  -3.992   3.494
   68   2HB   ALA  10          HB2       ALA  10   2.576  -4.482   3.529
   69   3HB   ALA  10          HB3       ALA  10   1.349  -5.597   2.929
   70    H    ASP  11           HN       ASP  11   1.480  -5.916  -0.034
   71    HA   ASP  11           HA       ASP  11   4.257  -6.715  -0.141
   72   1HB   ASP  11          HB2       ASP  11   2.338  -8.361  -0.105
   73   2HB   ASP  11          HB1       ASP  11   1.985  -7.868  -1.756
   74    HA   PRO  12           HA       PRO  12   3.544  -5.049  -4.731
   75   1HB   PRO  12          HB2       PRO  12   1.415  -3.091  -4.051
   76   2HB   PRO  12          HB1       PRO  12   1.648  -4.032  -5.525
   77   1HG   PRO  12          HG2       PRO  12  -0.251  -4.675  -3.788
   78   2HG   PRO  12          HG1       PRO  12   0.670  -5.923  -4.639
   79   1HD   PRO  12          HD2       PRO  12   0.909  -4.974  -1.821
   80   2HD   PRO  12          HD1       PRO  12   1.084  -6.601  -2.481
   81    H    CYS  13           HN       CYS  13   2.877  -3.060  -1.856
   82    HA   CYS  13           HA       CYS  13   4.378  -0.832  -2.753
   83   1HB   CYS  13          HB2       CYS  13   3.394  -1.729  -0.058
   84   2HB   CYS  13          HB1       CYS  13   4.345  -0.274  -0.264
   85    H    ARG  14           HN       ARG  14   5.215  -3.779  -1.093
   86    HA   ARG  14           HA       ARG  14   7.864  -3.021  -0.435
   87   1HB   ARG  14          HB2       ARG  14   6.833  -4.936   0.651
   88   2HB   ARG  14          HB1       ARG  14   6.632  -5.752  -0.884
   89   1HG   ARG  14          HG2       ARG  14   9.092  -5.860  -1.107
   90   2HG   ARG  14          HG1       ARG  14   9.237  -5.141   0.489
   91   1HD   ARG  14          HD2       ARG  14   9.471  -7.589   0.538
   92   2HD   ARG  14          HD1       ARG  14   8.086  -7.030   1.478
   93    HE   ARG  14           HE       ARG  14   6.643  -7.873  -0.206
   94   1HH1  ARG  14          1HH1      ARG  14  10.009  -8.682  -0.725
   95   2HH1  ARG  14          2HH1      ARG  14   9.652  -9.997  -1.811
   96   1HH2  ARG  14          1HH2      ARG  14   6.169  -9.612  -1.579
   97   2HH2  ARG  14          2HH2      ARG  14   7.474 -10.533  -2.282
   98    H    LYS  15           HN       LYS  15   6.310  -3.975  -3.340
   99    HA   LYS  15           HA       LYS  15   8.796  -4.470  -4.752
  100   1HB   LYS  15          HB2       LYS  15   6.930  -5.820  -5.376
  101   2HB   LYS  15          HB1       LYS  15   5.887  -4.409  -5.512
  102   1HG   LYS  15          HG2       LYS  15   7.033  -3.691  -7.492
  103   2HG   LYS  15          HG1       LYS  15   8.217  -4.990  -7.321
  104   1HD   LYS  15          HD2       LYS  15   6.754  -6.603  -8.008
  105   2HD   LYS  15          HD1       LYS  15   5.338  -5.720  -7.430
  106   1HE   LYS  15          HE2       LYS  15   6.999  -4.867  -9.790
  107   2HE   LYS  15          HE1       LYS  15   5.552  -5.868  -9.923
  108   1HZ   LYS  15          HZ1       LYS  15   5.150  -3.471 -10.289
  109   2HZ   LYS  15          HZ2       LYS  15   5.589  -3.166  -8.678
  110   3HZ   LYS  15          HZ3       LYS  15   4.228  -4.120  -9.021
  111    H    GLU  16           HN       GLU  16   6.349  -1.999  -4.395
  112    HA   GLU  16           HA       GLU  16   7.271  -0.336  -6.512
  113   1HB   GLU  16          HB2       GLU  16   5.119  -0.479  -4.576
  114   2HB   GLU  16          HB1       GLU  16   5.666   1.142  -4.852
  115   1HG   GLU  16          HG2       GLU  16   3.829   0.636  -6.323
  116   2HG   GLU  16          HG1       GLU  16   5.304   0.861  -7.261
  117    H    THR  17           HN       THR  17   7.320  -0.125  -2.974
  118    HA   THR  17           HA       THR  17   9.107   2.206  -3.186
  119    HB   THR  17           HB       THR  17   7.514   1.271  -0.782
  120    HG1  THR  17           HG1      THR  17   6.808   2.773  -2.987
  121   1HG2  THR  17          1HG2      THR  17   9.468   2.623  -0.200
  122   2HG2  THR  17          2HG2      THR  17   7.975   3.508   0.094
  123   3HG2  THR  17          3HG2      THR  17   8.943   3.872  -1.327
  124    H    GLY  18           HN       GLY  18   8.795  -1.023  -2.179
  125   1HA   GLY  18          HA2       GLY  18  10.580  -2.461  -1.730
  126   2HA   GLY  18          HA1       GLY  18  11.567  -1.082  -1.259
  127    H    CYS  19           HN       CYS  19   8.792  -0.418   0.144
  128    HA   CYS  19           HA       CYS  19   9.495  -1.785   2.637
  129   1HB   CYS  19          HB2       CYS  19   7.992   0.805   2.264
  130   2HB   CYS  19          HB1       CYS  19   8.592   0.134   3.770
  131    HG   CYS  19           HG       CYS  19  11.235   0.597   3.307
  132    HA   PRO  20           HA       PRO  20   5.498  -3.705   2.098
  133   1HB   PRO  20          HB2       PRO  20   5.482  -5.183   4.341
  134   2HB   PRO  20          HB1       PRO  20   6.541  -5.570   2.977
  135   1HG   PRO  20          HG2       PRO  20   7.181  -4.122   5.523
  136   2HG   PRO  20          HG1       PRO  20   8.112  -5.382   4.692
  137   1HD   PRO  20          HD2       PRO  20   8.667  -2.717   4.494
  138   2HD   PRO  20          HD1       PRO  20   9.032  -3.886   3.210
  139    H    TYR  21           HN       TYR  21   5.324  -1.053   2.959
  140    HA   TYR  21           HA       TYR  21   3.212  -1.244   4.974
  141   1HB   TYR  21          HB2       TYR  21   5.204   1.004   4.715
  142   2HB   TYR  21          HB1       TYR  21   3.934   0.853   5.904
  143    HD1  TYR  21           HD1      TYR  21   4.064  -1.121   7.544
  144    HD2  TYR  21           HD2      TYR  21   7.339   0.168   5.154
  145    HE1  TYR  21           HE1      TYR  21   5.622  -2.288   9.052
  146    HE2  TYR  21           HE2      TYR  21   8.902  -0.989   6.652
  147    HH   TYR  21           HH       TYR  21   8.992  -1.785   8.955
  148    H    GLY  22           HN       GLY  22   1.961   0.965   4.898
  149   1HA   GLY  22          HA2       GLY  22   1.642   2.583   2.781
  150   2HA   GLY  22          HA1       GLY  22   0.960   1.075   2.198
  151    H    LYS  23           HN       LYS  23  -0.872   2.741   2.062
  152    HA   LYS  23           HA       LYS  23  -2.661   2.227   4.296
  153   1HB   LYS  23          HB2       LYS  23  -1.313   4.586   4.363
  154   2HB   LYS  23          HB1       LYS  23  -2.678   5.024   3.346
  155   1HG   LYS  23          HG2       LYS  23  -3.198   5.582   5.605
  156   2HG   LYS  23          HG1       LYS  23  -4.202   4.219   5.119
  157   1HD   LYS  23          HD2       LYS  23  -3.445   3.713   7.292
  158   2HD   LYS  23          HD1       LYS  23  -2.461   2.729   6.207
  159   1HE   LYS  23          HE2       LYS  23  -1.572   5.394   7.303
  160   2HE   LYS  23          HE1       LYS  23  -1.226   3.862   8.093
  161   1HZ   LYS  23          HZ1       LYS  23   0.642   4.497   6.791
  162   2HZ   LYS  23          HZ2       LYS  23  -0.296   4.729   5.408
  163   3HZ   LYS  23          HZ3       LYS  23  -0.072   3.169   6.027
  164    H    CYS  24           HN       CYS  24  -4.866   2.399   3.616
  165    HA   CYS  24           HA       CYS  24  -5.072   2.283   0.692
  166   1HB   CYS  24          HB2       CYS  24  -5.732   0.323   2.205
  167   2HB   CYS  24          HB1       CYS  24  -7.105   1.299   2.706
  168    H    MET  25           HN       MET  25  -6.628   3.514  -0.429
  169    HA   MET  25           HA       MET  25  -7.909   5.645   1.125
  170   1HB   MET  25          HB2       MET  25  -6.541   6.256  -0.859
  171   2HB   MET  25          HB1       MET  25  -7.653   5.329  -1.843
  172   1HG   MET  25          HG2       MET  25  -8.104   7.704  -2.002
  173   2HG   MET  25          HG1       MET  25  -9.463   6.842  -1.282
  174   1HE   MET  25          HE1       MET  25  -8.988  10.045  -1.161
  175   2HE   MET  25          HE2       MET  25  -9.506  10.346   0.488
  176   3HE   MET  25          HE3       MET  25 -10.405   9.215  -0.517
  177    H    ASN  26           HN       ASN  26 -10.208   6.174   0.351
  178    HA   ASN  26           HA       ASN  26 -11.983   4.340   1.096
  179   1HB   ASN  26          HB2       ASN  26 -13.686   5.418  -0.474
  180   2HB   ASN  26          HB1       ASN  26 -12.871   6.459   0.673
  181   1HD2  ASN  26          1HD2      ASN  26 -13.284   8.292  -0.525
  182   2HD2  ASN  26          2HD2      ASN  26 -12.463   8.636  -2.013
  183    H    ARG  27           HN       ARG  27 -11.172   4.667  -2.340
  184    HA   ARG  27           HA       ARG  27 -11.233   1.758  -2.498
  185   1HB   ARG  27          HB2       ARG  27 -12.832   3.605  -4.217
  186   2HB   ARG  27          HB1       ARG  27 -12.263   2.078  -4.869
  187   1HG   ARG  27          HG2       ARG  27 -13.969   2.368  -2.402
  188   2HG   ARG  27          HG1       ARG  27 -14.575   1.981  -4.012
  189   1HD   ARG  27          HD2       ARG  27 -14.378  -0.064  -2.807
  190   2HD   ARG  27          HD1       ARG  27 -13.087  -0.031  -4.004
  191    HE   ARG  27           HE       ARG  27 -12.462   0.845  -1.281
  192   1HH1  ARG  27          1HH1      ARG  27 -12.223  -1.621  -3.753
  193   2HH1  ARG  27          2HH1      ARG  27 -10.901  -2.443  -2.984
  194   1HH2  ARG  27          1HH2      ARG  27 -10.717  -0.240  -0.274
  195   2HH2  ARG  27          2HH2      ARG  27 -10.047  -1.656  -1.018
  196    H    LYS  28           HN       LYS  28  -9.022   3.135  -2.151
  197    HA   LYS  28           HA       LYS  28  -7.584   2.760  -4.661
  198   1HB   LYS  28          HB2       LYS  28  -8.336   5.269  -4.167
  199   2HB   LYS  28          HB1       LYS  28  -6.931   5.217  -3.136
  200   1HG   LYS  28          HG2       LYS  28  -6.381   6.132  -5.318
  201   2HG   LYS  28          HG1       LYS  28  -5.530   4.616  -5.029
  202   1HD   LYS  28          HD2       LYS  28  -6.365   4.646  -7.292
  203   2HD   LYS  28          HD1       LYS  28  -7.241   3.432  -6.358
  204   1HE   LYS  28          HE2       LYS  28  -8.779   4.673  -7.761
  205   2HE   LYS  28          HE1       LYS  28  -9.093   5.029  -6.065
  206   1HZ   LYS  28          HZ1       LYS  28  -8.017   7.125  -6.269
  207   2HZ   LYS  28          HZ2       LYS  28  -9.106   6.998  -7.565
  208   3HZ   LYS  28          HZ3       LYS  28  -7.451   6.763  -7.826
  209    H    CYS  29           HN       CYS  29  -5.154   3.365  -3.995
  210    HA   CYS  29           HA       CYS  29  -4.631   2.496  -1.284
  211   1HB   CYS  29          HB2       CYS  29  -4.757   0.543  -3.010
  212   2HB   CYS  29          HB1       CYS  29  -3.140   1.087  -3.427
  213    H    LYS  30           HN       LYS  30  -2.811   3.186  -0.433
  214    HA   LYS  30           HA       LYS  30  -0.874   4.581  -2.163
  215   1HB   LYS  30          HB2       LYS  30  -2.385   6.075  -0.742
  216   2HB   LYS  30          HB1       LYS  30  -1.555   5.391   0.635
  217   1HG   LYS  30          HG2       LYS  30   0.589   6.193  -0.365
  218   2HG   LYS  30          HG1       LYS  30  -0.378   7.070  -1.544
  219   1HD   LYS  30          HD2       LYS  30  -0.467   7.413   1.441
  220   2HD   LYS  30          HD1       LYS  30   0.264   8.523   0.289
  221   1HE   LYS  30          HE2       LYS  30  -2.656   7.802   0.419
  222   2HE   LYS  30          HE1       LYS  30  -1.940   9.297   1.019
  223   1HZ   LYS  30          HZ1       LYS  30  -2.029   8.386  -1.800
  224   2HZ   LYS  30          HZ2       LYS  30  -1.202   9.764  -1.261
  225   3HZ   LYS  30          HZ3       LYS  30  -2.889   9.675  -1.120
  226    H    CYS  31           HN       CYS  31   1.325   4.443  -1.408
  227    HA   CYS  31           HA       CYS  31   1.804   2.210   0.383
  228   1HB   CYS  31          HB2       CYS  31   3.540   3.684  -1.569
  229   2HB   CYS  31          HB1       CYS  31   4.112   2.440  -0.511
  230    H    ASN  32           HN       ASN  32   3.896   2.509   1.626
  231    HA   ASN  32           HA       ASN  32   3.775   5.034   3.089
  232   1HB   ASN  32          HB2       ASN  32   3.875   2.757   4.256
  233   2HB   ASN  32          HB1       ASN  32   5.543   2.669   3.722
  234   1HD2  ASN  32          1HD2      ASN  32   7.031   4.124   4.559
  235   2HD2  ASN  32          2HD2      ASN  32   6.758   4.963   6.051
  236    H    ARG  33           HN       ARG  33   4.616   5.961   0.996
  237    HA   ARG  33           HA       ARG  33   7.453   5.650   0.547
  238   1HB   ARG  33          HB2       ARG  33   6.001   6.051  -1.363
  239   2HB   ARG  33          HB1       ARG  33   5.421   7.544  -0.643
  240   1HG   ARG  33          HG2       ARG  33   7.002   8.090  -2.346
  241   2HG   ARG  33          HG1       ARG  33   7.728   8.445  -0.779
  242   1HD   ARG  33          HD2       ARG  33   9.388   7.383  -2.115
  243   2HD   ARG  33          HD1       ARG  33   8.870   6.227  -0.891
  244    HE   ARG  33           HE       ARG  33   7.302   5.599  -2.994
  245   1HH1  ARG  33          1HH1      ARG  33  10.748   6.075  -2.669
  246   2HH1  ARG  33          2HH1      ARG  33  11.160   4.957  -3.932
  247   1HH2  ARG  33          1HH2      ARG  33   7.822   4.122  -4.662
  248   2HH2  ARG  33          2HH2      ARG  33   9.491   3.838  -5.073
  249    H    CYS  34           HN       CYS  34   8.893   6.645   1.720
  250    HA   CYS  34           HA       CYS  34  10.041   8.242   2.843
  251   1HB   CYS  34          HB2       CYS  34   9.206   9.895   1.243
  252   2HB   CYS  34          HB1       CYS  34   7.717  10.057   2.165
  253    HG   CYS  34           HG       CYS  34   8.884  11.243   4.363
  Start of MODEL    8
    1   1H    ALA   1           HT1      ALA   1  -2.816  -1.550  -9.352
    2   2H    ALA   1           HT2      ALA   1  -1.201  -1.532  -8.841
    3   3H    ALA   1           HT3      ALA   1  -2.224  -0.238  -8.462
    4    HA   ALA   1           HA       ALA   1  -2.510  -3.009  -7.485
    5   1HB   ALA   1          HB1       ALA   1  -1.873  -2.133  -5.316
    6   2HB   ALA   1          HB2       ALA   1  -1.673  -0.526  -6.004
    7   3HB   ALA   1          HB3       ALA   1  -0.600  -1.830  -6.500
    8    H    SER   2           HN       SER   2  -4.278  -3.415  -6.239
    9    HA   SER   2           HA       SER   2  -6.166  -1.253  -5.682
   10   1HB   SER   2          HB2       SER   2  -6.792  -2.430  -7.850
   11   2HB   SER   2          HB1       SER   2  -7.046  -3.887  -6.889
   12    HG   SER   2           HG       SER   2  -8.498  -1.480  -6.924
   13    H    CYS   3           HN       CYS   3  -7.162  -1.532  -3.689
   14    HA   CYS   3           HA       CYS   3  -6.336  -3.944  -2.233
   15   1HB   CYS   3          HB2       CYS   3  -6.126  -2.387  -0.250
   16   2HB   CYS   3          HB1       CYS   3  -4.890  -2.250  -1.486
   17    H    ARG   4           HN       ARG   4  -7.603  -4.664  -0.581
   18    HA   ARG   4           HA       ARG   4 -10.209  -3.414  -0.190
   19   1HB   ARG   4          HB2       ARG   4  -9.021  -6.097   0.425
   20   2HB   ARG   4          HB1       ARG   4 -10.397  -5.530   1.344
   21   1HG   ARG   4          HG2       ARG   4 -10.362  -5.747  -1.645
   22   2HG   ARG   4          HG1       ARG   4 -10.966  -7.008  -0.565
   23   1HD   ARG   4          HD2       ARG   4 -12.001  -4.178  -0.629
   24   2HD   ARG   4          HD1       ARG   4 -12.739  -5.523  -1.498
   25    HE   ARG   4           HE       ARG   4 -12.801  -6.509   0.930
   26   1HH1  ARG   4          1HH1      ARG   4 -13.500  -3.246  -0.098
   27   2HH1  ARG   4          2HH1      ARG   4 -14.640  -2.943   1.166
   28   1HH2  ARG   4          1HH2      ARG   4 -14.320  -6.131   2.599
   29   2HH2  ARG   4          2HH2      ARG   4 -15.125  -4.589   2.688
   30    H    THR   5           HN       THR   5  -7.206  -4.257   1.325
   31    HA   THR   5           HA       THR   5  -7.709  -2.319   3.439
   32    HB   THR   5           HB       THR   5  -6.542  -3.817   5.072
   33    HG1  THR   5           HG1      THR   5  -6.563  -5.510   2.834
   34   1HG2  THR   5          1HG2      THR   5  -8.459  -5.279   5.513
   35   2HG2  THR   5          2HG2      THR   5  -9.088  -4.934   3.904
   36   3HG2  THR   5          3HG2      THR   5  -8.977  -3.645   5.098
   37    HA   PRO   6           HA       PRO   6  -3.527  -0.849   2.813
   38   1HB   PRO   6          HB2       PRO   6  -2.718  -1.713   5.538
   39   2HB   PRO   6          HB1       PRO   6  -2.652  -0.127   4.795
   40   1HG   PRO   6          HG2       PRO   6  -4.462  -0.661   6.636
   41   2HG   PRO   6          HG1       PRO   6  -4.859   0.338   5.228
   42   1HD   PRO   6          HD2       PRO   6  -5.483  -2.519   5.737
   43   2HD   PRO   6          HD1       PRO   6  -6.496  -1.253   5.018
   44    H    LYS   7           HN       LYS   7  -3.547  -3.859   4.722
   45    HA   LYS   7           HA       LYS   7  -0.994  -4.740   4.071
   46   1HB   LYS   7          HB2       LYS   7  -2.382  -5.712   5.872
   47   2HB   LYS   7          HB1       LYS   7  -3.425  -6.441   4.657
   48   1HG   LYS   7          HG2       LYS   7  -1.938  -8.118   5.474
   49   2HG   LYS   7          HG1       LYS   7  -1.463  -7.716   3.822
   50   1HD   LYS   7          HD2       LYS   7   0.568  -7.768   4.914
   51   2HD   LYS   7          HD1       LYS   7   0.164  -6.053   4.973
   52   1HE   LYS   7          HE2       LYS   7   0.955  -6.713   7.134
   53   2HE   LYS   7          HE1       LYS   7  -0.769  -6.418   7.247
   54   1HZ   LYS   7          HZ1       LYS   7  -1.160  -8.793   7.129
   55   2HZ   LYS   7          HZ2       LYS   7  -0.108  -8.445   8.411
   56   3HZ   LYS   7          HZ3       LYS   7   0.494  -9.088   6.966
   57    H    ASP   8           HN       ASP   8  -3.918  -4.747   2.217
   58    HA   ASP   8           HA       ASP   8  -3.506  -6.804   0.404
   59   1HB   ASP   8          HB2       ASP   8  -4.800  -4.127   0.166
   60   2HB   ASP   8          HB1       ASP   8  -4.544  -5.071  -1.287
   61    H    CYS   9           HN       CYS   9  -2.132  -3.561   0.326
   62    HA   CYS   9           HA       CYS   9  -0.603  -4.320  -2.040
   63   1HB   CYS   9          HB2       CYS   9  -1.164  -1.561  -0.977
   64   2HB   CYS   9          HB1       CYS   9  -0.386  -1.963  -2.490
   65    H    ALA  10           HN       ALA  10  -0.011  -4.651   1.004
   66    HA   ALA  10           HA       ALA  10   2.352  -3.114   1.393
   67   1HB   ALA  10          HB1       ALA  10   1.526  -5.689   2.733
   68   2HB   ALA  10          HB2       ALA  10   1.101  -4.069   3.281
   69   3HB   ALA  10          HB3       ALA  10   2.787  -4.589   3.288
   70    H    ASP  11           HN       ASP  11   1.626  -6.262   0.058
   71    HA   ASP  11           HA       ASP  11   4.369  -6.952  -0.403
   72   1HB   ASP  11          HB2       ASP  11   2.560  -8.660  -0.175
   73   2HB   ASP  11          HB1       ASP  11   1.898  -8.109  -1.697
   74    HA   PRO  12           HA       PRO  12   2.893  -5.335  -4.979
   75   1HB   PRO  12          HB2       PRO  12   1.116  -3.400  -3.544
   76   2HB   PRO  12          HB1       PRO  12   1.009  -3.996  -5.202
   77   1HG   PRO  12          HG2       PRO  12  -0.510  -4.999  -3.233
   78   2HG   PRO  12          HG1       PRO  12   0.075  -5.993  -4.571
   79   1HD   PRO  12          HD2       PRO  12   0.857  -6.052  -1.739
   80   2HD   PRO  12          HD1       PRO  12   1.118  -7.255  -3.013
   81    H    CYS  13           HN       CYS  13   2.820  -3.037  -2.178
   82    HA   CYS  13           HA       CYS  13   4.513  -1.176  -3.506
   83   1HB   CYS  13          HB2       CYS  13   3.124  -0.634  -1.482
   84   2HB   CYS  13          HB1       CYS  13   4.285  -1.524  -0.517
   85    H    ARG  14           HN       ARG  14   5.170  -3.865  -1.365
   86    HA   ARG  14           HA       ARG  14   7.951  -3.494  -1.188
   87   1HB   ARG  14          HB2       ARG  14   6.789  -4.996   0.313
   88   2HB   ARG  14          HB1       ARG  14   6.305  -6.024  -1.018
   89   1HG   ARG  14          HG2       ARG  14   8.543  -6.760  -1.362
   90   2HG   ARG  14          HG1       ARG  14   9.168  -5.566  -0.222
   91   1HD   ARG  14          HD2       ARG  14   9.063  -7.812   0.755
   92   2HD   ARG  14          HD1       ARG  14   8.025  -6.668   1.601
   93    HE   ARG  14           HE       ARG  14   6.731  -8.269  -0.437
   94   1HH1  ARG  14          1HH1      ARG  14   7.540  -7.917   2.941
   95   2HH1  ARG  14          2HH1      ARG  14   6.261  -8.962   3.493
   96   1HH2  ARG  14          1HH2      ARG  14   5.045  -9.663   0.262
   97   2HH2  ARG  14          2HH2      ARG  14   4.847  -9.963   1.972
   98    H    LYS  15           HN       LYS  15   5.960  -4.846  -3.694
   99    HA   LYS  15           HA       LYS  15   8.198  -5.830  -5.241
  100   1HB   LYS  15          HB2       LYS  15   6.046  -6.884  -5.511
  101   2HB   LYS  15          HB1       LYS  15   5.287  -5.341  -5.878
  102   1HG   LYS  15          HG2       LYS  15   6.669  -5.230  -7.951
  103   2HG   LYS  15          HG1       LYS  15   7.234  -6.867  -7.595
  104   1HD   LYS  15          HD2       LYS  15   5.361  -6.881  -9.183
  105   2HD   LYS  15          HD1       LYS  15   4.937  -7.689  -7.674
  106   1HE   LYS  15          HE2       LYS  15   3.099  -6.294  -8.350
  107   2HE   LYS  15          HE1       LYS  15   3.845  -5.595  -6.916
  108   1HZ   LYS  15          HZ1       LYS  15   3.673  -3.747  -8.204
  109   2HZ   LYS  15          HZ2       LYS  15   3.797  -4.605  -9.662
  110   3HZ   LYS  15          HZ3       LYS  15   5.186  -4.287  -8.752
  111    H    GLU  16           HN       GLU  16   6.164  -3.010  -5.087
  112    HA   GLU  16           HA       GLU  16   6.963  -1.721  -7.461
  113   1HB   GLU  16          HB2       GLU  16   5.131  -1.393  -5.354
  114   2HB   GLU  16          HB1       GLU  16   6.102   0.047  -5.381
  115   1HG   GLU  16          HG2       GLU  16   4.071   0.278  -6.715
  116   2HG   GLU  16          HG1       GLU  16   5.532   0.459  -7.684
  117    H    THR  17           HN       THR  17   7.576  -0.877  -4.084
  118    HA   THR  17           HA       THR  17  10.018   0.540  -4.950
  119    HB   THR  17           HB       THR  17   8.243   1.563  -2.742
  120    HG1  THR  17           HG1      THR  17   7.313   2.941  -4.397
  121   1HG2  THR  17          1HG2      THR  17  10.507   2.490  -2.918
  122   2HG2  THR  17          2HG2      THR  17   9.293   3.704  -3.318
  123   3HG2  THR  17          3HG2      THR  17  10.206   2.915  -4.604
  124    H    GLY  18           HN       GLY  18   9.064  -2.019  -3.429
  125   1HA   GLY  18          HA2       GLY  18  10.086  -3.428  -1.969
  126   2HA   GLY  18          HA1       GLY  18  11.432  -2.303  -1.908
  127    H    CYS  19           HN       CYS  19   8.327  -1.086  -1.100
  128    HA   CYS  19           HA       CYS  19   9.079  -1.060   1.723
  129   1HB   CYS  19          HB2       CYS  19   7.070   0.697   0.317
  130   2HB   CYS  19          HB1       CYS  19   7.753   0.917   1.917
  131    HG   CYS  19           HG       CYS  19   9.968   0.895  -0.616
  132    HA   PRO  20           HA       PRO  20   5.521  -3.870   1.850
  133   1HB   PRO  20          HB2       PRO  20   6.074  -4.985   4.236
  134   2HB   PRO  20          HB1       PRO  20   6.973  -5.424   2.779
  135   1HG   PRO  20          HG2       PRO  20   7.734  -3.538   4.978
  136   2HG   PRO  20          HG1       PRO  20   8.726  -4.764   4.165
  137   1HD   PRO  20          HD2       PRO  20   8.802  -2.103   3.548
  138   2HD   PRO  20          HD1       PRO  20   9.172  -3.390   2.382
  139    H    TYR  21           HN       TYR  21   5.008  -1.204   2.313
  140    HA   TYR  21           HA       TYR  21   3.509  -1.203   4.826
  141   1HB   TYR  21          HB2       TYR  21   5.275   0.974   3.733
  142   2HB   TYR  21          HB1       TYR  21   4.124   1.202   5.029
  143    HD1  TYR  21           HD1      TYR  21   4.466  -1.049   6.765
  144    HD2  TYR  21           HD2      TYR  21   7.413   1.099   4.578
  145    HE1  TYR  21           HE1      TYR  21   6.168  -1.711   8.411
  146    HE2  TYR  21           HE2      TYR  21   9.122   0.434   6.215
  147    HH   TYR  21           HH       TYR  21   9.082  -0.233   8.720
  148    H    GLY  22           HN       GLY  22   2.203   1.032   4.746
  149   1HA   GLY  22          HA2       GLY  22   1.348   2.609   2.986
  150   2HA   GLY  22          HA1       GLY  22   0.947   1.153   2.101
  151    H    LYS  23           HN       LYS  23  -0.937   2.982   2.537
  152    HA   LYS  23           HA       LYS  23  -2.769   1.572   4.355
  153   1HB   LYS  23          HB2       LYS  23  -1.879   3.990   5.042
  154   2HB   LYS  23          HB1       LYS  23  -3.068   4.503   3.856
  155   1HG   LYS  23          HG2       LYS  23  -4.013   4.588   6.063
  156   2HG   LYS  23          HG1       LYS  23  -4.819   3.345   5.108
  157   1HD   LYS  23          HD2       LYS  23  -4.334   2.635   7.429
  158   2HD   LYS  23          HD1       LYS  23  -3.570   1.612   6.213
  159   1HE   LYS  23          HE2       LYS  23  -2.072   2.112   8.097
  160   2HE   LYS  23          HE1       LYS  23  -1.447   2.713   6.565
  161   1HZ   LYS  23          HZ1       LYS  23  -2.072   4.920   7.144
  162   2HZ   LYS  23          HZ2       LYS  23  -1.226   4.274   8.464
  163   3HZ   LYS  23          HZ3       LYS  23  -2.918   4.403   8.519
  164    H    CYS  24           HN       CYS  24  -5.004   1.684   3.549
  165    HA   CYS  24           HA       CYS  24  -4.930   1.900   0.620
  166   1HB   CYS  24          HB2       CYS  24  -5.480  -0.314   1.488
  167   2HB   CYS  24          HB1       CYS  24  -6.765   0.354   2.477
  168    H    MET  25           HN       MET  25  -6.357   3.171  -0.492
  169    HA   MET  25           HA       MET  25  -8.005   4.990   1.118
  170   1HB   MET  25          HB2       MET  25  -6.364   5.862  -0.612
  171   2HB   MET  25          HB1       MET  25  -7.416   5.151  -1.814
  172   1HG   MET  25          HG2       MET  25  -9.212   6.619  -1.192
  173   2HG   MET  25          HG1       MET  25  -8.259   7.262   0.137
  174   1HE   MET  25          HE1       MET  25  -8.760   9.724  -0.717
  175   2HE   MET  25          HE2       MET  25  -9.710   9.063  -2.047
  176   3HE   MET  25          HE3       MET  25  -8.460  10.264  -2.366
  177    H    ASN  26           HN       ASN  26 -10.129   5.546  -0.162
  178    HA   ASN  26           HA       ASN  26 -11.889   3.610   0.219
  179   1HB   ASN  26          HB2       ASN  26 -12.662   5.794  -0.302
  180   2HB   ASN  26          HB1       ASN  26 -12.019   5.679  -1.932
  181   1HD2  ASN  26          1HD2      ASN  26 -14.494   4.484   0.242
  182   2HD2  ASN  26          2HD2      ASN  26 -15.586   3.961  -0.985
  183    H    ARG  27           HN       ARG  27 -10.125   3.860  -2.844
  184    HA   ARG  27           HA       ARG  27 -10.918   1.078  -3.270
  185   1HB   ARG  27          HB2       ARG  27 -12.344   2.648  -4.636
  186   2HB   ARG  27          HB1       ARG  27 -10.887   3.092  -5.512
  187   1HG   ARG  27          HG2       ARG  27 -12.050   1.480  -6.810
  188   2HG   ARG  27          HG1       ARG  27 -10.622   0.690  -6.142
  189   1HD   ARG  27          HD2       ARG  27 -13.351   0.507  -4.879
  190   2HD   ARG  27          HD1       ARG  27 -12.768  -0.642  -6.074
  191    HE   ARG  27           HE       ARG  27 -10.915  -1.093  -4.439
  192   1HH1  ARG  27          1HH1      ARG  27 -14.030   0.096  -3.384
  193   2HH1  ARG  27          2HH1      ARG  27 -13.897  -0.575  -1.790
  194   1HH2  ARG  27          1HH2      ARG  27 -10.726  -1.983  -2.352
  195   2HH2  ARG  27          2HH2      ARG  27 -12.008  -1.749  -1.196
  196    H    LYS  28           HN       LYS  28  -8.349   3.093  -2.836
  197    HA   LYS  28           HA       LYS  28  -6.585   1.323  -4.312
  198   1HB   LYS  28          HB2       LYS  28  -6.459   4.277  -4.728
  199   2HB   LYS  28          HB1       LYS  28  -5.339   3.107  -5.349
  200   1HG   LYS  28          HG2       LYS  28  -7.371   2.095  -6.558
  201   2HG   LYS  28          HG1       LYS  28  -8.137   3.650  -6.222
  202   1HD   LYS  28          HD2       LYS  28  -5.579   3.189  -7.751
  203   2HD   LYS  28          HD1       LYS  28  -7.129   3.707  -8.419
  204   1HE   LYS  28          HE2       LYS  28  -5.538   5.260  -6.387
  205   2HE   LYS  28          HE1       LYS  28  -5.489   5.550  -8.123
  206   1HZ   LYS  28          HZ1       LYS  28  -6.998   7.066  -6.993
  207   2HZ   LYS  28          HZ2       LYS  28  -7.915   5.756  -6.417
  208   3HZ   LYS  28          HZ3       LYS  28  -7.835   6.069  -8.082
  209    H    CYS  29           HN       CYS  29  -4.629   1.163  -3.450
  210    HA   CYS  29           HA       CYS  29  -4.291   2.138  -0.793
  211   1HB   CYS  29          HB2       CYS  29  -2.172   0.633  -1.177
  212   2HB   CYS  29          HB1       CYS  29  -3.749  -0.087  -0.921
  213    H    LYS  30           HN       LYS  30  -2.835   3.559  -0.117
  214    HA   LYS  30           HA       LYS  30  -0.752   4.416  -2.011
  215   1HB   LYS  30          HB2       LYS  30  -2.398   6.212  -1.329
  216   2HB   LYS  30          HB1       LYS  30  -1.745   6.043   0.281
  217   1HG   LYS  30          HG2       LYS  30   0.351   6.844  -0.327
  218   2HG   LYS  30          HG1       LYS  30   0.023   6.637  -2.043
  219   1HD   LYS  30          HD2       LYS  30  -1.418   8.590  -0.261
  220   2HD   LYS  30          HD1       LYS  30  -0.035   9.007  -1.269
  221   1HE   LYS  30          HE2       LYS  30  -2.707   7.963  -2.198
  222   2HE   LYS  30          HE1       LYS  30  -2.090   9.604  -2.400
  223   1HZ   LYS  30          HZ1       LYS  30  -1.793   8.407  -4.434
  224   2HZ   LYS  30          HZ2       LYS  30  -1.014   7.126  -3.648
  225   3HZ   LYS  30          HZ3       LYS  30  -0.261   8.648  -3.744
  226    H    CYS  31           HN       CYS  31   1.303   4.372  -1.292
  227    HA   CYS  31           HA       CYS  31   1.597   2.780   1.150
  228   1HB   CYS  31          HB2       CYS  31   2.201   1.486  -0.709
  229   2HB   CYS  31          HB1       CYS  31   3.164   2.769  -1.411
  230    H    ASN  32           HN       ASN  32   3.805   2.873   2.061
  231    HA   ASN  32           HA       ASN  32   4.271   5.625   2.820
  232   1HB   ASN  32          HB2       ASN  32   4.240   3.676   4.451
  233   2HB   ASN  32          HB1       ASN  32   5.781   3.183   3.764
  234   1HD2  ASN  32          1HD2      ASN  32   5.197   3.939   6.480
  235   2HD2  ASN  32          2HD2      ASN  32   6.203   5.307   6.832
  236    H    ARG  33           HN       ARG  33   4.854   5.807   0.404
  237    HA   ARG  33           HA       ARG  33   7.639   5.304  -0.175
  238   1HB   ARG  33          HB2       ARG  33   5.405   5.789  -1.715
  239   2HB   ARG  33          HB1       ARG  33   6.252   7.326  -1.791
  240   1HG   ARG  33          HG2       ARG  33   7.368   4.636  -2.555
  241   2HG   ARG  33          HG1       ARG  33   6.868   5.918  -3.655
  242   1HD   ARG  33          HD2       ARG  33   9.099   6.099  -1.637
  243   2HD   ARG  33          HD1       ARG  33   9.297   5.852  -3.370
  244    HE   ARG  33           HE       ARG  33   7.794   8.191  -2.951
  245   1HH1  ARG  33          1HH1      ARG  33  11.030   6.968  -2.491
  246   2HH1  ARG  33          2HH1      ARG  33  11.788   8.525  -2.639
  247   1HH2  ARG  33          1HH2      ARG  33   8.754  10.235  -3.142
  248   2HH2  ARG  33          2HH2      ARG  33  10.488  10.397  -3.011
  249    H    CYS  34           HN       CYS  34   8.206   6.378   1.923
  250    HA   CYS  34           HA       CYS  34   7.955   9.255   2.036
  251   1HB   CYS  34          HB2       CYS  34   7.803   7.708   4.043
  252   2HB   CYS  34          HB1       CYS  34   9.539   7.467   3.885
  253    HG   CYS  34           HG       CYS  34   7.837  10.132   5.051
  Start of MODEL    9
    1   1H    ALA   1           HT1      ALA   1  -2.713   0.392  -7.523
    2   2H    ALA   1           HT2      ALA   1  -3.345  -0.469  -8.833
    3   3H    ALA   1           HT3      ALA   1  -1.686  -0.554  -8.481
    4    HA   ALA   1           HA       ALA   1  -2.845  -2.548  -7.761
    5   1HB   ALA   1          HB1       ALA   1  -0.848  -1.738  -6.560
    6   2HB   ALA   1          HB2       ALA   1  -1.964  -2.615  -5.514
    7   3HB   ALA   1          HB3       ALA   1  -1.901  -0.854  -5.456
    8    H    SER   2           HN       SER   2  -4.855  -3.224  -7.444
    9    HA   SER   2           HA       SER   2  -6.830  -1.499  -6.232
   10   1HB   SER   2          HB2       SER   2  -8.297  -3.593  -6.685
   11   2HB   SER   2          HB1       SER   2  -7.675  -2.689  -8.066
   12    HG   SER   2           HG       SER   2  -6.911  -4.561  -8.653
   13    H    CYS   3           HN       CYS   3  -6.352  -1.296  -4.084
   14    HA   CYS   3           HA       CYS   3  -5.715  -3.615  -2.487
   15   1HB   CYS   3          HB2       CYS   3  -5.811  -1.894  -0.601
   16   2HB   CYS   3          HB1       CYS   3  -4.553  -1.702  -1.814
   17    H    ARG   4           HN       ARG   4  -6.866  -4.448  -0.854
   18    HA   ARG   4           HA       ARG   4  -9.715  -3.877  -0.776
   19   1HB   ARG   4          HB2       ARG   4  -8.005  -6.145   0.213
   20   2HB   ARG   4          HB1       ARG   4  -9.717  -6.015   0.543
   21   1HG   ARG   4          HG2       ARG   4 -10.304  -6.300  -1.705
   22   2HG   ARG   4          HG1       ARG   4  -8.659  -5.973  -2.249
   23   1HD   ARG   4          HD2       ARG   4  -9.456  -8.351  -0.588
   24   2HD   ARG   4          HD1       ARG   4  -9.323  -8.368  -2.346
   25    HE   ARG   4           HE       ARG   4  -6.939  -7.420  -1.071
   26   1HH1  ARG   4          1HH1      ARG   4  -8.720 -10.287  -2.017
   27   2HH1  ARG   4          2HH1      ARG   4  -7.311 -11.303  -2.075
   28   1HH2  ARG   4          1HH2      ARG   4  -5.095  -8.745  -1.096
   29   2HH2  ARG   4          2HH2      ARG   4  -5.244 -10.434  -1.514
   30    H    THR   5           HN       THR   5  -6.824  -3.921   1.118
   31    HA   THR   5           HA       THR   5  -8.000  -2.094   3.020
   32    HB   THR   5           HB       THR   5  -6.907  -3.381   4.928
   33    HG1  THR   5           HG1      THR   5  -7.222  -5.702   3.351
   34   1HG2  THR   5          1HG2      THR   5  -8.816  -4.897   5.252
   35   2HG2  THR   5          2HG2      THR   5  -9.285  -4.653   3.570
   36   3HG2  THR   5          3HG2      THR   5  -9.334  -3.304   4.702
   37    HA   PRO   6           HA       PRO   6  -4.001  -0.131   3.058
   38   1HB   PRO   6          HB2       PRO   6  -3.805  -0.691   5.982
   39   2HB   PRO   6          HB1       PRO   6  -3.620   0.817   5.112
   40   1HG   PRO   6          HG2       PRO   6  -5.820   0.385   6.461
   41   2HG   PRO   6          HG1       PRO   6  -5.905   1.117   4.845
   42   1HD   PRO   6          HD2       PRO   6  -6.414  -1.695   5.673
   43   2HD   PRO   6          HD1       PRO   6  -7.330  -0.678   4.550
   44    H    LYS   7           HN       LYS   7  -3.945  -2.854   5.372
   45    HA   LYS   7           HA       LYS   7  -1.212  -3.392   4.839
   46   1HB   LYS   7          HB2       LYS   7  -3.310  -4.910   6.371
   47   2HB   LYS   7          HB1       LYS   7  -1.663  -5.502   6.183
   48   1HG   LYS   7          HG2       LYS   7  -2.469  -2.903   7.470
   49   2HG   LYS   7          HG1       LYS   7  -1.959  -4.364   8.315
   50   1HD   LYS   7          HD2       LYS   7  -0.271  -2.761   6.386
   51   2HD   LYS   7          HD1       LYS   7  -0.139  -2.719   8.144
   52   1HE   LYS   7          HE2       LYS   7   0.400  -5.123   8.132
   53   2HE   LYS   7          HE1       LYS   7   0.333  -5.114   6.370
   54   1HZ   LYS   7          HZ1       LYS   7   2.166  -3.529   6.352
   55   2HZ   LYS   7          HZ2       LYS   7   2.599  -4.946   7.165
   56   3HZ   LYS   7          HZ3       LYS   7   2.229  -3.551   8.044
   57    H    ASP   8           HN       ASP   8  -4.046  -4.134   3.166
   58    HA   ASP   8           HA       ASP   8  -3.213  -6.628   2.060
   59   1HB   ASP   8          HB2       ASP   8  -5.556  -6.075   1.999
   60   2HB   ASP   8          HB1       ASP   8  -5.231  -4.602   1.098
   61    H    CYS   9           HN       CYS   9  -2.880  -3.261   1.101
   62    HA   CYS   9           HA       CYS   9  -1.538  -4.009  -1.336
   63   1HB   CYS   9          HB2       CYS   9  -1.021  -1.385  -1.195
   64   2HB   CYS   9          HB1       CYS   9  -2.505  -2.044  -1.848
   65    H    ALA  10           HN       ALA  10  -0.566  -3.896   1.812
   66    HA   ALA  10           HA       ALA  10   1.905  -2.588   1.601
   67   1HB   ALA  10          HB1       ALA  10   2.503  -3.745   3.669
   68   2HB   ALA  10          HB2       ALA  10   1.133  -4.837   3.466
   69   3HB   ALA  10          HB3       ALA  10   0.856  -3.118   3.757
   70    H    ASP  11           HN       ASP  11   0.856  -5.675   0.507
   71    HA   ASP  11           HA       ASP  11   3.528  -6.709   0.194
   72   1HB   ASP  11          HB2       ASP  11   1.531  -8.175   0.597
   73   2HB   ASP  11          HB1       ASP  11   0.972  -7.776  -1.012
   74    HA   PRO  12           HA       PRO  12   2.537  -5.608  -4.488
   75   1HB   PRO  12          HB2       PRO  12   0.584  -3.615  -4.617
   76   2HB   PRO  12          HB1       PRO  12   0.390  -5.296  -5.114
   77   1HG   PRO  12          HG2       PRO  12  -0.428  -3.951  -2.602
   78   2HG   PRO  12          HG1       PRO  12  -1.201  -5.284  -3.477
   79   1HD   PRO  12          HD2       PRO  12   0.183  -5.682  -1.207
   80   2HD   PRO  12          HD1       PRO  12   0.156  -6.872  -2.523
   81    H    CYS  13           HN       CYS  13   1.899  -3.036  -2.046
   82    HA   CYS  13           HA       CYS  13   3.357  -1.033  -3.367
   83   1HB   CYS  13          HB2       CYS  13   2.810  -1.509  -0.440
   84   2HB   CYS  13          HB1       CYS  13   3.541  -0.057  -1.069
   85    H    ARG  14           HN       ARG  14   4.402  -3.613  -1.219
   86    HA   ARG  14           HA       ARG  14   7.085  -2.792  -1.004
   87   1HB   ARG  14          HB2       ARG  14   6.125  -4.429   0.503
   88   2HB   ARG  14          HB1       ARG  14   5.818  -5.535  -0.822
   89   1HG   ARG  14          HG2       ARG  14   8.254  -5.741  -1.163
   90   2HG   ARG  14          HG1       ARG  14   8.511  -4.696   0.230
   91   1HD   ARG  14          HD2       ARG  14   8.724  -7.069   0.809
   92   2HD   ARG  14          HD1       ARG  14   7.393  -6.297   1.663
   93    HE   ARG  14           HE       ARG  14   5.862  -7.463   0.260
   94   1HH1  ARG  14          1HH1      ARG  14   9.204  -8.400  -0.187
   95   2HH1  ARG  14          2HH1      ARG  14   8.804  -9.925  -0.920
   96   1HH2  ARG  14          1HH2      ARG  14   5.323  -9.483  -0.645
   97   2HH2  ARG  14          2HH2      ARG  14   6.599 -10.562  -1.143
   98    H    LYS  15           HN       LYS  15   5.351  -4.086  -3.656
   99    HA   LYS  15           HA       LYS  15   7.831  -4.905  -5.007
  100   1HB   LYS  15          HB2       LYS  15   5.804  -6.374  -5.169
  101   2HB   LYS  15          HB1       LYS  15   4.969  -5.053  -5.978
  102   1HG   LYS  15          HG2       LYS  15   6.872  -5.136  -7.688
  103   2HG   LYS  15          HG1       LYS  15   7.270  -6.698  -6.972
  104   1HD   LYS  15          HD2       LYS  15   5.871  -7.373  -8.650
  105   2HD   LYS  15          HD1       LYS  15   4.699  -7.142  -7.349
  106   1HE   LYS  15          HE2       LYS  15   5.365  -5.083  -9.455
  107   2HE   LYS  15          HE1       LYS  15   3.983  -6.168  -9.520
  108   1HZ   LYS  15          HZ1       LYS  15   3.159  -5.179  -7.473
  109   2HZ   LYS  15          HZ2       LYS  15   3.353  -4.002  -8.687
  110   3HZ   LYS  15          HZ3       LYS  15   4.483  -4.122  -7.433
  111    H    GLU  16           HN       GLU  16   5.263  -2.622  -4.960
  112    HA   GLU  16           HA       GLU  16   5.798  -1.418  -7.488
  113   1HB   GLU  16          HB2       GLU  16   3.568  -1.564  -6.458
  114   2HB   GLU  16          HB1       GLU  16   4.106  -0.506  -5.163
  115   1HG   GLU  16          HG2       GLU  16   2.825   0.758  -6.744
  116   2HG   GLU  16          HG1       GLU  16   4.515   1.253  -6.857
  117    H    THR  17           HN       THR  17   6.353  -0.524  -4.100
  118    HA   THR  17           HA       THR  17   8.091   1.650  -5.065
  119    HB   THR  17           HB       THR  17   6.753   1.451  -2.354
  120    HG1  THR  17           HG1      THR  17   6.013   2.787  -4.757
  121   1HG2  THR  17          1HG2      THR  17   7.384   3.821  -2.157
  122   2HG2  THR  17          2HG2      THR  17   8.220   3.718  -3.708
  123   3HG2  THR  17          3HG2      THR  17   8.795   2.779  -2.331
  124    H    GLY  18           HN       GLY  18   7.722  -1.045  -2.880
  125   1HA   GLY  18          HA2       GLY  18   9.689  -2.494  -2.713
  126   2HA   GLY  18          HA1       GLY  18  10.652  -1.035  -2.501
  127    H    CYS  19           HN       CYS  19   8.164  -0.137  -0.867
  128    HA   CYS  19           HA       CYS  19   9.184  -1.162   1.655
  129   1HB   CYS  19          HB2       CYS  19   7.333   1.162   1.113
  130   2HB   CYS  19          HB1       CYS  19   8.074   0.754   2.650
  131    HG   CYS  19           HG       CYS  19  10.517   1.047   0.546
  132    HA   PRO  20           HA       PRO  20   5.436  -3.578   1.891
  133   1HB   PRO  20          HB2       PRO  20   5.881  -4.735   4.277
  134   2HB   PRO  20          HB1       PRO  20   6.832  -5.167   2.848
  135   1HG   PRO  20          HG2       PRO  20   7.538  -3.351   5.119
  136   2HG   PRO  20          HG1       PRO  20   8.543  -4.560   4.301
  137   1HD   PRO  20          HD2       PRO  20   8.644  -1.869   3.774
  138   2HD   PRO  20          HD1       PRO  20   9.096  -3.126   2.606
  139    H    TYR  21           HN       TYR  21   5.336  -0.755   2.676
  140    HA   TYR  21           HA       TYR  21   3.383  -0.926   4.845
  141   1HB   TYR  21          HB2       TYR  21   5.144   1.434   4.213
  142   2HB   TYR  21          HB1       TYR  21   4.035   1.268   5.551
  143    HD1  TYR  21           HD1      TYR  21   4.533  -0.587   7.271
  144    HD2  TYR  21           HD2      TYR  21   7.391   0.876   4.488
  145    HE1  TYR  21           HE1      TYR  21   6.343  -1.482   8.675
  146    HE2  TYR  21           HE2      TYR  21   9.212  -0.007   5.884
  147    HH   TYR  21           HH       TYR  21   8.673  -2.201   8.434
  148    H    GLY  22           HN       GLY  22   1.904   1.045   4.740
  149   1HA   GLY  22          HA2       GLY  22   1.260   2.727   2.860
  150   2HA   GLY  22          HA1       GLY  22   0.972   1.232   1.986
  151    H    LYS  23           HN       LYS  23  -0.827   3.418   2.849
  152    HA   LYS  23           HA       LYS  23  -2.771   1.733   4.282
  153   1HB   LYS  23          HB2       LYS  23  -1.823   4.311   4.915
  154   2HB   LYS  23          HB1       LYS  23  -3.464   4.496   4.316
  155   1HG   LYS  23          HG2       LYS  23  -4.291   2.951   5.978
  156   2HG   LYS  23          HG1       LYS  23  -2.645   2.648   6.546
  157   1HD   LYS  23          HD2       LYS  23  -4.085   5.297   6.621
  158   2HD   LYS  23          HD1       LYS  23  -3.803   4.232   8.000
  159   1HE   LYS  23          HE2       LYS  23  -1.458   4.557   7.880
  160   2HE   LYS  23          HE1       LYS  23  -1.580   5.352   6.313
  161   1HZ   LYS  23          HZ1       LYS  23  -2.640   6.415   8.870
  162   2HZ   LYS  23          HZ2       LYS  23  -2.735   7.182   7.361
  163   3HZ   LYS  23          HZ3       LYS  23  -1.224   6.934   8.095
  164    H    CYS  24           HN       CYS  24  -4.697   1.444   3.281
  165    HA   CYS  24           HA       CYS  24  -4.884   2.519   0.573
  166   1HB   CYS  24          HB2       CYS  24  -5.016   0.110   0.701
  167   2HB   CYS  24          HB1       CYS  24  -6.260   0.192   1.934
  168    H    MET  25           HN       MET  25  -6.531   3.766  -0.090
  169    HA   MET  25           HA       MET  25  -8.343   4.842   1.941
  170   1HB   MET  25          HB2       MET  25  -6.947   6.296   0.355
  171   2HB   MET  25          HB1       MET  25  -8.048   5.762  -0.889
  172   1HG   MET  25          HG2       MET  25  -8.552   7.994   0.085
  173   2HG   MET  25          HG1       MET  25  -9.886   6.851   0.114
  174   1HE   MET  25          HE1       MET  25  -7.331   7.995   3.783
  175   2HE   MET  25          HE2       MET  25  -7.105   8.656   2.163
  176   3HE   MET  25          HE3       MET  25  -6.716   6.967   2.491
  177    H    ASN  26           HN       ASN  26 -10.576   5.411   0.736
  178    HA   ASN  26           HA       ASN  26 -12.183   3.342   0.768
  179   1HB   ASN  26          HB2       ASN  26 -13.031   5.565   0.347
  180   2HB   ASN  26          HB1       ASN  26 -12.384   5.519  -1.279
  181   1HD2  ASN  26          1HD2      ASN  26 -13.491   4.463  -2.866
  182   2HD2  ASN  26          2HD2      ASN  26 -15.076   3.799  -2.646
  183    H    ARG  27           HN       ARG  27 -10.617   4.209  -2.319
  184    HA   ARG  27           HA       ARG  27 -10.558   1.341  -2.887
  185   1HB   ARG  27          HB2       ARG  27 -11.695   3.445  -4.679
  186   2HB   ARG  27          HB1       ARG  27 -11.058   1.951  -5.335
  187   1HG   ARG  27          HG2       ARG  27 -13.265   2.114  -3.294
  188   2HG   ARG  27          HG1       ARG  27 -13.513   1.961  -5.033
  189   1HD   ARG  27          HD2       ARG  27 -13.695  -0.221  -4.252
  190   2HD   ARG  27          HD1       ARG  27 -12.043  -0.134  -4.860
  191    HE   ARG  27           HE       ARG  27 -11.985   0.513  -2.148
  192   1HH1  ARG  27          1HH1      ARG  27 -12.752  -2.251  -4.147
  193   2HH1  ARG  27          2HH1      ARG  27 -12.314  -3.407  -2.929
  194   1HH2  ARG  27          1HH2      ARG  27 -11.415  -1.007  -0.548
  195   2HH2  ARG  27          2HH2      ARG  27 -11.552  -2.703  -0.894
  196    H    LYS  28           HN       LYS  28  -8.618   3.754  -2.260
  197    HA   LYS  28           HA       LYS  28  -6.677   2.955  -4.310
  198   1HB   LYS  28          HB2       LYS  28  -6.866   5.783  -3.453
  199   2HB   LYS  28          HB1       LYS  28  -5.924   5.110  -4.740
  200   1HG   LYS  28          HG2       LYS  28  -8.047   4.594  -5.946
  201   2HG   LYS  28          HG1       LYS  28  -8.893   5.523  -4.699
  202   1HD   LYS  28          HD2       LYS  28  -6.763   6.508  -6.588
  203   2HD   LYS  28          HD1       LYS  28  -8.462   6.987  -6.550
  204   1HE   LYS  28          HE2       LYS  28  -8.186   8.112  -4.485
  205   2HE   LYS  28          HE1       LYS  28  -6.599   7.396  -4.222
  206   1HZ   LYS  28          HZ1       LYS  28  -6.596   9.759  -4.972
  207   2HZ   LYS  28          HZ2       LYS  28  -7.195   9.234  -6.470
  208   3HZ   LYS  28          HZ3       LYS  28  -5.674   8.707  -5.930
  209    H    CYS  29           HN       CYS  29  -4.873   2.388  -3.407
  210    HA   CYS  29           HA       CYS  29  -4.401   2.881  -0.604
  211   1HB   CYS  29          HB2       CYS  29  -4.078   0.616  -1.713
  212   2HB   CYS  29          HB1       CYS  29  -2.646   1.307  -2.456
  213    H    LYS  30           HN       LYS  30  -2.708   3.966   0.230
  214    HA   LYS  30           HA       LYS  30  -0.787   5.175  -1.636
  215   1HB   LYS  30          HB2       LYS  30  -2.496   6.572  -0.073
  216   2HB   LYS  30          HB1       LYS  30  -1.099   6.428   0.962
  217   1HG   LYS  30          HG2       LYS  30  -1.044   7.542  -1.819
  218   2HG   LYS  30          HG1       LYS  30  -1.146   8.520  -0.359
  219   1HD   LYS  30          HD2       LYS  30   1.081   6.554  -0.736
  220   2HD   LYS  30          HD1       LYS  30   1.152   8.149  -1.483
  221   1HE   LYS  30          HE2       LYS  30   2.281   8.419   0.540
  222   2HE   LYS  30          HE1       LYS  30   0.679   9.071   0.851
  223   1HZ   LYS  30          HZ1       LYS  30   1.541   7.648   2.646
  224   2HZ   LYS  30          HZ2       LYS  30   1.540   6.327   1.592
  225   3HZ   LYS  30          HZ3       LYS  30   0.078   7.080   2.015
  226    H    CYS  31           HN       CYS  31   0.918   4.111  -1.427
  227    HA   CYS  31           HA       CYS  31   1.581   2.472   0.794
  228   1HB   CYS  31          HB2       CYS  31   3.353   3.113  -1.545
  229   2HB   CYS  31          HB1       CYS  31   3.252   1.642  -0.609
  230    H    ASN  32           HN       ASN  32   3.921   2.502   1.561
  231    HA   ASN  32           HA       ASN  32   4.719   5.076   2.500
  232   1HB   ASN  32          HB2       ASN  32   5.264   2.939   3.680
  233   2HB   ASN  32          HB1       ASN  32   6.356   2.528   2.372
  234   1HD2  ASN  32          1HD2      ASN  32   8.309   3.507   2.241
  235   2HD2  ASN  32          2HD2      ASN  32   8.973   4.498   3.498
  236    H    ARG  33           HN       ARG  33   4.682   6.156   0.413
  237    HA   ARG  33           HA       ARG  33   7.005   5.601  -1.279
  238   1HB   ARG  33          HB2       ARG  33   4.833   5.636  -2.427
  239   2HB   ARG  33          HB1       ARG  33   4.547   7.273  -1.841
  240   1HG   ARG  33          HG2       ARG  33   6.522   8.038  -3.104
  241   2HG   ARG  33          HG1       ARG  33   6.720   6.403  -3.741
  242   1HD   ARG  33          HD2       ARG  33   5.568   7.795  -5.356
  243   2HD   ARG  33          HD1       ARG  33   4.481   6.547  -4.749
  244    HE   ARG  33           HE       ARG  33   4.052   8.757  -3.156
  245   1HH1  ARG  33          1HH1      ARG  33   3.850   8.053  -6.586
  246   2HH1  ARG  33          2HH1      ARG  33   2.527   9.152  -6.861
  247   1HH2  ARG  33          1HH2      ARG  33   2.328  10.198  -3.506
  248   2HH2  ARG  33          2HH2      ARG  33   1.643  10.354  -5.106
  249    H    CYS  34           HN       CYS  34   8.702   6.852  -1.066
  250    HA   CYS  34           HA       CYS  34   8.455   9.431   0.252
  251   1HB   CYS  34          HB2       CYS  34  11.052   9.260   0.061
  252   2HB   CYS  34          HB1       CYS  34  10.203   8.246   1.226
  253    HG   CYS  34           HG       CYS  34  11.069   5.999   0.340
  Start of MODEL   10
    1   1H    ALA   1           HT1      ALA   1  -3.310  -2.421  -9.064
    2   2H    ALA   1           HT2      ALA   1  -1.615  -2.407  -9.029
    3   3H    ALA   1           HT3      ALA   1  -2.484  -1.018  -8.586
    4    HA   ALA   1           HA       ALA   1  -2.573  -3.601  -7.153
    5   1HB   ALA   1          HB1       ALA   1  -1.235  -2.525  -5.423
    6   2HB   ALA   1          HB2       ALA   1  -1.142  -1.056  -6.398
    7   3HB   ALA   1          HB3       ALA   1  -0.373  -2.540  -6.962
    8    H    SER   2           HN       SER   2  -4.927  -3.011  -7.628
    9    HA   SER   2           HA       SER   2  -6.044  -0.962  -5.917
   10   1HB   SER   2          HB2       SER   2  -7.474  -3.149  -7.451
   11   2HB   SER   2          HB1       SER   2  -8.183  -1.672  -6.799
   12    HG   SER   2           HG       SER   2  -7.376  -0.543  -8.415
   13    H    CYS   3           HN       CYS   3  -5.707  -1.437  -3.800
   14    HA   CYS   3           HA       CYS   3  -5.881  -4.158  -2.839
   15   1HB   CYS   3          HB2       CYS   3  -5.306  -3.042  -0.632
   16   2HB   CYS   3          HB1       CYS   3  -4.111  -2.885  -1.913
   17    H    ARG   4           HN       ARG   4  -7.090  -4.706  -0.930
   18    HA   ARG   4           HA       ARG   4  -9.613  -3.255  -0.678
   19   1HB   ARG   4          HB2       ARG   4  -9.073  -5.975  -0.822
   20   2HB   ARG   4          HB1       ARG   4  -9.365  -5.703   0.882
   21   1HG   ARG   4          HG2       ARG   4 -11.242  -4.899  -1.325
   22   2HG   ARG   4          HG1       ARG   4 -11.393  -6.362  -0.354
   23   1HD   ARG   4          HD2       ARG   4 -11.421  -3.544   0.717
   24   2HD   ARG   4          HD1       ARG   4 -12.852  -4.531   0.422
   25    HE   ARG   4           HE       ARG   4 -11.449  -6.114   2.059
   26   1HH1  ARG   4          1HH1      ARG   4 -12.215  -2.699   2.264
   27   2HH1  ARG   4          2HH1      ARG   4 -12.239  -2.678   3.998
   28   1HH2  ARG   4          1HH2      ARG   4 -11.506  -6.080   4.354
   29   2HH2  ARG   4          2HH2      ARG   4 -11.841  -4.589   5.178
   30    H    THR   5           HN       THR   5  -6.720  -4.148   0.950
   31    HA   THR   5           HA       THR   5  -7.339  -2.332   3.123
   32    HB   THR   5           HB       THR   5  -6.258  -4.059   4.715
   33    HG1  THR   5           HG1      THR   5  -7.340  -6.161   3.395
   34   1HG2  THR   5          1HG2      THR   5  -8.418  -5.092   5.214
   35   2HG2  THR   5          2HG2      THR   5  -9.035  -4.574   3.646
   36   3HG2  THR   5          3HG2      THR   5  -8.605  -3.373   4.866
   37    HA   PRO   6           HA       PRO   6  -3.041  -1.120   2.886
   38   1HB   PRO   6          HB2       PRO   6  -2.676  -1.896   5.737
   39   2HB   PRO   6          HB1       PRO   6  -2.363  -0.366   4.937
   40   1HG   PRO   6          HG2       PRO   6  -4.460  -0.603   6.504
   41   2HG   PRO   6          HG1       PRO   6  -4.575   0.287   4.974
   42   1HD   PRO   6          HD2       PRO   6  -5.469  -2.483   5.617
   43   2HD   PRO   6          HD1       PRO   6  -6.294  -1.219   4.685
   44    H    LYS   7           HN       LYS   7  -3.434  -4.025   4.929
   45    HA   LYS   7           HA       LYS   7  -0.888  -5.077   4.349
   46   1HB   LYS   7          HB2       LYS   7  -3.381  -6.212   5.549
   47   2HB   LYS   7          HB1       LYS   7  -2.071  -7.291   5.101
   48   1HG   LYS   7          HG2       LYS   7  -1.849  -6.777   7.410
   49   2HG   LYS   7          HG1       LYS   7  -0.557  -5.947   6.546
   50   1HD   LYS   7          HD2       LYS   7  -1.818  -3.860   6.636
   51   2HD   LYS   7          HD1       LYS   7  -3.145  -4.688   7.463
   52   1HE   LYS   7          HE2       LYS   7  -1.595  -5.253   9.302
   53   2HE   LYS   7          HE1       LYS   7  -0.332  -4.327   8.490
   54   1HZ   LYS   7          HZ1       LYS   7  -1.561  -2.336   8.777
   55   2HZ   LYS   7          HZ2       LYS   7  -1.536  -3.117  10.283
   56   3HZ   LYS   7          HZ3       LYS   7  -2.931  -3.170   9.325
   57    H    ASP   8           HN       ASP   8  -3.810  -4.986   2.594
   58    HA   ASP   8           HA       ASP   8  -3.427  -7.324   1.018
   59   1HB   ASP   8          HB2       ASP   8  -5.629  -6.272   1.275
   60   2HB   ASP   8          HB1       ASP   8  -5.048  -4.837   0.441
   61    H    CYS   9           HN       CYS   9  -2.182  -4.089   0.868
   62    HA   CYS   9           HA       CYS   9  -0.903  -4.730  -1.683
   63   1HB   CYS   9          HB2       CYS   9  -0.638  -2.190  -1.839
   64   2HB   CYS   9          HB1       CYS   9  -2.211  -2.875  -2.170
   65    H    ALA  10           HN       ALA  10  -0.047  -5.111   1.237
   66    HA   ALA  10           HA       ALA  10   2.124  -3.350   1.626
   67   1HB   ALA  10          HB1       ALA  10   1.833  -6.140   2.742
   68   2HB   ALA  10          HB2       ALA  10   1.078  -4.708   3.435
   69   3HB   ALA  10          HB3       ALA  10   2.835  -4.836   3.383
   70    H    ASP  11           HN       ASP  11   1.834  -6.526   0.110
   71    HA   ASP  11           HA       ASP  11   4.628  -6.642  -0.545
   72   1HB   ASP  11          HB2       ASP  11   3.291  -8.701  -0.362
   73   2HB   ASP  11          HB1       ASP  11   2.312  -8.192  -1.727
   74    HA   PRO  12           HA       PRO  12   2.572  -5.143  -4.934
   75   1HB   PRO  12          HB2       PRO  12   0.598  -3.587  -3.322
   76   2HB   PRO  12          HB1       PRO  12   0.469  -4.194  -4.975
   77   1HG   PRO  12          HG2       PRO  12  -0.667  -5.435  -2.849
   78   2HG   PRO  12          HG1       PRO  12  -0.124  -6.290  -4.300
   79   1HD   PRO  12          HD2       PRO  12   0.971  -6.389  -1.597
   80   2HD   PRO  12          HD1       PRO  12   1.315  -7.420  -2.998
   81    H    CYS  13           HN       CYS  13   2.275  -2.994  -2.035
   82    HA   CYS  13           HA       CYS  13   3.520  -0.841  -3.399
   83   1HB   CYS  13          HB2       CYS  13   2.847  -1.410  -0.542
   84   2HB   CYS  13          HB1       CYS  13   3.841  -0.030  -0.956
   85    H    ARG  14           HN       ARG  14   4.813  -3.504  -1.570
   86    HA   ARG  14           HA       ARG  14   7.454  -2.449  -1.425
   87   1HB   ARG  14          HB2       ARG  14   6.652  -4.253   0.062
   88   2HB   ARG  14          HB1       ARG  14   6.547  -5.332  -1.315
   89   1HG   ARG  14          HG2       ARG  14   8.953  -5.180  -1.640
   90   2HG   ARG  14          HG1       ARG  14   9.075  -4.059  -0.283
   91   1HD   ARG  14          HD2       ARG  14   9.693  -6.318   0.385
   92   2HD   ARG  14          HD1       ARG  14   8.233  -5.787   1.216
   93    HE   ARG  14           HE       ARG  14   7.007  -7.143  -0.499
   94   1HH1  ARG  14          1HH1      ARG  14  10.308  -7.870   0.370
   95   2HH1  ARG  14          2HH1      ARG  14  10.156  -9.578   0.061
   96   1HH2  ARG  14          1HH2      ARG  14   6.786  -9.371  -0.959
   97   2HH2  ARG  14          2HH2      ARG  14   8.149 -10.433  -0.692
   98    H    LYS  15           HN       LYS  15   5.581  -3.999  -3.883
   99    HA   LYS  15           HA       LYS  15   7.920  -4.473  -5.555
  100   1HB   LYS  15          HB2       LYS  15   5.789  -5.919  -5.469
  101   2HB   LYS  15          HB1       LYS  15   5.032  -4.626  -6.389
  102   1HG   LYS  15          HG2       LYS  15   5.703  -6.288  -7.933
  103   2HG   LYS  15          HG1       LYS  15   6.812  -4.930  -8.118
  104   1HD   LYS  15          HD2       LYS  15   8.244  -6.751  -8.129
  105   2HD   LYS  15          HD1       LYS  15   8.302  -6.235  -6.446
  106   1HE   LYS  15          HE2       LYS  15   6.568  -8.456  -7.521
  107   2HE   LYS  15          HE1       LYS  15   8.117  -8.687  -6.713
  108   1HZ   LYS  15          HZ1       LYS  15   6.388  -9.037  -5.140
  109   2HZ   LYS  15          HZ2       LYS  15   5.630  -7.572  -5.529
  110   3HZ   LYS  15          HZ3       LYS  15   7.136  -7.569  -4.745
  111    H    GLU  16           HN       GLU  16   5.296  -2.251  -5.153
  112    HA   GLU  16           HA       GLU  16   5.567  -0.716  -7.490
  113   1HB   GLU  16          HB2       GLU  16   3.985  -0.826  -5.163
  114   2HB   GLU  16          HB1       GLU  16   4.669   0.768  -5.215
  115   1HG   GLU  16          HG2       GLU  16   3.164  -0.482  -7.490
  116   2HG   GLU  16          HG1       GLU  16   2.446   0.581  -6.286
  117    H    THR  17           HN       THR  17   6.431   0.049  -4.146
  118    HA   THR  17           HA       THR  17   8.447   1.941  -5.189
  119    HB   THR  17           HB       THR  17   6.922   2.160  -2.588
  120    HG1  THR  17           HG1      THR  17   6.407   3.107  -5.187
  121   1HG2  THR  17          1HG2      THR  17   9.106   3.253  -2.541
  122   2HG2  THR  17          2HG2      THR  17   7.808   4.444  -2.545
  123   3HG2  THR  17          3HG2      THR  17   8.711   4.125  -4.023
  124    H    GLY  18           HN       GLY  18   7.803  -0.710  -3.117
  125   1HA   GLY  18          HA2       GLY  18   9.623  -2.132  -2.522
  126   2HA   GLY  18          HA1       GLY  18  10.640  -0.713  -2.320
  127    H    CYS  19           HN       CYS  19   7.927   0.298  -0.985
  128    HA   CYS  19           HA       CYS  19   8.772  -0.455   1.692
  129   1HB   CYS  19          HB2       CYS  19   6.616   1.526   0.974
  130   2HB   CYS  19          HB1       CYS  19   7.575   1.440   2.440
  131    HG   CYS  19           HG       CYS  19   9.922   2.360   1.301
  132    HA   PRO  20           HA       PRO  20   5.295  -3.308   1.584
  133   1HB   PRO  20          HB2       PRO  20   5.959  -4.733   3.751
  134   2HB   PRO  20          HB1       PRO  20   6.865  -4.876   2.240
  135   1HG   PRO  20          HG2       PRO  20   7.547  -3.347   4.720
  136   2HG   PRO  20          HG1       PRO  20   8.601  -4.321   3.682
  137   1HD   PRO  20          HD2       PRO  20   8.409  -1.575   3.574
  138   2HD   PRO  20          HD1       PRO  20   8.951  -2.593   2.228
  139    H    TYR  21           HN       TYR  21   5.016  -0.629   2.783
  140    HA   TYR  21           HA       TYR  21   3.040  -1.279   4.822
  141   1HB   TYR  21          HB2       TYR  21   5.016   0.986   4.997
  142   2HB   TYR  21          HB1       TYR  21   3.743   0.628   6.133
  143    HD1  TYR  21           HD1      TYR  21   3.844  -1.597   7.388
  144    HD2  TYR  21           HD2      TYR  21   7.147   0.058   5.282
  145    HE1  TYR  21           HE1      TYR  21   5.373  -3.027   8.673
  146    HE2  TYR  21           HE2      TYR  21   8.686  -1.363   6.562
  147    HH   TYR  21           HH       TYR  21   7.616  -3.990   8.437
  148    H    GLY  22           HN       GLY  22   1.720   0.797   5.266
  149   1HA   GLY  22          HA2       GLY  22   1.342   3.011   3.991
  150   2HA   GLY  22          HA1       GLY  22   1.048   1.918   2.653
  151    H    LYS  23           HN       LYS  23  -0.975   3.060   2.607
  152    HA   LYS  23           HA       LYS  23  -2.969   1.731   4.308
  153   1HB   LYS  23          HB2       LYS  23  -2.497   4.182   4.954
  154   2HB   LYS  23          HB1       LYS  23  -3.204   4.598   3.402
  155   1HG   LYS  23          HG2       LYS  23  -4.896   4.865   5.016
  156   2HG   LYS  23          HG1       LYS  23  -5.273   3.398   4.112
  157   1HD   LYS  23          HD2       LYS  23  -5.641   3.061   6.482
  158   2HD   LYS  23          HD1       LYS  23  -4.305   2.053   5.919
  159   1HE   LYS  23          HE2       LYS  23  -3.886   3.161   8.105
  160   2HE   LYS  23          HE1       LYS  23  -2.695   3.554   6.872
  161   1HZ   LYS  23          HZ1       LYS  23  -3.512   5.469   8.234
  162   2HZ   LYS  23          HZ2       LYS  23  -5.023   5.292   7.482
  163   3HZ   LYS  23          HZ3       LYS  23  -3.651   5.675   6.560
  164    H    CYS  24           HN       CYS  24  -5.113   1.769   3.217
  165    HA   CYS  24           HA       CYS  24  -4.767   1.685   0.302
  166   1HB   CYS  24          HB2       CYS  24  -5.440  -0.414   1.615
  167   2HB   CYS  24          HB1       CYS  24  -6.972   0.383   1.922
  168    H    MET  25           HN       MET  25  -5.892   3.188  -0.909
  169    HA   MET  25           HA       MET  25  -7.870   4.807   0.563
  170   1HB   MET  25          HB2       MET  25  -5.287   5.615  -0.156
  171   2HB   MET  25          HB1       MET  25  -6.380   6.414  -1.258
  172   1HG   MET  25          HG2       MET  25  -6.007   7.860   0.583
  173   2HG   MET  25          HG1       MET  25  -7.657   7.248   0.692
  174   1HE   MET  25          HE1       MET  25  -6.517   7.658   4.437
  175   2HE   MET  25          HE2       MET  25  -7.735   8.095   3.239
  176   3HE   MET  25          HE3       MET  25  -6.082   8.680   3.067
  177    H    ASN  26           HN       ASN  26  -9.632   5.120  -0.482
  178    HA   ASN  26           HA       ASN  26 -11.254   5.041  -2.074
  179   1HB   ASN  26          HB2       ASN  26 -10.016   7.162  -2.557
  180   2HB   ASN  26          HB1       ASN  26  -9.163   6.295  -3.823
  181   1HD2  ASN  26          1HD2      ASN  26  -9.981   7.626  -5.427
  182   2HD2  ASN  26          2HD2      ASN  26 -11.634   7.529  -5.953
  183    H    ARG  27           HN       ARG  27 -10.329   2.640  -1.867
  184    HA   ARG  27           HA       ARG  27 -10.091   0.600  -2.809
  185   1HB   ARG  27          HB2       ARG  27 -12.159   1.526  -4.024
  186   2HB   ARG  27          HB1       ARG  27 -11.093   1.728  -5.409
  187   1HG   ARG  27          HG2       ARG  27 -12.244  -0.339  -5.665
  188   2HG   ARG  27          HG1       ARG  27 -10.563  -0.706  -5.271
  189   1HD   ARG  27          HD2       ARG  27 -12.850  -0.701  -3.297
  190   2HD   ARG  27          HD1       ARG  27 -12.179  -2.137  -4.065
  191    HE   ARG  27           HE       ARG  27 -10.026  -1.467  -2.928
  192   1HH1  ARG  27          1HH1      ARG  27 -13.185  -0.714  -1.599
  193   2HH1  ARG  27          2HH1      ARG  27 -12.597  -0.563   0.027
  194   1HH2  ARG  27          1HH2      ARG  27  -9.251  -1.202  -0.811
  195   2HH2  ARG  27          2HH2      ARG  27 -10.348  -0.804   0.470
  196    H    LYS  28           HN       LYS  28  -7.945   2.576  -3.038
  197    HA   LYS  28           HA       LYS  28  -6.264   1.057  -4.873
  198   1HB   LYS  28          HB2       LYS  28  -6.583   4.022  -4.783
  199   2HB   LYS  28          HB1       LYS  28  -5.053   3.301  -5.264
  200   1HG   LYS  28          HG2       LYS  28  -6.044   2.232  -7.132
  201   2HG   LYS  28          HG1       LYS  28  -7.672   2.608  -6.561
  202   1HD   LYS  28          HD2       LYS  28  -5.600   4.609  -7.449
  203   2HD   LYS  28          HD1       LYS  28  -7.001   4.088  -8.389
  204   1HE   LYS  28          HE2       LYS  28  -8.474   4.938  -6.603
  205   2HE   LYS  28          HE1       LYS  28  -7.050   5.515  -5.737
  206   1HZ   LYS  28          HZ1       LYS  28  -7.954   6.407  -8.420
  207   2HZ   LYS  28          HZ2       LYS  28  -6.542   6.930  -7.643
  208   3HZ   LYS  28          HZ3       LYS  28  -8.055   7.292  -6.976
  209    H    CYS  29           HN       CYS  29  -3.886   1.938  -4.244
  210    HA   CYS  29           HA       CYS  29  -3.838   1.855  -1.325
  211   1HB   CYS  29          HB2       CYS  29  -3.052  -0.251  -2.505
  212   2HB   CYS  29          HB1       CYS  29  -1.684   0.702  -3.050
  213    H    LYS  30           HN       LYS  30  -2.525   3.137  -0.257
  214    HA   LYS  30           HA       LYS  30  -0.617   4.757  -1.797
  215   1HB   LYS  30          HB2       LYS  30  -2.673   5.985  -0.859
  216   2HB   LYS  30          HB1       LYS  30  -1.883   5.751   0.677
  217   1HG   LYS  30          HG2       LYS  30  -1.468   7.977  -0.343
  218   2HG   LYS  30          HG1       LYS  30  -0.017   7.053   0.029
  219   1HD   LYS  30          HD2       LYS  30   0.097   8.146  -2.169
  220   2HD   LYS  30          HD1       LYS  30   0.201   6.389  -2.281
  221   1HE   LYS  30          HE2       LYS  30  -2.239   6.359  -2.803
  222   2HE   LYS  30          HE1       LYS  30  -2.184   8.122  -2.873
  223   1HZ   LYS  30          HZ1       LYS  30  -0.437   6.400  -4.536
  224   2HZ   LYS  30          HZ2       LYS  30  -0.752   8.058  -4.723
  225   3HZ   LYS  30          HZ3       LYS  30  -1.967   6.920  -5.056
  226    H    CYS  31           HN       CYS  31   1.196   4.071  -1.299
  227    HA   CYS  31           HA       CYS  31   1.701   2.406   0.932
  228   1HB   CYS  31          HB2       CYS  31   3.847   3.384  -0.896
  229   2HB   CYS  31          HB1       CYS  31   3.592   1.801  -0.211
  230    H    ASN  32           HN       ASN  32   3.069   2.774   2.637
  231    HA   ASN  32           HA       ASN  32   3.399   5.513   3.432
  232   1HB   ASN  32          HB2       ASN  32   2.862   3.675   5.045
  233   2HB   ASN  32          HB1       ASN  32   4.477   3.025   4.778
  234   1HD2  ASN  32          1HD2      ASN  32   5.099   3.302   6.902
  235   2HD2  ASN  32          2HD2      ASN  32   5.401   4.860   7.594
  236    H    ARG  33           HN       ARG  33   4.691   6.143   1.637
  237    HA   ARG  33           HA       ARG  33   7.311   5.079   1.241
  238   1HB   ARG  33          HB2       ARG  33   5.922   6.098  -0.545
  239   2HB   ARG  33          HB1       ARG  33   6.091   7.658   0.237
  240   1HG   ARG  33          HG2       ARG  33   8.443   7.700  -0.199
  241   2HG   ARG  33          HG1       ARG  33   8.404   6.038  -0.798
  242   1HD   ARG  33          HD2       ARG  33   6.953   8.378  -2.024
  243   2HD   ARG  33          HD1       ARG  33   8.471   7.695  -2.612
  244    HE   ARG  33           HE       ARG  33   6.903   5.551  -2.657
  245   1HH1  ARG  33          1HH1      ARG  33   6.261   8.806  -3.750
  246   2HH1  ARG  33          2HH1      ARG  33   5.205   8.313  -5.039
  247   1HH2  ARG  33          1HH2      ARG  33   5.508   4.874  -4.338
  248   2HH2  ARG  33          2HH2      ARG  33   4.773   6.064  -5.373
  249    H    CYS  34           HN       CYS  34   7.898   5.292   3.533
  250    HA   CYS  34           HA       CYS  34   8.766   7.988   4.283
  251   1HB   CYS  34          HB2       CYS  34   7.443   6.667   5.932
  252   2HB   CYS  34          HB1       CYS  34   8.716   5.452   5.942
  253    HG   CYS  34           HG       CYS  34  10.016   8.406   6.574
  Start of MODEL   11
    1   1H    ALA   1           HT1      ALA   1  -2.009   1.149  -7.410
    2   2H    ALA   1           HT2      ALA   1  -0.469   0.440  -7.327
    3   3H    ALA   1           HT3      ALA   1  -1.366   0.693  -5.909
    4    HA   ALA   1           HA       ALA   1  -2.178  -1.107  -8.109
    5   1HB   ALA   1          HB1       ALA   1  -1.563  -2.934  -6.624
    6   2HB   ALA   1          HB2       ALA   1  -0.992  -1.783  -5.416
    7   3HB   ALA   1          HB3       ALA   1  -0.164  -1.917  -6.969
    8    H    SER   2           HN       SER   2  -4.032  -2.372  -7.595
    9    HA   SER   2           HA       SER   2  -5.976  -1.057  -5.989
   10   1HB   SER   2          HB2       SER   2  -7.326  -3.164  -6.707
   11   2HB   SER   2          HB1       SER   2  -6.853  -2.003  -7.949
   12    HG   SER   2           HG       SER   2  -5.498  -3.406  -8.790
   13    H    CYS   3           HN       CYS   3  -7.104  -2.059  -4.243
   14    HA   CYS   3           HA       CYS   3  -5.904  -4.211  -2.792
   15   1HB   CYS   3          HB2       CYS   3  -4.176  -2.838  -2.183
   16   2HB   CYS   3          HB1       CYS   3  -5.162  -1.398  -2.273
   17    H    ARG   4           HN       ARG   4  -6.762  -4.439  -0.628
   18    HA   ARG   4           HA       ARG   4  -9.430  -3.258  -0.277
   19   1HB   ARG   4          HB2       ARG   4  -8.762  -5.961  -0.570
   20   2HB   ARG   4          HB1       ARG   4  -9.063  -5.754   1.139
   21   1HG   ARG   4          HG2       ARG   4 -11.016  -4.820  -0.932
   22   2HG   ARG   4          HG1       ARG   4 -11.013  -6.469  -0.312
   23   1HD   ARG   4          HD2       ARG   4 -12.626  -5.276   0.942
   24   2HD   ARG   4          HD1       ARG   4 -11.228  -5.491   1.989
   25    HE   ARG   4           HE       ARG   4 -10.715  -3.083   1.071
   26   1HH1  ARG   4          1HH1      ARG   4 -13.765  -4.421   2.149
   27   2HH1  ARG   4          2HH1      ARG   4 -14.421  -2.878   2.612
   28   1HH2  ARG   4          1HH2      ARG   4 -11.547  -1.068   1.715
   29   2HH2  ARG   4          2HH2      ARG   4 -13.153  -0.977   2.391
   30    H    THR   5           HN       THR   5  -6.375  -3.996   1.134
   31    HA   THR   5           HA       THR   5  -6.986  -2.498   3.509
   32    HB   THR   5           HB       THR   5  -5.981  -4.487   4.912
   33    HG1  THR   5           HG1      THR   5  -6.208  -5.662   2.599
   34   1HG2  THR   5          1HG2      THR   5  -8.252  -5.259   5.450
   35   2HG2  THR   5          2HG2      THR   5  -8.863  -4.425   4.025
   36   3HG2  THR   5          3HG2      THR   5  -8.155  -3.504   5.350
   37    HA   PRO   6           HA       PRO   6  -2.795  -1.213   3.198
   38   1HB   PRO   6          HB2       PRO   6  -2.453  -1.991   6.062
   39   2HB   PRO   6          HB1       PRO   6  -2.083  -0.474   5.254
   40   1HG   PRO   6          HG2       PRO   6  -4.221  -0.641   6.769
   41   2HG   PRO   6          HG1       PRO   6  -4.290   0.221   5.227
   42   1HD   PRO   6          HD2       PRO   6  -5.282  -2.497   5.909
   43   2HD   PRO   6          HD1       PRO   6  -6.017  -1.253   4.884
   44    H    LYS   7           HN       LYS   7  -3.130  -4.161   5.177
   45    HA   LYS   7           HA       LYS   7  -0.551  -5.134   4.516
   46   1HB   LYS   7          HB2       LYS   7  -1.713  -5.759   6.603
   47   2HB   LYS   7          HB1       LYS   7  -2.921  -6.617   5.659
   48   1HG   LYS   7          HG2       LYS   7  -1.410  -8.223   6.536
   49   2HG   LYS   7          HG1       LYS   7  -1.103  -8.093   4.803
   50   1HD   LYS   7          HD2       LYS   7   1.000  -8.179   5.929
   51   2HD   LYS   7          HD1       LYS   7   0.769  -6.535   5.330
   52   1HE   LYS   7          HE2       LYS   7   0.118  -5.782   7.526
   53   2HE   LYS   7          HE1       LYS   7   0.180  -7.429   8.146
   54   1HZ   LYS   7          HZ1       LYS   7   2.152  -6.315   8.792
   55   2HZ   LYS   7          HZ2       LYS   7   2.461  -5.781   7.215
   56   3HZ   LYS   7          HZ3       LYS   7   2.582  -7.430   7.589
   57    H    ASP   8           HN       ASP   8  -3.505  -5.046   2.829
   58    HA   ASP   8           HA       ASP   8  -3.091  -7.497   1.339
   59   1HB   ASP   8          HB2       ASP   8  -5.370  -6.844   1.659
   60   2HB   ASP   8          HB1       ASP   8  -5.056  -5.222   1.066
   61    H    CYS   9           HN       CYS   9  -2.292  -4.141   1.064
   62    HA   CYS   9           HA       CYS   9  -1.106  -4.631  -1.560
   63   1HB   CYS   9          HB2       CYS   9  -0.798  -2.095  -1.505
   64   2HB   CYS   9          HB1       CYS   9  -2.422  -2.705  -1.736
   65    H    ALA  10           HN       ALA  10  -0.129  -5.227   1.338
   66    HA   ALA  10           HA       ALA  10   2.144  -3.574   1.672
   67   1HB   ALA  10          HB1       ALA  10   1.155  -4.855   3.532
   68   2HB   ALA  10          HB2       ALA  10   2.874  -5.201   3.333
   69   3HB   ALA  10          HB3       ALA  10   1.672  -6.355   2.757
   70    H    ASP  11           HN       ASP  11   1.607  -6.656   0.044
   71    HA   ASP  11           HA       ASP  11   4.393  -6.920  -0.650
   72   1HB   ASP  11          HB2       ASP  11   2.933  -8.916  -0.476
   73   2HB   ASP  11          HB1       ASP  11   2.002  -8.339  -1.845
   74    HA   PRO  12           HA       PRO  12   2.395  -5.220  -4.947
   75   1HB   PRO  12          HB2       PRO  12   0.402  -3.601  -3.460
   76   2HB   PRO  12          HB1       PRO  12   0.281  -4.343  -5.053
   77   1HG   PRO  12          HG2       PRO  12  -0.854  -5.347  -2.756
   78   2HG   PRO  12          HG1       PRO  12  -0.506  -6.289  -4.213
   79   1HD   PRO  12          HD2       PRO  12   0.730  -6.478  -1.608
   80   2HD   PRO  12          HD1       PRO  12   0.982  -7.484  -3.041
   81    H    CYS  13           HN       CYS  13   2.033  -3.166  -2.001
   82    HA   CYS  13           HA       CYS  13   3.301  -0.981  -3.261
   83   1HB   CYS  13          HB2       CYS  13   2.621  -1.664  -0.429
   84   2HB   CYS  13          HB1       CYS  13   3.584  -0.251  -0.797
   85    H    ARG  14           HN       ARG  14   4.551  -3.694  -1.445
   86    HA   ARG  14           HA       ARG  14   7.182  -2.662  -1.218
   87   1HB   ARG  14          HB2       ARG  14   6.337  -4.491   0.200
   88   2HB   ARG  14          HB1       ARG  14   6.220  -5.531  -1.201
   89   1HG   ARG  14          HG2       ARG  14   8.636  -5.472  -1.470
   90   2HG   ARG  14          HG1       ARG  14   8.771  -4.377  -0.095
   91   1HD   ARG  14          HD2       ARG  14   9.277  -6.691   0.528
   92   2HD   ARG  14          HD1       ARG  14   7.855  -6.083   1.373
   93    HE   ARG  14           HE       ARG  14   6.980  -7.387  -0.925
   94   1HH1  ARG  14          1HH1      ARG  14   8.582  -8.171   2.086
   95   2HH1  ARG  14          2HH1      ARG  14   7.944  -9.793   2.141
   96   1HH2  ARG  14          1HH2      ARG  14   6.175  -9.512  -0.879
   97   2HH2  ARG  14          2HH2      ARG  14   6.628 -10.573   0.433
   98    H    LYS  15           HN       LYS  15   5.374  -3.830  -3.842
   99    HA   LYS  15           HA       LYS  15   7.800  -4.441  -5.391
  100   1HB   LYS  15          HB2       LYS  15   5.370  -5.672  -5.229
  101   2HB   LYS  15          HB1       LYS  15   5.136  -4.633  -6.625
  102   1HG   LYS  15          HG2       LYS  15   6.735  -5.740  -7.877
  103   2HG   LYS  15          HG1       LYS  15   7.555  -6.383  -6.448
  104   1HD   LYS  15          HD2       LYS  15   4.842  -7.224  -7.480
  105   2HD   LYS  15          HD1       LYS  15   6.338  -8.151  -7.616
  106   1HE   LYS  15          HE2       LYS  15   6.474  -8.278  -5.170
  107   2HE   LYS  15          HE1       LYS  15   4.980  -7.359  -5.038
  108   1HZ   LYS  15          HZ1       LYS  15   5.334 -10.091  -6.121
  109   2HZ   LYS  15          HZ2       LYS  15   3.913  -9.188  -6.351
  110   3HZ   LYS  15          HZ3       LYS  15   4.407  -9.604  -4.782
  111    H    GLU  16           HN       GLU  16   5.091  -2.345  -5.089
  112    HA   GLU  16           HA       GLU  16   5.462  -0.899  -7.522
  113   1HB   GLU  16          HB2       GLU  16   3.256  -1.255  -6.552
  114   2HB   GLU  16          HB1       GLU  16   3.732  -0.391  -5.105
  115   1HG   GLU  16          HG2       GLU  16   3.794   1.678  -6.270
  116   2HG   GLU  16          HG1       GLU  16   3.667   0.869  -7.834
  117    H    THR  17           HN       THR  17   6.145  -0.250  -4.089
  118    HA   THR  17           HA       THR  17   7.752   2.035  -4.987
  119    HB   THR  17           HB       THR  17   7.297   2.878  -2.572
  120    HG1  THR  17           HG1      THR  17   4.874   1.474  -2.938
  121   1HG2  THR  17          1HG2      THR  17   6.550   4.019  -4.602
  122   2HG2  THR  17          2HG2      THR  17   5.330   4.103  -3.328
  123   3HG2  THR  17          3HG2      THR  17   5.136   2.968  -4.666
  124    H    GLY  18           HN       GLY  18   7.496  -0.770  -2.941
  125   1HA   GLY  18          HA2       GLY  18   9.582  -2.025  -2.755
  126   2HA   GLY  18          HA1       GLY  18  10.398  -0.504  -2.446
  127    H    CYS  19           HN       CYS  19   7.675  -0.115  -0.771
  128    HA   CYS  19           HA       CYS  19   8.744  -1.450   1.606
  129   1HB   CYS  19          HB2       CYS  19   7.414   1.242   1.361
  130   2HB   CYS  19          HB1       CYS  19   7.852   0.472   2.874
  131    HG   CYS  19           HG       CYS  19  10.214   1.433   2.984
  132    HA   PRO  20           HA       PRO  20   4.676  -3.238   1.740
  133   1HB   PRO  20          HB2       PRO  20   4.984  -4.726   3.939
  134   2HB   PRO  20          HB1       PRO  20   5.888  -5.085   2.465
  135   1HG   PRO  20          HG2       PRO  20   6.783  -3.670   4.942
  136   2HG   PRO  20          HG1       PRO  20   7.648  -4.870   3.967
  137   1HD   PRO  20          HD2       PRO  20   8.021  -2.141   3.793
  138   2HD   PRO  20          HD1       PRO  20   8.412  -3.292   2.505
  139    H    TYR  21           HN       TYR  21   4.831  -0.543   2.728
  140    HA   TYR  21           HA       TYR  21   3.071  -0.701   5.065
  141   1HB   TYR  21          HB2       TYR  21   5.083   1.441   4.415
  142   2HB   TYR  21          HB1       TYR  21   3.961   1.470   5.744
  143    HD1  TYR  21           HD1      TYR  21   4.280   0.022   7.692
  144    HD2  TYR  21           HD2      TYR  21   7.089   0.132   4.505
  145    HE1  TYR  21           HE1      TYR  21   5.918  -1.141   9.105
  146    HE2  TYR  21           HE2      TYR  21   8.741  -1.025   5.912
  147    HH   TYR  21           HH       TYR  21   7.899  -2.571   8.807
  148    H    GLY  22           HN       GLY  22   1.870   1.441   5.273
  149   1HA   GLY  22          HA2       GLY  22   1.277   3.445   3.878
  150   2HA   GLY  22          HA1       GLY  22   0.974   2.274   2.610
  151    H    LYS  23           HN       LYS  23  -1.079   3.394   2.611
  152    HA   LYS  23           HA       LYS  23  -2.959   2.112   4.481
  153   1HB   LYS  23          HB2       LYS  23  -2.409   4.685   4.756
  154   2HB   LYS  23          HB1       LYS  23  -3.481   4.830   3.369
  155   1HG   LYS  23          HG2       LYS  23  -5.251   3.689   4.639
  156   2HG   LYS  23          HG1       LYS  23  -4.184   3.661   6.049
  157   1HD   LYS  23          HD2       LYS  23  -5.148   6.123   4.597
  158   2HD   LYS  23          HD1       LYS  23  -5.719   5.548   6.166
  159   1HE   LYS  23          HE2       LYS  23  -3.864   6.264   7.257
  160   2HE   LYS  23          HE1       LYS  23  -2.802   5.956   5.888
  161   1HZ   LYS  23          HZ1       LYS  23  -4.716   8.214   6.072
  162   2HZ   LYS  23          HZ2       LYS  23  -3.600   7.937   4.822
  163   3HZ   LYS  23          HZ3       LYS  23  -3.051   8.328   6.379
  164    H    CYS  24           HN       CYS  24  -5.083   1.823   3.485
  165    HA   CYS  24           HA       CYS  24  -4.749   1.521   0.579
  166   1HB   CYS  24          HB2       CYS  24  -4.875  -0.567   1.918
  167   2HB   CYS  24          HB1       CYS  24  -6.467  -0.083   2.487
  168    H    MET  25           HN       MET  25  -6.458   2.086  -0.804
  169    HA   MET  25           HA       MET  25  -8.467   3.849   0.405
  170   1HB   MET  25          HB2       MET  25  -6.887   4.657  -1.414
  171   2HB   MET  25          HB1       MET  25  -7.776   3.602  -2.491
  172   1HG   MET  25          HG2       MET  25  -9.786   4.840  -2.186
  173   2HG   MET  25          HG1       MET  25  -9.057   5.793  -0.897
  174   1HE   MET  25          HE1       MET  25  -6.177   6.415  -2.023
  175   2HE   MET  25          HE2       MET  25  -7.205   7.634  -1.270
  176   3HE   MET  25          HE3       MET  25  -6.449   7.958  -2.832
  177    H    ASN  26           HN       ASN  26 -10.594   3.805  -0.925
  178    HA   ASN  26           HA       ASN  26 -11.974   1.545  -0.369
  179   1HB   ASN  26          HB2       ASN  26 -13.733   2.296  -1.855
  180   2HB   ASN  26          HB1       ASN  26 -13.026   3.673  -1.024
  181   1HD2  ASN  26          1HD2      ASN  26 -14.551   3.611  -3.459
  182   2HD2  ASN  26          2HD2      ASN  26 -13.553   4.280  -4.705
  183    H    ARG  27           HN       ARG  27 -10.440   2.185  -3.518
  184    HA   ARG  27           HA       ARG  27 -10.475  -0.713  -3.958
  185   1HB   ARG  27          HB2       ARG  27 -11.230   1.397  -5.962
  186   2HB   ARG  27          HB1       ARG  27 -10.849  -0.256  -6.406
  187   1HG   ARG  27          HG2       ARG  27 -13.026   0.429  -4.449
  188   2HG   ARG  27          HG1       ARG  27 -13.303   0.337  -6.188
  189   1HD   ARG  27          HD2       ARG  27 -13.906  -1.746  -5.060
  190   2HD   ARG  27          HD1       ARG  27 -12.590  -1.978  -6.207
  191    HE   ARG  27           HE       ARG  27 -11.734  -1.511  -3.493
  192   1HH1  ARG  27          1HH1      ARG  27 -12.793  -3.944  -5.786
  193   2HH1  ARG  27          2HH1      ARG  27 -11.857  -5.211  -5.051
  194   1HH2  ARG  27          1HH2      ARG  27 -10.480  -3.179  -2.556
  195   2HH2  ARG  27          2HH2      ARG  27 -10.556  -4.785  -3.220
  196    H    LYS  28           HN       LYS  28  -8.458   1.436  -3.143
  197    HA   LYS  28           HA       LYS  28  -6.363   0.686  -5.028
  198   1HB   LYS  28          HB2       LYS  28  -7.101   3.496  -4.268
  199   2HB   LYS  28          HB1       LYS  28  -5.534   3.071  -4.913
  200   1HG   LYS  28          HG2       LYS  28  -6.712   2.174  -6.941
  201   2HG   LYS  28          HG1       LYS  28  -8.198   2.872  -6.293
  202   1HD   LYS  28          HD2       LYS  28  -5.678   4.440  -6.843
  203   2HD   LYS  28          HD1       LYS  28  -7.037   4.321  -7.960
  204   1HE   LYS  28          HE2       LYS  28  -7.366   5.298  -5.137
  205   2HE   LYS  28          HE1       LYS  28  -6.931   6.379  -6.460
  206   1HZ   LYS  28          HZ1       LYS  28  -9.337   6.303  -6.005
  207   2HZ   LYS  28          HZ2       LYS  28  -9.357   4.660  -6.436
  208   3HZ   LYS  28          HZ3       LYS  28  -8.945   5.841  -7.589
  209    H    CYS  29           HN       CYS  29  -4.262   1.781  -4.038
  210    HA   CYS  29           HA       CYS  29  -4.366   1.933  -1.151
  211   1HB   CYS  29          HB2       CYS  29  -3.851  -0.395  -1.634
  212   2HB   CYS  29          HB1       CYS  29  -2.487   0.079  -2.622
  213    H    LYS  30           HN       LYS  30  -2.742   3.086  -0.249
  214    HA   LYS  30           HA       LYS  30  -0.769   4.273  -2.078
  215   1HB   LYS  30          HB2       LYS  30  -2.695   5.824  -1.350
  216   2HB   LYS  30          HB1       LYS  30  -1.864   5.831   0.184
  217   1HG   LYS  30          HG2       LYS  30  -1.311   7.756  -1.278
  218   2HG   LYS  30          HG1       LYS  30   0.073   6.809  -0.743
  219   1HD   LYS  30          HD2       LYS  30   0.257   7.382  -3.109
  220   2HD   LYS  30          HD1       LYS  30   0.111   5.640  -2.885
  221   1HE   LYS  30          HE2       LYS  30  -1.263   6.298  -4.731
  222   2HE   LYS  30          HE1       LYS  30  -2.302   5.827  -3.389
  223   1HZ   LYS  30          HZ1       LYS  30  -1.637   8.601  -4.216
  224   2HZ   LYS  30          HZ2       LYS  30  -2.573   8.197  -2.864
  225   3HZ   LYS  30          HZ3       LYS  30  -3.128   7.819  -4.416
  226    H    CYS  31           HN       CYS  31   1.162   4.022  -1.444
  227    HA   CYS  31           HA       CYS  31   1.577   2.458   0.917
  228   1HB   CYS  31          HB2       CYS  31   3.722   3.084  -1.049
  229   2HB   CYS  31          HB1       CYS  31   3.358   1.595  -0.207
  230    H    ASN  32           HN       ASN  32   3.117   2.845   2.448
  231    HA   ASN  32           HA       ASN  32   4.178   5.576   2.629
  232   1HB   ASN  32          HB2       ASN  32   2.882   4.670   4.569
  233   2HB   ASN  32          HB1       ASN  32   4.096   3.414   4.750
  234   1HD2  ASN  32          1HD2      ASN  32   6.075   3.927   5.596
  235   2HD2  ASN  32          2HD2      ASN  32   6.410   5.437   6.373
  236    H    ARG  33           HN       ARG  33   5.887   5.394   1.223
  237    HA   ARG  33           HA       ARG  33   7.709   3.234   1.189
  238   1HB   ARG  33          HB2       ARG  33   7.371   4.744  -0.717
  239   2HB   ARG  33          HB1       ARG  33   8.082   6.065   0.194
  240   1HG   ARG  33          HG2       ARG  33  10.204   4.826   0.299
  241   2HG   ARG  33          HG1       ARG  33   9.485   3.547  -0.674
  242   1HD   ARG  33          HD2       ARG  33  10.842   5.078  -2.020
  243   2HD   ARG  33          HD1       ARG  33   9.145   5.099  -2.505
  244    HE   ARG  33           HE       ARG  33   9.234   7.154  -0.793
  245   1HH1  ARG  33          1HH1      ARG  33  11.365   6.288  -3.425
  246   2HH1  ARG  33          2HH1      ARG  33  11.771   7.934  -3.804
  247   1HH2  ARG  33          1HH2      ARG  33   9.757   9.311  -1.289
  248   2HH2  ARG  33          2HH2      ARG  33  10.868   9.656  -2.581
  249    H    CYS  34           HN       CYS  34   8.126   3.023   3.473
  250    HA   CYS  34           HA       CYS  34  10.691   4.144   4.085
  251   1HB   CYS  34          HB2       CYS  34   8.996   5.832   4.985
  252   2HB   CYS  34          HB1       CYS  34   8.499   4.584   6.121
  253    HG   CYS  34           HG       CYS  34  10.563   6.792   6.783
  Start of MODEL   12
    1   1H    ALA   1           HT1      ALA   1  -2.189   0.187  -8.430
    2   2H    ALA   1           HT2      ALA   1  -3.350   1.062  -7.554
    3   3H    ALA   1           HT3      ALA   1  -3.815   0.151  -8.905
    4    HA   ALA   1           HA       ALA   1  -3.241  -1.880  -7.801
    5   1HB   ALA   1          HB1       ALA   1  -1.394  -1.006  -6.464
    6   2HB   ALA   1          HB2       ALA   1  -2.558  -1.866  -5.452
    7   3HB   ALA   1          HB3       ALA   1  -2.534  -0.103  -5.469
    8    H    SER   2           HN       SER   2  -5.205  -2.711  -7.618
    9    HA   SER   2           HA       SER   2  -7.382  -1.220  -6.431
   10   1HB   SER   2          HB2       SER   2  -7.390  -4.085  -7.412
   11   2HB   SER   2          HB1       SER   2  -8.779  -3.017  -7.209
   12    HG   SER   2           HG       SER   2  -6.747  -2.951  -9.165
   13    H    CYS   3           HN       CYS   3  -7.380  -1.104  -4.263
   14    HA   CYS   3           HA       CYS   3  -6.361  -3.405  -2.761
   15   1HB   CYS   3          HB2       CYS   3  -4.926  -1.637  -2.348
   16   2HB   CYS   3          HB1       CYS   3  -6.234  -0.473  -2.322
   17    H    ARG   4           HN       ARG   4  -7.191  -3.836  -0.740
   18    HA   ARG   4           HA       ARG   4  -9.922  -2.948  -0.191
   19   1HB   ARG   4          HB2       ARG   4  -8.689  -5.654  -0.207
   20   2HB   ARG   4          HB1       ARG   4  -9.875  -5.313   1.021
   21   1HG   ARG   4          HG2       ARG   4 -11.030  -6.346  -0.756
   22   2HG   ARG   4          HG1       ARG   4 -11.450  -4.636  -0.820
   23   1HD   ARG   4          HD2       ARG   4 -10.998  -5.491  -3.051
   24   2HD   ARG   4          HD1       ARG   4  -9.781  -4.299  -2.586
   25    HE   ARG   4           HE       ARG   4  -8.750  -6.769  -1.881
   26   1HH1  ARG   4          1HH1      ARG   4  -9.830  -5.253  -4.863
   27   2HH1  ARG   4          2HH1      ARG   4  -8.675  -6.094  -5.845
   28   1HH2  ARG   4          1HH2      ARG   4  -7.236  -7.862  -3.178
   29   2HH2  ARG   4          2HH2      ARG   4  -7.211  -7.594  -4.891
   30    H    THR   5           HN       THR   5  -6.732  -3.480   0.903
   31    HA   THR   5           HA       THR   5  -7.158  -2.184   3.414
   32    HB   THR   5           HB       THR   5  -5.918  -4.141   4.613
   33    HG1  THR   5           HG1      THR   5  -7.370  -5.884   3.006
   34   1HG2  THR   5          1HG2      THR   5  -8.850  -4.385   3.947
   35   2HG2  THR   5          2HG2      THR   5  -8.160  -3.402   5.238
   36   3HG2  THR   5          3HG2      THR   5  -8.036  -5.161   5.304
   37    HA   PRO   6           HA       PRO   6  -2.983  -0.865   2.673
   38   1HB   PRO   6          HB2       PRO   6  -2.316  -1.585   5.486
   39   2HB   PRO   6          HB1       PRO   6  -2.145  -0.054   4.647
   40   1HG   PRO   6          HG2       PRO   6  -4.059  -0.377   6.431
   41   2HG   PRO   6          HG1       PRO   6  -4.354   0.526   4.934
   42   1HD   PRO   6          HD2       PRO   6  -5.111  -2.266   5.628
   43   2HD   PRO   6          HD1       PRO   6  -6.050  -1.029   4.776
   44    H    LYS   7           HN       LYS   7  -3.209  -3.723   4.753
   45    HA   LYS   7           HA       LYS   7  -0.837  -4.984   4.098
   46   1HB   LYS   7          HB2       LYS   7  -2.150  -5.756   5.944
   47   2HB   LYS   7          HB1       LYS   7  -3.532  -6.073   4.909
   48   1HG   LYS   7          HG2       LYS   7  -2.485  -8.141   5.535
   49   2HG   LYS   7          HG1       LYS   7  -2.275  -7.866   3.807
   50   1HD   LYS   7          HD2       LYS   7  -0.003  -6.944   4.326
   51   2HD   LYS   7          HD1       LYS   7  -0.230  -7.493   5.990
   52   1HE   LYS   7          HE2       LYS   7  -0.268  -9.219   3.517
   53   2HE   LYS   7          HE1       LYS   7   1.036  -9.119   4.691
   54   1HZ   LYS   7          HZ1       LYS   7  -0.353 -11.063   5.061
   55   2HZ   LYS   7          HZ2       LYS   7  -1.715 -10.072   5.267
   56   3HZ   LYS   7          HZ3       LYS   7  -0.437  -9.998   6.379
   57    H    ASP   8           HN       ASP   8  -3.746  -4.600   2.204
   58    HA   ASP   8           HA       ASP   8  -3.327  -6.938   0.583
   59   1HB   ASP   8          HB2       ASP   8  -5.552  -5.761   0.946
   60   2HB   ASP   8          HB1       ASP   8  -4.973  -4.515  -0.149
   61    H    CYS   9           HN       CYS   9  -1.987  -3.810   0.688
   62    HA   CYS   9           HA       CYS   9  -0.932  -4.060  -2.024
   63   1HB   CYS   9          HB2       CYS   9  -0.923  -1.679  -0.170
   64   2HB   CYS   9          HB1       CYS   9  -0.341  -1.704  -1.819
   65    H    ALA  10           HN       ALA  10  -0.047  -5.263   0.750
   66    HA   ALA  10           HA       ALA  10   2.372  -3.973   1.387
   67   1HB   ALA  10          HB1       ALA  10   1.197  -5.429   2.976
   68   2HB   ALA  10          HB2       ALA  10   2.875  -5.929   2.752
   69   3HB   ALA  10          HB3       ALA  10   1.575  -6.829   1.969
   70    H    ASP  11           HN       ASP  11   1.593  -6.570  -0.833
   71    HA   ASP  11           HA       ASP  11   4.365  -7.107  -1.402
   72   1HB   ASP  11          HB2       ASP  11   2.605  -8.834  -1.712
   73   2HB   ASP  11          HB1       ASP  11   1.944  -7.889  -3.039
   74    HA   PRO  12           HA       PRO  12   3.265  -4.477  -5.423
   75   1HB   PRO  12          HB2       PRO  12   1.263  -2.634  -4.675
   76   2HB   PRO  12          HB1       PRO  12   1.130  -3.917  -5.874
   77   1HG   PRO  12          HG2       PRO  12   0.224  -3.857  -3.061
   78   2HG   PRO  12          HG1       PRO  12  -0.429  -4.752  -4.440
   79   1HD   PRO  12          HD2       PRO  12   0.980  -5.962  -2.483
   80   2HD   PRO  12          HD1       PRO  12   1.049  -6.497  -4.175
   81    H    CYS  13           HN       CYS  13   2.736  -3.054  -2.151
   82    HA   CYS  13           HA       CYS  13   4.179  -0.689  -2.836
   83   1HB   CYS  13          HB2       CYS  13   3.171  -1.888  -0.283
   84   2HB   CYS  13          HB1       CYS  13   4.252  -0.511  -0.247
   85    H    ARG  14           HN       ARG  14   5.059  -3.808  -1.515
   86    HA   ARG  14           HA       ARG  14   7.733  -3.062  -0.896
   87   1HB   ARG  14          HB2       ARG  14   6.712  -5.028   0.127
   88   2HB   ARG  14          HB1       ARG  14   6.510  -5.773  -1.442
   89   1HG   ARG  14          HG2       ARG  14   8.909  -5.965  -1.694
   90   2HG   ARG  14          HG1       ARG  14   9.156  -5.138  -0.156
   91   1HD   ARG  14          HD2       ARG  14   9.374  -7.574   0.052
   92   2HD   ARG  14          HD1       ARG  14   8.043  -6.941   1.017
   93    HE   ARG  14           HE       ARG  14   7.106  -7.770  -1.519
   94   1HH1  ARG  14          1HH1      ARG  14   8.270  -9.067   1.514
   95   2HH1  ARG  14          2HH1      ARG  14   7.325 -10.527   1.394
   96   1HH2  ARG  14          1HH2      ARG  14   5.838  -9.688  -1.663
   97   2HH2  ARG  14          2HH2      ARG  14   5.967 -10.877  -0.398
   98    H    LYS  15           HN       LYS  15   6.052  -3.823  -3.782
   99    HA   LYS  15           HA       LYS  15   8.463  -4.265  -5.312
  100   1HB   LYS  15          HB2       LYS  15   6.229  -5.396  -5.753
  101   2HB   LYS  15          HB1       LYS  15   5.653  -3.833  -6.319
  102   1HG   LYS  15          HG2       LYS  15   6.299  -5.129  -8.210
  103   2HG   LYS  15          HG1       LYS  15   7.482  -3.831  -7.999
  104   1HD   LYS  15          HD2       LYS  15   8.721  -5.665  -6.564
  105   2HD   LYS  15          HD1       LYS  15   7.769  -6.765  -7.566
  106   1HE   LYS  15          HE2       LYS  15   9.944  -6.371  -8.571
  107   2HE   LYS  15          HE1       LYS  15   8.669  -5.682  -9.577
  108   1HZ   LYS  15          HZ1       LYS  15  10.605  -4.208  -9.297
  109   2HZ   LYS  15          HZ2       LYS  15  10.291  -4.130  -7.629
  110   3HZ   LYS  15          HZ3       LYS  15   9.164  -3.508  -8.738
  111    H    GLU  16           HN       GLU  16   6.092  -1.775  -4.693
  112    HA   GLU  16           HA       GLU  16   6.968   0.037  -6.683
  113   1HB   GLU  16          HB2       GLU  16   4.933  -0.176  -4.608
  114   2HB   GLU  16          HB1       GLU  16   5.540   1.438  -4.813
  115   1HG   GLU  16          HG2       GLU  16   4.358  -0.281  -6.963
  116   2HG   GLU  16          HG1       GLU  16   3.563   1.075  -6.173
  117    H    THR  17           HN       THR  17   7.137   0.035  -3.137
  118    HA   THR  17           HA       THR  17   9.085   2.232  -3.290
  119    HB   THR  17           HB       THR  17   7.483   1.353  -0.876
  120    HG1  THR  17           HG1      THR  17   6.909   3.533  -2.636
  121   1HG2  THR  17          1HG2      THR  17   9.478   2.671  -0.359
  122   2HG2  THR  17          2HG2      THR  17   8.013   3.599  -0.038
  123   3HG2  THR  17          3HG2      THR  17   8.957   3.919  -1.491
  124    H    GLY  18           HN       GLY  18   8.484  -0.989  -2.295
  125   1HA   GLY  18          HA2       GLY  18  10.298  -2.517  -2.100
  126   2HA   GLY  18          HA1       GLY  18  11.285  -1.227  -1.426
  127    H    CYS  19           HN       CYS  19   8.642  -0.576   0.095
  128    HA   CYS  19           HA       CYS  19   9.200  -2.405   2.311
  129   1HB   CYS  19          HB2       CYS  19   8.019   0.368   2.342
  130   2HB   CYS  19          HB1       CYS  19   8.400  -0.603   3.748
  131    HG   CYS  19           HG       CYS  19  11.214  -0.662   2.596
  132    HA   PRO  20           HA       PRO  20   5.025  -3.843   1.686
  133   1HB   PRO  20          HB2       PRO  20   4.881  -5.530   3.773
  134   2HB   PRO  20          HB1       PRO  20   5.900  -5.876   2.371
  135   1HG   PRO  20          HG2       PRO  20   6.672  -4.778   5.045
  136   2HG   PRO  20          HG1       PRO  20   7.489  -6.004   4.058
  137   1HD   PRO  20          HD2       PRO  20   8.247  -3.372   4.165
  138   2HD   PRO  20          HD1       PRO  20   8.553  -4.433   2.776
  139    H    TYR  21           HN       TYR  21   5.078  -1.284   2.758
  140    HA   TYR  21           HA       TYR  21   3.022  -1.459   4.830
  141   1HB   TYR  21          HB2       TYR  21   5.354   0.445   4.728
  142   2HB   TYR  21          HB1       TYR  21   3.987   0.601   5.806
  143    HD1  TYR  21           HD1      TYR  21   3.514  -1.378   7.399
  144    HD2  TYR  21           HD2      TYR  21   7.222  -0.785   5.387
  145    HE1  TYR  21           HE1      TYR  21   4.632  -2.831   9.039
  146    HE2  TYR  21           HE2      TYR  21   8.347  -2.240   7.022
  147    HH   TYR  21           HH       TYR  21   6.721  -4.296   9.065
  148    H    GLY  22           HN       GLY  22   2.142   0.933   5.057
  149   1HA   GLY  22          HA2       GLY  22   1.777   2.887   3.435
  150   2HA   GLY  22          HA1       GLY  22   1.222   1.608   2.369
  151    H    LYS  23           HN       LYS  23  -0.710   3.082   2.449
  152    HA   LYS  23           HA       LYS  23  -2.574   2.017   4.423
  153   1HB   LYS  23          HB2       LYS  23  -1.471   4.455   4.932
  154   2HB   LYS  23          HB1       LYS  23  -2.857   4.907   3.951
  155   1HG   LYS  23          HG2       LYS  23  -3.454   5.006   6.275
  156   2HG   LYS  23          HG1       LYS  23  -4.326   3.683   5.500
  157   1HD   LYS  23          HD2       LYS  23  -3.479   2.996   7.679
  158   2HD   LYS  23          HD1       LYS  23  -2.683   2.088   6.390
  159   1HE   LYS  23          HE2       LYS  23  -0.765   3.625   6.522
  160   2HE   LYS  23          HE1       LYS  23  -1.557   4.479   7.843
  161   1HZ   LYS  23          HZ1       LYS  23   0.076   2.902   8.655
  162   2HZ   LYS  23          HZ2       LYS  23  -0.732   1.623   7.894
  163   3HZ   LYS  23          HZ3       LYS  23  -1.477   2.465   9.167
  164    H    CYS  24           HN       CYS  24  -4.701   2.025   3.671
  165    HA   CYS  24           HA       CYS  24  -4.795   2.193   0.750
  166   1HB   CYS  24          HB2       CYS  24  -5.215   0.020   1.976
  167   2HB   CYS  24          HB1       CYS  24  -6.679   0.744   2.624
  168    H    MET  25           HN       MET  25  -6.583   3.177  -0.331
  169    HA   MET  25           HA       MET  25  -8.184   4.978   1.363
  170   1HB   MET  25          HB2       MET  25  -6.759   5.889  -0.549
  171   2HB   MET  25          HB1       MET  25  -7.910   5.107  -1.607
  172   1HG   MET  25          HG2       MET  25  -9.700   6.478  -0.780
  173   2HG   MET  25          HG1       MET  25  -8.631   7.189   0.423
  174   1HE   MET  25          HE1       MET  25 -10.420   8.922  -1.558
  175   2HE   MET  25          HE2       MET  25  -9.273  10.169  -2.047
  176   3HE   MET  25          HE3       MET  25  -9.337   9.641  -0.366
  177    H    ASN  26           HN       ASN  26 -10.477   5.293   0.370
  178    HA   ASN  26           HA       ASN  26 -11.991   3.100   0.791
  179   1HB   ASN  26          HB2       ASN  26 -12.958   5.318   0.516
  180   2HB   ASN  26          HB1       ASN  26 -12.617   5.257  -1.202
  181   1HD2  ASN  26          1HD2      ASN  26 -14.621   4.041   1.365
  182   2HD2  ASN  26          2HD2      ASN  26 -15.843   3.359   0.346
  183    H    ARG  27           HN       ARG  27 -11.178   4.148  -2.516
  184    HA   ARG  27           HA       ARG  27 -11.087   1.299  -3.231
  185   1HB   ARG  27          HB2       ARG  27 -12.210   3.568  -4.841
  186   2HB   ARG  27          HB1       ARG  27 -11.807   2.017  -5.545
  187   1HG   ARG  27          HG2       ARG  27 -13.776   2.388  -3.300
  188   2HG   ARG  27          HG1       ARG  27 -14.219   2.336  -5.004
  189   1HD   ARG  27          HD2       ARG  27 -14.592   0.157  -4.229
  190   2HD   ARG  27          HD1       ARG  27 -13.044   0.068  -5.063
  191    HE   ARG  27           HE       ARG  27 -12.284   0.512  -2.524
  192   1HH1  ARG  27          1HH1      ARG  27 -14.575  -1.745  -3.890
  193   2HH1  ARG  27          2HH1      ARG  27 -14.321  -2.948  -2.655
  194   1HH2  ARG  27          1HH2      ARG  27 -11.936  -1.049  -0.907
  195   2HH2  ARG  27          2HH2      ARG  27 -12.805  -2.554  -0.960
  196    H    LYS  28           HN       LYS  28  -8.977   3.233  -2.406
  197    HA   LYS  28           HA       LYS  28  -7.232   2.865  -4.725
  198   1HB   LYS  28          HB2       LYS  28  -7.607   5.377  -3.141
  199   2HB   LYS  28          HB1       LYS  28  -6.083   5.039  -3.935
  200   1HG   LYS  28          HG2       LYS  28  -7.147   6.348  -5.491
  201   2HG   LYS  28          HG1       LYS  28  -7.556   4.726  -6.052
  202   1HD   LYS  28          HD2       LYS  28  -9.721   4.893  -4.896
  203   2HD   LYS  28          HD1       LYS  28  -9.311   6.533  -4.386
  204   1HE   LYS  28          HE2       LYS  28  -9.070   7.145  -6.781
  205   2HE   LYS  28          HE1       LYS  28  -9.654   5.538  -7.204
  206   1HZ   LYS  28          HZ1       LYS  28 -11.718   6.046  -6.001
  207   2HZ   LYS  28          HZ2       LYS  28 -11.450   7.106  -7.292
  208   3HZ   LYS  28          HZ3       LYS  28 -11.150   7.617  -5.703
  209    H    CYS  29           HN       CYS  29  -4.905   3.404  -3.858
  210    HA   CYS  29           HA       CYS  29  -4.532   2.599  -1.109
  211   1HB   CYS  29          HB2       CYS  29  -4.633   0.572  -2.679
  212   2HB   CYS  29          HB1       CYS  29  -3.068   1.122  -3.255
  213    H    LYS  30           HN       LYS  30  -2.666   3.305  -0.241
  214    HA   LYS  30           HA       LYS  30  -0.662   4.487  -2.040
  215   1HB   LYS  30          HB2       LYS  30  -2.190   6.182  -0.853
  216   2HB   LYS  30          HB1       LYS  30  -1.336   5.708   0.596
  217   1HG   LYS  30          HG2       LYS  30   0.781   6.374  -0.427
  218   2HG   LYS  30          HG1       LYS  30  -0.094   6.908  -1.857
  219   1HD   LYS  30          HD2       LYS  30  -0.422   8.012   0.928
  220   2HD   LYS  30          HD1       LYS  30   0.461   8.782  -0.377
  221   1HE   LYS  30          HE2       LYS  30  -1.529   9.882  -0.533
  222   2HE   LYS  30          HE1       LYS  30  -1.828   8.539  -1.635
  223   1HZ   LYS  30          HZ1       LYS  30  -2.942   7.379   0.201
  224   2HZ   LYS  30          HZ2       LYS  30  -3.699   8.841  -0.182
  225   3HZ   LYS  30          HZ3       LYS  30  -2.711   8.737   1.185
  226    H    CYS  31           HN       CYS  31   1.452   4.296  -1.335
  227    HA   CYS  31           HA       CYS  31   1.917   2.285   0.667
  228   1HB   CYS  31          HB2       CYS  31   3.772   3.706  -1.235
  229   2HB   CYS  31          HB1       CYS  31   4.186   2.365  -0.216
  230    H    ASN  32           HN       ASN  32   4.049   2.722   1.921
  231    HA   ASN  32           HA       ASN  32   3.603   4.997   3.557
  232   1HB   ASN  32          HB2       ASN  32   5.484   4.118   4.851
  233   2HB   ASN  32          HB1       ASN  32   4.304   2.875   4.527
  234   1HD2  ASN  32          1HD2      ASN  32   7.268   2.909   5.124
  235   2HD2  ASN  32          2HD2      ASN  32   7.957   1.917   3.881
  236    H    ARG  33           HN       ARG  33   4.032   6.008   1.187
  237    HA   ARG  33           HA       ARG  33   6.787   6.929   0.986
  238   1HB   ARG  33          HB2       ARG  33   5.400   6.451  -1.050
  239   2HB   ARG  33          HB1       ARG  33   4.379   7.816  -0.610
  240   1HG   ARG  33          HG2       ARG  33   6.779   9.021  -0.571
  241   2HG   ARG  33          HG1       ARG  33   7.084   7.772  -1.782
  242   1HD   ARG  33          HD2       ARG  33   6.300   9.768  -2.877
  243   2HD   ARG  33          HD1       ARG  33   5.067   8.514  -3.000
  244    HE   ARG  33           HE       ARG  33   4.400   9.937  -0.756
  245   1HH1  ARG  33          1HH1      ARG  33   4.918  10.741  -4.133
  246   2HH1  ARG  33          2HH1      ARG  33   3.763  12.046  -4.125
  247   1HH2  ARG  33          1HH2      ARG  33   2.884  11.646  -0.744
  248   2HH2  ARG  33          2HH2      ARG  33   2.625  12.574  -2.192
  249    H    CYS  34           HN       CYS  34   7.375   8.457   2.419
  250    HA   CYS  34           HA       CYS  34   5.600  10.752   2.796
  251   1HB   CYS  34          HB2       CYS  34   5.257   9.133   4.684
  252   2HB   CYS  34          HB1       CYS  34   6.956   9.321   5.093
  253    HG   CYS  34           HG       CYS  34   6.681  11.386   6.577
  Start of MODEL   13
    1   1H    ALA   1           HT1      ALA   1  -1.313  -1.878  -9.496
    2   2H    ALA   1           HT2      ALA   1  -2.436  -0.615  -9.321
    3   3H    ALA   1           HT3      ALA   1  -2.970  -2.182  -9.701
    4    HA   ALA   1           HA       ALA   1  -2.244  -3.002  -7.587
    5   1HB   ALA   1          HB1       ALA   1  -1.480  -0.144  -7.001
    6   2HB   ALA   1          HB2       ALA   1  -0.347  -1.460  -7.316
    7   3HB   ALA   1          HB3       ALA   1  -1.379  -1.510  -5.885
    8    H    SER   2           HN       SER   2  -4.152  -3.493  -6.793
    9    HA   SER   2           HA       SER   2  -6.107  -1.350  -6.336
   10   1HB   SER   2          HB2       SER   2  -6.778  -3.337  -7.764
   11   2HB   SER   2          HB1       SER   2  -6.600  -4.340  -6.325
   12    HG   SER   2           HG       SER   2  -8.761  -3.202  -6.999
   13    H    CYS   3           HN       CYS   3  -7.608  -2.470  -4.337
   14    HA   CYS   3           HA       CYS   3  -5.939  -3.487  -2.257
   15   1HB   CYS   3          HB2       CYS   3  -5.147  -1.307  -1.976
   16   2HB   CYS   3          HB1       CYS   3  -6.746  -0.617  -2.180
   17    H    ARG   4           HN       ARG   4  -6.918  -4.157  -0.581
   18    HA   ARG   4           HA       ARG   4  -9.800  -3.808  -0.216
   19   1HB   ARG   4          HB2       ARG   4  -7.997  -6.185   0.056
   20   2HB   ARG   4          HB1       ARG   4  -9.482  -6.083   0.971
   21   1HG   ARG   4          HG2       ARG   4 -10.813  -6.132  -0.960
   22   2HG   ARG   4          HG1       ARG   4  -9.431  -5.772  -2.001
   23   1HD   ARG   4          HD2       ARG   4  -9.808  -8.303  -0.406
   24   2HD   ARG   4          HD1       ARG   4 -10.117  -8.132  -2.132
   25    HE   ARG   4           HE       ARG   4  -7.457  -7.344  -1.444
   26   1HH1  ARG   4          1HH1      ARG   4  -9.495 -10.114  -2.068
   27   2HH1  ARG   4          2HH1      ARG   4  -8.185 -11.154  -2.527
   28   1HH2  ARG   4          1HH2      ARG   4  -5.714  -8.680  -2.041
   29   2HH2  ARG   4          2HH2      ARG   4  -6.022 -10.323  -2.551
   30    H    THR   5           HN       THR   5  -6.643  -3.717   0.993
   31    HA   THR   5           HA       THR   5  -7.258  -2.326   3.371
   32    HB   THR   5           HB       THR   5  -5.824  -4.139   4.708
   33    HG1  THR   5           HG1      THR   5  -7.438  -5.959   3.348
   34   1HG2  THR   5          1HG2      THR   5  -8.807  -4.388   4.308
   35   2HG2  THR   5          2HG2      THR   5  -8.000  -3.280   5.421
   36   3HG2  THR   5          3HG2      THR   5  -7.889  -5.020   5.672
   37    HA   PRO   6           HA       PRO   6  -3.099  -0.792   2.723
   38   1HB   PRO   6          HB2       PRO   6  -2.536  -1.495   5.565
   39   2HB   PRO   6          HB1       PRO   6  -2.298   0.017   4.712
   40   1HG   PRO   6          HG2       PRO   6  -4.306  -0.240   6.393
   41   2HG   PRO   6          HG1       PRO   6  -4.514   0.627   4.858
   42   1HD   PRO   6          HD2       PRO   6  -5.366  -2.119   5.606
   43   2HD   PRO   6          HD1       PRO   6  -6.205  -0.905   4.625
   44    H    LYS   7           HN       LYS   7  -3.270  -3.668   4.801
   45    HA   LYS   7           HA       LYS   7  -0.741  -4.685   4.147
   46   1HB   LYS   7          HB2       LYS   7  -3.220  -5.913   5.301
   47   2HB   LYS   7          HB1       LYS   7  -1.822  -6.905   4.919
   48   1HG   LYS   7          HG2       LYS   7  -0.447  -5.516   6.411
   49   2HG   LYS   7          HG1       LYS   7  -1.885  -4.577   6.825
   50   1HD   LYS   7          HD2       LYS   7  -2.934  -6.492   7.806
   51   2HD   LYS   7          HD1       LYS   7  -1.653  -7.558   7.219
   52   1HE   LYS   7          HE2       LYS   7  -1.322  -7.121   9.569
   53   2HE   LYS   7          HE1       LYS   7  -0.041  -6.346   8.642
   54   1HZ   LYS   7          HZ1       LYS   7  -0.758  -4.830  10.285
   55   2HZ   LYS   7          HZ2       LYS   7  -2.395  -5.053   9.896
   56   3HZ   LYS   7          HZ3       LYS   7  -1.366  -4.256   8.808
   57    H    ASP   8           HN       ASP   8  -3.606  -4.526   2.283
   58    HA   ASP   8           HA       ASP   8  -3.022  -6.933   0.762
   59   1HB   ASP   8          HB2       ASP   8  -5.353  -6.123   1.082
   60   2HB   ASP   8          HB1       ASP   8  -4.959  -4.697   0.129
   61    H    CYS   9           HN       CYS   9  -2.204  -3.602   0.707
   62    HA   CYS   9           HA       CYS   9  -1.081  -3.763  -1.972
   63   1HB   CYS   9          HB2       CYS   9  -0.889  -1.378  -0.168
   64   2HB   CYS   9          HB1       CYS   9  -0.946  -1.447  -1.921
   65    H    ALA  10           HN       ALA  10  -0.103  -4.784   0.901
   66    HA   ALA  10           HA       ALA  10   2.364  -3.496   1.304
   67   1HB   ALA  10          HB1       ALA  10   1.529  -6.271   2.151
   68   2HB   ALA  10          HB2       ALA  10   1.236  -4.789   3.059
   69   3HB   ALA  10          HB3       ALA  10   2.886  -5.355   2.803
   70    H    ASP  11           HN       ASP  11   1.364  -5.926  -0.907
   71    HA   ASP  11           HA       ASP  11   4.057  -6.842  -1.406
   72   1HB   ASP  11          HB2       ASP  11   2.111  -8.376  -1.637
   73   2HB   ASP  11          HB1       ASP  11   1.555  -7.428  -2.998
   74    HA   PRO  12           HA       PRO  12   3.227  -4.166  -5.439
   75   1HB   PRO  12          HB2       PRO  12   1.196  -2.295  -4.390
   76   2HB   PRO  12          HB1       PRO  12   1.311  -3.059  -5.974
   77   1HG   PRO  12          HG2       PRO  12  -0.511  -3.808  -4.165
   78   2HG   PRO  12          HG1       PRO  12   0.220  -4.954  -5.300
   79   1HD   PRO  12          HD2       PRO  12   0.753  -4.553  -2.398
   80   2HD   PRO  12          HD1       PRO  12   0.780  -6.026  -3.360
   81    H    CYS  13           HN       CYS  13   2.661  -2.670  -2.242
   82    HA   CYS  13           HA       CYS  13   4.107  -0.310  -2.882
   83   1HB   CYS  13          HB2       CYS  13   3.091  -1.555  -0.356
   84   2HB   CYS  13          HB1       CYS  13   4.200  -0.198  -0.275
   85    H    ARG  14           HN       ARG  14   5.036  -3.440  -1.634
   86    HA   ARG  14           HA       ARG  14   7.672  -2.658  -0.955
   87   1HB   ARG  14          HB2       ARG  14   6.299  -4.699  -0.161
   88   2HB   ARG  14          HB1       ARG  14   6.776  -5.449  -1.672
   89   1HG   ARG  14          HG2       ARG  14   8.828  -4.342   0.187
   90   2HG   ARG  14          HG1       ARG  14   8.122  -5.938   0.449
   91   1HD   ARG  14          HD2       ARG  14   8.871  -6.679  -1.698
   92   2HD   ARG  14          HD1       ARG  14   9.452  -5.061  -2.095
   93    HE   ARG  14           HE       ARG  14  10.785  -5.664   0.174
   94   1HH1  ARG  14          1HH1      ARG  14  10.393  -7.298  -2.898
   95   2HH1  ARG  14          2HH1      ARG  14  11.957  -8.058  -2.835
   96   1HH2  ARG  14          1HH2      ARG  14  12.817  -6.680   0.272
   97   2HH2  ARG  14          2HH2      ARG  14  13.338  -7.711  -1.019
   98    H    LYS  15           HN       LYS  15   6.042  -3.459  -3.895
   99    HA   LYS  15           HA       LYS  15   8.513  -3.893  -5.356
  100   1HB   LYS  15          HB2       LYS  15   5.687  -3.518  -6.348
  101   2HB   LYS  15          HB1       LYS  15   7.061  -3.955  -7.351
  102   1HG   LYS  15          HG2       LYS  15   7.300  -6.049  -6.115
  103   2HG   LYS  15          HG1       LYS  15   5.908  -5.612  -5.116
  104   1HD   LYS  15          HD2       LYS  15   4.520  -5.511  -7.155
  105   2HD   LYS  15          HD1       LYS  15   5.909  -6.035  -8.106
  106   1HE   LYS  15          HE2       LYS  15   4.672  -7.605  -5.851
  107   2HE   LYS  15          HE1       LYS  15   4.323  -7.864  -7.557
  108   1HZ   LYS  15          HZ1       LYS  15   5.977  -9.414  -6.681
  109   2HZ   LYS  15          HZ2       LYS  15   7.009  -8.119  -6.326
  110   3HZ   LYS  15          HZ3       LYS  15   6.606  -8.463  -7.934
  111    H    GLU  16           HN       GLU  16   6.131  -1.383  -4.846
  112    HA   GLU  16           HA       GLU  16   7.130   0.389  -6.840
  113   1HB   GLU  16          HB2       GLU  16   4.908   0.114  -5.039
  114   2HB   GLU  16          HB1       GLU  16   5.526   1.740  -4.999
  115   1HG   GLU  16          HG2       GLU  16   3.728   1.500  -6.630
  116   2HG   GLU  16          HG1       GLU  16   5.247   1.948  -7.400
  117    H    THR  17           HN       THR  17   7.057   0.381  -3.305
  118    HA   THR  17           HA       THR  17   8.957   2.632  -3.320
  119    HB   THR  17           HB       THR  17   7.034   1.754  -1.152
  120    HG1  THR  17           HG1      THR  17   6.977   3.796  -3.127
  121   1HG2  THR  17          1HG2      THR  17   7.643   3.822  -0.011
  122   2HG2  THR  17          2HG2      THR  17   8.804   4.200  -1.286
  123   3HG2  THR  17          3HG2      THR  17   9.064   2.803  -0.240
  124    H    GLY  18           HN       GLY  18   8.388  -0.609  -2.366
  125   1HA   GLY  18          HA2       GLY  18  10.081  -2.124  -1.825
  126   2HA   GLY  18          HA1       GLY  18  11.114  -0.791  -1.317
  127    H    CYS  19           HN       CYS  19   8.288  -0.026  -0.047
  128    HA   CYS  19           HA       CYS  19   8.884  -1.325   2.497
  129   1HB   CYS  19          HB2       CYS  19   7.187   1.116   1.983
  130   2HB   CYS  19          HB1       CYS  19   7.780   0.540   3.528
  131    HG   CYS  19           HG       CYS  19  10.506   1.043   2.830
  132    HA   PRO  20           HA       PRO  20   5.041  -3.519   1.617
  133   1HB   PRO  20          HB2       PRO  20   5.193  -5.254   3.675
  134   2HB   PRO  20          HB1       PRO  20   6.195  -5.425   2.226
  135   1HG   PRO  20          HG2       PRO  20   6.906  -4.290   4.902
  136   2HG   PRO  20          HG1       PRO  20   7.846  -5.372   3.863
  137   1HD   PRO  20          HD2       PRO  20   8.264  -2.678   4.004
  138   2HD   PRO  20          HD1       PRO  20   8.621  -3.647   2.563
  139    H    TYR  21           HN       TYR  21   4.971  -0.988   2.961
  140    HA   TYR  21           HA       TYR  21   2.849  -1.458   4.918
  141   1HB   TYR  21          HB2       TYR  21   4.849   0.795   4.996
  142   2HB   TYR  21          HB1       TYR  21   3.620   0.430   6.178
  143    HD1  TYR  21           HD1      TYR  21   3.898  -1.377   7.770
  144    HD2  TYR  21           HD2      TYR  21   6.922  -0.477   4.918
  145    HE1  TYR  21           HE1      TYR  21   5.490  -2.747   9.037
  146    HE2  TYR  21           HE2      TYR  21   8.526  -1.847   6.181
  147    HH   TYR  21           HH       TYR  21   7.516  -3.857   8.863
  148    H    GLY  22           HN       GLY  22   1.581   0.694   5.173
  149   1HA   GLY  22          HA2       GLY  22   1.408   2.756   3.491
  150   2HA   GLY  22          HA1       GLY  22   0.771   1.450   2.510
  151    H    LYS  23           HN       LYS  23  -1.027   3.070   2.580
  152    HA   LYS  23           HA       LYS  23  -2.960   2.176   4.591
  153   1HB   LYS  23          HB2       LYS  23  -1.861   4.511   5.096
  154   2HB   LYS  23          HB1       LYS  23  -2.936   5.051   3.812
  155   1HG   LYS  23          HG2       LYS  23  -4.867   4.301   5.026
  156   2HG   LYS  23          HG1       LYS  23  -3.843   3.613   6.291
  157   1HD   LYS  23          HD2       LYS  23  -4.059   6.527   5.553
  158   2HD   LYS  23          HD1       LYS  23  -4.740   5.762   6.990
  159   1HE   LYS  23          HE2       LYS  23  -1.810   5.852   6.310
  160   2HE   LYS  23          HE1       LYS  23  -2.612   6.968   7.417
  161   1HZ   LYS  23          HZ1       LYS  23  -3.253   4.994   8.755
  162   2HZ   LYS  23          HZ2       LYS  23  -1.582   5.250   8.679
  163   3HZ   LYS  23          HZ3       LYS  23  -2.293   4.031   7.740
  164    H    CYS  24           HN       CYS  24  -5.165   2.408   3.802
  165    HA   CYS  24           HA       CYS  24  -5.155   2.404   0.859
  166   1HB   CYS  24          HB2       CYS  24  -5.596   0.239   2.089
  167   2HB   CYS  24          HB1       CYS  24  -7.069   0.962   2.709
  168    H    MET  25           HN       MET  25  -6.739   3.524  -0.262
  169    HA   MET  25           HA       MET  25  -8.308   5.436   1.317
  170   1HB   MET  25          HB2       MET  25  -6.812   6.255  -0.491
  171   2HB   MET  25          HB1       MET  25  -7.790   5.357  -1.632
  172   1HG   MET  25          HG2       MET  25  -8.270   7.799  -1.524
  173   2HG   MET  25          HG1       MET  25  -9.666   6.752  -1.275
  174   1HE   MET  25          HE1       MET  25  -7.479   9.029   2.089
  175   2HE   MET  25          HE2       MET  25  -7.077   9.183   0.377
  176   3HE   MET  25          HE3       MET  25  -6.760   7.670   1.225
  177    H    ASN  26           HN       ASN  26 -10.498   5.949   0.095
  178    HA   ASN  26           HA       ASN  26 -12.412   4.190   0.595
  179   1HB   ASN  26          HB2       ASN  26 -12.234   6.054  -1.729
  180   2HB   ASN  26          HB1       ASN  26 -13.671   5.071  -1.468
  181   1HD2  ASN  26          1HD2      ASN  26 -13.298   7.987  -1.384
  182   2HD2  ASN  26          2HD2      ASN  26 -13.847   8.471   0.179
  183    H    ARG  27           HN       ARG  27 -11.169   4.289  -2.726
  184    HA   ARG  27           HA       ARG  27 -10.867   1.401  -2.586
  185   1HB   ARG  27          HB2       ARG  27 -13.108   1.913  -3.658
  186   2HB   ARG  27          HB1       ARG  27 -12.220   2.666  -4.973
  187   1HG   ARG  27          HG2       ARG  27 -12.950   0.316  -5.390
  188   2HG   ARG  27          HG1       ARG  27 -11.222   0.608  -5.599
  189   1HD   ARG  27          HD2       ARG  27 -11.578  -1.470  -4.413
  190   2HD   ARG  27          HD1       ARG  27 -10.804  -0.297  -3.356
  191    HE   ARG  27           HE       ARG  27 -13.597  -0.200  -2.996
  192   1HH1  ARG  27          1HH1      ARG  27 -10.852  -2.265  -2.311
  193   2HH1  ARG  27          2HH1      ARG  27 -11.602  -2.995  -0.920
  194   1HH2  ARG  27          1HH2      ARG  27 -14.562  -1.151  -1.142
  195   2HH2  ARG  27          2HH2      ARG  27 -13.681  -2.364  -0.261
  196    H    LYS  28           HN       LYS  28  -9.015   3.372  -2.313
  197    HA   LYS  28           HA       LYS  28  -7.282   2.777  -4.601
  198   1HB   LYS  28          HB2       LYS  28  -7.615   5.413  -3.199
  199   2HB   LYS  28          HB1       LYS  28  -6.123   5.000  -4.020
  200   1HG   LYS  28          HG2       LYS  28  -7.221   6.221  -5.615
  201   2HG   LYS  28          HG1       LYS  28  -7.675   4.578  -6.060
  202   1HD   LYS  28          HD2       LYS  28  -9.821   4.819  -5.043
  203   2HD   LYS  28          HD1       LYS  28  -9.359   6.355  -4.307
  204   1HE   LYS  28          HE2       LYS  28  -9.649   5.815  -7.262
  205   2HE   LYS  28          HE1       LYS  28 -10.778   6.719  -6.255
  206   1HZ   LYS  28          HZ1       LYS  28  -7.970   7.485  -6.892
  207   2HZ   LYS  28          HZ2       LYS  28  -8.967   8.313  -5.801
  208   3HZ   LYS  28          HZ3       LYS  28  -9.383   8.252  -7.443
  209    H    CYS  29           HN       CYS  29  -4.943   3.287  -3.771
  210    HA   CYS  29           HA       CYS  29  -4.676   2.776  -0.934
  211   1HB   CYS  29          HB2       CYS  29  -4.722   0.613  -2.363
  212   2HB   CYS  29          HB1       CYS  29  -3.092   1.085  -2.808
  213    H    LYS  30           HN       LYS  30  -2.880   3.544  -0.048
  214    HA   LYS  30           HA       LYS  30  -0.827   4.677  -1.836
  215   1HB   LYS  30          HB2       LYS  30  -2.333   6.379  -0.707
  216   2HB   LYS  30          HB1       LYS  30  -1.625   5.848   0.797
  217   1HG   LYS  30          HG2       LYS  30   0.605   6.467  -0.066
  218   2HG   LYS  30          HG1       LYS  30  -0.186   7.138  -1.493
  219   1HD   LYS  30          HD2       LYS  30   0.267   8.907   0.083
  220   2HD   LYS  30          HD1       LYS  30  -1.470   8.651  -0.021
  221   1HE   LYS  30          HE2       LYS  30  -0.952   8.901   2.276
  222   2HE   LYS  30          HE1       LYS  30  -1.276   7.189   2.004
  223   1HZ   LYS  30          HZ1       LYS  30   1.116   6.803   1.923
  224   2HZ   LYS  30          HZ2       LYS  30   0.651   7.484   3.402
  225   3HZ   LYS  30          HZ3       LYS  30   1.402   8.447   2.225
  226    H    CYS  31           HN       CYS  31   1.321   4.569  -1.018
  227    HA   CYS  31           HA       CYS  31   1.719   2.435   0.855
  228   1HB   CYS  31          HB2       CYS  31   3.664   4.095  -0.729
  229   2HB   CYS  31          HB1       CYS  31   4.046   2.665   0.168
  230    H    ASN  32           HN       ASN  32   3.632   2.785   2.353
  231    HA   ASN  32           HA       ASN  32   3.280   5.344   3.761
  232   1HB   ASN  32          HB2       ASN  32   2.714   3.254   5.024
  233   2HB   ASN  32          HB1       ASN  32   4.383   2.746   4.858
  234   1HD2  ASN  32          1HD2      ASN  32   5.913   3.618   6.141
  235   2HD2  ASN  32          2HD2      ASN  32   5.582   4.690   7.456
  236    H    ARG  33           HN       ARG  33   4.752   6.057   1.951
  237    HA   ARG  33           HA       ARG  33   7.559   5.539   2.576
  238   1HB   ARG  33          HB2       ARG  33   6.723   5.678   0.185
  239   2HB   ARG  33          HB1       ARG  33   6.479   7.399   0.455
  240   1HG   ARG  33          HG2       ARG  33   8.883   7.614   0.995
  241   2HG   ARG  33          HG1       ARG  33   9.090   5.910   0.585
  242   1HD   ARG  33          HD2       ARG  33   9.718   7.112  -1.334
  243   2HD   ARG  33          HD1       ARG  33   8.108   6.475  -1.669
  244    HE   ARG  33           HE       ARG  33   8.429   9.226  -0.691
  245   1HH1  ARG  33          1HH1      ARG  33   7.397   7.001  -3.202
  246   2HH1  ARG  33          2HH1      ARG  33   6.588   8.233  -4.125
  247   1HH2  ARG  33          1HH2      ARG  33   7.400  10.827  -1.895
  248   2HH2  ARG  33          2HH2      ARG  33   6.613  10.419  -3.395
  249    H    CYS  34           HN       CYS  34   7.776   6.532   4.572
  250    HA   CYS  34           HA       CYS  34   6.972   9.239   5.029
  251   1HB   CYS  34          HB2       CYS  34   8.878   7.491   6.606
  252   2HB   CYS  34          HB1       CYS  34   8.174   9.009   7.159
  253    HG   CYS  34           HG       CYS  34   6.052   6.543   6.236
  Start of MODEL   14
    1   1H    ALA   1           HT1      ALA   1  -0.012   0.994  -7.342
    2   2H    ALA   1           HT2      ALA   1  -1.235   1.830  -6.526
    3   3H    ALA   1           HT3      ALA   1  -1.556   1.104  -8.021
    4    HA   ALA   1           HA       ALA   1  -1.198  -1.068  -7.093
    5   1HB   ALA   1          HB1       ALA   1  -0.836   0.385  -4.480
    6   2HB   ALA   1          HB2       ALA   1   0.445  -0.382  -5.404
    7   3HB   ALA   1          HB3       ALA   1  -0.846  -1.358  -4.708
    8    H    SER   2           HN       SER   2  -3.021  -2.201  -6.498
    9    HA   SER   2           HA       SER   2  -5.323  -0.586  -5.658
   10   1HB   SER   2          HB2       SER   2  -5.523  -1.688  -7.894
   11   2HB   SER   2          HB1       SER   2  -5.332  -3.252  -7.101
   12    HG   SER   2           HG       SER   2  -7.263  -2.982  -6.072
   13    H    CYS   3           HN       CYS   3  -6.165  -1.013  -3.720
   14    HA   CYS   3           HA       CYS   3  -5.326  -3.469  -2.355
   15   1HB   CYS   3          HB2       CYS   3  -5.402  -2.049  -0.268
   16   2HB   CYS   3          HB1       CYS   3  -4.085  -1.693  -1.380
   17    H    ARG   4           HN       ARG   4  -6.687  -4.052  -0.532
   18    HA   ARG   4           HA       ARG   4  -9.463  -3.097  -0.716
   19   1HB   ARG   4          HB2       ARG   4  -8.874  -5.585  -1.177
   20   2HB   ARG   4          HB1       ARG   4  -8.629  -5.684   0.552
   21   1HG   ARG   4          HG2       ARG   4 -10.975  -4.785   0.811
   22   2HG   ARG   4          HG1       ARG   4 -11.170  -5.070  -0.912
   23   1HD   ARG   4          HD2       ARG   4 -10.566  -7.103   1.219
   24   2HD   ARG   4          HD1       ARG   4 -12.039  -6.965   0.261
   25    HE   ARG   4           HE       ARG   4  -9.555  -7.441  -1.182
   26   1HH1  ARG   4          1HH1      ARG   4 -12.556  -8.730   0.088
   27   2HH1  ARG   4          2HH1      ARG   4 -12.444 -10.214  -0.805
   28   1HH2  ARG   4          1HH2      ARG   4  -9.401  -9.367  -2.343
   29   2HH2  ARG   4          2HH2      ARG   4 -10.628 -10.587  -2.187
   30    H    THR   5           HN       THR   5  -6.721  -3.798   1.224
   31    HA   THR   5           HA       THR   5  -7.836  -2.254   3.430
   32    HB   THR   5           HB       THR   5  -6.527  -3.816   4.988
   33    HG1  THR   5           HG1      THR   5  -6.919  -5.820   3.051
   34   1HG2  THR   5          1HG2      THR   5  -8.952  -4.930   3.576
   35   2HG2  THR   5          2HG2      THR   5  -8.984  -3.760   4.894
   36   3HG2  THR   5          3HG2      THR   5  -8.380  -5.395   5.179
   37    HA   PRO   6           HA       PRO   6  -3.995  -0.016   3.700
   38   1HB   PRO   6          HB2       PRO   6  -3.583  -1.207   6.407
   39   2HB   PRO   6          HB1       PRO   6  -3.516   0.466   5.897
   40   1HG   PRO   6          HG2       PRO   6  -5.609  -0.413   7.217
   41   2HG   PRO   6          HG1       PRO   6  -5.808   0.705   5.859
   42   1HD   PRO   6          HD2       PRO   6  -6.272  -2.219   5.973
   43   2HD   PRO   6          HD1       PRO   6  -7.172  -0.961   5.110
   44    H    LYS   7           HN       LYS   7  -3.571  -3.131   5.409
   45    HA   LYS   7           HA       LYS   7  -0.874  -3.343   4.543
   46   1HB   LYS   7          HB2       LYS   7  -2.656  -5.366   5.891
   47   2HB   LYS   7          HB1       LYS   7  -0.944  -5.601   5.584
   48   1HG   LYS   7          HG2       LYS   7  -0.519  -3.537   6.955
   49   2HG   LYS   7          HG1       LYS   7  -2.222  -3.575   7.400
   50   1HD   LYS   7          HD2       LYS   7  -0.213  -5.770   7.912
   51   2HD   LYS   7          HD1       LYS   7  -0.806  -4.619   9.109
   52   1HE   LYS   7          HE2       LYS   7  -2.171  -6.399   9.559
   53   2HE   LYS   7          HE1       LYS   7  -3.151  -5.559   8.357
   54   1HZ   LYS   7          HZ1       LYS   7  -2.326  -7.074   6.667
   55   2HZ   LYS   7          HZ2       LYS   7  -3.029  -7.943   7.941
   56   3HZ   LYS   7          HZ3       LYS   7  -1.337  -7.855   7.807
   57    H    ASP   8           HN       ASP   8  -3.693  -3.808   2.892
   58    HA   ASP   8           HA       ASP   8  -2.866  -6.103   1.364
   59   1HB   ASP   8          HB2       ASP   8  -5.259  -5.472   1.613
   60   2HB   ASP   8          HB1       ASP   8  -4.952  -4.031   0.646
   61    H    CYS   9           HN       CYS   9  -2.059  -2.776   1.372
   62    HA   CYS   9           HA       CYS   9  -1.016  -2.815  -1.323
   63   1HB   CYS   9          HB2       CYS   9  -0.514  -0.805   0.864
   64   2HB   CYS   9          HB1       CYS   9  -0.103  -0.626  -0.813
   65    H    ALA  10           HN       ALA  10  -0.059  -4.223   1.494
   66    HA   ALA  10           HA       ALA  10   2.577  -3.286   1.741
   67   1HB   ALA  10          HB1       ALA  10   1.453  -5.919   2.690
   68   2HB   ALA  10          HB2       ALA  10   1.396  -4.399   3.581
   69   3HB   ALA  10          HB3       ALA  10   2.949  -5.166   3.244
   70    H    ASP  11           HN       ASP  11   1.200  -5.801  -0.229
   71    HA   ASP  11           HA       ASP  11   3.803  -6.813  -0.967
   72   1HB   ASP  11          HB2       ASP  11   1.774  -8.276  -0.965
   73   2HB   ASP  11          HB1       ASP  11   1.153  -7.352  -2.323
   74    HA   PRO  12           HA       PRO  12   2.685  -4.362  -5.072
   75   1HB   PRO  12          HB2       PRO  12   0.901  -2.299  -4.528
   76   2HB   PRO  12          HB1       PRO  12   0.522  -3.786  -5.400
   77   1HG   PRO  12          HG2       PRO  12   0.055  -3.090  -2.542
   78   2HG   PRO  12          HG1       PRO  12  -0.954  -4.025  -3.653
   79   1HD   PRO  12          HD2       PRO  12   0.517  -5.237  -1.781
   80   2HD   PRO  12          HD1       PRO  12   0.310  -5.948  -3.395
   81    H    CYS  13           HN       CYS  13   2.503  -2.586  -1.934
   82    HA   CYS  13           HA       CYS  13   4.027  -0.386  -2.979
   83   1HB   CYS  13          HB2       CYS  13   2.559  -0.353  -0.886
   84   2HB   CYS  13          HB1       CYS  13   3.886  -1.163  -0.070
   85    H    ARG  14           HN       ARG  14   4.777  -3.388  -1.379
   86    HA   ARG  14           HA       ARG  14   7.542  -2.966  -1.111
   87   1HB   ARG  14          HB2       ARG  14   6.147  -4.734  -0.025
   88   2HB   ARG  14          HB1       ARG  14   6.070  -5.562  -1.563
   89   1HG   ARG  14          HG2       ARG  14   8.459  -5.925  -1.519
   90   2HG   ARG  14          HG1       ARG  14   8.582  -5.017  -0.010
   91   1HD   ARG  14          HD2       ARG  14   7.083  -6.630   1.061
   92   2HD   ARG  14          HD1       ARG  14   7.002  -7.543  -0.432
   93    HE   ARG  14           HE       ARG  14   9.612  -7.123   0.822
   94   1HH1  ARG  14          1HH1      ARG  14   6.973  -9.255  -0.054
   95   2HH1  ARG  14          2HH1      ARG  14   7.859 -10.714   0.257
   96   1HH2  ARG  14          1HH2      ARG  14  10.799  -9.058   1.251
   97   2HH2  ARG  14          2HH2      ARG  14  10.034 -10.602   0.984
   98    H    LYS  15           HN       LYS  15   5.602  -3.405  -3.878
   99    HA   LYS  15           HA       LYS  15   7.881  -4.214  -5.533
  100   1HB   LYS  15          HB2       LYS  15   4.994  -3.699  -6.266
  101   2HB   LYS  15          HB1       LYS  15   6.227  -4.271  -7.374
  102   1HG   LYS  15          HG2       LYS  15   5.394  -5.789  -4.920
  103   2HG   LYS  15          HG1       LYS  15   4.637  -6.004  -6.496
  104   1HD   LYS  15          HD2       LYS  15   6.205  -7.549  -6.869
  105   2HD   LYS  15          HD1       LYS  15   7.323  -6.199  -7.060
  106   1HE   LYS  15          HE2       LYS  15   8.252  -7.794  -5.517
  107   2HE   LYS  15          HE1       LYS  15   7.827  -6.322  -4.647
  108   1HZ   LYS  15          HZ1       LYS  15   6.070  -8.715  -4.758
  109   2HZ   LYS  15          HZ2       LYS  15   5.909  -7.363  -3.753
  110   3HZ   LYS  15          HZ3       LYS  15   7.195  -8.439  -3.520
  111    H    GLU  16           HN       GLU  16   5.714  -1.617  -4.833
  112    HA   GLU  16           HA       GLU  16   6.492   0.092  -6.981
  113   1HB   GLU  16          HB2       GLU  16   4.248   0.179  -6.141
  114   2HB   GLU  16          HB1       GLU  16   4.820   0.477  -4.508
  115   1HG   GLU  16          HG2       GLU  16   5.660   2.666  -5.227
  116   2HG   GLU  16          HG1       GLU  16   5.059   2.352  -6.855
  117    H    THR  17           HN       THR  17   7.055   0.075  -3.478
  118    HA   THR  17           HA       THR  17   9.177   2.073  -3.900
  119    HB   THR  17           HB       THR  17   7.632   1.688  -1.329
  120    HG1  THR  17           HG1      THR  17   6.046   2.647  -2.361
  121   1HG2  THR  17          1HG2      THR  17   8.491   3.920  -0.801
  122   2HG2  THR  17          2HG2      THR  17   9.339   3.966  -2.349
  123   3HG2  THR  17          3HG2      THR  17   9.811   2.792  -1.116
  124    H    GLY  18           HN       GLY  18   8.207  -0.938  -2.538
  125   1HA   GLY  18          HA2       GLY  18   9.835  -2.668  -2.227
  126   2HA   GLY  18          HA1       GLY  18  10.989  -1.443  -1.717
  127    H    CYS  19           HN       CYS  19   8.379  -0.390  -0.263
  128    HA   CYS  19           HA       CYS  19   9.004  -1.795   2.210
  129   1HB   CYS  19          HB2       CYS  19   7.517   0.790   1.769
  130   2HB   CYS  19          HB1       CYS  19   8.015   0.124   3.313
  131    HG   CYS  19           HG       CYS  19  10.484   0.942   3.311
  132    HA   PRO  20           HA       PRO  20   4.941  -3.668   1.879
  133   1HB   PRO  20          HB2       PRO  20   5.125  -5.231   4.065
  134   2HB   PRO  20          HB1       PRO  20   6.006  -5.601   2.579
  135   1HG   PRO  20          HG2       PRO  20   6.986  -4.317   5.096
  136   2HG   PRO  20          HG1       PRO  20   7.777  -5.529   4.076
  137   1HD   PRO  20          HD2       PRO  20   8.343  -2.847   3.995
  138   2HD   PRO  20          HD1       PRO  20   8.595  -3.953   2.631
  139    H    TYR  21           HN       TYR  21   4.751  -1.104   2.682
  140    HA   TYR  21           HA       TYR  21   3.282  -1.173   5.233
  141   1HB   TYR  21          HB2       TYR  21   4.967   1.016   4.022
  142   2HB   TYR  21          HB1       TYR  21   3.908   1.235   5.403
  143    HD1  TYR  21           HD1      TYR  21   4.591   0.595   7.593
  144    HD2  TYR  21           HD2      TYR  21   6.951  -0.483   4.222
  145    HE1  TYR  21           HE1      TYR  21   6.414  -0.083   9.093
  146    HE2  TYR  21           HE2      TYR  21   8.775  -1.167   5.712
  147    HH   TYR  21           HH       TYR  21   8.391  -1.626   9.017
  148    H    GLY  22           HN       GLY  22   2.003   1.122   5.208
  149   1HA   GLY  22          HA2       GLY  22   1.048   2.757   3.687
  150   2HA   GLY  22          HA1       GLY  22   0.791   1.442   2.565
  151    H    LYS  23           HN       LYS  23  -1.187   3.123   3.104
  152    HA   LYS  23           HA       LYS  23  -3.086   1.490   4.658
  153   1HB   LYS  23          HB2       LYS  23  -2.531   3.800   5.607
  154   2HB   LYS  23          HB1       LYS  23  -3.303   4.461   4.173
  155   1HG   LYS  23          HG2       LYS  23  -5.396   3.372   4.785
  156   2HG   LYS  23          HG1       LYS  23  -4.626   2.694   6.218
  157   1HD   LYS  23          HD2       LYS  23  -4.947   5.641   5.634
  158   2HD   LYS  23          HD1       LYS  23  -5.971   4.698   6.718
  159   1HE   LYS  23          HE2       LYS  23  -4.494   5.636   8.212
  160   2HE   LYS  23          HE1       LYS  23  -3.699   4.103   7.862
  161   1HZ   LYS  23          HZ1       LYS  23  -2.227   6.100   7.834
  162   2HZ   LYS  23          HZ2       LYS  23  -3.045   6.625   6.445
  163   3HZ   LYS  23          HZ3       LYS  23  -2.177   5.169   6.421
  164    H    CYS  24           HN       CYS  24  -5.373   1.857   3.767
  165    HA   CYS  24           HA       CYS  24  -5.219   2.139   0.843
  166   1HB   CYS  24          HB2       CYS  24  -5.679  -0.183   1.749
  167   2HB   CYS  24          HB1       CYS  24  -7.204   0.438   2.362
  168    H    MET  25           HN       MET  25  -6.715   3.465  -0.151
  169    HA   MET  25           HA       MET  25  -8.311   5.133   1.648
  170   1HB   MET  25          HB2       MET  25  -6.666   6.052  -0.073
  171   2HB   MET  25          HB1       MET  25  -7.830   5.539  -1.271
  172   1HG   MET  25          HG2       MET  25  -9.471   7.055  -0.458
  173   2HG   MET  25          HG1       MET  25  -8.479   7.452   0.939
  174   1HE   MET  25          HE1       MET  25  -8.853  10.020   0.399
  175   2HE   MET  25          HE2       MET  25  -9.802   9.608  -1.029
  176   3HE   MET  25          HE3       MET  25  -8.470  10.762  -1.153
  177    H    ASN  26           HN       ASN  26 -10.439   5.900   0.518
  178    HA   ASN  26           HA       ASN  26 -12.345   4.023   0.646
  179   1HB   ASN  26          HB2       ASN  26 -12.283   6.435  -1.121
  180   2HB   ASN  26          HB1       ASN  26 -13.719   5.435  -0.964
  181   1HD2  ASN  26          1HD2      ASN  26 -13.225   8.236  -0.228
  182   2HD2  ASN  26          2HD2      ASN  26 -13.619   8.343   1.447
  183    H    ARG  27           HN       ARG  27 -10.851   4.898  -2.465
  184    HA   ARG  27           HA       ARG  27 -10.917   2.069  -3.088
  185   1HB   ARG  27          HB2       ARG  27 -13.019   3.125  -4.063
  186   2HB   ARG  27          HB1       ARG  27 -11.953   4.004  -5.152
  187   1HG   ARG  27          HG2       ARG  27 -12.681   2.129  -6.354
  188   2HG   ARG  27          HG1       ARG  27 -11.033   1.759  -5.861
  189   1HD   ARG  27          HD2       ARG  27 -13.602   0.708  -4.688
  190   2HD   ARG  27          HD1       ARG  27 -12.354  -0.194  -5.534
  191    HE   ARG  27           HE       ARG  27 -12.341   0.650  -2.756
  192   1HH1  ARG  27          1HH1      ARG  27 -10.443  -0.639  -5.416
  193   2HH1  ARG  27          2HH1      ARG  27  -9.258  -1.346  -4.370
  194   1HH2  ARG  27          1HH2      ARG  27 -10.786  -0.280  -1.398
  195   2HH2  ARG  27          2HH2      ARG  27  -9.437  -1.138  -2.096
  196    H    LYS  28           HN       LYS  28  -8.855   3.633  -2.297
  197    HA   LYS  28           HA       LYS  28  -7.078   3.406  -4.590
  198   1HB   LYS  28          HB2       LYS  28  -7.576   5.927  -3.059
  199   2HB   LYS  28          HB1       LYS  28  -5.969   5.594  -3.681
  200   1HG   LYS  28          HG2       LYS  28  -7.021   5.335  -5.950
  201   2HG   LYS  28          HG1       LYS  28  -8.512   5.960  -5.238
  202   1HD   LYS  28          HD2       LYS  28  -5.875   7.421  -5.131
  203   2HD   LYS  28          HD1       LYS  28  -7.073   7.668  -6.400
  204   1HE   LYS  28          HE2       LYS  28  -7.704   7.978  -3.474
  205   2HE   LYS  28          HE1       LYS  28  -7.121   9.311  -4.469
  206   1HZ   LYS  28          HZ1       LYS  28  -9.589   7.731  -4.987
  207   2HZ   LYS  28          HZ2       LYS  28  -9.028   9.038  -5.912
  208   3HZ   LYS  28          HZ3       LYS  28  -9.541   9.290  -4.315
  209    H    CYS  29           HN       CYS  29  -4.782   3.935  -3.621
  210    HA   CYS  29           HA       CYS  29  -4.607   2.761  -0.951
  211   1HB   CYS  29          HB2       CYS  29  -3.809   1.114  -2.498
  212   2HB   CYS  29          HB1       CYS  29  -2.795   2.287  -3.321
  213    H    LYS  30           HN       LYS  30  -3.090   3.586   0.401
  214    HA   LYS  30           HA       LYS  30  -1.567   5.913  -0.507
  215   1HB   LYS  30          HB2       LYS  30  -3.785   6.416   0.734
  216   2HB   LYS  30          HB1       LYS  30  -2.885   5.912   2.152
  217   1HG   LYS  30          HG2       LYS  30  -1.951   8.083   0.305
  218   2HG   LYS  30          HG1       LYS  30  -2.947   8.386   1.726
  219   1HD   LYS  30          HD2       LYS  30  -1.240   7.948   3.180
  220   2HD   LYS  30          HD1       LYS  30  -0.483   6.772   2.102
  221   1HE   LYS  30          HE2       LYS  30  -0.433   9.774   1.807
  222   2HE   LYS  30          HE1       LYS  30   0.902   8.747   2.316
  223   1HZ   LYS  30          HZ1       LYS  30   0.663   7.609   0.106
  224   2HZ   LYS  30          HZ2       LYS  30   1.228   9.205   0.049
  225   3HZ   LYS  30          HZ3       LYS  30  -0.380   8.863  -0.347
  226    H    CYS  31           HN       CYS  31   0.115   4.434  -0.513
  227    HA   CYS  31           HA       CYS  31   0.986   3.365   2.041
  228   1HB   CYS  31          HB2       CYS  31   1.155   1.864   0.144
  229   2HB   CYS  31          HB1       CYS  31   2.192   2.994  -0.703
  230    H    ASN  32           HN       ASN  32   3.458   3.439   2.225
  231    HA   ASN  32           HA       ASN  32   4.187   6.210   2.586
  232   1HB   ASN  32          HB2       ASN  32   4.823   4.346   4.179
  233   2HB   ASN  32          HB1       ASN  32   5.948   3.770   2.953
  234   1HD2  ASN  32          1HD2      ASN  32   7.794   4.125   4.118
  235   2HD2  ASN  32          2HD2      ASN  32   8.368   5.701   4.529
  236    H    ARG  33           HN       ARG  33   3.791   6.353   0.157
  237    HA   ARG  33           HA       ARG  33   5.930   5.449  -1.542
  238   1HB   ARG  33          HB2       ARG  33   3.635   5.535  -2.377
  239   2HB   ARG  33          HB1       ARG  33   3.569   7.261  -2.079
  240   1HG   ARG  33          HG2       ARG  33   3.880   6.658  -4.459
  241   2HG   ARG  33          HG1       ARG  33   5.151   7.698  -3.818
  242   1HD   ARG  33          HD2       ARG  33   5.687   4.816  -3.597
  243   2HD   ARG  33          HD1       ARG  33   5.561   5.418  -5.249
  244    HE   ARG  33           HE       ARG  33   7.236   7.069  -3.628
  245   1HH1  ARG  33          1HH1      ARG  33   7.178   4.057  -5.396
  246   2HH1  ARG  33          2HH1      ARG  33   8.863   4.106  -5.791
  247   1HH2  ARG  33          1HH2      ARG  33   9.457   7.140  -4.125
  248   2HH2  ARG  33          2HH2      ARG  33  10.165   5.866  -5.089
  249    H    CYS  34           HN       CYS  34   7.673   6.490  -0.430
  250    HA   CYS  34           HA       CYS  34   7.859   9.377  -0.807
  251   1HB   CYS  34          HB2       CYS  34  10.127   9.004   0.334
  252   2HB   CYS  34          HB1       CYS  34   8.683   8.730   1.304
  253    HG   CYS  34           HG       CYS  34  11.013   6.523   0.250
  Start of MODEL   15
    1   1H    ALA   1           HT1      ALA   1  -2.339   1.605  -5.302
    2   2H    ALA   1           HT2      ALA   1  -3.144   2.312  -6.616
    3   3H    ALA   1           HT3      ALA   1  -1.655   1.538  -6.848
    4    HA   ALA   1           HA       ALA   1  -3.417   0.141  -7.635
    5   1HB   ALA   1          HB1       ALA   1  -1.444  -0.903  -6.639
    6   2HB   ALA   1          HB2       ALA   1  -2.896  -1.862  -6.350
    7   3HB   ALA   1          HB3       ALA   1  -2.221  -0.866  -5.059
    8    H    SER   2           HN       SER   2  -5.486  -0.529  -7.484
    9    HA   SER   2           HA       SER   2  -7.178   0.519  -5.461
   10   1HB   SER   2          HB2       SER   2  -8.925  -0.899  -6.642
   11   2HB   SER   2          HB1       SER   2  -8.112   0.296  -7.639
   12    HG   SER   2           HG       SER   2  -6.927  -1.272  -8.607
   13    H    CYS   3           HN       CYS   3  -7.375  -0.262  -3.504
   14    HA   CYS   3           HA       CYS   3  -7.079  -3.144  -3.080
   15   1HB   CYS   3          HB2       CYS   3  -5.251  -2.829  -1.848
   16   2HB   CYS   3          HB1       CYS   3  -5.274  -1.158  -2.320
   17    H    ARG   4           HN       ARG   4  -7.665  -3.651  -0.727
   18    HA   ARG   4           HA       ARG   4 -10.140  -2.235  -0.008
   19   1HB   ARG   4          HB2       ARG   4 -10.214  -4.687  -0.832
   20   2HB   ARG   4          HB1       ARG   4  -9.542  -5.079   0.731
   21   1HG   ARG   4          HG2       ARG   4 -11.481  -3.920   1.780
   22   2HG   ARG   4          HG1       ARG   4 -12.183  -3.756   0.169
   23   1HD   ARG   4          HD2       ARG   4 -13.143  -5.686   1.202
   24   2HD   ARG   4          HD1       ARG   4 -12.044  -6.235  -0.059
   25    HE   ARG   4           HE       ARG   4 -11.219  -6.156   2.771
   26   1HH1  ARG   4          1HH1      ARG   4 -11.656  -7.896  -0.240
   27   2HH1  ARG   4          2HH1      ARG   4 -10.839  -9.330   0.317
   28   1HH2  ARG   4          1HH2      ARG   4 -10.156  -8.036   3.512
   29   2HH2  ARG   4          2HH2      ARG   4  -9.982  -9.401   2.453
   30    H    THR   5           HN       THR   5  -7.132  -3.536   0.963
   31    HA   THR   5           HA       THR   5  -7.255  -2.248   3.551
   32    HB   THR   5           HB       THR   5  -6.254  -4.519   4.484
   33    HG1  THR   5           HG1      THR   5  -7.260  -5.214   2.070
   34   1HG2  THR   5          1HG2      THR   5  -8.184  -3.397   5.439
   35   2HG2  THR   5          2HG2      THR   5  -8.496  -5.128   5.311
   36   3HG2  THR   5          3HG2      THR   5  -9.211  -4.016   4.145
   37    HA   PRO   6           HA       PRO   6  -2.953  -1.544   2.801
   38   1HB   PRO   6          HB2       PRO   6  -1.886  -1.889   5.289
   39   2HB   PRO   6          HB1       PRO   6  -2.782  -0.453   4.816
   40   1HG   PRO   6          HG2       PRO   6  -3.690  -2.854   6.341
   41   2HG   PRO   6          HG1       PRO   6  -4.023  -1.136   6.647
   42   1HD   PRO   6          HD2       PRO   6  -5.808  -2.733   5.444
   43   2HD   PRO   6          HD1       PRO   6  -5.619  -1.030   4.990
   44    H    LYS   7           HN       LYS   7  -3.909  -4.423   4.516
   45    HA   LYS   7           HA       LYS   7  -1.613  -5.965   4.198
   46   1HB   LYS   7          HB2       LYS   7  -3.649  -6.477   5.597
   47   2HB   LYS   7          HB1       LYS   7  -4.466  -6.943   4.112
   48   1HG   LYS   7          HG2       LYS   7  -2.961  -8.759   3.773
   49   2HG   LYS   7          HG1       LYS   7  -1.936  -8.226   5.108
   50   1HD   LYS   7          HD2       LYS   7  -3.872  -8.559   6.639
   51   2HD   LYS   7          HD1       LYS   7  -4.768  -9.246   5.282
   52   1HE   LYS   7          HE2       LYS   7  -2.131 -10.311   6.268
   53   2HE   LYS   7          HE1       LYS   7  -3.694 -10.916   6.808
   54   1HZ   LYS   7          HZ1       LYS   7  -2.816 -12.291   5.046
   55   2HZ   LYS   7          HZ2       LYS   7  -2.678 -10.956   4.014
   56   3HZ   LYS   7          HZ3       LYS   7  -4.213 -11.494   4.507
   57    H    ASP   8           HN       ASP   8  -4.127  -5.000   1.971
   58    HA   ASP   8           HA       ASP   8  -3.596  -6.961  -0.037
   59   1HB   ASP   8          HB2       ASP   8  -4.853  -4.229  -0.159
   60   2HB   ASP   8          HB1       ASP   8  -4.585  -5.187  -1.609
   61    H    CYS   9           HN       CYS   9  -2.531  -3.615   0.307
   62    HA   CYS   9           HA       CYS   9  -0.917  -3.847  -2.076
   63   1HB   CYS   9          HB2       CYS   9  -0.396  -1.379  -1.395
   64   2HB   CYS   9          HB1       CYS   9  -1.956  -1.799  -2.076
   65    H    ALA  10           HN       ALA  10  -0.265  -4.837   0.924
   66    HA   ALA  10           HA       ALA  10   2.157  -3.493   1.474
   67   1HB   ALA  10          HB1       ALA  10   0.913  -4.756   3.184
   68   2HB   ALA  10          HB2       ALA  10   2.597  -5.266   3.080
   69   3HB   ALA  10          HB3       ALA  10   1.330  -6.260   2.361
   70    H    ASP  11           HN       ASP  11   1.363  -6.105  -0.640
   71    HA   ASP  11           HA       ASP  11   4.150  -6.787  -1.056
   72   1HB   ASP  11          HB2       ASP  11   2.347  -8.518  -1.169
   73   2HB   ASP  11          HB1       ASP  11   1.758  -7.747  -2.629
   74    HA   PRO  12           HA       PRO  12   3.037  -4.518  -5.279
   75   1HB   PRO  12          HB2       PRO  12   0.918  -2.728  -4.238
   76   2HB   PRO  12          HB1       PRO  12   1.050  -3.519  -5.809
   77   1HG   PRO  12          HG2       PRO  12  -0.673  -4.366  -3.961
   78   2HG   PRO  12          HG1       PRO  12   0.156  -5.496  -5.044
   79   1HD   PRO  12          HD2       PRO  12   0.669  -4.890  -2.168
   80   2HD   PRO  12          HD1       PRO  12   0.807  -6.408  -3.045
   81    H    CYS  13           HN       CYS  13   2.421  -2.792  -2.201
   82    HA   CYS  13           HA       CYS  13   3.870  -0.492  -3.067
   83   1HB   CYS  13          HB2       CYS  13   2.933  -1.452  -0.373
   84   2HB   CYS  13          HB1       CYS  13   3.764   0.069  -0.621
   85    H    ARG  14           HN       ARG  14   4.756  -3.441  -1.427
   86    HA   ARG  14           HA       ARG  14   7.391  -2.635  -0.811
   87   1HB   ARG  14          HB2       ARG  14   6.278  -4.605   0.185
   88   2HB   ARG  14          HB1       ARG  14   6.332  -5.415  -1.363
   89   1HG   ARG  14          HG2       ARG  14   8.887  -4.476  -0.162
   90   2HG   ARG  14          HG1       ARG  14   8.101  -5.903   0.508
   91   1HD   ARG  14          HD2       ARG  14   8.937  -5.503  -2.356
   92   2HD   ARG  14          HD1       ARG  14   9.710  -6.558  -1.172
   93    HE   ARG  14           HE       ARG  14   7.106  -7.400  -1.261
   94   1HH1  ARG  14          1HH1      ARG  14   9.663  -7.001  -3.613
   95   2HH1  ARG  14          2HH1      ARG  14   9.108  -8.313  -4.616
   96   1HH2  ARG  14          1HH2      ARG  14   6.331  -9.080  -2.616
   97   2HH2  ARG  14          2HH2      ARG  14   7.212  -9.468  -4.066
   98    H    LYS  15           HN       LYS  15   5.844  -3.701  -3.732
   99    HA   LYS  15           HA       LYS  15   8.309  -3.915  -5.214
  100   1HB   LYS  15          HB2       LYS  15   6.240  -5.150  -5.833
  101   2HB   LYS  15          HB1       LYS  15   5.463  -3.615  -6.189
  102   1HG   LYS  15          HG2       LYS  15   6.143  -4.542  -8.250
  103   2HG   LYS  15          HG1       LYS  15   7.249  -3.214  -7.901
  104   1HD   LYS  15          HD2       LYS  15   8.413  -5.211  -8.754
  105   2HD   LYS  15          HD1       LYS  15   8.929  -4.783  -7.118
  106   1HE   LYS  15          HE2       LYS  15   7.511  -6.503  -6.183
  107   2HE   LYS  15          HE1       LYS  15   6.863  -6.877  -7.781
  108   1HZ   LYS  15          HZ1       LYS  15   8.595  -8.434  -7.008
  109   2HZ   LYS  15          HZ2       LYS  15   9.722  -7.166  -7.031
  110   3HZ   LYS  15          HZ3       LYS  15   8.986  -7.672  -8.472
  111    H    GLU  16           HN       GLU  16   5.773  -1.563  -4.683
  112    HA   GLU  16           HA       GLU  16   6.454   0.293  -6.676
  113   1HB   GLU  16          HB2       GLU  16   4.511  -0.115  -4.647
  114   2HB   GLU  16          HB1       GLU  16   5.136   1.495  -4.473
  115   1HG   GLU  16          HG2       GLU  16   3.146   1.446  -5.879
  116   2HG   GLU  16          HG1       GLU  16   4.557   2.019  -6.764
  117    H    THR  17           HN       THR  17   6.822   0.384  -3.159
  118    HA   THR  17           HA       THR  17   8.686   2.649  -3.467
  119    HB   THR  17           HB       THR  17   7.255   1.727  -0.964
  120    HG1  THR  17           HG1      THR  17   6.502   3.380  -3.069
  121   1HG2  THR  17          1HG2      THR  17   8.717   4.297  -1.583
  122   2HG2  THR  17          2HG2      THR  17   9.300   3.006  -0.532
  123   3HG2  THR  17          3HG2      THR  17   7.861   3.931  -0.086
  124    H    GLY  18           HN       GLY  18   8.291  -0.563  -2.333
  125   1HA   GLY  18          HA2       GLY  18  10.140  -2.038  -2.176
  126   2HA   GLY  18          HA1       GLY  18  11.155  -0.685  -1.683
  127    H    CYS  19           HN       CYS  19   8.460  -0.114  -0.098
  128    HA   CYS  19           HA       CYS  19   9.282  -1.611   2.270
  129   1HB   CYS  19          HB2       CYS  19   7.675   0.937   2.051
  130   2HB   CYS  19          HB1       CYS  19   8.256   0.197   3.531
  131    HG   CYS  19           HG       CYS  19  10.944   0.679   3.032
  132    HA   PRO  20           HA       PRO  20   5.373  -3.710   1.723
  133   1HB   PRO  20          HB2       PRO  20   5.468  -5.269   3.914
  134   2HB   PRO  20          HB1       PRO  20   6.512  -5.553   2.517
  135   1HG   PRO  20          HG2       PRO  20   7.139  -4.205   5.111
  136   2HG   PRO  20          HG1       PRO  20   8.116  -5.358   4.185
  137   1HD   PRO  20          HD2       PRO  20   8.507  -2.651   4.134
  138   2HD   PRO  20          HD1       PRO  20   8.932  -3.735   2.795
  139    H    TYR  21           HN       TYR  21   5.226  -1.075   2.827
  140    HA   TYR  21           HA       TYR  21   3.118  -1.445   4.815
  141   1HB   TYR  21          HB2       TYR  21   4.856   0.994   4.702
  142   2HB   TYR  21          HB1       TYR  21   3.813   0.449   5.990
  143    HD1  TYR  21           HD1      TYR  21   4.469  -1.768   7.144
  144    HD2  TYR  21           HD2      TYR  21   7.157   0.582   4.841
  145    HE1  TYR  21           HE1      TYR  21   6.365  -2.846   8.267
  146    HE2  TYR  21           HE2      TYR  21   9.066  -0.490   5.961
  147    HH   TYR  21           HH       TYR  21   9.510  -1.679   8.124
  148    H    GLY  22           HN       GLY  22   1.635   0.445   4.850
  149   1HA   GLY  22          HA2       GLY  22   1.403   2.446   3.024
  150   2HA   GLY  22          HA1       GLY  22   0.776   1.032   2.190
  151    H    LYS  23           HN       LYS  23  -0.926   3.017   2.492
  152    HA   LYS  23           HA       LYS  23  -2.851   1.905   4.393
  153   1HB   LYS  23          HB2       LYS  23  -1.586   4.139   5.144
  154   2HB   LYS  23          HB1       LYS  23  -2.796   4.851   4.085
  155   1HG   LYS  23          HG2       LYS  23  -4.577   3.963   5.373
  156   2HG   LYS  23          HG1       LYS  23  -3.462   3.014   6.358
  157   1HD   LYS  23          HD2       LYS  23  -3.429   6.025   6.216
  158   2HD   LYS  23          HD1       LYS  23  -4.315   5.114   7.439
  159   1HE   LYS  23          HE2       LYS  23  -2.307   5.644   8.499
  160   2HE   LYS  23          HE1       LYS  23  -2.065   3.989   7.943
  161   1HZ   LYS  23          HZ1       LYS  23  -1.116   6.377   6.453
  162   2HZ   LYS  23          HZ2       LYS  23  -0.729   4.754   6.155
  163   3HZ   LYS  23          HZ3       LYS  23  -0.157   5.512   7.551
  164    H    CYS  24           HN       CYS  24  -4.988   2.129   3.632
  165    HA   CYS  24           HA       CYS  24  -4.983   2.563   0.731
  166   1HB   CYS  24          HB2       CYS  24  -5.601   0.308   1.966
  167   2HB   CYS  24          HB1       CYS  24  -7.174   1.079   2.119
  168    H    MET  25           HN       MET  25  -6.613   3.742  -0.285
  169    HA   MET  25           HA       MET  25  -8.270   5.402   1.491
  170   1HB   MET  25          HB2       MET  25  -6.779   5.930  -0.927
  171   2HB   MET  25          HB1       MET  25  -8.467   6.365  -1.114
  172   1HG   MET  25          HG2       MET  25  -7.158   8.259  -0.364
  173   2HG   MET  25          HG1       MET  25  -8.332   7.784   0.855
  174   1HE   MET  25          HE1       MET  25  -5.268   9.107   2.927
  175   2HE   MET  25          HE2       MET  25  -6.987   9.303   2.584
  176   3HE   MET  25          HE3       MET  25  -5.793   9.700   1.350
  177    H    ASN  26           HN       ASN  26 -10.225   6.157  -0.018
  178    HA   ASN  26           HA       ASN  26 -12.208   4.436   0.298
  179   1HB   ASN  26          HB2       ASN  26 -11.948   6.322  -2.013
  180   2HB   ASN  26          HB1       ASN  26 -13.450   5.533  -1.562
  181   1HD2  ASN  26          1HD2      ASN  26 -14.483   7.464  -1.149
  182   2HD2  ASN  26          2HD2      ASN  26 -14.124   8.423   0.245
  183    H    ARG  27           HN       ARG  27 -10.344   4.502  -2.710
  184    HA   ARG  27           HA       ARG  27 -11.085   1.685  -3.026
  185   1HB   ARG  27          HB2       ARG  27 -12.509   3.102  -4.507
  186   2HB   ARG  27          HB1       ARG  27 -11.051   3.675  -5.300
  187   1HG   ARG  27          HG2       ARG  27 -11.984   1.998  -6.682
  188   2HG   ARG  27          HG1       ARG  27 -10.560   1.300  -5.917
  189   1HD   ARG  27          HD2       ARG  27 -13.380   0.905  -4.931
  190   2HD   ARG  27          HD1       ARG  27 -12.541  -0.210  -5.997
  191    HE   ARG  27           HE       ARG  27 -10.837  -0.120  -3.970
  192   1HH1  ARG  27          1HH1      ARG  27 -14.323  -0.342  -3.932
  193   2HH1  ARG  27          2HH1      ARG  27 -14.390  -1.250  -2.451
  194   1HH2  ARG  27          1HH2      ARG  27 -10.910  -1.307  -1.998
  195   2HH2  ARG  27          2HH2      ARG  27 -12.453  -1.783  -1.352
  196    H    LYS  28           HN       LYS  28  -8.614   3.835  -2.629
  197    HA   LYS  28           HA       LYS  28  -6.793   2.258  -4.297
  198   1HB   LYS  28          HB2       LYS  28  -6.439   5.198  -4.163
  199   2HB   LYS  28          HB1       LYS  28  -5.793   4.064  -5.312
  200   1HG   LYS  28          HG2       LYS  28  -8.027   3.775  -6.283
  201   2HG   LYS  28          HG1       LYS  28  -8.641   4.999  -5.167
  202   1HD   LYS  28          HD2       LYS  28  -6.493   5.412  -7.243
  203   2HD   LYS  28          HD1       LYS  28  -8.165   5.957  -7.367
  204   1HE   LYS  28          HE2       LYS  28  -6.232   6.818  -5.218
  205   2HE   LYS  28          HE1       LYS  28  -6.571   7.740  -6.683
  206   1HZ   LYS  28          HZ1       LYS  28  -7.871   8.584  -4.872
  207   2HZ   LYS  28          HZ2       LYS  28  -8.514   7.047  -4.541
  208   3HZ   LYS  28          HZ3       LYS  28  -8.911   7.838  -5.991
  209    H    CYS  29           HN       CYS  29  -5.054   1.719  -3.273
  210    HA   CYS  29           HA       CYS  29  -4.553   2.692  -0.615
  211   1HB   CYS  29          HB2       CYS  29  -4.367   0.331  -0.960
  212   2HB   CYS  29          HB1       CYS  29  -3.235   0.549  -2.284
  213    H    LYS  30           HN       LYS  30  -2.766   3.725   0.055
  214    HA   LYS  30           HA       LYS  30  -0.790   4.533  -1.959
  215   1HB   LYS  30          HB2       LYS  30  -2.314   6.399  -1.120
  216   2HB   LYS  30          HB1       LYS  30  -1.472   6.207   0.398
  217   1HG   LYS  30          HG2       LYS  30   0.625   6.761  -0.611
  218   2HG   LYS  30          HG1       LYS  30  -0.128   6.847  -2.197
  219   1HD   LYS  30          HD2       LYS  30   0.255   9.070  -1.213
  220   2HD   LYS  30          HD1       LYS  30  -1.447   8.753  -1.506
  221   1HE   LYS  30          HE2       LYS  30  -0.479   7.986   1.153
  222   2HE   LYS  30          HE1       LYS  30  -0.425   9.714   0.814
  223   1HZ   LYS  30          HZ1       LYS  30  -2.541   8.830   1.827
  224   2HZ   LYS  30          HZ2       LYS  30  -2.860   8.101   0.328
  225   3HZ   LYS  30          HZ3       LYS  30  -2.719   9.784   0.440
  226    H    CYS  31           HN       CYS  31   1.204   4.157  -1.447
  227    HA   CYS  31           HA       CYS  31   1.687   2.373   0.716
  228   1HB   CYS  31          HB2       CYS  31   3.666   3.434  -1.277
  229   2HB   CYS  31          HB1       CYS  31   3.656   1.896  -0.456
  230    H    ASN  32           HN       ASN  32   3.697   2.583   2.021
  231    HA   ASN  32           HA       ASN  32   3.892   5.089   3.333
  232   1HB   ASN  32          HB2       ASN  32   4.441   2.811   4.324
  233   2HB   ASN  32          HB1       ASN  32   5.966   2.890   3.444
  234   1HD2  ASN  32          1HD2      ASN  32   7.293   3.002   5.210
  235   2HD2  ASN  32          2HD2      ASN  32   7.321   4.353   6.285
  236    H    ARG  33           HN       ARG  33   4.189   6.265   1.249
  237    HA   ARG  33           HA       ARG  33   7.056   6.730   0.801
  238   1HB   ARG  33          HB2       ARG  33   5.733   5.548  -1.102
  239   2HB   ARG  33          HB1       ARG  33   4.988   7.117  -1.348
  240   1HG   ARG  33          HG2       ARG  33   7.950   6.572  -1.501
  241   2HG   ARG  33          HG1       ARG  33   6.862   6.656  -2.881
  242   1HD   ARG  33          HD2       ARG  33   7.507   8.890  -0.961
  243   2HD   ARG  33          HD1       ARG  33   8.059   8.748  -2.628
  244    HE   ARG  33           HE       ARG  33   5.193   8.768  -2.335
  245   1HH1  ARG  33          1HH1      ARG  33   8.074  10.677  -2.846
  246   2HH1  ARG  33          2HH1      ARG  33   7.203  12.082  -3.386
  247   1HH2  ARG  33          1HH2      ARG  33   4.037  10.590  -3.067
  248   2HH2  ARG  33          2HH2      ARG  33   4.901  12.047  -3.487
  249    H    CYS  34           HN       CYS  34   7.477   8.675   1.648
  250    HA   CYS  34           HA       CYS  34   5.748  10.911   0.993
  251   1HB   CYS  34          HB2       CYS  34   4.913   9.813   3.169
  252   2HB   CYS  34          HB1       CYS  34   6.393  10.424   3.900
  253    HG   CYS  34           HG       CYS  34   5.773  12.999   3.912
  Start of MODEL   16
    1   1H    ALA   1           HT1      ALA   1  -1.191  -0.451  -8.715
    2   2H    ALA   1           HT2      ALA   1   0.364  -0.575  -8.064
    3   3H    ALA   1           HT3      ALA   1  -0.728   0.541  -7.424
    4    HA   ALA   1           HA       ALA   1  -0.996  -2.396  -7.338
    5   1HB   ALA   1          HB1       ALA   1  -0.407  -0.451  -5.110
    6   2HB   ALA   1          HB2       ALA   1   0.762  -1.529  -5.859
    7   3HB   ALA   1          HB3       ALA   1  -0.592  -2.195  -4.954
    8    H    SER   2           HN       SER   2  -2.958  -3.140  -6.875
    9    HA   SER   2           HA       SER   2  -5.142  -1.275  -6.468
   10   1HB   SER   2          HB2       SER   2  -5.408  -3.138  -8.080
   11   2HB   SER   2          HB1       SER   2  -5.123  -4.298  -6.785
   12    HG   SER   2           HG       SER   2  -7.080  -3.970  -6.017
   13    H    CYS   3           HN       CYS   3  -6.817  -2.164  -4.760
   14    HA   CYS   3           HA       CYS   3  -5.432  -3.193  -2.422
   15   1HB   CYS   3          HB2       CYS   3  -5.147  -0.860  -2.087
   16   2HB   CYS   3          HB1       CYS   3  -6.842  -0.552  -2.421
   17    H    ARG   4           HN       ARG   4  -6.546  -4.033  -0.950
   18    HA   ARG   4           HA       ARG   4  -9.471  -4.319  -1.136
   19   1HB   ARG   4          HB2       ARG   4  -7.929  -6.365  -1.597
   20   2HB   ARG   4          HB1       ARG   4  -7.594  -6.319   0.118
   21   1HG   ARG   4          HG2       ARG   4 -10.078  -6.531   0.480
   22   2HG   ARG   4          HG1       ARG   4 -10.201  -6.877  -1.242
   23   1HD   ARG   4          HD2       ARG   4  -9.006  -8.495   0.938
   24   2HD   ARG   4          HD1       ARG   4  -9.982  -9.006  -0.431
   25    HE   ARG   4           HE       ARG   4  -7.222  -8.088  -0.880
   26   1HH1  ARG   4          1HH1      ARG   4  -9.589 -10.681  -0.953
   27   2HH1  ARG   4          2HH1      ARG   4  -8.550 -11.749  -1.851
   28   1HH2  ARG   4          1HH2      ARG   4  -5.875  -9.486  -2.013
   29   2HH2  ARG   4          2HH2      ARG   4  -6.423 -11.085  -2.425
   30    H    THR   5           HN       THR   5  -6.618  -3.790   0.627
   31    HA   THR   5           HA       THR   5  -7.726  -2.295   2.724
   32    HB   THR   5           HB       THR   5  -6.526  -3.952   4.459
   33    HG1  THR   5           HG1      THR   5  -7.078  -5.488   2.234
   34   1HG2  THR   5          1HG2      THR   5  -9.384  -4.306   3.545
   35   2HG2  THR   5          2HG2      THR   5  -8.811  -3.086   4.683
   36   3HG2  THR   5          3HG2      THR   5  -8.727  -4.795   5.110
   37    HA   PRO   6           HA       PRO   6  -3.585  -0.668   2.706
   38   1HB   PRO   6          HB2       PRO   6  -3.164  -1.350   5.574
   39   2HB   PRO   6          HB1       PRO   6  -3.047   0.191   4.757
   40   1HG   PRO   6          HG2       PRO   6  -5.102  -0.330   6.328
   41   2HG   PRO   6          HG1       PRO   6  -5.320   0.576   4.820
   42   1HD   PRO   6          HD2       PRO   6  -5.902  -2.280   5.402
   43   2HD   PRO   6          HD1       PRO   6  -6.834  -1.111   4.455
   44    H    LYS   7           HN       LYS   7  -3.904  -3.633   4.553
   45    HA   LYS   7           HA       LYS   7  -1.248  -4.519   4.334
   46   1HB   LYS   7          HB2       LYS   7  -3.750  -6.149   4.746
   47   2HB   LYS   7          HB1       LYS   7  -2.108  -6.650   5.128
   48   1HG   LYS   7          HG2       LYS   7  -1.953  -4.933   6.832
   49   2HG   LYS   7          HG1       LYS   7  -3.568  -4.352   6.420
   50   1HD   LYS   7          HD2       LYS   7  -3.681  -5.752   8.390
   51   2HD   LYS   7          HD1       LYS   7  -4.485  -6.561   7.046
   52   1HE   LYS   7          HE2       LYS   7  -2.464  -7.894   6.660
   53   2HE   LYS   7          HE1       LYS   7  -1.689  -7.101   8.028
   54   1HZ   LYS   7          HZ1       LYS   7  -2.544  -9.198   8.734
   55   2HZ   LYS   7          HZ2       LYS   7  -4.082  -8.857   8.109
   56   3HZ   LYS   7          HZ3       LYS   7  -3.494  -7.983   9.440
   57    H    ASP   8           HN       ASP   8  -3.769  -4.337   2.041
   58    HA   ASP   8           HA       ASP   8  -3.185  -6.828   0.696
   59   1HB   ASP   8          HB2       ASP   8  -5.450  -5.849   0.715
   60   2HB   ASP   8          HB1       ASP   8  -4.858  -4.489  -0.229
   61    H    CYS   9           HN       CYS   9  -2.286  -3.477   0.294
   62    HA   CYS   9           HA       CYS   9  -0.936  -4.051  -2.214
   63   1HB   CYS   9          HB2       CYS   9  -0.635  -1.382  -1.016
   64   2HB   CYS   9          HB1       CYS   9  -1.072  -1.847  -2.654
   65    H    ALA  10           HN       ALA  10  -0.204  -4.267   0.991
   66    HA   ALA  10           HA       ALA  10   2.260  -2.935   1.154
   67   1HB   ALA  10          HB1       ALA  10   2.625  -4.235   3.192
   68   2HB   ALA  10          HB2       ALA  10   1.276  -5.289   2.766
   69   3HB   ALA  10          HB3       ALA  10   0.986  -3.587   3.133
   70    H    ASP  11           HN       ASP  11   1.414  -6.159   0.052
   71    HA   ASP  11           HA       ASP  11   4.137  -7.056   0.033
   72   1HB   ASP  11          HB2       ASP  11   2.068  -8.557   0.187
   73   2HB   ASP  11          HB1       ASP  11   1.907  -8.319  -1.549
   74    HA   PRO  12           HA       PRO  12   3.645  -6.063  -4.773
   75   1HB   PRO  12          HB2       PRO  12   1.850  -3.899  -4.964
   76   2HB   PRO  12          HB1       PRO  12   1.634  -5.521  -5.621
   77   1HG   PRO  12          HG2       PRO  12   0.547  -4.325  -3.146
   78   2HG   PRO  12          HG1       PRO  12  -0.116  -5.607  -4.167
   79   1HD   PRO  12          HD2       PRO  12   0.988  -6.101  -1.755
   80   2HD   PRO  12          HD1       PRO  12   1.081  -7.253  -3.102
   81    H    CYS  13           HN       CYS  13   2.957  -3.477  -2.368
   82    HA   CYS  13           HA       CYS  13   4.769  -1.685  -3.589
   83   1HB   CYS  13          HB2       CYS  13   3.414  -1.819  -0.924
   84   2HB   CYS  13          HB1       CYS  13   4.609  -0.583  -1.270
   85    H    ARG  14           HN       ARG  14   5.219  -4.228  -1.227
   86    HA   ARG  14           HA       ARG  14   7.907  -3.554  -0.655
   87   1HB   ARG  14          HB2       ARG  14   6.607  -5.102   0.746
   88   2HB   ARG  14          HB1       ARG  14   6.554  -6.259  -0.571
   89   1HG   ARG  14          HG2       ARG  14   8.952  -6.553  -0.458
   90   2HG   ARG  14          HG1       ARG  14   9.069  -5.314   0.786
   91   1HD   ARG  14          HD2       ARG  14   9.161  -7.603   1.702
   92   2HD   ARG  14          HD1       ARG  14   7.788  -6.681   2.316
   93    HE   ARG  14           HE       ARG  14   6.333  -8.027   1.055
   94   1HH1  ARG  14          1HH1      ARG  14   9.679  -9.023   0.743
   95   2HH1  ARG  14          2HH1      ARG  14   9.286 -10.562   0.049
   96   1HH2  ARG  14          1HH2      ARG  14   5.811 -10.069   0.143
   97   2HH2  ARG  14          2HH2      ARG  14   7.098 -11.160  -0.282
   98    H    LYS  15           HN       LYS  15   6.390  -4.901  -3.411
   99    HA   LYS  15           HA       LYS  15   8.882  -5.858  -4.563
  100   1HB   LYS  15          HB2       LYS  15   6.082  -5.549  -5.643
  101   2HB   LYS  15          HB1       LYS  15   7.432  -6.052  -6.645
  102   1HG   LYS  15          HG2       LYS  15   7.695  -8.068  -5.456
  103   2HG   LYS  15          HG1       LYS  15   6.636  -7.522  -4.155
  104   1HD   LYS  15          HD2       LYS  15   5.456  -9.110  -5.536
  105   2HD   LYS  15          HD1       LYS  15   4.741  -7.515  -5.743
  106   1HE   LYS  15          HE2       LYS  15   6.777  -8.670  -7.636
  107   2HE   LYS  15          HE1       LYS  15   5.042  -8.890  -7.841
  108   1HZ   LYS  15          HZ1       LYS  15   6.601  -6.373  -7.983
  109   2HZ   LYS  15          HZ2       LYS  15   4.915  -6.371  -7.784
  110   3HZ   LYS  15          HZ3       LYS  15   5.602  -7.064  -9.169
  111    H    GLU  16           HN       GLU  16   6.664  -3.152  -4.849
  112    HA   GLU  16           HA       GLU  16   7.865  -1.984  -7.121
  113   1HB   GLU  16          HB2       GLU  16   5.658  -1.510  -5.257
  114   2HB   GLU  16          HB1       GLU  16   6.358  -0.067  -5.918
  115   1HG   GLU  16          HG2       GLU  16   4.513  -0.688  -7.290
  116   2HG   GLU  16          HG1       GLU  16   5.993  -0.981  -8.203
  117    H    THR  17           HN       THR  17   7.816  -1.181  -3.673
  118    HA   THR  17           HA       THR  17  10.005   0.726  -4.162
  119    HB   THR  17           HB       THR  17   8.042   0.763  -1.860
  120    HG1  THR  17           HG1      THR  17   7.998   1.954  -4.417
  121   1HG2  THR  17          1HG2      THR  17   9.978   2.859  -2.854
  122   2HG2  THR  17          2HG2      THR  17  10.192   1.871  -1.411
  123   3HG2  THR  17          3HG2      THR  17   8.867   3.031  -1.495
  124    H    GLY  18           HN       GLY  18   8.890  -2.004  -2.402
  125   1HA   GLY  18          HA2       GLY  18  10.369  -3.556  -1.411
  126   2HA   GLY  18          HA1       GLY  18  11.523  -2.257  -1.132
  127    H    CYS  19           HN       CYS  19   8.773  -0.868  -0.355
  128    HA   CYS  19           HA       CYS  19   9.078  -1.428   2.474
  129   1HB   CYS  19          HB2       CYS  19   7.444   0.714   1.110
  130   2HB   CYS  19          HB1       CYS  19   7.881   0.632   2.811
  131    HG   CYS  19           HG       CYS  19   9.489   2.605   1.996
  132    HA   PRO  20           HA       PRO  20   5.244  -3.778   2.005
  133   1HB   PRO  20          HB2       PRO  20   5.419  -5.120   4.326
  134   2HB   PRO  20          HB1       PRO  20   6.409  -5.552   2.926
  135   1HG   PRO  20          HG2       PRO  20   7.151  -3.995   5.367
  136   2HG   PRO  20          HG1       PRO  20   8.089  -5.216   4.490
  137   1HD   PRO  20          HD2       PRO  20   8.433  -2.492   4.217
  138   2HD   PRO  20          HD1       PRO  20   8.878  -3.689   2.984
  139    H    TYR  21           HN       TYR  21   5.198  -1.057   2.804
  140    HA   TYR  21           HA       TYR  21   3.327  -1.079   5.065
  141   1HB   TYR  21          HB2       TYR  21   5.166   1.147   4.185
  142   2HB   TYR  21          HB1       TYR  21   4.052   1.194   5.533
  143    HD1  TYR  21           HD1      TYR  21   4.459  -0.371   7.493
  144    HD2  TYR  21           HD2      TYR  21   7.359   0.356   4.467
  145    HE1  TYR  21           HE1      TYR  21   6.229  -1.171   9.000
  146    HE2  TYR  21           HE2      TYR  21   9.130  -0.443   5.963
  147    HH   TYR  21           HH       TYR  21   9.500  -0.652   8.425
  148    H    GLY  22           HN       GLY  22   1.989   1.054   4.940
  149   1HA   GLY  22          HA2       GLY  22   1.325   2.649   3.013
  150   2HA   GLY  22          HA1       GLY  22   0.866   1.140   2.245
  151    H    LYS  23           HN       LYS  23  -1.029   2.975   2.475
  152    HA   LYS  23           HA       LYS  23  -2.853   1.728   4.373
  153   1HB   LYS  23          HB2       LYS  23  -1.738   4.094   5.104
  154   2HB   LYS  23          HB1       LYS  23  -3.095   4.664   4.141
  155   1HG   LYS  23          HG2       LYS  23  -3.699   4.561   6.480
  156   2HG   LYS  23          HG1       LYS  23  -4.639   3.397   5.546
  157   1HD   LYS  23          HD2       LYS  23  -3.886   2.385   7.621
  158   2HD   LYS  23          HD1       LYS  23  -3.095   1.610   6.247
  159   1HE   LYS  23          HE2       LYS  23  -1.106   3.013   6.639
  160   2HE   LYS  23          HE1       LYS  23  -1.896   3.719   8.047
  161   1HZ   LYS  23          HZ1       LYS  23  -1.229   0.842   7.708
  162   2HZ   LYS  23          HZ2       LYS  23  -1.963   1.538   9.071
  163   3HZ   LYS  23          HZ3       LYS  23  -0.369   1.946   8.665
  164    H    CYS  24           HN       CYS  24  -5.017   1.875   3.658
  165    HA   CYS  24           HA       CYS  24  -5.090   2.168   0.758
  166   1HB   CYS  24          HB2       CYS  24  -5.807   0.053   1.997
  167   2HB   CYS  24          HB1       CYS  24  -7.199   0.964   2.570
  168    H    MET  25           HN       MET  25  -6.563   3.482  -0.305
  169    HA   MET  25           HA       MET  25  -7.788   5.622   1.256
  170   1HB   MET  25          HB2       MET  25  -6.485   5.765  -1.030
  171   2HB   MET  25          HB1       MET  25  -8.054   5.327  -1.681
  172   1HG   MET  25          HG2       MET  25  -9.060   7.291  -0.714
  173   2HG   MET  25          HG1       MET  25  -7.542   7.711   0.070
  174   1HE   MET  25          HE1       MET  25  -5.353   8.493  -1.245
  175   2HE   MET  25          HE2       MET  25  -5.255   8.543  -3.006
  176   3HE   MET  25          HE3       MET  25  -5.421   6.999  -2.174
  177    H    ASN  26           HN       ASN  26 -10.073   6.193   0.184
  178    HA   ASN  26           HA       ASN  26 -11.945   4.586   1.239
  179   1HB   ASN  26          HB2       ASN  26 -12.144   6.859  -0.078
  180   2HB   ASN  26          HB1       ASN  26 -12.656   5.795  -1.378
  181   1HD2  ASN  26          1HD2      ASN  26 -13.380   7.020   1.770
  182   2HD2  ASN  26          2HD2      ASN  26 -15.031   6.492   1.821
  183    H    ARG  27           HN       ARG  27 -11.160   4.415  -2.230
  184    HA   ARG  27           HA       ARG  27 -11.190   1.511  -1.978
  185   1HB   ARG  27          HB2       ARG  27 -12.835   3.063  -3.929
  186   2HB   ARG  27          HB1       ARG  27 -12.257   1.460  -4.340
  187   1HG   ARG  27          HG2       ARG  27 -14.086   2.231  -2.083
  188   2HG   ARG  27          HG1       ARG  27 -14.466   1.245  -3.496
  189   1HD   ARG  27          HD2       ARG  27 -12.535   0.518  -1.290
  190   2HD   ARG  27          HD1       ARG  27 -14.164  -0.123  -1.492
  191    HE   ARG  27           HE       ARG  27 -12.795  -0.635  -3.859
  192   1HH1  ARG  27          1HH1      ARG  27 -12.450  -1.457  -0.473
  193   2HH1  ARG  27          2HH1      ARG  27 -11.846  -3.059  -0.787
  194   1HH2  ARG  27          1HH2      ARG  27 -11.949  -2.715  -4.280
  195   2HH2  ARG  27          2HH2      ARG  27 -11.539  -3.760  -2.959
  196    H    LYS  28           HN       LYS  28  -9.099   3.413  -2.080
  197    HA   LYS  28           HA       LYS  28  -7.700   2.491  -4.489
  198   1HB   LYS  28          HB2       LYS  28  -7.723   5.281  -3.356
  199   2HB   LYS  28          HB1       LYS  28  -6.449   4.706  -4.406
  200   1HG   LYS  28          HG2       LYS  28  -7.893   5.909  -5.799
  201   2HG   LYS  28          HG1       LYS  28  -8.276   4.217  -6.107
  202   1HD   LYS  28          HD2       LYS  28 -10.209   4.366  -4.640
  203   2HD   LYS  28          HD1       LYS  28  -9.809   6.041  -4.256
  204   1HE   LYS  28          HE2       LYS  28 -10.521   4.989  -6.992
  205   2HE   LYS  28          HE1       LYS  28 -11.603   5.878  -5.924
  206   1HZ   LYS  28          HZ1       LYS  28 -10.717   7.410  -7.485
  207   2HZ   LYS  28          HZ2       LYS  28  -9.132   6.880  -7.226
  208   3HZ   LYS  28          HZ3       LYS  28  -9.948   7.724  -6.006
  209    H    CYS  29           HN       CYS  29  -5.219   3.043  -3.965
  210    HA   CYS  29           HA       CYS  29  -4.764   2.569  -1.118
  211   1HB   CYS  29          HB2       CYS  29  -4.698   0.448  -2.551
  212   2HB   CYS  29          HB1       CYS  29  -3.200   1.096  -3.193
  213    H    LYS  30           HN       LYS  30  -2.928   3.422  -0.274
  214    HA   LYS  30           HA       LYS  30  -0.934   4.476  -2.135
  215   1HB   LYS  30          HB2       LYS  30  -2.471   6.277  -1.198
  216   2HB   LYS  30          HB1       LYS  30  -1.733   5.920   0.340
  217   1HG   LYS  30          HG2       LYS  30   0.479   6.391  -0.689
  218   2HG   LYS  30          HG1       LYS  30  -0.388   7.003  -2.096
  219   1HD   LYS  30          HD2       LYS  30  -0.933   8.916  -1.064
  220   2HD   LYS  30          HD1       LYS  30  -1.349   8.084   0.431
  221   1HE   LYS  30          HE2       LYS  30   1.399   8.854  -0.516
  222   2HE   LYS  30          HE1       LYS  30   0.512   9.547   0.838
  223   1HZ   LYS  30          HZ1       LYS  30   0.527   7.200   1.782
  224   2HZ   LYS  30          HZ2       LYS  30   2.002   8.033   1.784
  225   3HZ   LYS  30          HZ3       LYS  30   1.710   6.849   0.614
  226    H    CYS  31           HN       CYS  31   1.095   4.090  -1.461
  227    HA   CYS  31           HA       CYS  31   1.361   2.593   1.013
  228   1HB   CYS  31          HB2       CYS  31   2.843   2.557  -1.576
  229   2HB   CYS  31          HB1       CYS  31   3.463   1.809  -0.144
  230    H    ASN  32           HN       ASN  32   3.757   2.651   1.682
  231    HA   ASN  32           HA       ASN  32   4.430   5.467   2.098
  232   1HB   ASN  32          HB2       ASN  32   4.198   3.819   4.043
  233   2HB   ASN  32          HB1       ASN  32   5.701   3.107   3.480
  234   1HD2  ASN  32          1HD2      ASN  32   7.587   4.235   3.694
  235   2HD2  ASN  32          2HD2      ASN  32   7.734   5.634   4.705
  236    H    ARG  33           HN       ARG  33   5.059   5.339  -0.227
  237    HA   ARG  33           HA       ARG  33   7.531   4.012  -0.842
  238   1HB   ARG  33          HB2       ARG  33   5.802   4.295  -2.566
  239   2HB   ARG  33          HB1       ARG  33   5.935   6.042  -2.419
  240   1HG   ARG  33          HG2       ARG  33   8.220   5.958  -3.237
  241   2HG   ARG  33          HG1       ARG  33   8.135   4.199  -3.332
  242   1HD   ARG  33          HD2       ARG  33   6.435   6.139  -4.895
  243   2HD   ARG  33          HD1       ARG  33   7.812   5.242  -5.522
  244    HE   ARG  33           HE       ARG  33   5.529   3.756  -4.437
  245   1HH1  ARG  33          1HH1      ARG  33   7.549   4.650  -7.156
  246   2HH1  ARG  33          2HH1      ARG  33   6.784   3.535  -8.257
  247   1HH2  ARG  33          1HH2      ARG  33   4.534   2.264  -5.870
  248   2HH2  ARG  33          2HH2      ARG  33   5.068   2.187  -7.531
  249    H    CYS  34           HN       CYS  34   9.436   4.775  -0.448
  250    HA   CYS  34           HA       CYS  34  11.174   6.053   0.115
  251   1HB   CYS  34          HB2       CYS  34   9.553   8.141  -1.303
  252   2HB   CYS  34          HB1       CYS  34  11.249   8.299  -0.873
  253    HG   CYS  34           HG       CYS  34  11.564   7.748  -3.444
  Start of MODEL   17
    1   1H    ALA   1           HT1      ALA   1  -1.665  -0.384  -7.868
    2   2H    ALA   1           HT2      ALA   1  -0.209  -0.317  -7.000
    3   3H    ALA   1           HT3      ALA   1  -1.487   0.713  -6.592
    4    HA   ALA   1           HA       ALA   1  -1.436  -2.226  -6.315
    5   1HB   ALA   1          HB1       ALA   1  -1.502  -1.803  -3.928
    6   2HB   ALA   1          HB2       ALA   1  -1.521  -0.063  -4.220
    7   3HB   ALA   1          HB3       ALA   1  -0.103  -1.015  -4.654
    8    H    SER   2           HN       SER   2  -3.322  -3.226  -6.068
    9    HA   SER   2           HA       SER   2  -5.758  -1.608  -5.750
   10   1HB   SER   2          HB2       SER   2  -5.491  -4.363  -6.979
   11   2HB   SER   2          HB1       SER   2  -6.955  -3.380  -6.916
   12    HG   SER   2           HG       SER   2  -4.961  -3.343  -8.731
   13    H    CYS   3           HN       CYS   3  -6.708  -1.825  -3.810
   14    HA   CYS   3           HA       CYS   3  -5.869  -4.092  -2.138
   15   1HB   CYS   3          HB2       CYS   3  -6.059  -2.395  -0.250
   16   2HB   CYS   3          HB1       CYS   3  -4.697  -2.206  -1.348
   17    H    ARG   4           HN       ARG   4  -7.236  -4.665  -0.403
   18    HA   ARG   4           HA       ARG   4  -9.961  -3.616  -0.445
   19   1HB   ARG   4          HB2       ARG   4  -8.716  -6.121   0.654
   20   2HB   ARG   4          HB1       ARG   4 -10.305  -5.583   1.138
   21   1HG   ARG   4          HG2       ARG   4 -11.099  -5.780  -1.143
   22   2HG   ARG   4          HG1       ARG   4  -9.478  -6.246  -1.667
   23   1HD   ARG   4          HD2       ARG   4 -10.991  -8.174  -1.385
   24   2HD   ARG   4          HD1       ARG   4  -9.574  -8.255  -0.343
   25    HE   ARG   4           HE       ARG   4 -11.901  -7.056   0.878
   26   1HH1  ARG   4          1HH1      ARG   4 -10.163 -10.035   0.248
   27   2HH1  ARG   4          2HH1      ARG   4 -10.848 -10.876   1.607
   28   1HH2  ARG   4          1HH2      ARG   4 -12.789  -8.149   2.681
   29   2HH2  ARG   4          2HH2      ARG   4 -12.337  -9.804   2.993
   30    H    THR   5           HN       THR   5  -7.123  -4.280   1.406
   31    HA   THR   5           HA       THR   5  -7.780  -2.172   3.305
   32    HB   THR   5           HB       THR   5  -6.801  -3.574   5.138
   33    HG1  THR   5           HG1      THR   5  -6.723  -5.435   3.026
   34   1HG2  THR   5          1HG2      THR   5  -9.254  -4.715   3.803
   35   2HG2  THR   5          2HG2      THR   5  -9.221  -3.359   4.932
   36   3HG2  THR   5          3HG2      THR   5  -8.786  -4.978   5.484
   37    HA   PRO   6           HA       PRO   6  -3.533  -0.836   2.967
   38   1HB   PRO   6          HB2       PRO   6  -2.940  -1.562   5.782
   39   2HB   PRO   6          HB1       PRO   6  -2.801  -0.018   4.972
   40   1HG   PRO   6          HG2       PRO   6  -4.751  -0.427   6.690
   41   2HG   PRO   6          HG1       PRO   6  -5.036   0.478   5.194
   42   1HD   PRO   6          HD2       PRO   6  -5.674  -2.358   5.819
   43   2HD   PRO   6          HD1       PRO   6  -6.665  -1.145   4.987
   44    H    LYS   7           HN       LYS   7  -3.762  -3.811   4.939
   45    HA   LYS   7           HA       LYS   7  -1.155  -4.707   4.481
   46   1HB   LYS   7          HB2       LYS   7  -3.641  -6.323   5.030
   47   2HB   LYS   7          HB1       LYS   7  -2.015  -6.985   5.026
   48   1HG   LYS   7          HG2       LYS   7  -1.649  -5.005   6.772
   49   2HG   LYS   7          HG1       LYS   7  -3.372  -5.286   7.025
   50   1HD   LYS   7          HD2       LYS   7  -1.118  -7.267   7.299
   51   2HD   LYS   7          HD1       LYS   7  -2.172  -6.649   8.572
   52   1HE   LYS   7          HE2       LYS   7  -3.103  -8.317   6.237
   53   2HE   LYS   7          HE1       LYS   7  -2.725  -8.961   7.831
   54   1HZ   LYS   7          HZ1       LYS   7  -5.050  -8.657   7.697
   55   2HZ   LYS   7          HZ2       LYS   7  -4.902  -7.072   7.120
   56   3HZ   LYS   7          HZ3       LYS   7  -4.466  -7.438   8.718
   57    H    ASP   8           HN       ASP   8  -3.913  -4.678   2.423
   58    HA   ASP   8           HA       ASP   8  -3.163  -6.830   0.723
   59   1HB   ASP   8          HB2       ASP   8  -4.918  -4.433   0.253
   60   2HB   ASP   8          HB1       ASP   8  -4.570  -5.582  -1.022
   61    H    CYS   9           HN       CYS   9  -2.181  -3.489   0.861
   62    HA   CYS   9           HA       CYS   9  -0.823  -3.705  -1.697
   63   1HB   CYS   9          HB2       CYS   9  -1.046  -1.356   0.170
   64   2HB   CYS   9          HB1       CYS   9  -0.342  -1.328  -1.421
   65    H    ALA  10           HN       ALA  10  -0.022  -4.693   1.284
   66    HA   ALA  10           HA       ALA  10   2.456  -3.405   1.677
   67   1HB   ALA  10          HB1       ALA  10   1.617  -6.128   2.673
   68   2HB   ALA  10          HB2       ALA  10   1.277  -4.598   3.483
   69   3HB   ALA  10          HB3       ALA  10   2.944  -5.147   3.301
   70    H    ASP  11           HN       ASP  11   1.468  -6.034  -0.314
   71    HA   ASP  11           HA       ASP  11   4.203  -6.784  -0.915
   72   1HB   ASP  11          HB2       ASP  11   2.357  -8.476  -0.872
   73   2HB   ASP  11          HB1       ASP  11   1.683  -7.717  -2.298
   74    HA   PRO  12           HA       PRO  12   2.828  -4.653  -5.099
   75   1HB   PRO  12          HB2       PRO  12   0.744  -2.807  -4.113
   76   2HB   PRO  12          HB1       PRO  12   0.800  -3.758  -5.597
   77   1HG   PRO  12          HG2       PRO  12  -0.802  -4.397  -3.547
   78   2HG   PRO  12          HG1       PRO  12  -0.075  -5.621  -4.601
   79   1HD   PRO  12          HD2       PRO  12   0.659  -4.833  -1.828
   80   2HD   PRO  12          HD1       PRO  12   0.734  -6.402  -2.614
   81    H    CYS  13           HN       CYS  13   2.502  -2.818  -2.035
   82    HA   CYS  13           HA       CYS  13   3.809  -0.547  -3.185
   83   1HB   CYS  13          HB2       CYS  13   3.100  -1.309  -0.363
   84   2HB   CYS  13          HB1       CYS  13   3.906   0.190  -0.787
   85    H    ARG  14           HN       ARG  14   4.829  -3.362  -1.375
   86    HA   ARG  14           HA       ARG  14   7.517  -2.689  -1.125
   87   1HB   ARG  14          HB2       ARG  14   6.557  -4.619  -0.026
   88   2HB   ARG  14          HB1       ARG  14   6.131  -5.338  -1.562
   89   1HG   ARG  14          HG2       ARG  14   8.010  -6.481  -0.665
   90   2HG   ARG  14          HG1       ARG  14   8.534  -5.556  -2.072
   91   1HD   ARG  14          HD2       ARG  14   9.595  -3.937  -0.737
   92   2HD   ARG  14          HD1       ARG  14   8.780  -4.499   0.719
   93    HE   ARG  14           HE       ARG  14  10.106  -6.631   0.295
   94   1HH1  ARG  14          1HH1      ARG  14  11.260  -3.422  -0.447
   95   2HH1  ARG  14          2HH1      ARG  14  12.938  -3.854  -0.323
   96   1HH2  ARG  14          1HH2      ARG  14  12.290  -7.212   0.484
   97   2HH2  ARG  14          2HH2      ARG  14  13.529  -6.001   0.254
   98    H    LYS  15           HN       LYS  15   5.649  -3.515  -3.914
   99    HA   LYS  15           HA       LYS  15   7.983  -4.004  -5.580
  100   1HB   LYS  15          HB2       LYS  15   5.150  -3.533  -6.509
  101   2HB   LYS  15          HB1       LYS  15   6.440  -4.348  -7.375
  102   1HG   LYS  15          HG2       LYS  15   5.548  -5.521  -4.799
  103   2HG   LYS  15          HG1       LYS  15   4.476  -5.658  -6.187
  104   1HD   LYS  15          HD2       LYS  15   5.809  -7.617  -6.145
  105   2HD   LYS  15          HD1       LYS  15   6.415  -6.614  -7.461
  106   1HE   LYS  15          HE2       LYS  15   8.251  -5.859  -6.077
  107   2HE   LYS  15          HE1       LYS  15   7.617  -6.765  -4.701
  108   1HZ   LYS  15          HZ1       LYS  15   8.576  -7.929  -7.262
  109   2HZ   LYS  15          HZ2       LYS  15   7.942  -8.808  -5.964
  110   3HZ   LYS  15          HZ3       LYS  15   9.405  -7.968  -5.780
  111    H    GLU  16           HN       GLU  16   5.609  -1.522  -4.943
  112    HA   GLU  16           HA       GLU  16   6.338   0.105  -7.171
  113   1HB   GLU  16          HB2       GLU  16   4.331   0.047  -4.983
  114   2HB   GLU  16          HB1       GLU  16   4.592   1.539  -5.841
  115   1HG   GLU  16          HG2       GLU  16   4.022   0.478  -7.947
  116   2HG   GLU  16          HG1       GLU  16   3.850  -1.066  -7.123
  117    H    THR  17           HN       THR  17   6.693   0.178  -3.662
  118    HA   THR  17           HA       THR  17   8.210   2.692  -3.914
  119    HB   THR  17           HB       THR  17   6.684   1.689  -1.497
  120    HG1  THR  17           HG1      THR  17   5.936   3.208  -3.701
  121   1HG2  THR  17          1HG2      THR  17   7.021   3.951  -0.623
  122   2HG2  THR  17          2HG2      THR  17   7.965   4.367  -2.054
  123   3HG2  THR  17          3HG2      THR  17   8.564   3.150  -0.924
  124    H    GLY  18           HN       GLY  18   8.149  -0.558  -2.817
  125   1HA   GLY  18          HA2       GLY  18  10.067  -1.840  -2.415
  126   2HA   GLY  18          HA1       GLY  18  10.971  -0.369  -2.081
  127    H    CYS  19           HN       CYS  19   8.180   0.009  -0.491
  128    HA   CYS  19           HA       CYS  19   9.243  -1.133   1.979
  129   1HB   CYS  19          HB2       CYS  19   7.517   1.311   1.542
  130   2HB   CYS  19          HB1       CYS  19   8.003   0.687   3.108
  131    HG   CYS  19           HG       CYS  19   9.443   3.056   1.997
  132    HA   PRO  20           HA       PRO  20   5.525  -3.577   1.809
  133   1HB   PRO  20          HB2       PRO  20   5.887  -4.964   4.082
  134   2HB   PRO  20          HB1       PRO  20   6.897  -5.236   2.655
  135   1HG   PRO  20          HG2       PRO  20   7.492  -3.637   5.116
  136   2HG   PRO  20          HG1       PRO  20   8.537  -4.769   4.243
  137   1HD   PRO  20          HD2       PRO  20   8.674  -2.058   3.949
  138   2HD   PRO  20          HD1       PRO  20   9.127  -3.208   2.673
  139    H    TYR  21           HN       TYR  21   5.411  -0.834   2.966
  140    HA   TYR  21           HA       TYR  21   3.341  -1.290   4.984
  141   1HB   TYR  21          HB2       TYR  21   4.972   1.215   4.630
  142   2HB   TYR  21          HB1       TYR  21   3.872   0.834   5.931
  143    HD1  TYR  21           HD1      TYR  21   4.498  -0.901   7.614
  144    HD2  TYR  21           HD2      TYR  21   7.247   0.547   4.711
  145    HE1  TYR  21           HE1      TYR  21   6.366  -1.752   8.966
  146    HE2  TYR  21           HE2      TYR  21   9.123  -0.297   6.051
  147    HH   TYR  21           HH       TYR  21   9.619  -0.886   8.351
  148    H    GLY  22           HN       GLY  22   1.758   0.635   4.987
  149   1HA   GLY  22          HA2       GLY  22   1.304   2.432   3.051
  150   2HA   GLY  22          HA1       GLY  22   0.838   0.937   2.262
  151    H    LYS  23           HN       LYS  23  -1.015   2.782   2.418
  152    HA   LYS  23           HA       LYS  23  -2.943   1.589   4.260
  153   1HB   LYS  23          HB2       LYS  23  -1.865   3.934   4.986
  154   2HB   LYS  23          HB1       LYS  23  -3.061   4.521   3.842
  155   1HG   LYS  23          HG2       LYS  23  -3.863   2.692   6.063
  156   2HG   LYS  23          HG1       LYS  23  -3.681   4.426   6.327
  157   1HD   LYS  23          HD2       LYS  23  -5.511   3.092   4.332
  158   2HD   LYS  23          HD1       LYS  23  -5.994   3.891   5.828
  159   1HE   LYS  23          HE2       LYS  23  -4.669   5.203   3.453
  160   2HE   LYS  23          HE1       LYS  23  -6.372   5.334   3.889
  161   1HZ   LYS  23          HZ1       LYS  23  -5.152   7.269   4.615
  162   2HZ   LYS  23          HZ2       LYS  23  -4.078   6.315   5.513
  163   3HZ   LYS  23          HZ3       LYS  23  -5.711   6.405   5.962
  164    H    CYS  24           HN       CYS  24  -5.022   1.603   3.402
  165    HA   CYS  24           HA       CYS  24  -5.026   2.052   0.502
  166   1HB   CYS  24          HB2       CYS  24  -5.361  -0.260   1.180
  167   2HB   CYS  24          HB1       CYS  24  -6.654   0.201   2.267
  168    H    MET  25           HN       MET  25  -6.576   3.307  -0.452
  169    HA   MET  25           HA       MET  25  -8.051   5.095   1.314
  170   1HB   MET  25          HB2       MET  25  -6.757   5.398  -1.133
  171   2HB   MET  25          HB1       MET  25  -8.465   5.476  -1.518
  172   1HG   MET  25          HG2       MET  25  -7.661   7.686  -1.143
  173   2HG   MET  25          HG1       MET  25  -8.733   7.243   0.180
  174   1HE   MET  25          HE1       MET  25  -7.786   9.309   1.568
  175   2HE   MET  25          HE2       MET  25  -6.712   9.710   0.229
  176   3HE   MET  25          HE3       MET  25  -6.069   9.573   1.866
  177    H    ASN  26           HN       ASN  26 -10.307   5.714   0.355
  178    HA   ASN  26           HA       ASN  26 -12.104   3.738   0.823
  179   1HB   ASN  26          HB2       ASN  26 -12.697   6.128   0.550
  180   2HB   ASN  26          HB1       ASN  26 -12.535   5.933  -1.182
  181   1HD2  ASN  26          1HD2      ASN  26 -14.128   4.903  -2.328
  182   2HD2  ASN  26          2HD2      ASN  26 -15.648   4.453  -1.633
  183    H    ARG  27           HN       ARG  27 -11.075   4.679  -2.445
  184    HA   ARG  27           HA       ARG  27 -10.904   1.846  -3.035
  185   1HB   ARG  27          HB2       ARG  27 -13.182   2.610  -3.782
  186   2HB   ARG  27          HB1       ARG  27 -12.378   3.660  -4.940
  187   1HG   ARG  27          HG2       ARG  27 -13.248   1.182  -5.501
  188   2HG   ARG  27          HG1       ARG  27 -11.920   1.969  -6.345
  189   1HD   ARG  27          HD2       ARG  27 -11.401  -0.350  -5.688
  190   2HD   ARG  27          HD1       ARG  27 -10.301   0.817  -4.980
  191    HE   ARG  27           HE       ARG  27 -12.544  -0.292  -3.423
  192   1HH1  ARG  27          1HH1      ARG  27  -9.132   0.347  -3.861
  193   2HH1  ARG  27          2HH1      ARG  27  -8.686  -0.205  -2.280
  194   1HH2  ARG  27          1HH2      ARG  27 -11.955  -1.037  -1.325
  195   2HH2  ARG  27          2HH2      ARG  27 -10.288  -0.997  -0.844
  196    H    LYS  28           HN       LYS  28  -8.892   3.325  -2.431
  197    HA   LYS  28           HA       LYS  28  -7.291   3.091  -4.838
  198   1HB   LYS  28          HB2       LYS  28  -7.613   5.643  -3.319
  199   2HB   LYS  28          HB1       LYS  28  -6.041   5.232  -3.973
  200   1HG   LYS  28          HG2       LYS  28  -7.262   4.952  -6.212
  201   2HG   LYS  28          HG1       LYS  28  -8.588   5.823  -5.436
  202   1HD   LYS  28          HD2       LYS  28  -5.746   6.815  -5.675
  203   2HD   LYS  28          HD1       LYS  28  -7.089   7.320  -6.700
  204   1HE   LYS  28          HE2       LYS  28  -7.201   7.596  -3.715
  205   2HE   LYS  28          HE1       LYS  28  -6.436   8.821  -4.723
  206   1HZ   LYS  28          HZ1       LYS  28  -8.923   9.029  -4.093
  207   2HZ   LYS  28          HZ2       LYS  28  -9.163   7.938  -5.376
  208   3HZ   LYS  28          HZ3       LYS  28  -8.409   9.430  -5.657
  209    H    CYS  29           HN       CYS  29  -4.904   3.507  -3.976
  210    HA   CYS  29           HA       CYS  29  -4.671   2.793  -1.177
  211   1HB   CYS  29          HB2       CYS  29  -4.578   0.740  -2.724
  212   2HB   CYS  29          HB1       CYS  29  -3.000   1.354  -3.193
  213    H    LYS  30           HN       LYS  30  -2.846   3.546  -0.197
  214    HA   LYS  30           HA       LYS  30  -0.857   4.852  -1.928
  215   1HB   LYS  30          HB2       LYS  30  -2.460   6.437  -0.673
  216   2HB   LYS  30          HB1       LYS  30  -1.548   5.956   0.737
  217   1HG   LYS  30          HG2       LYS  30   0.519   6.679  -0.445
  218   2HG   LYS  30          HG1       LYS  30  -0.517   7.378  -1.682
  219   1HD   LYS  30          HD2       LYS  30   0.081   9.121  -0.156
  220   2HD   LYS  30          HD1       LYS  30  -1.614   8.727   0.114
  221   1HE   LYS  30          HE2       LYS  30  -0.412   9.018   2.224
  222   2HE   LYS  30          HE1       LYS  30  -0.991   7.364   2.039
  223   1HZ   LYS  30          HZ1       LYS  30   1.300   7.524   2.886
  224   2HZ   LYS  30          HZ2       LYS  30   1.774   8.243   1.425
  225   3HZ   LYS  30          HZ3       LYS  30   1.196   6.653   1.434
  226    H    CYS  31           HN       CYS  31   1.152   4.386  -1.437
  227    HA   CYS  31           HA       CYS  31   1.619   2.415   0.583
  228   1HB   CYS  31          HB2       CYS  31   3.557   3.627  -1.368
  229   2HB   CYS  31          HB1       CYS  31   3.688   2.114  -0.526
  230    H    ASN  32           HN       ASN  32   3.284   2.636   2.178
  231    HA   ASN  32           HA       ASN  32   3.252   5.280   3.328
  232   1HB   ASN  32          HB2       ASN  32   3.011   3.117   4.633
  233   2HB   ASN  32          HB1       ASN  32   4.732   2.862   4.369
  234   1HD2  ASN  32          1HD2      ASN  32   3.267   3.223   6.848
  235   2HD2  ASN  32          2HD2      ASN  32   3.992   4.579   7.642
  236    H    ARG  33           HN       ARG  33   4.426   6.108   1.404
  237    HA   ARG  33           HA       ARG  33   7.302   5.799   1.537
  238   1HB   ARG  33          HB2       ARG  33   6.337   6.168  -0.640
  239   2HB   ARG  33          HB1       ARG  33   5.520   7.624  -0.087
  240   1HG   ARG  33          HG2       ARG  33   7.586   8.797   0.106
  241   2HG   ARG  33          HG1       ARG  33   8.516   7.323  -0.165
  242   1HD   ARG  33          HD2       ARG  33   6.590   8.393  -2.208
  243   2HD   ARG  33          HD1       ARG  33   8.259   8.957  -2.115
  244    HE   ARG  33           HE       ARG  33   8.762   6.431  -2.311
  245   1HH1  ARG  33          1HH1      ARG  33   6.151   8.106  -3.930
  246   2HH1  ARG  33          2HH1      ARG  33   6.156   7.039  -5.301
  247   1HH2  ARG  33          1HH2      ARG  33   8.787   5.052  -4.131
  248   2HH2  ARG  33          2HH2      ARG  33   7.649   5.334  -5.427
  249    H    CYS  34           HN       CYS  34   7.684   6.393   3.651
  250    HA   CYS  34           HA       CYS  34   7.218   9.218   4.311
  251   1HB   CYS  34          HB2       CYS  34   6.239   7.533   5.859
  252   2HB   CYS  34          HB1       CYS  34   7.855   6.912   6.165
  253    HG   CYS  34           HG       CYS  34   6.313   9.576   7.448
  Start of MODEL   18
    1   1H    ALA   1           HT1      ALA   1  -3.217  -5.273  -9.292
    2   2H    ALA   1           HT2      ALA   1  -1.556  -5.118  -9.611
    3   3H    ALA   1           HT3      ALA   1  -2.624  -3.881 -10.065
    4    HA   ALA   1           HA       ALA   1  -1.991  -4.721  -7.296
    5   1HB   ALA   1          HB1       ALA   1  -1.297  -2.164  -8.741
    6   2HB   ALA   1          HB2       ALA   1  -0.175  -3.484  -8.414
    7   3HB   ALA   1          HB3       ALA   1  -0.881  -2.585  -7.073
    8    H    SER   2           HN       SER   2  -3.806  -4.634  -6.185
    9    HA   SER   2           HA       SER   2  -5.430  -2.202  -6.361
   10   1HB   SER   2          HB2       SER   2  -6.528  -4.132  -7.594
   11   2HB   SER   2          HB1       SER   2  -6.624  -4.966  -6.044
   12    HG   SER   2           HG       SER   2  -8.442  -3.930  -5.852
   13    H    CYS   3           HN       CYS   3  -7.190  -2.695  -4.336
   14    HA   CYS   3           HA       CYS   3  -5.722  -3.713  -2.059
   15   1HB   CYS   3          HB2       CYS   3  -4.855  -1.560  -1.911
   16   2HB   CYS   3          HB1       CYS   3  -6.372  -0.832  -2.395
   17    H    ARG   4           HN       ARG   4  -6.860  -4.084  -0.339
   18    HA   ARG   4           HA       ARG   4  -9.736  -3.504  -0.295
   19   1HB   ARG   4          HB2       ARG   4  -9.091  -5.940  -0.734
   20   2HB   ARG   4          HB1       ARG   4  -8.522  -5.973   0.911
   21   1HG   ARG   4          HG2       ARG   4 -10.709  -5.507   1.759
   22   2HG   ARG   4          HG1       ARG   4 -11.337  -5.252   0.133
   23   1HD   ARG   4          HD2       ARG   4 -11.957  -7.452   1.024
   24   2HD   ARG   4          HD1       ARG   4 -10.942  -7.584  -0.405
   25    HE   ARG   4           HE       ARG   4  -9.061  -8.019   1.161
   26   1HH1  ARG   4          1HH1      ARG   4 -12.356  -8.617   2.195
   27   2HH1  ARG   4          2HH1      ARG   4 -11.914  -9.880   3.301
   28   1HH2  ARG   4          1HH2      ARG   4  -8.493  -9.704   2.589
   29   2HH2  ARG   4          2HH2      ARG   4  -9.725 -10.531   3.492
   30    H    THR   5           HN       THR   5  -6.719  -3.538   1.174
   31    HA   THR   5           HA       THR   5  -7.521  -2.032   3.456
   32    HB   THR   5           HB       THR   5  -6.191  -3.834   4.936
   33    HG1  THR   5           HG1      THR   5  -7.124  -5.191   2.688
   34   1HG2  THR   5          1HG2      THR   5  -8.385  -2.976   5.524
   35   2HG2  THR   5          2HG2      THR   5  -8.369  -4.730   5.693
   36   3HG2  THR   5          3HG2      THR   5  -9.140  -3.986   4.293
   37    HA   PRO   6           HA       PRO   6  -3.446  -0.410   3.031
   38   1HB   PRO   6          HB2       PRO   6  -2.392  -0.557   5.578
   39   2HB   PRO   6          HB1       PRO   6  -3.458   0.715   5.015
   40   1HG   PRO   6          HG2       PRO   6  -4.068  -1.725   6.606
   41   2HG   PRO   6          HG1       PRO   6  -4.705  -0.079   6.785
   42   1HD   PRO   6          HD2       PRO   6  -6.134  -1.997   5.613
   43   2HD   PRO   6          HD1       PRO   6  -6.172  -0.326   5.022
   44    H    LYS   7           HN       LYS   7  -3.446  -3.280   5.142
   45    HA   LYS   7           HA       LYS   7  -0.782  -4.007   4.494
   46   1HB   LYS   7          HB2       LYS   7  -2.029  -4.662   6.592
   47   2HB   LYS   7          HB1       LYS   7  -2.928  -5.811   5.614
   48   1HG   LYS   7          HG2       LYS   7  -0.928  -7.048   5.128
   49   2HG   LYS   7          HG1       LYS   7   0.065  -5.826   5.915
   50   1HD   LYS   7          HD2       LYS   7  -0.083  -7.452   7.552
   51   2HD   LYS   7          HD1       LYS   7  -1.381  -6.347   8.002
   52   1HE   LYS   7          HE2       LYS   7  -1.736  -8.881   6.404
   53   2HE   LYS   7          HE1       LYS   7  -2.017  -8.734   8.135
   54   1HZ   LYS   7          HZ1       LYS   7  -3.511  -7.387   5.953
   55   2HZ   LYS   7          HZ2       LYS   7  -3.714  -7.014   7.598
   56   3HZ   LYS   7          HZ3       LYS   7  -4.093  -8.565   7.026
   57    H    ASP   8           HN       ASP   8  -3.695  -4.225   2.772
   58    HA   ASP   8           HA       ASP   8  -3.087  -6.705   1.407
   59   1HB   ASP   8          HB2       ASP   8  -5.417  -5.925   1.721
   60   2HB   ASP   8          HB1       ASP   8  -5.077  -4.534   0.697
   61    H    CYS   9           HN       CYS   9  -2.058  -3.504   1.196
   62    HA   CYS   9           HA       CYS   9  -1.264  -3.697  -1.593
   63   1HB   CYS   9          HB2       CYS   9  -0.735  -1.390   0.257
   64   2HB   CYS   9          HB1       CYS   9  -0.833  -1.385  -1.486
   65    H    ALA  10           HN       ALA  10  -0.089  -4.874   1.147
   66    HA   ALA  10           HA       ALA  10   2.402  -3.661   1.505
   67   1HB   ALA  10          HB1       ALA  10   1.634  -6.501   2.177
   68   2HB   ALA  10          HB2       ALA  10   1.335  -5.092   3.198
   69   3HB   ALA  10          HB3       ALA  10   2.989  -5.593   2.852
   70    H    ASP  11           HN       ASP  11   1.421  -6.288  -0.615
   71    HA   ASP  11           HA       ASP  11   4.144  -6.939  -1.289
   72   1HB   ASP  11          HB2       ASP  11   2.268  -8.599  -1.442
   73   2HB   ASP  11          HB1       ASP  11   1.662  -7.703  -2.828
   74    HA   PRO  12           HA       PRO  12   2.957  -4.395  -5.343
   75   1HB   PRO  12          HB2       PRO  12   1.025  -2.480  -4.616
   76   2HB   PRO  12          HB1       PRO  12   0.805  -3.831  -5.727
   77   1HG   PRO  12          HG2       PRO  12   0.052  -3.583  -2.872
   78   2HG   PRO  12          HG1       PRO  12  -0.713  -4.509  -4.169
   79   1HD   PRO  12          HD2       PRO  12   0.747  -5.696  -2.245
   80   2HD   PRO  12          HD1       PRO  12   0.707  -6.301  -3.914
   81    H    CYS  13           HN       CYS  13   2.588  -2.931  -2.088
   82    HA   CYS  13           HA       CYS  13   4.019  -0.587  -2.819
   83   1HB   CYS  13          HB2       CYS  13   3.171  -1.804  -0.213
   84   2HB   CYS  13          HB1       CYS  13   4.224  -0.405  -0.251
   85    H    ARG  14           HN       ARG  14   4.939  -3.714  -1.530
   86    HA   ARG  14           HA       ARG  14   7.675  -3.003  -1.155
   87   1HB   ARG  14          HB2       ARG  14   6.783  -4.908   0.036
   88   2HB   ARG  14          HB1       ARG  14   6.315  -5.692  -1.457
   89   1HG   ARG  14          HG2       ARG  14   8.710  -5.868  -2.065
   90   2HG   ARG  14          HG1       ARG  14   9.123  -5.183  -0.494
   91   1HD   ARG  14          HD2       ARG  14   7.414  -7.639  -0.744
   92   2HD   ARG  14          HD1       ARG  14   9.172  -7.732  -0.750
   93    HE   ARG  14           HE       ARG  14   8.881  -6.413   1.466
   94   1HH1  ARG  14          1HH1      ARG  14   6.796  -8.957   0.274
   95   2HH1  ARG  14          2HH1      ARG  14   6.414  -9.566   1.856
   96   1HH2  ARG  14          1HH2      ARG  14   8.405  -7.232   3.555
   97   2HH2  ARG  14          2HH2      ARG  14   7.319  -8.580   3.711
   98    H    LYS  15           HN       LYS  15   5.780  -3.396  -3.901
   99    HA   LYS  15           HA       LYS  15   8.002  -4.366  -5.547
  100   1HB   LYS  15          HB2       LYS  15   5.537  -5.170  -5.738
  101   2HB   LYS  15          HB1       LYS  15   5.253  -3.627  -6.530
  102   1HG   LYS  15          HG2       LYS  15   5.578  -5.105  -8.287
  103   2HG   LYS  15          HG1       LYS  15   7.145  -4.319  -8.114
  104   1HD   LYS  15          HD2       LYS  15   7.665  -6.588  -8.345
  105   2HD   LYS  15          HD1       LYS  15   7.773  -6.292  -6.611
  106   1HE   LYS  15          HE2       LYS  15   5.394  -7.493  -8.030
  107   2HE   LYS  15          HE1       LYS  15   6.611  -8.407  -7.153
  108   1HZ   LYS  15          HZ1       LYS  15   4.775  -8.144  -5.714
  109   2HZ   LYS  15          HZ2       LYS  15   4.632  -6.495  -6.049
  110   3HZ   LYS  15          HZ3       LYS  15   5.955  -7.066  -5.150
  111    H    GLU  16           HN       GLU  16   5.945  -1.680  -4.909
  112    HA   GLU  16           HA       GLU  16   6.991  -0.036  -7.039
  113   1HB   GLU  16          HB2       GLU  16   4.593  -0.160  -6.324
  114   2HB   GLU  16          HB1       GLU  16   5.051   0.579  -4.810
  115   1HG   GLU  16          HG2       GLU  16   5.267   1.818  -7.555
  116   2HG   GLU  16          HG1       GLU  16   4.023   2.165  -6.362
  117    H    THR  17           HN       THR  17   6.940  -0.035  -3.481
  118    HA   THR  17           HA       THR  17   8.877   2.174  -3.484
  119    HB   THR  17           HB       THR  17   7.101   1.153  -1.247
  120    HG1  THR  17           HG1      THR  17   6.433   2.665  -3.269
  121   1HG2  THR  17          1HG2      THR  17   8.924   3.556  -1.345
  122   2HG2  THR  17          2HG2      THR  17   9.148   2.109  -0.364
  123   3HG2  THR  17          3HG2      THR  17   7.789   3.184  -0.050
  124    H    GLY  18           HN       GLY  18   8.263  -1.086  -2.542
  125   1HA   GLY  18          HA2       GLY  18   9.937  -2.681  -2.156
  126   2HA   GLY  18          HA1       GLY  18  11.047  -1.396  -1.687
  127    H    CYS  19           HN       CYS  19   8.432  -0.444  -0.202
  128    HA   CYS  19           HA       CYS  19   9.003  -1.920   2.258
  129   1HB   CYS  19          HB2       CYS  19   7.717   0.790   1.886
  130   2HB   CYS  19          HB1       CYS  19   8.171   0.049   3.410
  131    HG   CYS  19           HG       CYS  19  10.967  -0.049   2.261
  132    HA   PRO  20           HA       PRO  20   4.896  -3.547   1.681
  133   1HB   PRO  20          HB2       PRO  20   4.801  -5.132   3.844
  134   2HB   PRO  20          HB1       PRO  20   5.851  -5.503   2.475
  135   1HG   PRO  20          HG2       PRO  20   6.534  -4.256   5.106
  136   2HG   PRO  20          HG1       PRO  20   7.428  -5.473   4.179
  137   1HD   PRO  20          HD2       PRO  20   8.025  -2.785   4.196
  138   2HD   PRO  20          HD1       PRO  20   8.457  -3.898   2.881
  139    H    TYR  21           HN       TYR  21   5.107  -0.906   2.918
  140    HA   TYR  21           HA       TYR  21   2.909  -1.097   4.838
  141   1HB   TYR  21          HB2       TYR  21   4.931   1.120   4.813
  142   2HB   TYR  21          HB1       TYR  21   3.805   0.680   6.073
  143    HD1  TYR  21           HD1      TYR  21   4.162  -1.637   7.199
  144    HD2  TYR  21           HD2      TYR  21   7.138   0.413   4.960
  145    HE1  TYR  21           HE1      TYR  21   5.907  -2.971   8.306
  146    HE2  TYR  21           HE2      TYR  21   8.891  -0.907   6.059
  147    HH   TYR  21           HH       TYR  21   9.178  -2.177   8.193
  148    H    GLY  22           HN       GLY  22   1.635   0.962   4.911
  149   1HA   GLY  22          HA2       GLY  22   1.577   2.980   3.098
  150   2HA   GLY  22          HA1       GLY  22   0.853   1.631   2.238
  151    H    LYS  23           HN       LYS  23  -0.829   3.479   2.328
  152    HA   LYS  23           HA       LYS  23  -2.752   2.706   4.393
  153   1HB   LYS  23          HB2       LYS  23  -1.446   5.184   4.391
  154   2HB   LYS  23          HB1       LYS  23  -3.008   5.485   3.652
  155   1HG   LYS  23          HG2       LYS  23  -3.358   5.897   5.921
  156   2HG   LYS  23          HG1       LYS  23  -4.005   4.276   5.669
  157   1HD   LYS  23          HD2       LYS  23  -2.697   4.318   7.704
  158   2HD   LYS  23          HD1       LYS  23  -1.872   3.333   6.494
  159   1HE   LYS  23          HE2       LYS  23  -0.367   5.150   5.980
  160   2HE   LYS  23          HE1       LYS  23  -1.243   6.226   7.068
  161   1HZ   LYS  23          HZ1       LYS  23   0.316   3.819   7.839
  162   2HZ   LYS  23          HZ2       LYS  23  -0.609   4.744   8.914
  163   3HZ   LYS  23          HZ3       LYS  23   0.724   5.437   8.147
  164    H    CYS  24           HN       CYS  24  -4.813   2.545   3.566
  165    HA   CYS  24           HA       CYS  24  -4.945   2.866   0.642
  166   1HB   CYS  24          HB2       CYS  24  -5.106   0.544   1.694
  167   2HB   CYS  24          HB1       CYS  24  -6.660   1.050   2.340
  168    H    MET  25           HN       MET  25  -6.593   4.027  -0.269
  169    HA   MET  25           HA       MET  25  -8.334   5.506   1.579
  170   1HB   MET  25          HB2       MET  25  -6.968   6.449  -0.501
  171   2HB   MET  25          HB1       MET  25  -8.418   5.943  -1.343
  172   1HG   MET  25          HG2       MET  25  -9.751   7.358   0.179
  173   2HG   MET  25          HG1       MET  25  -8.248   7.920   0.907
  174   1HE   MET  25          HE1       MET  25  -6.406   9.329  -0.417
  175   2HE   MET  25          HE2       MET  25  -6.553   9.741  -2.124
  176   3HE   MET  25          HE3       MET  25  -6.347   8.060  -1.641
  177    H    ASN  26           HN       ASN  26 -10.593   5.900   0.453
  178    HA   ASN  26           HA       ASN  26 -12.219   3.838   0.822
  179   1HB   ASN  26          HB2       ASN  26 -13.057   6.055   0.336
  180   2HB   ASN  26          HB1       ASN  26 -12.555   5.894  -1.334
  181   1HD2  ASN  26          1HD2      ASN  26 -14.850   4.902   1.074
  182   2HD2  ASN  26          2HD2      ASN  26 -16.009   4.214  -0.017
  183    H    ARG  27           HN       ARG  27 -10.632   4.437  -2.271
  184    HA   ARG  27           HA       ARG  27 -10.747   1.580  -2.754
  185   1HB   ARG  27          HB2       ARG  27 -12.789   2.656  -3.822
  186   2HB   ARG  27          HB1       ARG  27 -11.677   3.475  -4.907
  187   1HG   ARG  27          HG2       ARG  27 -12.513   1.572  -6.048
  188   2HG   ARG  27          HG1       ARG  27 -10.840   1.227  -5.613
  189   1HD   ARG  27          HD2       ARG  27 -13.214   0.323  -3.991
  190   2HD   ARG  27          HD1       ARG  27 -12.458  -0.654  -5.242
  191    HE   ARG  27           HE       ARG  27 -10.364  -0.409  -3.816
  192   1HH1  ARG  27          1HH1      ARG  27 -13.620  -0.442  -2.504
  193   2HH1  ARG  27          2HH1      ARG  27 -13.125  -1.041  -0.954
  194   1HH2  ARG  27          1HH2      ARG  27  -9.727  -1.222  -1.762
  195   2HH2  ARG  27          2HH2      ARG  27 -10.926  -1.468  -0.526
  196    H    LYS  28           HN       LYS  28  -8.792   3.965  -2.315
  197    HA   LYS  28           HA       LYS  28  -7.017   3.241  -4.535
  198   1HB   LYS  28          HB2       LYS  28  -6.959   6.016  -3.542
  199   2HB   LYS  28          HB1       LYS  28  -6.450   5.373  -5.077
  200   1HG   LYS  28          HG2       LYS  28  -8.714   5.204  -5.844
  201   2HG   LYS  28          HG1       LYS  28  -9.329   5.658  -4.254
  202   1HD   LYS  28          HD2       LYS  28  -8.142   7.843  -4.504
  203   2HD   LYS  28          HD1       LYS  28  -7.758   7.385  -6.166
  204   1HE   LYS  28          HE2       LYS  28 -10.556   7.552  -5.053
  205   2HE   LYS  28          HE1       LYS  28  -9.759   8.862  -5.923
  206   1HZ   LYS  28          HZ1       LYS  28 -10.112   6.165  -7.098
  207   2HZ   LYS  28          HZ2       LYS  28  -9.719   7.612  -7.893
  208   3HZ   LYS  28          HZ3       LYS  28 -11.277   7.385  -7.254
  209    H    CYS  29           HN       CYS  29  -5.214   2.551  -3.771
  210    HA   CYS  29           HA       CYS  29  -4.557   3.017  -0.977
  211   1HB   CYS  29          HB2       CYS  29  -4.769   0.673  -1.928
  212   2HB   CYS  29          HB1       CYS  29  -3.266   1.008  -2.775
  213    H    LYS  30           HN       LYS  30  -2.750   3.895  -0.315
  214    HA   LYS  30           HA       LYS  30  -0.701   4.656  -2.273
  215   1HB   LYS  30          HB2       LYS  30  -2.098   6.565  -1.376
  216   2HB   LYS  30          HB1       LYS  30  -1.420   6.201   0.190
  217   1HG   LYS  30          HG2       LYS  30  -0.300   8.073  -0.965
  218   2HG   LYS  30          HG1       LYS  30   0.771   6.751  -0.519
  219   1HD   LYS  30          HD2       LYS  30   1.262   7.530  -2.763
  220   2HD   LYS  30          HD1       LYS  30   0.638   5.882  -2.803
  221   1HE   LYS  30          HE2       LYS  30  -1.606   6.832  -3.321
  222   2HE   LYS  30          HE1       LYS  30  -0.846   8.418  -3.463
  223   1HZ   LYS  30          HZ1       LYS  30  -1.037   7.456  -5.619
  224   2HZ   LYS  30          HZ2       LYS  30  -0.294   6.018  -5.119
  225   3HZ   LYS  30          HZ3       LYS  30   0.598   7.458  -5.194
  226    H    CYS  31           HN       CYS  31   1.464   4.538  -1.490
  227    HA   CYS  31           HA       CYS  31   1.738   2.543   0.562
  228   1HB   CYS  31          HB2       CYS  31   3.695   3.733  -1.377
  229   2HB   CYS  31          HB1       CYS  31   4.043   2.445  -0.275
  230    H    ASN  32           HN       ASN  32   3.732   2.733   1.898
  231    HA   ASN  32           HA       ASN  32   3.715   5.349   3.205
  232   1HB   ASN  32          HB2       ASN  32   3.265   3.183   4.477
  233   2HB   ASN  32          HB1       ASN  32   4.963   2.807   4.246
  234   1HD2  ASN  32          1HD2      ASN  32   6.495   3.971   5.339
  235   2HD2  ASN  32          2HD2      ASN  32   6.116   4.988   6.689
  236    H    ARG  33           HN       ARG  33   5.001   5.944   1.201
  237    HA   ARG  33           HA       ARG  33   7.686   5.244   0.900
  238   1HB   ARG  33          HB2       ARG  33   6.341   6.509  -0.756
  239   2HB   ARG  33          HB1       ARG  33   6.393   7.908   0.301
  240   1HG   ARG  33          HG2       ARG  33   8.018   8.091  -1.488
  241   2HG   ARG  33          HG1       ARG  33   8.812   8.007   0.079
  242   1HD   ARG  33          HD2       ARG  33   9.239   5.621  -0.270
  243   2HD   ARG  33          HD1       ARG  33   8.455   5.718  -1.844
  244    HE   ARG  33           HE       ARG  33  10.373   7.574  -2.064
  245   1HH1  ARG  33          1HH1      ARG  33  10.454   4.247  -0.979
  246   2HH1  ARG  33          2HH1      ARG  33  12.089   3.974  -1.491
  247   1HH2  ARG  33          1HH2      ARG  33  12.524   7.230  -2.741
  248   2HH2  ARG  33          2HH2      ARG  33  13.273   5.674  -2.492
  249    H    CYS  34           HN       CYS  34   8.945   5.223   2.668
  250    HA   CYS  34           HA       CYS  34   9.218   7.725   4.182
  251   1HB   CYS  34          HB2       CYS  34   8.484   5.742   5.503
  252   2HB   CYS  34          HB1       CYS  34   9.967   4.920   5.040
  253    HG   CYS  34           HG       CYS  34  10.599   5.594   7.533
  Start of MODEL   19
    1   1H    ALA   1           HT1      ALA   1  -2.636  -1.367  -9.178
    2   2H    ALA   1           HT2      ALA   1  -1.212  -0.924  -8.366
    3   3H    ALA   1           HT3      ALA   1  -2.584   0.059  -8.278
    4    HA   ALA   1           HA       ALA   1  -2.355  -2.677  -7.189
    5   1HB   ALA   1          HB1       ALA   1  -1.035  -1.045  -5.935
    6   2HB   ALA   1          HB2       ALA   1  -2.416  -1.611  -4.997
    7   3HB   ALA   1          HB3       ALA   1  -2.460  -0.024  -5.761
    8    H    SER   2           HN       SER   2  -4.176  -3.479  -6.201
    9    HA   SER   2           HA       SER   2  -6.674  -1.951  -6.496
   10   1HB   SER   2          HB2       SER   2  -6.470  -4.938  -6.908
   11   2HB   SER   2          HB1       SER   2  -7.809  -3.873  -7.332
   12    HG   SER   2           HG       SER   2  -5.261  -4.078  -8.567
   13    H    CYS   3           HN       CYS   3  -6.654  -1.406  -4.275
   14    HA   CYS   3           HA       CYS   3  -5.803  -3.361  -2.358
   15   1HB   CYS   3          HB2       CYS   3  -5.845  -1.686  -0.764
   16   2HB   CYS   3          HB1       CYS   3  -5.525  -0.788  -2.235
   17    H    ARG   4           HN       ARG   4  -6.921  -3.897  -0.515
   18    HA   ARG   4           HA       ARG   4  -9.850  -3.659  -0.525
   19   1HB   ARG   4          HB2       ARG   4  -8.317  -6.063  -0.623
   20   2HB   ARG   4          HB1       ARG   4  -9.067  -5.964   0.954
   21   1HG   ARG   4          HG2       ARG   4 -10.507  -7.200  -0.469
   22   2HG   ARG   4          HG1       ARG   4 -11.256  -5.634  -0.166
   23   1HD   ARG   4          HD2       ARG   4 -10.569  -4.823  -2.319
   24   2HD   ARG   4          HD1       ARG   4  -9.628  -6.286  -2.613
   25    HE   ARG   4           HE       ARG   4 -12.411  -6.802  -2.119
   26   1HH1  ARG   4          1HH1      ARG   4 -10.060  -5.964  -4.576
   27   2HH1  ARG   4          2HH1      ARG   4 -11.010  -6.602  -5.881
   28   1HH2  ARG   4          1HH2      ARG   4 -13.666  -7.634  -3.838
   29   2HH2  ARG   4          2HH2      ARG   4 -13.045  -7.562  -5.461
   30    H    THR   5           HN       THR   5  -6.860  -3.300   0.976
   31    HA   THR   5           HA       THR   5  -7.964  -2.275   3.429
   32    HB   THR   5           HB       THR   5  -6.110  -3.748   4.610
   33    HG1  THR   5           HG1      THR   5  -6.043  -4.685   2.145
   34   1HG2  THR   5          1HG2      THR   5  -8.784  -4.898   3.785
   35   2HG2  THR   5          2HG2      THR   5  -8.481  -3.868   5.186
   36   3HG2  THR   5          3HG2      THR   5  -7.780  -5.484   5.113
   37    HA   PRO   6           HA       PRO   6  -4.104   0.078   3.119
   38   1HB   PRO   6          HB2       PRO   6  -3.099   0.088   5.625
   39   2HB   PRO   6          HB1       PRO   6  -4.513   1.032   5.183
   40   1HG   PRO   6          HG2       PRO   6  -4.339  -1.606   6.562
   41   2HG   PRO   6          HG1       PRO   6  -5.360  -0.206   6.946
   42   1HD   PRO   6          HD2       PRO   6  -6.273  -2.342   5.581
   43   2HD   PRO   6          HD1       PRO   6  -6.863  -0.696   5.296
   44    H    LYS   7           HN       LYS   7  -3.995  -2.964   4.820
   45    HA   LYS   7           HA       LYS   7  -1.187  -3.244   4.765
   46   1HB   LYS   7          HB2       LYS   7  -2.592  -4.224   6.523
   47   2HB   LYS   7          HB1       LYS   7  -3.326  -5.288   5.333
   48   1HG   LYS   7          HG2       LYS   7  -1.171  -6.354   4.937
   49   2HG   LYS   7          HG1       LYS   7  -0.422  -5.278   6.118
   50   1HD   LYS   7          HD2       LYS   7  -2.647  -7.226   6.708
   51   2HD   LYS   7          HD1       LYS   7  -0.939  -7.502   7.052
   52   1HE   LYS   7          HE2       LYS   7  -0.939  -5.525   8.516
   53   2HE   LYS   7          HE1       LYS   7  -2.662  -5.311   8.204
   54   1HZ   LYS   7          HZ1       LYS   7  -2.341  -6.458  10.278
   55   2HZ   LYS   7          HZ2       LYS   7  -1.385  -7.643   9.532
   56   3HZ   LYS   7          HZ3       LYS   7  -3.036  -7.526   9.164
   57    H    ASP   8           HN       ASP   8  -3.746  -4.105   2.514
   58    HA   ASP   8           HA       ASP   8  -2.140  -6.267   1.432
   59   1HB   ASP   8          HB2       ASP   8  -3.892  -6.813  -0.008
   60   2HB   ASP   8          HB1       ASP   8  -4.684  -6.261   1.455
   61    H    CYS   9           HN       CYS   9  -2.133  -2.897   0.915
   62    HA   CYS   9           HA       CYS   9  -0.938  -3.154  -1.713
   63   1HB   CYS   9          HB2       CYS   9  -0.734  -0.710   0.010
   64   2HB   CYS   9          HB1       CYS   9  -0.683  -0.825  -1.724
   65    H    ALA  10           HN       ALA  10   0.038  -3.830   1.351
   66    HA   ALA  10           HA       ALA  10   2.619  -2.658   1.405
   67   1HB   ALA  10          HB1       ALA  10   1.635  -5.112   2.861
   68   2HB   ALA  10          HB2       ALA  10   1.478  -3.452   3.433
   69   3HB   ALA  10          HB3       ALA  10   3.077  -4.173   3.249
   70    H    ASP  11           HN       ASP  11   1.311  -5.385  -0.208
   71    HA   ASP  11           HA       ASP  11   3.898  -6.591  -0.661
   72   1HB   ASP  11          HB2       ASP  11   1.937  -8.053  -0.516
   73   2HB   ASP  11          HB1       ASP  11   1.222  -7.258  -1.907
   74    HA   PRO  12           HA       PRO  12   2.956  -4.636  -5.064
   75   1HB   PRO  12          HB2       PRO  12   1.260  -2.388  -4.128
   76   2HB   PRO  12          HB1       PRO  12   1.165  -3.318  -5.624
   77   1HG   PRO  12          HG2       PRO  12  -0.589  -3.672  -3.642
   78   2HG   PRO  12          HG1       PRO  12  -0.041  -5.015  -4.662
   79   1HD   PRO  12          HD2       PRO  12   0.699  -4.339  -1.858
   80   2HD   PRO  12          HD1       PRO  12   0.553  -5.906  -2.645
   81    H    CYS  13           HN       CYS  13   2.779  -2.531  -2.177
   82    HA   CYS  13           HA       CYS  13   4.634  -0.647  -3.255
   83   1HB   CYS  13          HB2       CYS  13   3.065  -0.354  -1.216
   84   2HB   CYS  13          HB1       CYS  13   4.349  -1.129  -0.307
   85    H    ARG  14           HN       ARG  14   5.055  -3.539  -1.266
   86    HA   ARG  14           HA       ARG  14   7.835  -3.174  -0.924
   87   1HB   ARG  14          HB2       ARG  14   6.311  -4.830   0.330
   88   2HB   ARG  14          HB1       ARG  14   6.554  -5.899  -1.042
   89   1HG   ARG  14          HG2       ARG  14   9.091  -5.358  -0.571
   90   2HG   ARG  14          HG1       ARG  14   8.476  -5.022   1.041
   91   1HD   ARG  14          HD2       ARG  14   8.172  -7.595  -0.493
   92   2HD   ARG  14          HD1       ARG  14   9.246  -7.319   0.868
   93    HE   ARG  14           HE       ARG  14   6.294  -7.311   1.045
   94   1HH1  ARG  14          1HH1      ARG  14   9.457  -7.872   2.441
   95   2HH1  ARG  14          2HH1      ARG  14   8.832  -8.662   3.862
   96   1HH2  ARG  14          1HH2      ARG  14   5.464  -8.342   2.901
   97   2HH2  ARG  14          2HH2      ARG  14   6.554  -8.947   4.114
   98    H    LYS  15           HN       LYS  15   5.968  -4.184  -3.621
   99    HA   LYS  15           HA       LYS  15   8.288  -5.348  -4.947
  100   1HB   LYS  15          HB2       LYS  15   6.007  -6.325  -5.223
  101   2HB   LYS  15          HB1       LYS  15   5.513  -4.829  -6.010
  102   1HG   LYS  15          HG2       LYS  15   7.115  -5.219  -7.795
  103   2HG   LYS  15          HG1       LYS  15   7.656  -6.695  -7.000
  104   1HD   LYS  15          HD2       LYS  15   4.805  -6.249  -7.860
  105   2HD   LYS  15          HD1       LYS  15   6.017  -6.978  -8.913
  106   1HE   LYS  15          HE2       LYS  15   4.860  -8.778  -7.920
  107   2HE   LYS  15          HE1       LYS  15   6.403  -8.680  -7.083
  108   1HZ   LYS  15          HZ1       LYS  15   5.344  -7.637  -5.224
  109   2HZ   LYS  15          HZ2       LYS  15   4.478  -9.042  -5.602
  110   3HZ   LYS  15          HZ3       LYS  15   3.866  -7.525  -6.052
  111    H    GLU  16           HN       GLU  16   6.310  -2.481  -4.973
  112    HA   GLU  16           HA       GLU  16   7.393  -1.354  -7.331
  113   1HB   GLU  16          HB2       GLU  16   5.533  -0.590  -5.147
  114   2HB   GLU  16          HB1       GLU  16   6.194   0.662  -6.151
  115   1HG   GLU  16          HG2       GLU  16   5.302  -0.460  -8.143
  116   2HG   GLU  16          HG1       GLU  16   4.613  -1.700  -7.099
  117    H    THR  17           HN       THR  17   7.735  -0.653  -3.852
  118    HA   THR  17           HA       THR  17  10.133   0.922  -4.529
  119    HB   THR  17           HB       THR  17   8.321   1.457  -2.172
  120    HG1  THR  17           HG1      THR  17   8.134   2.225  -4.850
  121   1HG2  THR  17          1HG2      THR  17  10.454   3.119  -3.529
  122   2HG2  THR  17          2HG2      THR  17  10.592   2.331  -1.954
  123   3HG2  THR  17          3HG2      THR  17   9.446   3.651  -2.187
  124    H    GLY  18           HN       GLY  18   8.727  -1.555  -2.638
  125   1HA   GLY  18          HA2       GLY  18  10.043  -3.226  -1.614
  126   2HA   GLY  18          HA1       GLY  18  11.339  -2.056  -1.397
  127    H    CYS  19           HN       CYS  19   8.537  -0.535  -0.569
  128    HA   CYS  19           HA       CYS  19   9.006  -0.970   2.265
  129   1HB   CYS  19          HB2       CYS  19   7.134   1.003   0.963
  130   2HB   CYS  19          HB1       CYS  19   7.761   1.037   2.601
  131    HG   CYS  19           HG       CYS  19   9.180   3.037   1.592
  132    HA   PRO  20           HA       PRO  20   5.325  -3.589   1.973
  133   1HB   PRO  20          HB2       PRO  20   5.700  -4.927   4.285
  134   2HB   PRO  20          HB1       PRO  20   6.626  -5.299   2.826
  135   1HG   PRO  20          HG2       PRO  20   7.431  -3.724   5.236
  136   2HG   PRO  20          HG1       PRO  20   8.381  -4.867   4.270
  137   1HD   PRO  20          HD2       PRO  20   8.532  -2.120   4.035
  138   2HD   PRO  20          HD1       PRO  20   8.983  -3.266   2.758
  139    H    TYR  21           HN       TYR  21   4.827  -0.975   2.614
  140    HA   TYR  21           HA       TYR  21   3.078  -1.199   4.945
  141   1HB   TYR  21          HB2       TYR  21   4.958   1.070   4.318
  142   2HB   TYR  21          HB1       TYR  21   3.700   1.127   5.530
  143    HD1  TYR  21           HD1      TYR  21   3.815  -0.508   7.474
  144    HD2  TYR  21           HD2      TYR  21   7.070   0.171   4.822
  145    HE1  TYR  21           HE1      TYR  21   5.354  -1.500   9.114
  146    HE2  TYR  21           HE2      TYR  21   8.618  -0.812   6.456
  147    HH   TYR  21           HH       TYR  21   7.557  -2.608   9.126
  148    H    GLY  22           HN       GLY  22   1.782   1.035   4.957
  149   1HA   GLY  22          HA2       GLY  22   1.142   2.745   3.161
  150   2HA   GLY  22          HA1       GLY  22   0.671   1.310   2.274
  151    H    LYS  23           HN       LYS  23  -1.178   3.152   2.614
  152    HA   LYS  23           HA       LYS  23  -3.117   1.811   4.335
  153   1HB   LYS  23          HB2       LYS  23  -1.967   4.284   5.017
  154   2HB   LYS  23          HB1       LYS  23  -3.516   4.668   4.284
  155   1HG   LYS  23          HG2       LYS  23  -3.843   4.520   6.632
  156   2HG   LYS  23          HG1       LYS  23  -4.596   3.104   5.896
  157   1HD   LYS  23          HD2       LYS  23  -3.352   2.502   7.917
  158   2HD   LYS  23          HD1       LYS  23  -2.657   1.748   6.481
  159   1HE   LYS  23          HE2       LYS  23  -0.936   3.491   6.405
  160   2HE   LYS  23          HE1       LYS  23  -1.625   4.237   7.846
  161   1HZ   LYS  23          HZ1       LYS  23  -1.088   2.290   9.117
  162   2HZ   LYS  23          HZ2       LYS  23   0.307   2.810   8.317
  163   3HZ   LYS  23          HZ3       LYS  23  -0.549   1.471   7.738
  164    H    CYS  24           HN       CYS  24  -5.128   1.731   3.303
  165    HA   CYS  24           HA       CYS  24  -5.214   3.133   0.720
  166   1HB   CYS  24          HB2       CYS  24  -5.258   0.605   0.606
  167   2HB   CYS  24          HB1       CYS  24  -6.833   0.672   1.396
  168    H    MET  25           HN       MET  25  -6.928   4.322   0.162
  169    HA   MET  25           HA       MET  25  -8.833   4.968   2.292
  170   1HB   MET  25          HB2       MET  25  -7.685   6.340  -0.027
  171   2HB   MET  25          HB1       MET  25  -9.396   6.628   0.208
  172   1HG   MET  25          HG2       MET  25  -8.039   8.334   1.285
  173   2HG   MET  25          HG1       MET  25  -8.968   7.416   2.467
  174   1HE   MET  25          HE1       MET  25  -5.654   6.347   0.591
  175   2HE   MET  25          HE2       MET  25  -4.435   6.887   1.745
  176   3HE   MET  25          HE3       MET  25  -5.437   8.069   0.903
  177    H    ASN  26           HN       ASN  26 -10.991   5.745   1.050
  178    HA   ASN  26           HA       ASN  26 -12.678   3.742   0.791
  179   1HB   ASN  26          HB2       ASN  26 -13.431   6.015   0.564
  180   2HB   ASN  26          HB1       ASN  26 -12.674   6.137  -1.009
  181   1HD2  ASN  26          1HD2      ASN  26 -15.356   4.845   0.788
  182   2HD2  ASN  26          2HD2      ASN  26 -16.318   4.407  -0.577
  183    H    ARG  27           HN       ARG  27 -10.969   4.885  -2.111
  184    HA   ARG  27           HA       ARG  27 -10.576   2.091  -2.774
  185   1HB   ARG  27          HB2       ARG  27 -12.699   2.914  -3.940
  186   2HB   ARG  27          HB1       ARG  27 -11.640   3.925  -4.915
  187   1HG   ARG  27          HG2       ARG  27 -12.063   1.980  -6.180
  188   2HG   ARG  27          HG1       ARG  27 -10.416   1.827  -5.571
  189   1HD   ARG  27          HD2       ARG  27 -12.871   0.508  -4.409
  190   2HD   ARG  27          HD1       ARG  27 -11.646  -0.275  -5.392
  191    HE   ARG  27           HE       ARG  27 -10.181   0.645  -3.362
  192   1HH1  ARG  27          1HH1      ARG  27 -13.159  -1.178  -3.452
  193   2HH1  ARG  27          2HH1      ARG  27 -12.927  -1.891  -1.882
  194   1HH2  ARG  27          1HH2      ARG  27  -9.870  -0.269  -1.274
  195   2HH2  ARG  27          2HH2      ARG  27 -11.075  -1.343  -0.626
  196    H    LYS  28           HN       LYS  28  -9.025   4.569  -1.952
  197    HA   LYS  28           HA       LYS  28  -7.094   4.443  -4.166
  198   1HB   LYS  28          HB2       LYS  28  -7.174   6.869  -2.503
  199   2HB   LYS  28          HB1       LYS  28  -6.652   6.653  -4.152
  200   1HG   LYS  28          HG2       LYS  28  -8.920   6.593  -4.936
  201   2HG   LYS  28          HG1       LYS  28  -9.525   6.646  -3.277
  202   1HD   LYS  28          HD2       LYS  28  -8.405   8.848  -3.001
  203   2HD   LYS  28          HD1       LYS  28  -7.975   8.800  -4.713
  204   1HE   LYS  28          HE2       LYS  28 -10.781   8.715  -3.616
  205   2HE   LYS  28          HE1       LYS  28  -9.986  10.150  -4.259
  206   1HZ   LYS  28          HZ1       LYS  28 -10.576   7.666  -5.781
  207   2HZ   LYS  28          HZ2       LYS  28  -9.797   9.040  -6.400
  208   3HZ   LYS  28          HZ3       LYS  28 -11.416   9.134  -5.904
  209    H    CYS  29           HN       CYS  29  -5.336   3.608  -3.507
  210    HA   CYS  29           HA       CYS  29  -4.715   3.500  -0.668
  211   1HB   CYS  29          HB2       CYS  29  -4.830   1.349  -2.023
  212   2HB   CYS  29          HB1       CYS  29  -3.362   1.904  -2.812
  213    H    LYS  30           HN       LYS  30  -2.999   4.356   0.158
  214    HA   LYS  30           HA       LYS  30  -0.901   5.405  -1.616
  215   1HB   LYS  30          HB2       LYS  30  -2.351   7.171  -0.451
  216   2HB   LYS  30          HB1       LYS  30  -1.571   6.631   1.018
  217   1HG   LYS  30          HG2       LYS  30   0.629   7.081  -0.206
  218   2HG   LYS  30          HG1       LYS  30  -0.353   8.014  -1.326
  219   1HD   LYS  30          HD2       LYS  30  -0.312   8.482   1.644
  220   2HD   LYS  30          HD1       LYS  30   0.731   9.329   0.510
  221   1HE   LYS  30          HE2       LYS  30  -1.073  10.779   0.871
  222   2HE   LYS  30          HE1       LYS  30  -1.389  10.034  -0.687
  223   1HZ   LYS  30          HZ1       LYS  30  -3.321  10.205   0.897
  224   2HZ   LYS  30          HZ2       LYS  30  -2.567   8.992   1.817
  225   3HZ   LYS  30          HZ3       LYS  30  -3.044   8.676   0.217
  226    H    CYS  31           HN       CYS  31   1.183   5.046  -0.936
  227    HA   CYS  31           HA       CYS  31   1.408   3.018   1.161
  228   1HB   CYS  31          HB2       CYS  31   2.435   2.649  -1.116
  229   2HB   CYS  31          HB1       CYS  31   3.555   3.936  -0.737
  230    H    ASN  32           HN       ASN  32   3.460   3.137   2.453
  231    HA   ASN  32           HA       ASN  32   3.946   5.820   3.433
  232   1HB   ASN  32          HB2       ASN  32   3.849   3.733   4.929
  233   2HB   ASN  32          HB1       ASN  32   5.409   3.297   4.252
  234   1HD2  ASN  32          1HD2      ASN  32   7.201   4.393   4.862
  235   2HD2  ASN  32          2HD2      ASN  32   7.243   5.506   6.184
  236    H    ARG  33           HN       ARG  33   4.411   5.532   0.852
  237    HA   ARG  33           HA       ARG  33   7.244   5.240   0.327
  238   1HB   ARG  33          HB2       ARG  33   5.370   4.595  -1.272
  239   2HB   ARG  33          HB1       ARG  33   5.103   6.316  -1.511
  240   1HG   ARG  33          HG2       ARG  33   7.496   6.484  -2.239
  241   2HG   ARG  33          HG1       ARG  33   7.549   4.719  -2.206
  242   1HD   ARG  33          HD2       ARG  33   5.763   6.454  -3.904
  243   2HD   ARG  33          HD1       ARG  33   7.109   5.463  -4.456
  244    HE   ARG  33           HE       ARG  33   4.896   4.098  -3.139
  245   1HH1  ARG  33          1HH1      ARG  33   6.611   4.867  -6.087
  246   2HH1  ARG  33          2HH1      ARG  33   5.752   3.693  -7.048
  247   1HH2  ARG  33          1HH2      ARG  33   3.756   2.542  -4.397
  248   2HH2  ARG  33          2HH2      ARG  33   4.124   2.380  -6.089
  249    H    CYS  34           HN       CYS  34   8.541   6.833   0.963
  250    HA   CYS  34           HA       CYS  34   7.521   9.563   1.099
  251   1HB   CYS  34          HB2       CYS  34  10.154   8.464   2.109
  252   2HB   CYS  34          HB1       CYS  34   9.460  10.039   2.478
  253    HG   CYS  34           HG       CYS  34   9.343   7.981   4.601
  Start of MODEL   20
    1   1H    ALA   1           HT1      ALA   1  -3.045  -2.843  -9.450
    2   2H    ALA   1           HT2      ALA   1  -3.772  -4.337  -9.111
    3   3H    ALA   1           HT3      ALA   1  -2.086  -4.189  -9.075
    4    HA   ALA   1           HA       ALA   1  -2.964  -4.263  -6.856
    5   1HB   ALA   1          HB1       ALA   1  -1.887  -2.275  -5.992
    6   2HB   ALA   1          HB2       ALA   1  -1.950  -1.519  -7.581
    7   3HB   ALA   1          HB3       ALA   1  -0.946  -2.947  -7.321
    8    H    SER   2           HN       SER   2  -5.351  -4.370  -7.444
    9    HA   SER   2           HA       SER   2  -6.753  -1.890  -6.811
   10   1HB   SER   2          HB2       SER   2  -7.538  -3.626  -8.571
   11   2HB   SER   2          HB1       SER   2  -8.050  -4.588  -7.184
   12    HG   SER   2           HG       SER   2  -8.931  -1.995  -7.940
   13    H    CYS   3           HN       CYS   3  -6.345  -1.470  -4.714
   14    HA   CYS   3           HA       CYS   3  -6.048  -3.607  -2.824
   15   1HB   CYS   3          HB2       CYS   3  -4.489  -1.867  -2.587
   16   2HB   CYS   3          HB1       CYS   3  -5.741  -0.637  -2.619
   17    H    ARG   4           HN       ARG   4  -7.006  -3.697  -0.844
   18    HA   ARG   4           HA       ARG   4  -9.754  -2.681  -0.646
   19   1HB   ARG   4          HB2       ARG   4  -9.506  -5.143  -1.161
   20   2HB   ARG   4          HB1       ARG   4  -8.773  -5.322   0.409
   21   1HG   ARG   4          HG2       ARG   4 -10.821  -4.474   1.454
   22   2HG   ARG   4          HG1       ARG   4 -11.568  -4.355  -0.134
   23   1HD   ARG   4          HD2       ARG   4 -12.218  -6.405   1.073
   24   2HD   ARG   4          HD1       ARG   4 -11.392  -6.741  -0.445
   25    HE   ARG   4           HE       ARG   4  -9.598  -7.619   0.716
   26   1HH1  ARG   4          1HH1      ARG   4 -11.952  -6.261   2.942
   27   2HH1  ARG   4          2HH1      ARG   4 -11.209  -6.974   4.348
   28   1HH2  ARG   4          1HH2      ARG   4  -8.642  -8.556   2.556
   29   2HH2  ARG   4          2HH2      ARG   4  -9.312  -8.253   4.128
   30    H    THR   5           HN       THR   5  -6.741  -3.310   0.796
   31    HA   THR   5           HA       THR   5  -7.270  -1.741   3.123
   32    HB   THR   5           HB       THR   5  -6.419  -3.840   4.565
   33    HG1  THR   5           HG1      THR   5  -7.392  -4.896   2.239
   34   1HG2  THR   5          1HG2      THR   5  -9.302  -3.284   3.874
   35   2HG2  THR   5          2HG2      THR   5  -8.355  -2.493   5.136
   36   3HG2  THR   5          3HG2      THR   5  -8.750  -4.206   5.272
   37    HA   PRO   6           HA       PRO   6  -2.954  -0.933   2.963
   38   1HB   PRO   6          HB2       PRO   6  -2.671  -1.802   5.798
   39   2HB   PRO   6          HB1       PRO   6  -2.226  -0.284   5.036
   40   1HG   PRO   6          HG2       PRO   6  -4.356  -0.389   6.578
   41   2HG   PRO   6          HG1       PRO   6  -4.378   0.546   5.076
   42   1HD   PRO   6          HD2       PRO   6  -5.519  -2.144   5.632
   43   2HD   PRO   6          HD1       PRO   6  -6.208  -0.804   4.698
   44    H    LYS   7           HN       LYS   7  -3.612  -3.888   4.843
   45    HA   LYS   7           HA       LYS   7  -1.174  -5.143   4.261
   46   1HB   LYS   7          HB2       LYS   7  -3.840  -6.189   5.161
   47   2HB   LYS   7          HB1       LYS   7  -2.479  -7.264   4.868
   48   1HG   LYS   7          HG2       LYS   7  -2.478  -4.961   6.809
   49   2HG   LYS   7          HG1       LYS   7  -2.724  -6.656   7.236
   50   1HD   LYS   7          HD2       LYS   7  -0.512  -7.218   6.420
   51   2HD   LYS   7          HD1       LYS   7  -0.270  -5.557   5.873
   52   1HE   LYS   7          HE2       LYS   7  -0.343  -4.755   8.149
   53   2HE   LYS   7          HE1       LYS   7  -0.731  -6.371   8.739
   54   1HZ   LYS   7          HZ1       LYS   7   1.770  -5.678   7.308
   55   2HZ   LYS   7          HZ2       LYS   7   1.402  -7.149   8.074
   56   3HZ   LYS   7          HZ3       LYS   7   1.626  -5.743   8.995
   57    H    ASP   8           HN       ASP   8  -3.872  -4.547   2.250
   58    HA   ASP   8           HA       ASP   8  -3.451  -6.893   0.593
   59   1HB   ASP   8          HB2       ASP   8  -5.704  -6.045   0.701
   60   2HB   ASP   8          HB1       ASP   8  -5.175  -4.443   0.193
   61    H    CYS   9           HN       CYS   9  -2.687  -3.482   0.534
   62    HA   CYS   9           HA       CYS   9  -1.298  -3.754  -1.993
   63   1HB   CYS   9          HB2       CYS   9  -0.704  -1.280  -1.406
   64   2HB   CYS   9          HB1       CYS   9  -2.312  -1.691  -1.966
   65    H    ALA  10           HN       ALA  10  -0.516  -4.556   1.050
   66    HA   ALA  10           HA       ALA  10   1.964  -3.288   1.403
   67   1HB   ALA  10          HB1       ALA  10   0.772  -4.411   3.233
   68   2HB   ALA  10          HB2       ALA  10   2.420  -5.018   3.074
   69   3HB   ALA  10          HB3       ALA  10   1.065  -5.972   2.470
   70    H    ASP  11           HN       ASP  11   1.003  -6.004  -0.531
   71    HA   ASP  11           HA       ASP  11   3.728  -6.805  -1.028
   72   1HB   ASP  11          HB2       ASP  11   1.902  -8.460  -1.163
   73   2HB   ASP  11          HB1       ASP  11   1.216  -7.582  -2.524
   74    HA   PRO  12           HA       PRO  12   2.768  -4.484  -5.286
   75   1HB   PRO  12          HB2       PRO  12   0.852  -2.485  -4.680
   76   2HB   PRO  12          HB1       PRO  12   0.681  -3.831  -5.805
   77   1HG   PRO  12          HG2       PRO  12  -0.282  -3.557  -3.036
   78   2HG   PRO  12          HG1       PRO  12  -0.919  -4.540  -4.365
   79   1HD   PRO  12          HD2       PRO  12   0.399  -5.621  -2.267
   80   2HD   PRO  12          HD1       PRO  12   0.478  -6.302  -3.903
   81    H    CYS  13           HN       CYS  13   2.127  -2.592  -2.263
   82    HA   CYS  13           HA       CYS  13   3.785  -0.451  -3.031
   83   1HB   CYS  13          HB2       CYS  13   2.835  -1.491  -0.376
   84   2HB   CYS  13          HB1       CYS  13   3.914  -0.120  -0.485
   85    H    ARG  14           HN       ARG  14   4.513  -3.526  -1.553
   86    HA   ARG  14           HA       ARG  14   7.209  -2.883  -0.929
   87   1HB   ARG  14          HB2       ARG  14   6.067  -4.579   0.319
   88   2HB   ARG  14          HB1       ARG  14   5.674  -5.476  -1.126
   89   1HG   ARG  14          HG2       ARG  14   8.541  -5.098  -0.484
   90   2HG   ARG  14          HG1       ARG  14   7.606  -6.202   0.521
   91   1HD   ARG  14          HD2       ARG  14   6.789  -7.207  -1.695
   92   2HD   ARG  14          HD1       ARG  14   8.146  -6.342  -2.421
   93    HE   ARG  14           HE       ARG  14   8.370  -8.457  -0.381
   94   1HH1  ARG  14          1HH1      ARG  14   9.744  -6.513  -2.938
   95   2HH1  ARG  14          2HH1      ARG  14  11.174  -7.491  -3.104
   96   1HH2  ARG  14          1HH2      ARG  14  10.232  -9.761  -0.581
   97   2HH2  ARG  14          2HH2      ARG  14  11.458  -9.340  -1.744
   98    H    LYS  15           HN       LYS  15   5.604  -3.568  -3.823
   99    HA   LYS  15           HA       LYS  15   8.104  -4.320  -5.165
  100   1HB   LYS  15          HB2       LYS  15   5.239  -4.196  -6.106
  101   2HB   LYS  15          HB1       LYS  15   6.593  -4.506  -7.189
  102   1HG   LYS  15          HG2       LYS  15   7.123  -6.543  -5.989
  103   2HG   LYS  15          HG1       LYS  15   5.836  -6.216  -4.824
  104   1HD   LYS  15          HD2       LYS  15   4.152  -6.504  -6.476
  105   2HD   LYS  15          HD1       LYS  15   5.340  -6.515  -7.782
  106   1HE   LYS  15          HE2       LYS  15   4.500  -8.765  -7.267
  107   2HE   LYS  15          HE1       LYS  15   6.235  -8.621  -6.996
  108   1HZ   LYS  15          HZ1       LYS  15   5.274  -9.814  -5.189
  109   2HZ   LYS  15          HZ2       LYS  15   4.092  -8.625  -4.932
  110   3HZ   LYS  15          HZ3       LYS  15   5.721  -8.288  -4.607
  111    H    GLU  16           HN       GLU  16   5.672  -1.872  -4.906
  112    HA   GLU  16           HA       GLU  16   6.588  -0.220  -7.028
  113   1HB   GLU  16          HB2       GLU  16   4.278  -0.166  -6.369
  114   2HB   GLU  16          HB1       GLU  16   4.709   0.262  -4.720
  115   1HG   GLU  16          HG2       GLU  16   5.529   2.428  -5.498
  116   2HG   GLU  16          HG1       GLU  16   5.153   1.982  -7.160
  117    H    THR  17           HN       THR  17   6.841   0.018  -3.476
  118    HA   THR  17           HA       THR  17   8.848   2.127  -3.896
  119    HB   THR  17           HB       THR  17   8.271   2.836  -1.560
  120    HG1  THR  17           HG1      THR  17   6.377   0.795  -1.906
  121   1HG2  THR  17          1HG2      THR  17   6.229   4.036  -2.204
  122   2HG2  THR  17          2HG2      THR  17   6.053   2.965  -3.596
  123   3HG2  THR  17          3HG2      THR  17   7.433   4.062  -3.494
  124    H    GLY  18           HN       GLY  18   8.336  -0.994  -2.962
  125   1HA   GLY  18          HA2       GLY  18   9.934  -2.541  -2.356
  126   2HA   GLY  18          HA1       GLY  18  11.021  -1.231  -1.904
  127    H    CYS  19           HN       CYS  19   8.314  -0.334  -0.465
  128    HA   CYS  19           HA       CYS  19   8.995  -1.685   2.031
  129   1HB   CYS  19          HB2       CYS  19   7.550   0.924   1.559
  130   2HB   CYS  19          HB1       CYS  19   8.029   0.267   3.116
  131    HG   CYS  19           HG       CYS  19  10.665   0.744   2.916
  132    HA   PRO  20           HA       PRO  20   4.904  -3.535   1.633
  133   1HB   PRO  20          HB2       PRO  20   5.061  -5.110   3.819
  134   2HB   PRO  20          HB1       PRO  20   5.910  -5.500   2.316
  135   1HG   PRO  20          HG2       PRO  20   6.963  -4.237   4.818
  136   2HG   PRO  20          HG1       PRO  20   7.700  -5.489   3.801
  137   1HD   PRO  20          HD2       PRO  20   8.389  -2.851   3.681
  138   2HD   PRO  20          HD1       PRO  20   8.515  -3.957   2.299
  139    H    TYR  21           HN       TYR  21   5.100  -0.921   2.680
  140    HA   TYR  21           HA       TYR  21   3.245  -1.028   4.937
  141   1HB   TYR  21          HB2       TYR  21   5.327   1.100   4.494
  142   2HB   TYR  21          HB1       TYR  21   4.291   0.888   5.883
  143    HD1  TYR  21           HD1      TYR  21   4.644  -1.101   7.383
  144    HD2  TYR  21           HD2      TYR  21   7.447   0.039   4.397
  145    HE1  TYR  21           HE1      TYR  21   6.375  -2.434   8.508
  146    HE2  TYR  21           HE2      TYR  21   9.186  -1.289   5.511
  147    HH   TYR  21           HH       TYR  21   8.461  -3.528   8.015
  148    H    GLY  22           HN       GLY  22   2.110   1.158   5.113
  149   1HA   GLY  22          HA2       GLY  22   1.724   3.150   3.495
  150   2HA   GLY  22          HA1       GLY  22   1.180   1.855   2.439
  151    H    LYS  23           HN       LYS  23  -0.709   3.471   2.665
  152    HA   LYS  23           HA       LYS  23  -2.565   2.174   4.528
  153   1HB   LYS  23          HB2       LYS  23  -1.798   4.492   5.342
  154   2HB   LYS  23          HB1       LYS  23  -2.653   5.111   3.947
  155   1HG   LYS  23          HG2       LYS  23  -4.568   3.567   5.042
  156   2HG   LYS  23          HG1       LYS  23  -3.702   4.113   6.479
  157   1HD   LYS  23          HD2       LYS  23  -5.481   5.674   5.939
  158   2HD   LYS  23          HD1       LYS  23  -3.909   6.440   5.686
  159   1HE   LYS  23          HE2       LYS  23  -4.119   5.773   3.258
  160   2HE   LYS  23          HE1       LYS  23  -5.787   5.337   3.608
  161   1HZ   LYS  23          HZ1       LYS  23  -4.617   8.033   4.032
  162   2HZ   LYS  23          HZ2       LYS  23  -6.245   7.590   4.229
  163   3HZ   LYS  23          HZ3       LYS  23  -5.544   7.573   2.685
  164    H    CYS  24           HN       CYS  24  -4.717   2.195   3.700
  165    HA   CYS  24           HA       CYS  24  -4.721   2.529   0.782
  166   1HB   CYS  24          HB2       CYS  24  -4.533   0.162   1.545
  167   2HB   CYS  24          HB1       CYS  24  -6.083   0.333   2.349
  168    H    MET  25           HN       MET  25  -6.527   3.352  -0.173
  169    HA   MET  25           HA       MET  25  -8.654   4.320   1.601
  170   1HB   MET  25          HB2       MET  25  -7.430   5.681  -0.292
  171   2HB   MET  25          HB1       MET  25  -8.561   4.827  -1.321
  172   1HG   MET  25          HG2       MET  25 -10.431   5.770  -0.101
  173   2HG   MET  25          HG1       MET  25  -9.309   6.594   0.979
  174   1HE   MET  25          HE1       MET  25 -11.489   8.326  -0.278
  175   2HE   MET  25          HE2       MET  25 -10.577   9.682  -0.946
  176   3HE   MET  25          HE3       MET  25 -10.141   9.013   0.621
  177    H    ASN  26           HN       ASN  26 -10.915   4.030   0.624
  178    HA   ASN  26           HA       ASN  26 -11.624   1.432   0.745
  179   1HB   ASN  26          HB2       ASN  26 -13.196   3.358   0.767
  180   2HB   ASN  26          HB1       ASN  26 -13.062   3.419  -0.976
  181   1HD2  ASN  26          1HD2      ASN  26 -15.216   2.981  -1.335
  182   2HD2  ASN  26          2HD2      ASN  26 -15.917   1.427  -1.028
  183    H    ARG  27           HN       ARG  27 -10.666   3.086  -2.211
  184    HA   ARG  27           HA       ARG  27 -10.543   0.441  -3.457
  185   1HB   ARG  27          HB2       ARG  27 -11.560   2.990  -4.667
  186   2HB   ARG  27          HB1       ARG  27 -11.096   1.603  -5.635
  187   1HG   ARG  27          HG2       ARG  27 -13.144   1.400  -3.451
  188   2HG   ARG  27          HG1       ARG  27 -13.561   1.887  -5.095
  189   1HD   ARG  27          HD2       ARG  27 -13.920  -0.506  -4.746
  190   2HD   ARG  27          HD1       ARG  27 -12.684  -0.206  -5.963
  191    HE   ARG  27           HE       ARG  27 -11.104  -0.597  -3.959
  192   1HH1  ARG  27          1HH1      ARG  27 -14.163  -2.213  -4.438
  193   2HH1  ARG  27          2HH1      ARG  27 -13.638  -3.689  -3.681
  194   1HH2  ARG  27          1HH2      ARG  27 -10.411  -2.530  -2.952
  195   2HH2  ARG  27          2HH2      ARG  27 -11.527  -3.865  -2.825
  196    H    LYS  28           HN       LYS  28  -8.624   2.955  -2.430
  197    HA   LYS  28           HA       LYS  28  -6.611   2.315  -4.439
  198   1HB   LYS  28          HB2       LYS  28  -6.976   5.167  -3.739
  199   2HB   LYS  28          HB1       LYS  28  -6.136   4.460  -5.085
  200   1HG   LYS  28          HG2       LYS  28  -8.264   3.851  -6.114
  201   2HG   LYS  28          HG1       LYS  28  -9.120   4.593  -4.758
  202   1HD   LYS  28          HD2       LYS  28  -7.246   6.017  -6.649
  203   2HD   LYS  28          HD1       LYS  28  -9.009   6.084  -6.708
  204   1HE   LYS  28          HE2       LYS  28  -7.373   6.944  -4.329
  205   2HE   LYS  28          HE1       LYS  28  -7.907   8.039  -5.601
  206   1HZ   LYS  28          HZ1       LYS  28  -9.682   6.439  -3.832
  207   2HZ   LYS  28          HZ2       LYS  28 -10.195   7.482  -5.069
  208   3HZ   LYS  28          HZ3       LYS  28  -9.394   8.109  -3.717
  209    H    CYS  29           HN       CYS  29  -4.803   1.955  -3.477
  210    HA   CYS  29           HA       CYS  29  -4.420   2.744  -0.709
  211   1HB   CYS  29          HB2       CYS  29  -4.072   0.371  -1.453
  212   2HB   CYS  29          HB1       CYS  29  -2.692   0.945  -2.378
  213    H    LYS  30           HN       LYS  30  -2.661   3.879   0.011
  214    HA   LYS  30           HA       LYS  30  -0.720   4.811  -1.984
  215   1HB   LYS  30          HB2       LYS  30  -2.236   6.633  -1.140
  216   2HB   LYS  30          HB1       LYS  30  -1.532   6.351   0.429
  217   1HG   LYS  30          HG2       LYS  30   0.673   6.885  -0.434
  218   2HG   LYS  30          HG1       LYS  30  -0.046   7.229  -2.008
  219   1HD   LYS  30          HD2       LYS  30  -1.110   8.644   0.378
  220   2HD   LYS  30          HD1       LYS  30   0.447   9.147  -0.263
  221   1HE   LYS  30          HE2       LYS  30  -1.217  10.509  -1.266
  222   2HE   LYS  30          HE1       LYS  30  -0.630   9.389  -2.493
  223   1HZ   LYS  30          HZ1       LYS  30  -3.145   9.081  -0.943
  224   2HZ   LYS  30          HZ2       LYS  30  -2.595   8.038  -2.169
  225   3HZ   LYS  30          HZ3       LYS  30  -3.031   9.632  -2.539
  226    H    CYS  31           HN       CYS  31   1.325   4.497  -1.451
  227    HA   CYS  31           HA       CYS  31   1.802   2.671   0.678
  228   1HB   CYS  31          HB2       CYS  31   3.739   3.872  -1.278
  229   2HB   CYS  31          HB1       CYS  31   3.953   2.433  -0.331
  230    H    ASN  32           HN       ASN  32   3.858   2.891   1.922
  231    HA   ASN  32           HA       ASN  32   3.905   5.571   3.130
  232   1HB   ASN  32          HB2       ASN  32   3.208   3.444   4.462
  233   2HB   ASN  32          HB1       ASN  32   4.930   3.078   4.471
  234   1HD2  ASN  32          1HD2      ASN  32   3.086   3.700   6.656
  235   2HD2  ASN  32          2HD2      ASN  32   3.771   5.068   7.471
  236    H    ARG  33           HN       ARG  33   5.299   5.764   1.089
  237    HA   ARG  33           HA       ARG  33   7.976   4.781   1.241
  238   1HB   ARG  33          HB2       ARG  33   6.970   5.267  -0.910
  239   2HB   ARG  33          HB1       ARG  33   6.740   6.945  -0.459
  240   1HG   ARG  33          HG2       ARG  33   8.605   6.746  -1.963
  241   2HG   ARG  33          HG1       ARG  33   9.172   7.250  -0.373
  242   1HD   ARG  33          HD2       ARG  33   9.158   4.342  -1.021
  243   2HD   ARG  33          HD1       ARG  33  10.398   5.359  -1.752
  244    HE   ARG  33           HE       ARG  33  10.412   5.964   0.930
  245   1HH1  ARG  33          1HH1      ARG  33  10.958   3.128  -1.041
  246   2HH1  ARG  33          2HH1      ARG  33  12.089   2.415   0.054
  247   1HH2  ARG  33          1HH2      ARG  33  11.906   5.047   2.392
  248   2HH2  ARG  33          2HH2      ARG  33  12.611   3.492   2.034
  249    H    CYS  34           HN       CYS  34   9.055   5.408   3.014
  250    HA   CYS  34           HA       CYS  34   9.320   8.292   3.498
  251   1HB   CYS  34          HB2       CYS  34  10.011   5.965   5.303
  252   2HB   CYS  34          HB1       CYS  34  10.182   7.670   5.717
  253    HG   CYS  34           HG       CYS  34   7.289   5.909   5.293