*HEADER    CONTRACTILE PROTEIN                     03-DEC-03   1V6R              
*TITLE     SOLUTION STRUCTURE OF ENDOTHELIN-1 WITH ITS C-TERMINAL                
*TITLE    2 FOLDING                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENDOTHELIN-1;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ET-1;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE OCCURS NATURALLY IN HUMANS.                  
*KEYWDS    ENDOTHELIN, A-HELIX, C-TERMINAL FOLDING, CARDIOVASCULAR               
*KEYWDS   2 BIOACTIVE PEPTIDE, G-PROTEIN COUPLED-RECEPTOR LIGAND                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.TAKASHIMA, N.MIMURA, T.OHKUBO, T.YOSHIDA, H.TAMAOKI,                
*AUTHOR   2 Y.KOBAYASHI                                                          
*REVDAT   1   16-MAR-04 1V6R    0                                                

assign (resid 2  and name  HN ) (resid 2  and name  HB# ) 2.9 1.3 1.3 ! SER SER 0
assign (resid 2  and name  HN ) (resid 2  and name  HA ) 2.4 0.5 0.5 ! SER SER 0
assign (resid 3  and name  HN ) (resid 3  and name  HB2 ) 3 0.5 0.5 ! CYS CYS 0
assign (resid 3  and name  HN ) (resid 3  and name  HA ) 3.2 0.7 0.7 ! CYS CYS 0
assign (resid 3  and name  HN ) (resid 3  and name  HB1 ) 3 0.5 0.5 ! CYS CYS 0
assign (resid 4  and name  HN ) (resid 4  and name  HB1 ) 2.8 0.5 0.5 ! SER SER 0
assign (resid 4  and name  HN ) (resid 4  and name  HB2 ) 2.8 0.5 0.5 ! SER SER 0
assign (resid 4  and name  HN ) (resid 4  and name  HA ) 2.8 0.5 0.5 ! SER SER 0
assign (resid 5  and name  HN ) (resid 5  and name  HB1 ) 3.2 0.7 0.7 ! SER SER 0
assign (resid 5  and name  HN ) (resid 5  and name  HA ) 2.8 0.5 0.5 ! SER SER 0
assign (resid 5  and name  HN ) (resid 5  and name  HB2 ) 3.2 0.7 0.7 ! SER SER 0
assign (resid 6  and name  HN ) (resid 6  and name  HB1 ) 3.8 0.7 0.7 ! LEU LEU 0
assign (resid 6  and name  HN ) (resid 6  and name  HA ) 3.2 0.7 0.7 ! LEU LEU 0
assign (resid 6  and name  HN ) (resid 6  and name  HB2 ) 2.8 0.5 0.5 ! LEU LEU 0
assign (resid 6  and name  HN ) (resid 6  and name  HD1# ) 4.2 1.4 1.4 ! LEU LEU 0
assign (resid 6  and name  HN ) (resid 6  and name  HD2# ) 4.2 1.4 1.4 ! LEU LEU 0
assign (resid 6  and name  HA ) (resid 6  and name  HD1# ) 3.2 1.4 1.4 ! LEU LEU 0
assign (resid 6  and name  HA ) (resid 6  and name  HD2# ) 4.2 1.4 1.4 ! LEU LEU 0
assign (resid 7  and name  HN ) (resid 7  and name  HB1 ) 2.8 0.5 0.5 ! MET MET 0
assign (resid 7  and name  HN ) (resid 7  and name  HB2 ) 3.2 0.7 0.7 ! MET MET 0
assign (resid 7  and name  HN ) (resid 7  and name  HA ) 2.8 0.5 0.5 ! MET MET 0
assign (resid 7  and name  HA ) (resid 7  and name  HG1 ) 3.2 0.7 0.7 ! MET MET 0
assign (resid 7  and name  HN ) (resid 7  and name  HG1 ) 3.8 0.7 0.7 ! MET MET 0
assign (resid 7  and name  HN ) (resid 7  and name  HG2 ) 3.8 0.7 0.7 ! MET MET 0
assign (resid 7  and name  HA ) (resid 7  and name  HG2 ) 3.8 0.7 0.7 ! MET MET 0
assign (resid 8  and name  HN ) (resid 8  and name  HB1 ) 2.8 0.5 0.5 ! ASP ASP 0
assign (resid 8  and name  HN ) (resid 8  and name  HB2 ) 2.8 0.5 0.5 ! ASP ASP 0
assign (resid 8  and name  HN ) (resid 8  and name  HA ) 2.8 0.5 0.5 ! ASP ASP 0
assign (resid 9  and name  HN ) (resid 9  and name  HB# ) 2.5 1.3 1.3 ! LYS LYS 0
assign (resid 9  and name  HA ) (resid 9  and name  HD# ) 4.5 1.3 1.3 ! LYS LYS 0
assign (resid 9  and name  HA ) (resid 9  and name  HG2 ) 3.8 0.7 0.7 ! LYS LYS 0
assign (resid 9  and name  HN ) (resid 9  and name  HD# ) 4.5 1.3 1.3 ! LYS LYS 0
assign (resid 9  and name  HN ) (resid 9  and name  HA ) 2.8 0.5 0.5 ! LYS LYS 0
assign (resid 9  and name  HN ) (resid 9  and name  HG1 ) 3.8 0.7 0.7 ! LYS LYS 0
assign (resid 9  and name  HA ) (resid 9  and name  HG1 ) 3.8 0.7 0.7 ! LYS LYS 0
assign (resid 9  and name  HN ) (resid 9  and name  HG2 ) 3.2 0.7 0.7 ! LYS LYS 0
assign (resid 10  and name  HN ) (resid 10  and name  HG# ) 3.3 1.3 1.3 ! GLU GLU 0
assign (resid 10  and name  HN ) (resid 10  and name  HA ) 2.8 0.5 0.5 ! GLU GLU 0
assign (resid 10  and name  HN ) (resid 10  and name  HB# ) 2.5 1.3 1.3 ! GLU GLU 0
assign (resid 10  and name  HA ) (resid 10  and name  HG# ) 3.3 1.3 1.3 ! GLU GLU 0
assign (resid 11  and name  HN ) (resid 11  and name  HB# ) 2.5 1.3 1.3 ! CYS CYS 0
assign (resid 11  and name  HN ) (resid 11  and name  HA ) 2.8 0.5 0.5 ! CYS CYS 0
assign (resid 12  and name  HA ) (resid 12  and name  HG2# ) 2.8 1.4 1.4 ! VAL VAL 0
assign (resid 12  and name  HN ) (resid 12  and name  HA ) 3.2 0.7 0.7 ! VAL VAL 0
assign (resid 12  and name  HN ) (resid 12  and name  HG1# ) 3.6 1.4 1.4 ! VAL VAL 0
assign (resid 12  and name  HN ) (resid 12  and name  HB ) 2.2 0.5 0.5 ! VAL VAL 0
assign (resid 12  and name  HN ) (resid 12  and name  HG2# ) 2.8 1.4 1.4 ! VAL VAL 0
assign (resid 12  and name  HA ) (resid 12  and name  HG1# ) 3.6 1.4 1.4 ! VAL VAL 0
assign (resid 13  and name  HN ) (resid 13  and name  HB# ) 2.5 1.3 1.3 ! TYR TYR 0
assign (resid 13  and name  HN ) (resid 13  and name  HA ) 2.8 0.5 0.5 ! TYR TYR 0
assign (resid 14  and name  HN ) (resid 14  and name  HB# ) 2.1 1.3 1.3 ! PHE PHE 0
assign (resid 14  and name  HN ) (resid 14  and name  HA ) 2.4 0.5 0.5 ! PHE PHE 0
assign (resid 15  and name  HN ) (resid 15  and name  HB1 ) 3 0.5 0.5 ! CYS CYS 0
assign (resid 15  and name  HN ) (resid 15  and name  HA ) 2.6 0.5 0.5 ! CYS CYS 0
assign (resid 15  and name  HN ) (resid 15  and name  HB2 ) 2.4 0.5 0.5 ! CYS CYS 0
assign (resid 16  and name  HN ) (resid 16  and name  HB# ) 2.9 1.3 1.3 ! HIS HIS 0
assign (resid 16  and name  HN ) (resid 16  and name  HA ) 2.2 0.5 0.5 ! HIS HIS 0
assign (resid 17  and name  HN ) (resid 17  and name  HA ) 2.8 0.5 0.5 ! LEU LEU 0
assign (resid 17  and name  HN ) (resid 17  and name  HB2 ) 3.2 0.7 0.7 ! LEU LEU 0
assign (resid 17  and name  HN ) (resid 17  and name  HB1 ) 2.8 0.5 0.5 ! LEU LEU 0
assign (resid 17  and name  HN ) (resid 17  and name  HD* ) 3 2.2 2.2 ! LEU LEU 0
assign (resid 18  and name  HN ) (resid 18  and name  HB2 ) 3.2 0.7 0.7 ! ASP ASP 0
assign (resid 18  and name  HN ) (resid 18  and name  HB1 ) 2.8 0.5 0.5 ! ASP ASP 0
assign (resid 18  and name  HN ) (resid 18  and name  HA ) 2.2 0.5 0.5 ! ASP ASP 0
assign (resid 19  and name  HN ) (resid 19  and name  HG11 ) 3.2 0.7 0.7 ! ILE ILE 0
assign (resid 19  and name  HN ) (resid 19  and name  HB ) 3 0.5 0.5 ! ILE ILE 0
assign (resid 19  and name  HN ) (resid 19  and name  HA ) 2.8 0.5 0.5 ! ILE ILE 0
assign (resid 19  and name  HA ) (resid 19  and name  HG11 ) 3.8 0.7 0.7 ! ILE ILE 0
assign (resid 19  and name  HA ) (resid 19  and name  HG12 ) 3.8 0.7 0.7 ! ILE ILE 0
assign (resid 19  and name  HN ) (resid 19  and name  HG12 ) 3.2 0.7 0.7 ! ILE ILE 0
assign (resid 19  and name  HN ) (resid 19  and name  HG1# ) 3.6 1.4 1.4 ! ILE ILE 0
assign (resid 19  and name  HN ) (resid 19  and name  HD1# ) 4.2 1.4 1.4 ! ILE ILE 0
assign (resid 20  and name  HN ) (resid 20  and name  HG12 ) 3.8 0.7 0.7 ! ILE ILE 0
assign (resid 20  and name  HN ) (resid 20  and name  HB ) 2.8 0.5 0.5 ! ILE ILE 0
assign (resid 20  and name  HN ) (resid 20  and name  HA ) 3.2 0.7 0.7 ! ILE ILE 0
assign (resid 20  and name  HA ) (resid 20  and name  HG12 ) 3.8 0.7 0.7 ! ILE ILE 0
assign (resid 20  and name  HA ) (resid 20  and name  HG11 ) 3.8 0.7 0.7 ! ILE ILE 0
assign (resid 20  and name  HN ) (resid 20  and name  HG11 ) 3.8 0.7 0.7 ! ILE ILE 0
assign (resid 21  and name  HN ) (resid 21  and name  HA ) 2.8 0.5 0.5 ! TRP TRP 0
assign (resid 21  and name  HE3 ) (resid 21  and name  HB1 ) 3.8 0.7 0.7 ! TRP TRP 0
assign (resid 21  and name  HE3 ) (resid 21  and name  HB2 ) 3.8 0.7 0.7 ! TRP TRP 0
assign (resid 21  and name  HE3 ) (resid 21  and name  HA ) 3.2 0.7 0.7 ! TRP TRP 0
assign (resid 21  and name  HN ) (resid 21  and name  HB1 ) 3.4 0.7 0.7 ! TRP TRP 0
assign (resid 21  and name  HN ) (resid 21  and name  HB2 ) 3.4 0.7 0.7 ! TRP TRP 0
assign (resid 1  and name  HA ) (resid 2  and name  HB# ) 4.3 1.2 1.2 ! CYS SER 1
assign (resid 1  and name  HA ) (resid 2  and name  HA ) 4.2 0.7 0.7 ! CYS SER 1
assign (resid 2  and name  HN ) (resid 1  and name  HA ) 2.4 0.3 0.3 ! SER CYS 1
assign (resid 2  and name  HN ) (resid 1  and name  HB# ) 3.3 1.2 1.2 ! SER CYS 1
assign (resid 2  and name  HB# ) (resid 1  and name  HB# ) 5 1.8 1.8 ! SER CYS 1
assign (resid 2  and name  HA ) (resid 3  and name  HB1 ) 4.8 1 1 ! SER CYS 1
assign (resid 2  and name  HB# ) (resid 3  and name  HB1 ) 5.5 1.2 1.2 ! SER CYS 1
assign (resid 2  and name  HA ) (resid 3  and name  HB2 ) 4.8 1 1 ! SER CYS 1
assign (resid 2  and name  HB# ) (resid 3  and name  HB2 ) 5.5 1.2 1.2 ! SER CYS 1
assign (resid 3  and name  HN ) (resid 2  and name  HB# ) 3.3 1.2 1.2 ! CYS SER 1
assign (resid 3  and name  HN ) (resid 2  and name  HA ) 2.4 0.3 0.3 ! CYS SER 1
assign (resid 3  and name  HN ) (resid 2  and name  HN ) 4.2 0.7 0.7 ! CYS SER 1
assign (resid 4  and name  HN ) (resid 3  and name  HA ) 2.8 0.3 0.3 ! SER CYS 1
assign (resid 4  and name  HN ) (resid 3  and name  HB2 ) 3.4 0.3 0.3 ! SER CYS 1
assign (resid 4  and name  HN ) (resid 3  and name  HN ) 4.8 1 1 ! SER CYS 1
assign (resid 4  and name  HN ) (resid 3  and name  HB1 ) 4.2 0.7 0.7 ! SER CYS 1
assign (resid 5  and name  HN ) (resid 4  and name  HN ) 3.2 0.3 0.3 ! SER SER 1
assign (resid 5  and name  HN ) (resid 4  and name  HB2 ) 4.8 1 1 ! SER SER 1
assign (resid 5  and name  HN ) (resid 4  and name  HA ) 3.2 0.3 0.3 ! SER SER 1
assign (resid 5  and name  HA ) (resid 6  and name  HD1# ) 5.8 1.3 1.3 ! SER LEU 1
assign (resid 5  and name  HA ) (resid 6  and name  HD2# ) 5.8 1.3 1.3 ! SER LEU 1
assign (resid 5  and name  HA ) (resid 6  and name  HG ) 4.8 1 1 ! SER LEU 1
assign (resid 6  and name  HN ) (resid 5  and name  HN ) 4.2 0.7 0.7 ! LEU SER 1
assign (resid 6  and name  HN ) (resid 5  and name  HB1 ) 4.8 1 1 ! LEU SER 1
assign (resid 6  and name  HN ) (resid 5  and name  HA ) 2.6 0.3 0.3 ! LEU SER 1
assign (resid 6  and name  HN ) (resid 5  and name  HB2 ) 4.2 0.7 0.7 ! LEU SER 1
assign (resid 7  and name  HN ) (resid 6  and name  HB1 ) 4.2 0.7 0.7 ! MET LEU 1
assign (resid 7  and name  HN ) (resid 6  and name  HB2 ) 4.2 0.7 0.7 ! MET LEU 1
assign (resid 7  and name  HN ) (resid 6  and name  HD1# ) 5.2 1.3 1.3 ! MET LEU 1
assign (resid 7  and name  HN ) (resid 6  and name  HD2# ) 5.2 1.3 1.3 ! MET LEU 1
assign (resid 7  and name  HN ) (resid 6  and name  HN ) 3.2 0.3 0.3 ! MET LEU 1
assign (resid 7  and name  HN ) (resid 6  and name  HA ) 3.6 0.5 0.5 ! MET LEU 1
assign (resid 7  and name  HN ) (resid 8  and name  HB2 ) 5.4 1 1 ! MET ASP 1
assign (resid 7  and name  HN ) (resid 8  and name  HB1 ) 5.4 1 1 ! MET ASP 1
assign (resid 8  and name  HN ) (resid 7  and name  HB1 ) 4.2 0.7 0.7 ! ASP MET 1
assign (resid 8  and name  HN ) (resid 7  and name  HG1 ) 4.8 1 1 ! ASP MET 1
assign (resid 8  and name  HN ) (resid 7  and name  HA ) 3.6 0.5 0.5 ! ASP MET 1
assign (resid 8  and name  HN ) (resid 7  and name  HN ) 2.8 0.3 0.3 ! ASP MET 1
assign (resid 8  and name  HN ) (resid 7  and name  HB2 ) 4.8 1 1 ! ASP MET 1
assign (resid 8  and name  HN ) (resid 7  and name  HG2 ) 5.4 1 1 ! ASP MET 1
assign (resid 9  and name  HN ) (resid 8  and name  HB2 ) 3.6 0.5 0.5 ! LYS ASP 1
assign (resid 9  and name  HN ) (resid 8  and name  HN ) 4.4 0.7 0.7 ! LYS ASP 1
assign (resid 9  and name  HA ) (resid 8  and name  HA ) 5.4 1 1 ! LYS ASP 1
assign (resid 9  and name  HN ) (resid 8  and name  HA ) 2.6 0.3 0.3 ! LYS ASP 1
assign (resid 9  and name  HN ) (resid 10  and name  HB# ) 4.9 1.2 1.2 ! LYS GLU 1
assign (resid 9  and name  HN ) (resid 10  and name  HG# ) 4.9 1.2 1.2 ! LYS GLU 1
assign (resid 10  and name  HN ) (resid 9  and name  HB# ) 3.7 1.2 1.2 ! GLU LYS 1
assign (resid 10  and name  HN ) (resid 9  and name  HG1 ) 5.4 1 1 ! GLU LYS 1
assign (resid 10  and name  HN ) (resid 9  and name  HA ) 3.6 0.5 0.5 ! GLU LYS 1
assign (resid 10  and name  HN ) (resid 9  and name  HN ) 3.2 0.3 0.3 ! GLU LYS 1
assign (resid 10  and name  HN ) (resid 9  and name  HG2 ) 4.8 1 1 ! GLU LYS 1
assign (resid 10  and name  HN ) (resid 11  and name  HB# ) 4.9 1.2 1.2 ! GLU CYS 1
assign (resid 11  and name  HN ) (resid 10  and name  HN ) 2.8 0.3 0.3 ! CYS GLU 1
assign (resid 11  and name  HN ) (resid 10  and name  HG# ) 4.9 1.2 1.2 ! CYS GLU 1
assign (resid 11  and name  HA ) (resid 10  and name  HB# ) 4.9 1.2 1.2 ! CYS GLU 1
assign (resid 11  and name  HA ) (resid 10  and name  HG# ) 4.9 1.2 1.2 ! CYS GLU 1
assign (resid 11  and name  HN ) (resid 10  and name  HA ) 3.6 0.5 0.5 ! CYS GLU 1
assign (resid 11  and name  HN ) (resid 10  and name  HB# ) 3.3 1.2 1.2 ! CYS GLU 1
assign (resid 11  and name  HN ) (resid 12  and name  HB ) 5.4 1 1 ! CYS VAL 1
assign (resid 11  and name  HN ) (resid 12  and name  HA ) 5.4 1 1 ! CYS VAL 1
assign (resid 11  and name  HN ) (resid 12  and name  HG2# ) 4.8 1.3 1.3 ! CYS VAL 1
assign (resid 11  and name  HN ) (resid 12  and name  HG1# ) 5.2 1.3 1.3 ! CYS VAL 1
assign (resid 11  and name  HA ) (resid 12  and name  HB ) 5.4 1 1 ! CYS VAL 1
assign (resid 11  and name  HA ) (resid 12  and name  HA ) 5.4 1 1 ! CYS VAL 1
assign (resid 12  and name  HN ) (resid 11  and name  HN ) 2.6 0.3 0.3 ! VAL CYS 1
assign (resid 12  and name  HN ) (resid 11  and name  HA ) 3.6 0.5 0.5 ! VAL CYS 1
assign (resid 12  and name  HN ) (resid 11  and name  HB# ) 3.3 1.2 1.2 ! VAL CYS 1
assign (resid 12  and name  HN ) (resid 13  and name  HB# ) 4.9 1.2 1.2 ! VAL TYR 1
assign (resid 12  and name  HB ) (resid 13  and name  HB# ) 4.9 1.2 1.2 ! VAL TYR 1
assign (resid 13  and name  CG ) (resid 12  and name  HA ) 6.1 2.1 2.1 ! TYR VAL 1
assign (resid 13  and name  CZ ) (resid 12  and name  HG2# ) 5.9 3.1 3.1 ! TYR VAL 1
assign (resid 13  and name  HN ) (resid 12  and name  HN ) 2.8 0.3 0.3 ! TYR VAL 1
assign (resid 13  and name  CZ ) (resid 12  and name  HG1# ) 5.9 3.1 3.1 ! TYR VAL 1
assign (resid 13  and name  CG ) (resid 12  and name  HG2# ) 4.7 3.1 3.1 ! TYR VAL 1
assign (resid 13  and name  HN ) (resid 12  and name  HB ) 3.2 0.3 0.3 ! TYR VAL 1
assign (resid 13  and name  HN ) (resid 12  and name  HG1# ) 4 1.3 1.3 ! TYR VAL 1
assign (resid 13  and name  CG ) (resid 12  and name  HG1# ) 4.7 3.1 3.1 ! TYR VAL 1
assign (resid 13  and name  HN ) (resid 12  and name  HG2# ) 4 1.3 1.3 ! TYR VAL 1
assign (resid 13  and name  HN ) (resid 12  and name  HA ) 4.2 0.7 0.7 ! TYR VAL 1
assign (resid 13  and name  CZ ) (resid 12  and name  HA ) 6.1 2.1 2.1 ! TYR VAL 1
assign (resid 13  and name  CG ) (resid 14  and name  HB# ) 4.4 3 3 ! TYR PHE 1
assign (resid 13  and name  CZ ) (resid 14  and name  CZ ) 5.2 4.2 4.2 ! TYR PHE 1
assign (resid 13  and name  CG ) (resid 14  and name  CG ) 5.2 4.2 4.2 ! TYR PHE 1
assign (resid 13  and name  CZ ) (resid 14  and name  HN ) 5.5 2.1 2.1 ! TYR PHE 1
assign (resid 13  and name  CG ) (resid 14  and name  HN ) 4.1 2.1 2.1 ! TYR PHE 1
assign (resid 13  and name  CG ) (resid 14  and name  HA ) 3.9 2.1 2.1 ! TYR PHE 1
assign (resid 14  and name  CZ ) (resid 13  and name  HA ) 4.9 2.1 2.1 ! PHE TYR 1
assign (resid 14  and name  CG ) (resid 13  and name  HA ) 3.9 2.1 2.1 ! PHE TYR 1
assign (resid 14  and name  HN ) (resid 13  and name  HB# ) 2.9 1.2 1.2 ! PHE TYR 1
assign (resid 14  and name  HN ) (resid 13  and name  HN ) 2.8 0.3 0.3 ! PHE TYR 1
assign (resid 14  and name  HN ) (resid 13  and name  HA ) 3.2 0.3 0.3 ! PHE TYR 1
assign (resid 14  and name  CG ) (resid 15  and name  HN ) 4.9 2.1 2.1 ! PHE CYS 1
assign (resid 14  and name  CG ) (resid 15  and name  HA ) 4.9 2.1 2.1 ! PHE CYS 1
assign (resid 15  and name  HN ) (resid 14  and name  HA ) 3.8 0.5 0.5 ! CYS PHE 1
assign (resid 15  and name  HN ) (resid 14  and name  HN ) 3 0.3 0.3 ! CYS PHE 1
assign (resid 15  and name  HN ) (resid 14  and name  HB# ) 3.3 1.2 1.2 ! CYS PHE 1
assign (resid 15  and name  HN ) (resid 16  and name  HA ) 5 1 1 ! CYS HIS 1
assign (resid 16  and name  HN ) (resid 15  and name  HA ) 3.6 0.5 0.5 ! HIS CYS 1
assign (resid 16  and name  HN ) (resid 15  and name  HN ) 3 0.3 0.3 ! HIS CYS 1
assign (resid 16  and name  HN ) (resid 15  and name  HB2 ) 4.2 0.7 0.7 ! HIS CYS 1
assign (resid 17  and name  HN ) (resid 16  and name  HB# ) 3.7 1.2 1.2 ! LEU HIS 1
assign (resid 17  and name  HN ) (resid 16  and name  HA ) 3.2 0.3 0.3 ! LEU HIS 1
assign (resid 18  and name  HN ) (resid 17  and name  HB1 ) 4.4 0.7 0.7 ! ASP LEU 1
assign (resid 18  and name  HN ) (resid 17  and name  HN ) 4.2 0.7 0.7 ! ASP LEU 1
assign (resid 18  and name  HN ) (resid 17  and name  HB2 ) 3.8 0.5 0.5 ! ASP LEU 1
assign (resid 18  and name  HN ) (resid 17  and name  HD* ) 4.6 1.8 1.8 ! ASP LEU 1
assign (resid 18  and name  HN ) (resid 17  and name  HA ) 2.6 0.3 0.3 ! ASP LEU 1
assign (resid 18  and name  HN ) (resid 19  and name  HG2# ) 5.8 1.3 1.3 ! ASP ILE 1
assign (resid 18  and name  HN ) (resid 19  and name  HG1# ) 5.2 1.3 1.3 ! ASP ILE 1
assign (resid 19  and name  HA ) (resid 18  and name  HA ) 5.4 1 1 ! ILE ASP 1
assign (resid 19  and name  HN ) (resid 18  and name  HB1 ) 4.8 1 1 ! ILE ASP 1
assign (resid 19  and name  HN ) (resid 18  and name  HB2 ) 4.8 1 1 ! ILE ASP 1
assign (resid 19  and name  HN ) (resid 18  and name  HN ) 3.6 0.5 0.5 ! ILE ASP 1
assign (resid 19  and name  HN ) (resid 18  and name  HA ) 2.8 0.3 0.3 ! ILE ASP 1
assign (resid 19  and name  HA ) (resid 20  and name  HB ) 5.4 1 1 ! ILE ILE 1
assign (resid 20  and name  HN ) (resid 19  and name  HA ) 2.4 0.3 0.3 ! ILE ILE 1
assign (resid 20  and name  HN ) (resid 19  and name  HN ) 4.8 1 1 ! ILE ILE 1
assign (resid 20  and name  HA ) (resid 19  and name  HG1# ) 5.2 1.3 1.3 ! ILE ILE 1
assign (resid 20  and name  HN ) (resid 19  and name  HG1# ) 3.4 1.3 1.3 ! ILE ILE 1
assign (resid 20  and name  HN ) (resid 19  and name  HB ) 4.2 0.7 0.7 ! ILE ILE 1
assign (resid 20  and name  HN ) (resid 19  and name  HG12 ) 5.4 1 1 ! ILE ILE 1
assign (resid 20  and name  HN ) (resid 19  and name  HD1# ) 4.6 1.3 1.3 ! ILE ILE 1
assign (resid 20  and name  HA ) (resid 21  and name  HB1 ) 5.4 1 1 ! ILE TRP 1
assign (resid 20  and name  HA ) (resid 21  and name  HB2 ) 5.4 1 1 ! ILE TRP 1
assign (resid 21  and name  HN ) (resid 20  and name  HA ) 2.4 0.3 0.3 ! TRP ILE 1
assign (resid 21  and name  HN ) (resid 20  and name  HG1# ) 4 1.3 1.3 ! TRP ILE 1
assign (resid 21  and name  HN ) (resid 20  and name  HN ) 4.8 1 1 ! TRP ILE 1
assign (resid 21  and name  HE3 ) (resid 20  and name  HG1# ) 4.6 1.3 1.3 ! TRP ILE 1
assign (resid 21  and name  HN ) (resid 20  and name  HG12 ) 4.8 1 1 ! TRP ILE 1
assign (resid 21  and name  HN ) (resid 20  and name  HG11 ) 5.4 1 1 ! TRP ILE 1
assign (resid 21  and name  HN ) (resid 20  and name  HD1# ) 4 1.3 1.3 ! TRP ILE 1
assign (resid 21  and name  HN ) (resid 20  and name  HB ) 4.2 0.7 0.7 ! TRP ILE 1
assign (resid 21  and name  HH2 ) (resid 20  and name  HG1# ) 5.2 1.3 1.3 ! TRP ILE 1
assign (resid 21  and name  HZ3 ) (resid 20  and name  HG1# ) 5.2 1.3 1.3 ! TRP ILE 1
assign (resid 4  and name  HN ) (resid 6  and name  HD1# ) 5.2 1.3 1.3 ! SER LEU 2
assign (resid 5  and name  HN ) (resid 3  and name  HB1 ) 4.8 1 1 ! SER CYS 2
assign (resid 5  and name  HN ) (resid 3  and name  HB2 ) 4.2 0.7 0.7 ! SER CYS 2
assign (resid 5  and name  HN ) (resid 3  and name  HA ) 4.8 1 1 ! SER CYS 2
assign (resid 6  and name  HN ) (resid 8  and name  HN ) 4.8 1 1 ! LEU ASP 2
assign (resid 7  and name  HN ) (resid 5  and name  HB2 ) 4.8 1 1 ! MET SER 2
assign (resid 7  and name  HN ) (resid 5  and name  HB1 ) 4.8 1 1 ! MET SER 2
assign (resid 7  and name  HN ) (resid 5  and name  HA ) 4.8 1 1 ! MET SER 2
assign (resid 8  and name  HN ) (resid 6  and name  HA ) 4.8 1 1 ! ASP LEU 2
assign (resid 10  and name  HN ) (resid 8  and name  HA ) 4.8 1 1 ! GLU ASP 2
assign (resid 10  and name  HN ) (resid 12  and name  HN ) 4.8 1 1 ! GLU VAL 2
assign (resid 10  and name  HN ) (resid 12  and name  HG2# ) 5.8 1.3 1.3 ! GLU VAL 2
assign (resid 10  and name  HN ) (resid 12  and name  HG1# ) 5.8 1.3 1.3 ! GLU VAL 2
assign (resid 10  and name  HA ) (resid 12  and name  HG2# ) 5.2 1.3 1.3 ! GLU VAL 2
assign (resid 12  and name  HN ) (resid 10  and name  HG# ) 5.5 1.2 1.2 ! VAL GLU 2
assign (resid 13  and name  HN ) (resid 11  and name  HN ) 4.8 1 1 ! TYR CYS 2
assign (resid 13  and name  HN ) (resid 15  and name  HN ) 4.8 1 1 ! TYR CYS 2
assign (resid 14  and name  CZ ) (resid 12  and name  HA ) 6.1 2.1 2.1 ! PHE VAL 2
assign (resid 15  and name  HN ) (resid 13  and name  HA ) 4.2 0.7 0.7 ! CYS TYR 2
assign (resid 15  and name  HN ) (resid 17  and name  HG ) 4.8 1 1 ! CYS LEU 2
assign (resid 15  and name  HN ) (resid 17  and name  HD* ) 5.8 1.8 1.8 ! CYS LEU 2
assign (resid 15  and name  HB2 ) (resid 17  and name  HD* ) 4.6 1.8 1.8 ! CYS LEU 2
assign (resid 15  and name  HB2 ) (resid 17  and name  HG ) 4.2 0.7 0.7 ! CYS LEU 2
assign (resid 15  and name  HN ) (resid 17  and name  HN ) 4.8 1 1 ! CYS LEU 2
assign (resid 15  and name  HB1 ) (resid 17  and name  HD* ) 4.6 1.8 1.8 ! CYS LEU 2
assign (resid 15  and name  HB1 ) (resid 17  and name  HG ) 4.2 0.7 0.7 ! CYS LEU 2
assign (resid 16  and name  HN ) (resid 14  and name  HB# ) 4.9 1.2 1.2 ! HIS PHE 2
assign (resid 17  and name  HN ) (resid 15  and name  HA ) 4.8 1 1 ! LEU CYS 2
assign (resid 18  and name  HN ) (resid 16  and name  HA ) 5 1 1 ! ASP HIS 2
assign (resid 19  and name  HN ) (resid 17  and name  HB2 ) 5.4 1 1 ! ILE LEU 2
assign (resid 19  and name  HN ) (resid 17  and name  HA ) 4.8 1 1 ! ILE LEU 2
assign (resid 21  and name  HN ) (resid 19  and name  HD1# ) 5.2 1.3 1.3 ! TRP ILE 2
assign (resid 21  and name  HD1 ) (resid 19  and name  HD1# ) 5.8 1.3 1.3 ! TRP ILE 2
assign (resid 21  and name  HE1 ) (resid 19  and name  HG1# ) 5.8 1.3 1.3 ! TRP ILE 2
assign (resid 21  and name  HE3 ) (resid 19  and name  HD1# ) 5.8 1.3 1.3 ! TRP ILE 2
assign (resid 21  and name  HN ) (resid 19  and name  HG1# ) 4.6 1.3 1.3 ! TRP ILE 2
assign (resid 21  and name  HZ2 ) (resid 19  and name  HG1# ) 5.2 1.3 1.3 ! TRP ILE 2
assign (resid 21  and name  HZ2 ) (resid 19  and name  HD1# ) 5.2 1.3 1.3 ! TRP ILE 2
assign (resid 21  and name  HD1 ) (resid 19  and name  HG1# ) 5.2 1.3 1.3 ! TRP ILE 2
assign (resid 21  and name  HE3 ) (resid 19  and name  HG1# ) 5.2 1.3 1.3 ! TRP ILE 2
assign (resid 5  and name  HB1 ) (resid 8  and name  HB1 ) 5.4 1 1 ! SER ASP 3
assign (resid 5  and name  HB1 ) (resid 8  and name  HB2 ) 4.8 1 1 ! SER ASP 3
assign (resid 8  and name  HN ) (resid 5  and name  HA ) 5.4 1 1 ! ASP SER 3
assign (resid 8  and name  HN ) (resid 5  and name  HB1 ) 4.8 1 1 ! ASP SER 3
assign (resid 9  and name  HN ) (resid 12  and name  HG1# ) 5.2 1.3 1.3 ! LYS VAL 3
assign (resid 9  and name  HN ) (resid 12  and name  HB ) 4.8 1 1 ! LYS VAL 3
assign (resid 9  and name  HA ) (resid 12  and name  HB ) 3.2 0.3 0.3 ! LYS VAL 3
assign (resid 9  and name  HA ) (resid 12  and name  HG2# ) 4 1.3 1.3 ! LYS VAL 3
assign (resid 9  and name  HN ) (resid 12  and name  HA ) 5 1 1 ! LYS VAL 3
assign (resid 9  and name  HN ) (resid 12  and name  HG2# ) 5.2 1.3 1.3 ! LYS VAL 3
assign (resid 9  and name  HA ) (resid 12  and name  HG1# ) 5.2 1.3 1.3 ! LYS VAL 3
assign (resid 10  and name  HB# ) (resid 13  and name  HB# ) 5 1.8 1.8 ! GLU TYR 3
assign (resid 10  and name  HG# ) (resid 13  and name  HB# ) 5 1.8 1.8 ! GLU TYR 3
assign (resid 10  and name  HA ) (resid 13  and name  HB# ) 3.7 1.2 1.2 ! GLU TYR 3
assign (resid 12  and name  HN ) (resid 9  and name  HA ) 3.6 0.5 0.5 ! VAL LYS 3
assign (resid 12  and name  HA ) (resid 15  and name  HB1 ) 4.2 0.7 0.7 ! VAL CYS 3
assign (resid 12  and name  HA ) (resid 15  and name  HB2 ) 4.2 0.7 0.7 ! VAL CYS 3
assign (resid 13  and name  HN ) (resid 10  and name  HA ) 3.6 0.5 0.5 ! TYR GLU 3
assign (resid 14  and name  CG ) (resid 17  and name  HD* ) 4.5 3.9 3.9 ! PHE LEU 3
assign (resid 15  and name  HN ) (resid 12  and name  HG2# ) 4.8 1.3 1.3 ! CYS VAL 3
assign (resid 15  and name  HN ) (resid 12  and name  HG1# ) 5.4 1.3 1.3 ! CYS VAL 3
assign (resid 15  and name  HN ) (resid 12  and name  HA ) 4.2 0.7 0.7 ! CYS VAL 3
assign (resid 16  and name  HN ) (resid 13  and name  HA ) 4.8 1 1 ! HIS TYR 3
assign (resid 16  and name  HA ) (resid 19  and name  HG2# ) 5.8 1.3 1.3 ! HIS ILE 3
assign (resid 2  and name  HA ) (resid 6  and name  HD1# ) 5.2 1.3 1.3 ! SER LEU 4
assign (resid 2  and name  HB# ) (resid 6  and name  HD1# ) 5.9 1.9 1.9 ! SER LEU 4
assign (resid 2  and name  HN ) (resid 6  and name  HD1# ) 5.2 1.3 1.3 ! SER LEU 4
assign (resid 13  and name  HN ) (resid 9  and name  HA ) 4.8 1 1 ! TYR LYS 4
assign (resid 13  and name  CZ ) (resid 17  and name  HG ) 6.1 2.1 2.1 ! TYR LEU 4
assign (resid 13  and name  CG ) (resid 17  and name  HG ) 5.5 2.1 2.1 ! TYR LEU 4
assign (resid 13  and name  CG ) (resid 17  and name  HD* ) 5.5 3.9 3.9 ! TYR LEU 4
assign (resid 14  and name  CZ ) (resid 10  and name  HB# ) 6.2 3 3 ! PHE GLU 4
assign (resid 14  and name  CG ) (resid 10  and name  HB# ) 6.2 3 3 ! PHE GLU 4
assign (resid 14  and name  CG ) (resid 10  and name  HG# ) 5.6 3 3 ! PHE GLU 4
assign (resid 14  and name  CZ ) (resid 10  and name  HG# ) 5.6 3 3 ! PHE GLU 4
assign (resid 7  and name  HN ) (resid 12  and name  HG2# ) 5.8 1.3 1.3 ! MET VAL 5
assign (resid 12  and name  HA ) (resid 17  and name  HB1 ) 4.8 1 1 ! VAL LEU 5
assign (resid 12  and name  HA ) (resid 17  and name  HB2 ) 4.8 1 1 ! VAL LEU 5
assign (resid 12  and name  HA ) (resid 17  and name  HD* ) 5.8 1.8 1.8 ! VAL LEU 5
assign (resid 14  and name  CZ ) (resid 19  and name  HG1# ) 5.9 3.1 3.1 ! PHE ILE 5
assign (resid 14  and name  CZ ) (resid 19  and name  HD1# ) 5.3 3.1 3.1 ! PHE ILE 5
assign (resid 14  and name  CG ) (resid 19  and name  HG1# ) 5.9 3.1 3.1 ! PHE ILE 5
assign (resid 14  and name  CG ) (resid 19  and name  HD1# ) 5.3 3.1 3.1 ! PHE ILE 5
assign (resid 17  and name  HN ) (resid 12  and name  HA ) 4.8 1 1 ! LEU VAL 5
assign (resid 13  and name  CZ ) (resid 19  and name  HG1# ) 5.9 3.1 3.1 ! TYR ILE 6
assign (resid 13  and name  CZ ) (resid 19  and name  HD1# ) 5.9 3.1 3.1 ! TYR ILE 6
assign (resid 13  and name  CG ) (resid 19  and name  HD1# ) 5.9 3.1 3.1 ! TYR ILE 6
assign (resid 3  and name  HB2 ) (resid 11  and name  HA ) 3.6 0.5 0.5 ! CYS CYS 8
assign (resid 3  and name  HB1 ) (resid 11  and name  HA ) 5.4 1 1 ! CYS CYS 8
assign (resid 3  and name  HB1 ) (resid 12  and name  HG2# ) 5.2 1.3 1.3 ! CYS VAL 9
assign (resid 3  and name  HB2 ) (resid 12  and name  HG2# ) 4.6 1.3 1.3 ! CYS VAL 9

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1           HT1      CYS   1   7.053  -4.154  -3.262
    2   2H    CYS   1           HT2      CYS   1   8.455  -3.246  -3.572
    3   3H    CYS   1           HT3      CYS   1   7.527  -3.851  -4.862
    4    HA   CYS   1           HA       CYS   1   5.868  -2.305  -3.197
    5   1HB   CYS   1          HB2       CYS   1   7.819  -1.105  -2.456
    6   2HB   CYS   1          HB1       CYS   1   8.471  -1.042  -4.091
    7    H    SER   2           HN       SER   2   4.281  -2.488  -4.725
    8    HA   SER   2           HA       SER   2   4.397  -0.962  -7.138
    9   1HB   SER   2          HB2       SER   2   4.165  -3.115  -8.637
   10   2HB   SER   2          HB1       SER   2   5.764  -2.515  -8.209
   11    HG   SER   2           HG       SER   2   4.896  -4.888  -7.784
   12    H    CYS   3           HN       CYS   3   2.315  -0.293  -6.587
   13    HA   CYS   3           HA       CYS   3   0.225  -2.433  -6.589
   14   1HB   CYS   3          HB2       CYS   3   0.171  -1.470  -4.414
   15   2HB   CYS   3          HB1       CYS   3   0.407   0.160  -5.041
   16    H    SER   4           HN       SER   4  -1.889  -1.684  -7.538
   17    HA   SER   4           HA       SER   4  -1.614  -0.601 -10.116
   18   1HB   SER   4          HB2       SER   4  -3.650  -1.708  -9.733
   19   2HB   SER   4          HB1       SER   4  -3.947  -0.837  -8.232
   20    HG   SER   4           HG       SER   4  -4.621  -0.196 -10.778
   21    H    SER   5           HN       SER   5  -2.910   1.086  -7.251
   22    HA   SER   5           HA       SER   5  -1.884   3.619  -8.453
   23   1HB   SER   5          HB2       SER   5  -3.983   4.443  -8.442
   24   2HB   SER   5          HB1       SER   5  -4.584   2.913  -7.817
   25    HG   SER   5           HG       SER   5  -5.041   4.662  -6.412
   26    H    LEU   6           HN       LEU   6  -0.284   4.418  -7.137
   27    HA   LEU   6           HA       LEU   6   0.353   3.379  -4.584
   28   1HB   LEU   6          HB2       LEU   6   1.207   5.745  -6.168
   29   2HB   LEU   6          HB1       LEU   6   1.513   5.808  -4.432
   30    HG   LEU   6           HG       LEU   6   2.528   3.500  -4.623
   31   1HD1  LEU   6          HD11      LEU   6   2.895   3.982  -7.542
   32   2HD1  LEU   6          HD12      LEU   6   1.337   3.343  -7.016
   33   3HD1  LEU   6          HD13      LEU   6   2.820   2.460  -6.655
   34   1HD2  LEU   6          HD21      LEU   6   4.593   4.437  -5.931
   35   2HD2  LEU   6          HD22      LEU   6   4.110   5.226  -4.430
   36   3HD2  LEU   6          HD23      LEU   6   3.664   5.936  -5.981
   37    H    MET   7           HN       MET   7  -2.153   5.655  -5.366
   38    HA   MET   7           HA       MET   7  -2.158   6.855  -2.686
   39   1HB   MET   7          HB2       MET   7  -2.831   8.315  -4.459
   40   2HB   MET   7          HB1       MET   7  -3.984   7.137  -5.084
   41   1HG   MET   7          HG2       MET   7  -5.563   7.655  -3.517
   42   2HG   MET   7          HG1       MET   7  -4.366   7.913  -2.249
   43   1HE   MET   7          HE1       MET   7  -2.459   9.412  -2.933
   44   2HE   MET   7          HE2       MET   7  -3.095  10.773  -2.014
   45   3HE   MET   7          HE3       MET   7  -2.604  11.004  -3.690
   46    H    ASP   8           HN       ASP   8  -3.260   3.941  -3.955
   47    HA   ASP   8           HA       ASP   8  -5.825   3.579  -2.869
   48   1HB   ASP   8          HB2       ASP   8  -4.222   1.925  -4.188
   49   2HB   ASP   8          HB1       ASP   8  -3.809   1.379  -2.563
   50    H    LYS   9           HN       LYS   9  -5.933   1.781  -0.891
   51    HA   LYS   9           HA       LYS   9  -4.648   3.193   1.408
   52   1HB   LYS   9          HB2       LYS   9  -7.127   1.442   1.479
   53   2HB   LYS   9          HB1       LYS   9  -6.511   2.460   2.779
   54   1HG   LYS   9          HG2       LYS   9  -7.375   3.555   0.084
   55   2HG   LYS   9          HG1       LYS   9  -8.447   3.462   1.481
   56   1HD   LYS   9          HD2       LYS   9  -7.626   5.591   1.794
   57   2HD   LYS   9          HD1       LYS   9  -6.398   4.683   2.676
   58   1HE   LYS   9          HE2       LYS   9  -4.792   5.033   1.077
   59   2HE   LYS   9          HE1       LYS   9  -5.958   5.008  -0.247
   60   1HZ   LYS   9          HZ1       LYS   9  -6.401   7.200  -0.028
   61   2HZ   LYS   9          HZ2       LYS   9  -4.818   7.226   0.590
   62   3HZ   LYS   9          HZ3       LYS   9  -6.147   7.214   1.648
   63    H    GLU  10           HN       GLU  10  -6.035  -0.133   1.158
   64    HA   GLU  10           HA       GLU  10  -3.838  -1.168   2.737
   65   1HB   GLU  10          HB2       GLU  10  -5.582  -2.968   1.098
   66   2HB   GLU  10          HB1       GLU  10  -4.996  -3.180   2.748
   67   1HG   GLU  10          HG2       GLU  10  -6.475  -1.148   3.331
   68   2HG   GLU  10          HG1       GLU  10  -7.248  -1.433   1.771
   69    H    CYS  11           HN       CYS  11  -4.610  -1.001  -0.687
   70    HA   CYS  11           HA       CYS  11  -2.575  -2.825  -1.591
   71   1HB   CYS  11          HB2       CYS  11  -4.535  -1.908  -2.954
   72   2HB   CYS  11          HB1       CYS  11  -3.617  -0.408  -3.090
   73    H    VAL  12           HN       VAL  12  -2.568   0.310  -0.273
   74    HA   VAL  12           HA       VAL  12  -0.035   1.176  -1.417
   75    HB   VAL  12           HB       VAL  12  -1.989   2.223   0.609
   76   1HG1  VAL  12          HG11      VAL  12  -0.095   4.203   0.377
   77   2HG1  VAL  12          HG12      VAL  12   0.885   2.745   0.539
   78   3HG1  VAL  12          HG13      VAL  12  -0.305   3.150   1.776
   79   1HG2  VAL  12          HG21      VAL  12  -0.785   3.188  -1.986
   80   2HG2  VAL  12          HG22      VAL  12  -1.835   4.179  -0.973
   81   3HG2  VAL  12          HG23      VAL  12  -2.452   2.693  -1.696
   82    H    TYR  13           HN       TYR  13  -1.138  -0.317   1.602
   83    HA   TYR  13           HA       TYR  13   1.261   0.002   3.098
   84   1HB   TYR  13          HB2       TYR  13  -0.798  -2.223   3.193
   85   2HB   TYR  13          HB1       TYR  13   0.413  -1.907   4.435
   86    HD1  TYR  13           HD1      TYR  13  -2.816  -1.735   4.367
   87    HD2  TYR  13           HD2      TYR  13   0.412   1.098   4.348
   88    HE1  TYR  13           HE1      TYR  13  -4.303  -0.031   5.387
   89    HE2  TYR  13           HE2      TYR  13  -1.073   2.801   5.368
   90    HH   TYR  13           HH       TYR  13  -3.405   2.492   6.948
   91    H    PHE  14           HN       PHE  14   0.424  -2.116   0.480
   92    HA   PHE  14           HA       PHE  14   2.378  -4.147   0.996
   93   1HB   PHE  14          HB2       PHE  14   1.287  -3.299  -1.699
   94   2HB   PHE  14          HB1       PHE  14   1.962  -4.873  -1.272
   95    HD1  PHE  14           HD1      PHE  14  -0.850  -4.388  -2.395
   96    HD2  PHE  14           HD2      PHE  14   0.641  -4.677   1.624
   97    HE1  PHE  14           HE1      PHE  14  -3.083  -5.137  -1.617
   98    HE2  PHE  14           HE2      PHE  14  -1.591  -5.424   2.400
   99    HZ   PHE  14           HZ       PHE  14  -3.452  -5.654   0.781
  100    H    CYS  15           HN       CYS  15   2.606  -0.957  -0.482
  101    HA   CYS  15           HA       CYS  15   5.255  -1.526  -1.620
  102   1HB   CYS  15          HB2       CYS  15   3.293   0.609  -1.783
  103   2HB   CYS  15          HB1       CYS  15   4.913   1.246  -1.546
  104    H    HIS  16           HN       HIS  16   4.697  -1.687   1.404
  105    HA   HIS  16           HA       HIS  16   6.123  -1.363   3.256
  106   1HB   HIS  16          HB2       HIS  16   7.764   0.588   1.658
  107   2HB   HIS  16          HB1       HIS  16   8.278  -0.499   2.948
  108    HD1  HIS  16           HD1      HIS  16   7.181  -3.165   1.978
  109    HD2  HIS  16           HD2      HIS  16   9.072  -0.451  -0.559
  110    HE1  HIS  16           HE1      HIS  16   8.015  -4.501  -0.006
  111    H    LEU  17           HN       LEU  17   3.748   0.178   2.895
  112    HA   LEU  17           HA       LEU  17   4.567   2.886   3.822
  113   1HB   LEU  17          HB2       LEU  17   2.092   1.803   2.496
  114   2HB   LEU  17          HB1       LEU  17   2.080   3.331   3.343
  115    HG   LEU  17           HG       LEU  17   4.277   3.736   1.877
  116   1HD1  LEU  17          HD11      LEU  17   2.705   2.380  -0.229
  117   2HD1  LEU  17          HD12      LEU  17   3.522   1.301   0.901
  118   3HD1  LEU  17          HD13      LEU  17   4.453   2.481  -0.018
  119   1HD2  LEU  17          HD21      LEU  17   2.940   5.371   1.093
  120   2HD2  LEU  17          HD22      LEU  17   1.554   4.526   1.782
  121   3HD2  LEU  17          HD23      LEU  17   2.044   4.204   0.119
  122    H    ASP  18           HN       ASP  18   4.947   1.376   5.877
  123    HA   ASP  18           HA       ASP  18   4.185   0.588   7.977
  124   1HB   ASP  18          HB2       ASP  18   4.314   2.931   8.445
  125   2HB   ASP  18          HB1       ASP  18   2.815   3.254   7.574
  126    H    ILE  19           HN       ILE  19   2.934  -1.195   6.780
  127    HA   ILE  19           HA       ILE  19   0.183  -0.984   6.162
  128    HB   ILE  19           HB       ILE  19   0.164  -3.327   6.069
  129   1HG1  ILE  19          HG12      ILE  19   2.372  -3.385   8.150
  130   2HG1  ILE  19          HG11      ILE  19   0.664  -3.650   8.496
  131   1HG2  ILE  19          HG21      ILE  19   2.250  -2.053   4.953
  132   2HG2  ILE  19          HG22      ILE  19   2.015  -3.795   4.804
  133   3HG2  ILE  19          HG23      ILE  19   3.130  -3.157   6.011
  134   1HD1  ILE  19          HD11      ILE  19   2.626  -5.475   7.317
  135   2HD1  ILE  19          HD12      ILE  19   1.126  -5.378   6.395
  136   3HD1  ILE  19          HD13      ILE  19   1.087  -5.831   8.099
  137    H    ILE  20           HN       ILE  20  -1.584  -0.679   7.465
  138    HA   ILE  20           HA       ILE  20  -1.179  -1.173  10.396
  139    HB   ILE  20           HB       ILE  20  -2.861   0.882   8.942
  140   1HG1  ILE  20          HG12      ILE  20  -0.584   1.588   9.284
  141   2HG1  ILE  20          HG11      ILE  20  -1.562   2.391  10.510
  142   1HG2  ILE  20          HG21      ILE  20  -3.194   1.407  11.609
  143   2HG2  ILE  20          HG22      ILE  20  -3.209  -0.356  11.602
  144   3HG2  ILE  20          HG23      ILE  20  -4.366   0.539  10.617
  145   1HD1  ILE  20          HD11      ILE  20   0.383   0.135  10.829
  146   2HD1  ILE  20          HD12      ILE  20  -0.976   0.258  11.948
  147   3HD1  ILE  20          HD13      ILE  20   0.181   1.582  11.816
  148    H    TRP  21           HN       TRP  21  -1.839  -3.413   9.926
  149    HA   TRP  21           HA       TRP  21  -4.334  -4.145   8.814
  150   1HB   TRP  21          HB2       TRP  21  -4.104  -6.073  10.677
  151   2HB   TRP  21          HB1       TRP  21  -3.162  -6.068   9.193
  152    HD1  TRP  21           HD1      TRP  21  -1.167  -7.357  10.288
  153    HE1  TRP  21           HE1      TRP  21   0.700  -6.648  11.914
  154    HE3  TRP  21           HE3      TRP  21  -3.087  -2.937  11.990
  155    HZ2  TRP  21           HZ2      TRP  21   1.300  -4.507  13.698
  156    HZ3  TRP  21           HZ3      TRP  21  -1.850  -1.590  13.657
  157    HH2  TRP  21           HH2      TRP  21   0.342  -2.367  14.513
  Start of MODEL    2
    1   1H    CYS   1           HT1      CYS   1   7.744  -3.816  -3.836
    2   2H    CYS   1           HT2      CYS   1   6.315  -4.075  -4.718
    3   3H    CYS   1           HT3      CYS   1   6.281  -4.076  -3.019
    4    HA   CYS   1           HA       CYS   1   5.743  -1.940  -3.091
    5   1HB   CYS   1          HB2       CYS   1   8.419  -2.039  -3.009
    6   2HB   CYS   1          HB1       CYS   1   8.238  -1.204  -4.552
    7    H    SER   2           HN       SER   2   4.094  -2.497  -4.783
    8    HA   SER   2           HA       SER   2   4.092  -0.598  -6.902
    9   1HB   SER   2          HB2       SER   2   4.093  -2.644  -8.681
   10   2HB   SER   2          HB1       SER   2   5.526  -1.692  -8.307
   11    HG   SER   2           HG       SER   2   6.099  -3.795  -8.014
   12    H    CYS   3           HN       CYS   3   1.936  -0.259  -6.388
   13    HA   CYS   3           HA       CYS   3   0.111  -2.606  -6.711
   14   1HB   CYS   3          HB2       CYS   3  -0.140  -1.794  -4.482
   15   2HB   CYS   3          HB1       CYS   3  -0.116  -0.112  -5.007
   16    H    SER   4           HN       SER   4  -2.025  -2.043  -7.729
   17    HA   SER   4           HA       SER   4  -1.850  -0.884 -10.230
   18   1HB   SER   4          HB2       SER   4  -3.878  -1.984  -9.829
   19   2HB   SER   4          HB1       SER   4  -4.142  -1.144  -8.305
   20    HG   SER   4           HG       SER   4  -3.992   0.358 -10.660
   21    H    SER   5           HN       SER   5  -3.123   0.822  -7.363
   22    HA   SER   5           HA       SER   5  -2.180   3.355  -8.638
   23   1HB   SER   5          HB2       SER   5  -4.278   4.159  -8.453
   24   2HB   SER   5          HB1       SER   5  -4.808   2.614  -7.799
   25    HG   SER   5           HG       SER   5  -3.881   4.915  -6.444
   26    H    LEU   6           HN       LEU   6  -0.468   4.156  -7.465
   27    HA   LEU   6           HA       LEU   6   0.336   3.164  -4.929
   28   1HB   LEU   6          HB2       LEU   6   1.125   5.465  -6.642
   29   2HB   LEU   6          HB1       LEU   6   1.567   5.557  -4.938
   30    HG   LEU   6           HG       LEU   6   2.496   3.206  -5.163
   31   1HD1  LEU   6          HD11      LEU   6   1.154   2.949  -7.402
   32   2HD1  LEU   6          HD12      LEU   6   2.748   2.208  -7.260
   33   3HD1  LEU   6          HD13      LEU   6   2.560   3.736  -8.120
   34   1HD2  LEU   6          HD21      LEU   6   3.806   5.423  -5.298
   35   2HD2  LEU   6          HD22      LEU   6   3.836   5.160  -7.041
   36   3HD2  LEU   6          HD23      LEU   6   4.594   3.991  -5.959
   37    H    MET   7           HN       MET   7  -2.172   5.470  -5.601
   38    HA   MET   7           HA       MET   7  -1.947   6.757  -2.970
   39   1HB   MET   7          HB2       MET   7  -2.689   8.187  -4.740
   40   2HB   MET   7          HB1       MET   7  -3.918   7.031  -5.249
   41   1HG   MET   7          HG2       MET   7  -5.370   7.643  -3.592
   42   2HG   MET   7          HG1       MET   7  -4.079   7.914  -2.421
   43   1HE   MET   7          HE1       MET   7  -3.488  10.769  -1.775
   44   2HE   MET   7          HE2       MET   7  -2.498  11.087  -3.196
   45   3HE   MET   7          HE3       MET   7  -2.494   9.482  -2.471
   46    H    ASP   8           HN       ASP   8  -3.212   3.842  -4.053
   47    HA   ASP   8           HA       ASP   8  -5.719   3.597  -2.816
   48   1HB   ASP   8          HB2       ASP   8  -4.241   1.842  -4.140
   49   2HB   ASP   8          HB1       ASP   8  -3.736   1.364  -2.520
   50    H    LYS   9           HN       LYS   9  -5.794   1.921  -0.748
   51    HA   LYS   9           HA       LYS   9  -4.331   3.390   1.405
   52   1HB   LYS   9          HB2       LYS   9  -6.872   1.752   1.692
   53   2HB   LYS   9          HB1       LYS   9  -6.146   2.806   2.905
   54   1HG   LYS   9          HG2       LYS   9  -7.108   3.803   0.205
   55   2HG   LYS   9          HG1       LYS   9  -8.106   3.825   1.659
   56   1HD   LYS   9          HD2       LYS   9  -7.183   5.931   1.817
   57   2HD   LYS   9          HD1       LYS   9  -5.950   5.014   2.683
   58   1HE   LYS   9          HE2       LYS   9  -4.415   5.213   0.989
   59   2HE   LYS   9          HE1       LYS   9  -5.648   5.173  -0.271
   60   1HZ   LYS   9          HZ1       LYS   9  -6.031   7.395  -0.103
   61   2HZ   LYS   9          HZ2       LYS   9  -4.390   7.375   0.335
   62   3HZ   LYS   9          HZ3       LYS   9  -5.590   7.478   1.533
   63    H    GLU  10           HN       GLU  10  -5.857   0.118   1.391
   64    HA   GLU  10           HA       GLU  10  -3.639  -0.928   2.929
   65   1HB   GLU  10          HB2       GLU  10  -5.529  -2.729   1.461
   66   2HB   GLU  10          HB1       GLU  10  -4.873  -2.888   3.092
   67   1HG   GLU  10          HG2       GLU  10  -6.232  -0.771   3.645
   68   2HG   GLU  10          HG1       GLU  10  -7.088  -1.082   2.134
   69    H    CYS  11           HN       CYS  11  -4.543  -0.904  -0.467
   70    HA   CYS  11           HA       CYS  11  -2.625  -2.866  -1.336
   71   1HB   CYS  11          HB2       CYS  11  -4.626  -1.852  -2.645
   72   2HB   CYS  11          HB1       CYS  11  -3.536  -0.512  -2.993
   73    H    VAL  12           HN       VAL  12  -2.450   0.347  -0.233
   74    HA   VAL  12           HA       VAL  12   0.083   1.026  -1.506
   75    HB   VAL  12           HB       VAL  12  -1.754   2.296   0.513
   76   1HG1  VAL  12          HG11      VAL  12  -0.210   4.152   0.746
   77   2HG1  VAL  12          HG12      VAL  12   0.967   3.335  -0.284
   78   3HG1  VAL  12          HG13      VAL  12   0.563   2.666   1.298
   79   1HG2  VAL  12          HG21      VAL  12  -0.685   3.008  -2.221
   80   2HG2  VAL  12          HG22      VAL  12  -1.633   4.118  -1.231
   81   3HG2  VAL  12          HG23      VAL  12  -2.346   2.604  -1.789
   82    H    TYR  13           HN       TYR  13  -0.991  -0.178   1.655
   83    HA   TYR  13           HA       TYR  13   1.354   0.166   3.155
   84   1HB   TYR  13          HB2       TYR  13  -0.528  -2.212   3.186
   85   2HB   TYR  13          HB1       TYR  13   0.588  -1.768   4.475
   86    HD1  TYR  13           HD1      TYR  13  -2.406  -2.030   4.823
   87    HD2  TYR  13           HD2      TYR  13   0.058   1.336   3.795
   88    HE1  TYR  13           HE1      TYR  13  -4.110  -0.493   5.765
   89    HE2  TYR  13           HE2      TYR  13  -1.646   2.871   4.736
   90    HH   TYR  13           HH       TYR  13  -4.655   1.610   6.184
   91    H    PHE  14           HN       PHE  14   0.735  -1.998   0.506
   92    HA   PHE  14           HA       PHE  14   2.769  -3.925   1.080
   93   1HB   PHE  14          HB2       PHE  14   1.823  -3.089  -1.669
   94   2HB   PHE  14          HB1       PHE  14   2.484  -4.653  -1.190
   95    HD1  PHE  14           HD1      PHE  14  -0.161  -4.435  -2.546
   96    HD2  PHE  14           HD2      PHE  14   0.863  -4.245   1.623
   97    HE1  PHE  14           HE1      PHE  14  -2.435  -5.222  -1.947
   98    HE2  PHE  14           HE2      PHE  14  -1.410  -5.030   2.219
   99    HZ   PHE  14           HZ       PHE  14  -3.059  -5.520   0.435
  100    H    CYS  15           HN       CYS  15   2.892  -0.749  -0.452
  101    HA   CYS  15           HA       CYS  15   5.634  -1.149  -1.404
  102   1HB   CYS  15          HB2       CYS  15   3.550   0.668  -1.952
  103   2HB   CYS  15          HB1       CYS  15   4.851   1.627  -1.246
  104    H    HIS  16           HN       HIS  16   4.978  -1.343   1.584
  105    HA   HIS  16           HA       HIS  16   6.291  -0.889   3.490
  106   1HB   HIS  16          HB2       HIS  16   8.016  -0.274   1.468
  107   2HB   HIS  16          HB1       HIS  16   7.849   1.297   2.252
  108    HD1  HIS  16           HD1      HIS  16   7.871  -2.157   3.861
  109    HD2  HIS  16           HD2      HIS  16  10.082   1.376   3.898
  110    HE1  HIS  16           HE1      HIS  16   9.635  -2.434   5.658
  111    H    LEU  17           HN       LEU  17   3.794   0.426   2.970
  112    HA   LEU  17           HA       LEU  17   4.283   3.184   3.955
  113   1HB   LEU  17          HB2       LEU  17   1.900   1.876   2.634
  114   2HB   LEU  17          HB1       LEU  17   1.902   3.504   3.262
  115    HG   LEU  17           HG       LEU  17   2.395   3.739   0.943
  116   1HD1  LEU  17          HD11      LEU  17   5.188   3.698   2.022
  117   2HD1  LEU  17          HD12      LEU  17   4.012   4.783   2.765
  118   3HD1  LEU  17          HD13      LEU  17   4.384   4.927   1.047
  119   1HD2  LEU  17          HD21      LEU  17   3.507   1.145   1.280
  120   2HD2  LEU  17          HD22      LEU  17   4.799   2.182   0.677
  121   3HD2  LEU  17          HD23      LEU  17   3.291   2.036  -0.226
  122    H    ASP  18           HN       ASP  18   4.702   1.718   6.037
  123    HA   ASP  18           HA       ASP  18   3.912   0.839   8.084
  124   1HB   ASP  18          HB2       ASP  18   2.557   2.476   9.268
  125   2HB   ASP  18          HB1       ASP  18   3.761   3.319   8.295
  126    H    ILE  19           HN       ILE  19   2.898  -1.069   6.885
  127    HA   ILE  19           HA       ILE  19   0.148  -1.083   6.148
  128    HB   ILE  19           HB       ILE  19   0.371  -3.402   5.939
  129   1HG1  ILE  19          HG12      ILE  19   2.485  -3.369   8.117
  130   2HG1  ILE  19          HG11      ILE  19   0.793  -3.791   8.376
  131   1HG2  ILE  19          HG21      ILE  19   2.399  -1.882   5.012
  132   2HG2  ILE  19          HG22      ILE  19   2.294  -3.620   4.730
  133   3HG2  ILE  19          HG23      ILE  19   3.306  -2.997   6.033
  134   1HD1  ILE  19          HD11      ILE  19   2.764  -5.237   6.594
  135   2HD1  ILE  19          HD12      ILE  19   1.039  -5.595   6.656
  136   3HD1  ILE  19          HD13      ILE  19   2.041  -5.840   8.086
  137    H    ILE  20           HN       ILE  20  -1.667  -1.007   7.415
  138    HA   ILE  20           HA       ILE  20  -1.284  -1.593  10.331
  139    HB   ILE  20           HB       ILE  20  -3.106   0.379   8.935
  140   1HG1  ILE  20          HG12      ILE  20  -0.902   1.256   9.354
  141   2HG1  ILE  20          HG11      ILE  20  -1.967   1.918  10.593
  142   1HG2  ILE  20          HG21      ILE  20  -3.304  -0.921  11.613
  143   2HG2  ILE  20          HG22      ILE  20  -4.584  -0.317  10.562
  144   3HG2  ILE  20          HG23      ILE  20  -3.632   0.810  11.529
  145   1HD1  ILE  20          HD11      ILE  20   0.030  -0.329  10.870
  146   2HD1  ILE  20          HD12      ILE  20  -1.248  -0.059  12.055
  147   3HD1  ILE  20          HD13      ILE  20  -0.033   1.187  11.768
  148    H    TRP  21           HN       TRP  21  -1.742  -3.854   9.751
  149    HA   TRP  21           HA       TRP  21  -4.134  -4.743   8.533
  150   1HB   TRP  21          HB2       TRP  21  -3.793  -6.724  10.323
  151   2HB   TRP  21          HB1       TRP  21  -2.817  -6.578   8.870
  152    HD1  TRP  21           HD1      TRP  21  -0.743  -7.733   9.961
  153    HE1  TRP  21           HE1      TRP  21   1.012  -6.942  11.672
  154    HE3  TRP  21           HE3      TRP  21  -3.089  -3.582  11.800
  155    HZ2  TRP  21           HZ2      TRP  21   1.375  -4.843  13.567
  156    HZ3  TRP  21           HZ3      TRP  21  -2.019  -2.213  13.562
  157    HH2  TRP  21           HH2      TRP  21   0.211  -2.835  14.447
  Start of MODEL    3
    1   1H    CYS   1           HT1      CYS   1   8.083  -0.335  -3.592
    2   2H    CYS   1           HT2      CYS   1   8.064  -0.081  -5.272
    3   3H    CYS   1           HT3      CYS   1   7.889  -1.650  -4.644
    4    HA   CYS   1           HA       CYS   1   5.812  -0.811  -3.497
    5   1HB   CYS   1          HB2       CYS   1   6.174   1.565  -3.744
    6   2HB   CYS   1          HB1       CYS   1   6.362   1.407  -5.489
    7    H    SER   2           HN       SER   2   4.334  -2.213  -4.322
    8    HA   SER   2           HA       SER   2   4.147  -2.489  -7.276
    9   1HB   SER   2          HB2       SER   2   5.502  -4.346  -5.993
   10   2HB   SER   2          HB1       SER   2   3.902  -4.914  -5.525
   11    HG   SER   2           HG       SER   2   4.978  -4.576  -8.125
   12    H    CYS   3           HN       CYS   3   2.220  -1.114  -6.876
   13    HA   CYS   3           HA       CYS   3  -0.105  -2.812  -6.133
   14   1HB   CYS   3          HB2       CYS   3   0.167  -1.566  -4.128
   15   2HB   CYS   3          HB1       CYS   3   0.582  -0.093  -5.000
   16    H    SER   4           HN       SER   4  -2.163  -1.888  -7.043
   17    HA   SER   4           HA       SER   4  -1.895  -1.141  -9.766
   18   1HB   SER   4          HB2       SER   4  -3.985  -2.060  -9.208
   19   2HB   SER   4          HB1       SER   4  -4.165  -1.026  -7.794
   20    HG   SER   4           HG       SER   4  -5.196  -0.603 -10.109
   21    H    SER   5           HN       SER   5  -2.947   0.890  -7.027
   22    HA   SER   5           HA       SER   5  -1.744   3.214  -8.458
   23   1HB   SER   5          HB2       SER   5  -3.775   4.181  -8.608
   24   2HB   SER   5          HB1       SER   5  -4.510   2.786  -7.827
   25    HG   SER   5           HG       SER   5  -4.268   3.746  -5.875
   26    H    LEU   6           HN       LEU   6  -0.137   4.040  -7.173
   27    HA   LEU   6           HA       LEU   6   0.392   3.190  -4.530
   28   1HB   LEU   6          HB2       LEU   6   1.393   5.371  -6.282
   29   2HB   LEU   6          HB1       LEU   6   1.666   5.569  -4.551
   30    HG   LEU   6           HG       LEU   6   2.576   3.216  -4.512
   31   1HD1  LEU   6          HD11      LEU   6   2.146   1.971  -6.343
   32   2HD1  LEU   6          HD12      LEU   6   3.410   2.897  -7.148
   33   3HD1  LEU   6          HD13      LEU   6   1.725   3.393  -7.297
   34   1HD2  LEU   6          HD21      LEU   6   4.647   4.111  -4.769
   35   2HD2  LEU   6          HD22      LEU   6   3.802   5.609  -5.159
   36   3HD2  LEU   6          HD23      LEU   6   4.342   4.538  -6.452
   37    H    MET   7           HN       MET   7  -2.001   5.482  -5.539
   38    HA   MET   7           HA       MET   7  -1.981   6.925  -2.981
   39   1HB   MET   7          HB2       MET   7  -2.578   8.239  -4.890
   40   2HB   MET   7          HB1       MET   7  -3.774   7.056  -5.416
   41   1HG   MET   7          HG2       MET   7  -5.343   7.783  -3.922
   42   2HG   MET   7          HG1       MET   7  -4.146   8.109  -2.669
   43   1HE   MET   7          HE1       MET   7  -6.476  11.104  -3.669
   44   2HE   MET   7          HE2       MET   7  -6.668   9.353  -3.625
   45   3HE   MET   7          HE3       MET   7  -6.566  10.181  -5.176
   46    H    ASP   8           HN       ASP   8  -3.195   3.951  -3.984
   47    HA   ASP   8           HA       ASP   8  -5.782   3.850  -2.841
   48   1HB   ASP   8          HB2       ASP   8  -4.333   2.024  -4.133
   49   2HB   ASP   8          HB1       ASP   8  -3.956   1.505  -2.492
   50    H    LYS   9           HN       LYS   9  -5.887   2.075  -0.801
   51    HA   LYS   9           HA       LYS   9  -4.476   3.509   1.410
   52   1HB   LYS   9          HB2       LYS   9  -7.030   1.881   1.612
   53   2HB   LYS   9          HB1       LYS   9  -6.328   2.912   2.857
   54   1HG   LYS   9          HG2       LYS   9  -7.211   3.962   0.152
   55   2HG   LYS   9          HG1       LYS   9  -8.256   3.956   1.573
   56   1HD   LYS   9          HD2       LYS   9  -7.334   6.055   1.809
   57   2HD   LYS   9          HD1       LYS   9  -6.128   5.115   2.691
   58   1HE   LYS   9          HE2       LYS   9  -4.547   5.345   1.044
   59   2HE   LYS   9          HE1       LYS   9  -5.745   5.351  -0.251
   60   1HZ   LYS   9          HZ1       LYS   9  -5.549   7.543  -0.292
   61   2HZ   LYS   9          HZ2       LYS   9  -4.544   7.544   1.079
   62   3HZ   LYS   9          HZ3       LYS   9  -6.233   7.608   1.259
   63    H    GLU  10           HN       GLU  10  -6.023   0.243   1.306
   64    HA   GLU  10           HA       GLU  10  -3.836  -0.840   2.871
   65   1HB   GLU  10          HB2       GLU  10  -5.704  -2.608   1.332
   66   2HB   GLU  10          HB1       GLU  10  -5.084  -2.797   2.974
   67   1HG   GLU  10          HG2       GLU  10  -6.449  -0.687   3.535
   68   2HG   GLU  10          HG1       GLU  10  -7.271  -0.967   2.000
   69    H    CYS  11           HN       CYS  11  -4.679  -0.753  -0.542
   70    HA   CYS  11           HA       CYS  11  -2.750  -2.702  -1.413
   71   1HB   CYS  11          HB2       CYS  11  -4.667  -1.805  -2.802
   72   2HB   CYS  11          HB1       CYS  11  -3.766  -0.297  -2.959
   73    H    VAL  12           HN       VAL  12  -2.586   0.498  -0.256
   74    HA   VAL  12           HA       VAL  12  -0.042   1.216  -1.463
   75    HB   VAL  12           HB       VAL  12  -1.883   2.372   0.612
   76   1HG1  VAL  12          HG11      VAL  12  -0.134   3.260   1.701
   77   2HG1  VAL  12          HG12      VAL  12   0.089   4.265   0.269
   78   3HG1  VAL  12          HG13      VAL  12   1.002   2.767   0.445
   79   1HG2  VAL  12          HG21      VAL  12  -0.737   3.256  -2.039
   80   2HG2  VAL  12          HG22      VAL  12  -1.713   4.300  -1.004
   81   3HG2  VAL  12          HG23      VAL  12  -2.410   2.830  -1.685
   82    H    TYR  13           HN       TYR  13  -1.126  -0.229   1.576
   83    HA   TYR  13           HA       TYR  13   1.311   0.010   3.032
   84   1HB   TYR  13          HB2       TYR  13  -0.839  -2.130   3.137
   85   2HB   TYR  13          HB1       TYR  13   0.441  -1.938   4.337
   86    HD1  TYR  13           HD1      TYR  13   0.607   1.063   4.397
   87    HD2  TYR  13           HD2      TYR  13  -2.776  -1.584   4.403
   88    HE1  TYR  13           HE1      TYR  13  -0.741   2.790   5.557
   89    HE2  TYR  13           HE2      TYR  13  -4.124   0.143   5.564
   90    HH   TYR  13           HH       TYR  13  -3.647   3.119   5.615
   91    H    PHE  14           HN       PHE  14   0.261  -2.214   0.536
   92    HA   PHE  14           HA       PHE  14   2.239  -4.227   0.935
   93   1HB   PHE  14          HB2       PHE  14   1.111  -3.402  -1.746
   94   2HB   PHE  14          HB1       PHE  14   1.668  -5.001  -1.253
   95    HD1  PHE  14           HD1      PHE  14  -1.046  -4.574  -2.416
   96    HD2  PHE  14           HD2      PHE  14   0.316  -4.367   1.654
   97    HE1  PHE  14           HE1      PHE  14  -3.327  -5.134  -1.620
   98    HE2  PHE  14           HE2      PHE  14  -1.966  -4.924   2.447
   99    HZ   PHE  14           HZ       PHE  14  -3.787  -5.308   0.810
  100    H    CYS  15           HN       CYS  15   2.422  -1.046  -0.507
  101    HA   CYS  15           HA       CYS  15   4.952  -1.578  -1.871
  102   1HB   CYS  15          HB2       CYS  15   3.331   0.905  -1.332
  103   2HB   CYS  15          HB1       CYS  15   4.897   0.971  -2.112
  104    H    HIS  16           HN       HIS  16   4.530  -1.771   1.235
  105    HA   HIS  16           HA       HIS  16   6.107  -1.602   2.985
  106   1HB   HIS  16          HB2       HIS  16   7.742   0.302   1.322
  107   2HB   HIS  16          HB1       HIS  16   8.281  -0.814   2.577
  108    HD1  HIS  16           HD1      HIS  16   7.610  -3.484   1.870
  109    HD2  HIS  16           HD2      HIS  16   8.282  -0.719  -1.177
  110    HE1  HIS  16           HE1      HIS  16   8.117  -4.826  -0.217
  111    H    LEU  17           HN       LEU  17   3.796   0.076   2.787
  112    HA   LEU  17           HA       LEU  17   4.815   2.691   3.783
  113   1HB   LEU  17          HB2       LEU  17   2.227   1.817   2.523
  114   2HB   LEU  17          HB1       LEU  17   2.354   3.315   3.410
  115    HG   LEU  17           HG       LEU  17   4.472   3.708   1.901
  116   1HD1  LEU  17          HD11      LEU  17   3.543   1.245   0.919
  117   2HD1  LEU  17          HD12      LEU  17   4.766   2.280   0.182
  118   3HD1  LEU  17          HD13      LEU  17   3.076   2.432  -0.299
  119   1HD2  LEU  17          HD21      LEU  17   1.731   4.443   1.762
  120   2HD2  LEU  17          HD22      LEU  17   2.254   4.112   0.110
  121   3HD2  LEU  17          HD23      LEU  17   3.110   5.308   1.085
  122    H    ASP  18           HN       ASP  18   5.182   1.092   5.761
  123    HA   ASP  18           HA       ASP  18   4.459   0.267   7.859
  124   1HB   ASP  18          HB2       ASP  18   4.725   2.582   8.404
  125   2HB   ASP  18          HB1       ASP  18   3.211   3.010   7.607
  126    H    ILE  19           HN       ILE  19   3.078  -1.405   6.648
  127    HA   ILE  19           HA       ILE  19   0.324  -1.047   6.135
  128    HB   ILE  19           HB       ILE  19   0.185  -3.390   6.001
  129   1HG1  ILE  19          HG12      ILE  19   2.483  -3.592   7.975
  130   2HG1  ILE  19          HG11      ILE  19   0.783  -3.785   8.398
  131   1HG2  ILE  19          HG21      ILE  19   1.971  -3.927   4.662
  132   2HG2  ILE  19          HG22      ILE  19   3.156  -3.306   5.813
  133   3HG2  ILE  19          HG23      ILE  19   2.246  -2.189   4.796
  134   1HD1  ILE  19          HD11      ILE  19   2.583  -5.633   6.945
  135   2HD1  ILE  19          HD12      ILE  19   0.936  -5.515   6.327
  136   3HD1  ILE  19          HD13      ILE  19   1.217  -5.986   8.003
  137    H    ILE  20           HN       ILE  20  -1.390  -0.702   7.504
  138    HA   ILE  20           HA       ILE  20  -0.914  -1.287  10.407
  139    HB   ILE  20           HB       ILE  20  -2.542   0.882   9.063
  140   1HG1  ILE  20          HG12      ILE  20  -0.222   1.470   9.341
  141   2HG1  ILE  20          HG11      ILE  20  -1.118   2.286  10.620
  142   1HG2  ILE  20          HG21      ILE  20  -3.992   0.309  10.794
  143   2HG2  ILE  20          HG22      ILE  20  -2.939   1.467  11.606
  144   3HG2  ILE  20          HG23      ILE  20  -2.688  -0.263  11.834
  145   1HD1  ILE  20          HD11      ILE  20   0.678   1.354  11.797
  146   2HD1  ILE  20          HD12      ILE  20   0.677  -0.115  10.821
  147   3HD1  ILE  20          HD13      ILE  20  -0.589   0.146  12.020
  148    H    TRP  21           HN       TRP  21  -1.695  -3.480   9.902
  149    HA   TRP  21           HA       TRP  21  -4.256  -4.066   8.855
  150   1HB   TRP  21          HB2       TRP  21  -4.058  -6.051  10.662
  151   2HB   TRP  21          HB1       TRP  21  -3.164  -6.051   9.149
  152    HD1  TRP  21           HD1      TRP  21  -1.197  -7.458  10.146
  153    HE1  TRP  21           HE1      TRP  21   0.750  -6.879  11.730
  154    HE3  TRP  21           HE3      TRP  21  -2.857  -3.001  12.019
  155    HZ2  TRP  21           HZ2      TRP  21   1.502  -4.815  13.548
  156    HZ3  TRP  21           HZ3      TRP  21  -1.508  -1.757  13.679
  157    HH2  TRP  21           HH2      TRP  21   0.670  -2.656  14.446
  Start of MODEL    4
    1   1H    CYS   1           HT1      CYS   1   7.407  -3.042  -2.679
    2   2H    CYS   1           HT2      CYS   1   8.594  -2.022  -3.339
    3   3H    CYS   1           HT3      CYS   1   7.932  -3.277  -4.274
    4    HA   CYS   1           HA       CYS   1   5.981  -1.425  -3.224
    5   1HB   CYS   1          HB2       CYS   1   8.375  -0.473  -4.603
    6   2HB   CYS   1          HB1       CYS   1   6.899  -0.077  -5.483
    7    H    SER   2           HN       SER   2   4.264  -2.507  -4.086
    8    HA   SER   2           HA       SER   2   4.063  -2.787  -6.980
    9   1HB   SER   2          HB2       SER   2   3.597  -5.404  -5.704
   10   2HB   SER   2          HB1       SER   2   4.367  -5.023  -7.242
   11    HG   SER   2           HG       SER   2   6.250  -4.951  -6.279
   12    H    CYS   3           HN       CYS   3   2.162  -1.539  -6.702
   13    HA   CYS   3           HA       CYS   3  -0.135  -3.088  -5.628
   14   1HB   CYS   3          HB2       CYS   3   0.275  -1.651  -3.784
   15   2HB   CYS   3          HB1       CYS   3   0.679  -0.288  -4.824
   16    H    SER   4           HN       SER   4  -2.230  -2.211  -6.503
   17    HA   SER   4           HA       SER   4  -2.120  -1.763  -9.302
   18   1HB   SER   4          HB2       SER   4  -4.186  -2.565  -8.508
   19   2HB   SER   4          HB1       SER   4  -4.262  -1.363  -7.224
   20    HG   SER   4           HG       SER   4  -4.607   0.218  -8.802
   21    H    SER   5           HN       SER   5  -2.961   0.572  -6.740
   22    HA   SER   5           HA       SER   5  -1.692   2.688  -8.399
   23   1HB   SER   5          HB2       SER   5  -3.677   3.681  -8.796
   24   2HB   SER   5          HB1       SER   5  -4.505   2.403  -7.916
   25    HG   SER   5           HG       SER   5  -4.309   3.570  -6.052
   26    H    LEU   6           HN       LEU   6  -0.148   3.626  -7.112
   27    HA   LEU   6           HA       LEU   6   0.229   3.076  -4.380
   28   1HB   LEU   6          HB2       LEU   6   1.308   5.085  -6.282
   29   2HB   LEU   6          HB1       LEU   6   1.485   5.457  -4.566
   30    HG   LEU   6           HG       LEU   6   2.409   3.133  -4.244
   31   1HD1  LEU   6          HD11      LEU   6   3.191   1.930  -6.232
   32   2HD1  LEU   6          HD12      LEU   6   2.512   3.180  -7.273
   33   3HD1  LEU   6          HD13      LEU   6   1.444   2.161  -6.309
   34   1HD2  LEU   6          HD21      LEU   6   3.824   5.061  -6.106
   35   2HD2  LEU   6          HD22      LEU   6   4.625   3.694  -5.332
   36   3HD2  LEU   6          HD23      LEU   6   3.949   4.993  -4.349
   37    H    MET   7           HN       MET   7  -2.107   5.240  -5.744
   38    HA   MET   7           HA       MET   7  -2.254   6.919  -3.341
   39   1HB   MET   7          HB2       MET   7  -2.752   8.032  -5.402
   40   2HB   MET   7          HB1       MET   7  -3.905   6.785  -5.875
   41   1HG   MET   7          HG2       MET   7  -5.565   7.635  -4.555
   42   2HG   MET   7          HG1       MET   7  -4.446   8.091  -3.270
   43   1HE   MET   7          HE1       MET   7  -5.543   8.434  -6.663
   44   2HE   MET   7          HE2       MET   7  -4.899   9.944  -7.305
   45   3HE   MET   7          HE3       MET   7  -6.456   9.937  -6.479
   46    H    ASP   8           HN       ASP   8  -3.385   3.845  -4.124
   47    HA   ASP   8           HA       ASP   8  -6.028   3.844  -3.078
   48   1HB   ASP   8          HB2       ASP   8  -4.515   1.917  -4.177
   49   2HB   ASP   8          HB1       ASP   8  -4.279   1.503  -2.480
   50    H    LYS   9           HN       LYS   9  -5.679   1.852  -0.959
   51    HA   LYS   9           HA       LYS   9  -4.487   3.549   1.193
   52   1HB   LYS   9          HB2       LYS   9  -7.069   2.001   1.536
   53   2HB   LYS   9          HB1       LYS   9  -6.376   3.197   2.629
   54   1HG   LYS   9          HG2       LYS   9  -7.263   3.837  -0.201
   55   2HG   LYS   9          HG1       LYS   9  -8.297   4.063   1.210
   56   1HD   LYS   9          HD2       LYS   9  -5.740   5.505   0.504
   57   2HD   LYS   9          HD1       LYS   9  -7.321   6.186   0.880
   58   1HE   LYS   9          HE2       LYS   9  -6.938   4.979   3.204
   59   2HE   LYS   9          HE1       LYS   9  -5.240   5.092   2.740
   60   1HZ   LYS   9          HZ1       LYS   9  -5.390   7.423   2.566
   61   2HZ   LYS   9          HZ2       LYS   9  -6.146   7.021   4.033
   62   3HZ   LYS   9          HZ3       LYS   9  -7.082   7.411   2.670
   63    H    GLU  10           HN       GLU  10  -6.144   0.353   1.293
   64    HA   GLU  10           HA       GLU  10  -4.053  -0.739   2.951
   65   1HB   GLU  10          HB2       GLU  10  -6.136  -1.757   3.305
   66   2HB   GLU  10          HB1       GLU  10  -6.505  -1.824   1.584
   67   1HG   GLU  10          HG2       GLU  10  -5.482  -3.827   1.330
   68   2HG   GLU  10          HG1       GLU  10  -4.102  -3.343   2.318
   69    H    CYS  11           HN       CYS  11  -4.733  -0.710  -0.497
   70    HA   CYS  11           HA       CYS  11  -2.761  -2.747  -1.169
   71   1HB   CYS  11          HB2       CYS  11  -4.671  -2.204  -2.667
   72   2HB   CYS  11          HB1       CYS  11  -4.012  -0.585  -2.897
   73    H    VAL  12           HN       VAL  12  -2.645   0.461  -0.156
   74    HA   VAL  12           HA       VAL  12  -0.226   1.238  -1.584
   75    HB   VAL  12           HB       VAL  12  -1.920   2.429   0.601
   76   1HG1  VAL  12          HG11      VAL  12   0.428   2.901   1.160
   77   2HG1  VAL  12          HG12      VAL  12  -0.428   4.356   0.647
   78   3HG1  VAL  12          HG13      VAL  12   0.674   3.542  -0.465
   79   1HG2  VAL  12          HG21      VAL  12  -2.728   2.677  -1.674
   80   2HG2  VAL  12          HG22      VAL  12  -1.148   3.251  -2.208
   81   3HG2  VAL  12          HG23      VAL  12  -2.122   4.237  -1.117
   82    H    TYR  13           HN       TYR  13  -1.031  -0.099   1.600
   83    HA   TYR  13           HA       TYR  13   1.353   0.348   2.991
   84   1HB   TYR  13          HB2       TYR  13  -0.263  -2.217   2.981
   85   2HB   TYR  13          HB1       TYR  13   0.830  -1.680   4.254
   86    HD1  TYR  13           HD1      TYR  13  -2.246  -2.266   4.397
   87    HD2  TYR  13           HD2      TYR  13   0.073   1.323   3.953
   88    HE1  TYR  13           HE1      TYR  13  -4.082  -0.953   5.424
   89    HE2  TYR  13           HE2      TYR  13  -1.763   2.636   4.981
   90    HH   TYR  13           HH       TYR  13  -3.887   1.727   6.782
   91    H    PHE  14           HN       PHE  14   0.787  -1.766   0.276
   92    HA   PHE  14           HA       PHE  14   3.018  -3.508   0.639
   93   1HB   PHE  14          HB2       PHE  14   1.856  -2.618  -2.010
   94   2HB   PHE  14          HB1       PHE  14   2.690  -4.133  -1.660
   95    HD1  PHE  14           HD1      PHE  14   1.352  -4.353   1.185
   96    HD2  PHE  14           HD2      PHE  14  -0.177  -3.785  -2.790
   97    HE1  PHE  14           HE1      PHE  14  -0.797  -5.385   1.865
   98    HE2  PHE  14           HE2      PHE  14  -2.326  -4.817  -2.107
   99    HZ   PHE  14           HZ       PHE  14  -2.636  -5.617   0.220
  100    H    CYS  15           HN       CYS  15   2.781  -0.258  -0.692
  101    HA   CYS  15           HA       CYS  15   5.491  -0.342  -1.798
  102   1HB   CYS  15          HB2       CYS  15   3.216   1.356  -2.039
  103   2HB   CYS  15          HB1       CYS  15   4.559   2.342  -1.466
  104    H    HIS  16           HN       HIS  16   4.967  -0.753   1.207
  105    HA   HIS  16           HA       HIS  16   6.320  -0.308   3.086
  106   1HB   HIS  16          HB2       HIS  16   7.620   1.964   1.599
  107   2HB   HIS  16          HB1       HIS  16   8.302   0.929   2.854
  108    HD1  HIS  16           HD1      HIS  16   7.748  -1.845   1.806
  109    HD2  HIS  16           HD2      HIS  16   9.025   1.251  -0.676
  110    HE1  HIS  16           HE1      HIS  16   8.790  -2.940  -0.226
  111    H    LEU  17           HN       LEU  17   3.723   0.872   2.725
  112    HA   LEU  17           HA       LEU  17   4.086   3.601   3.839
  113   1HB   LEU  17          HB2       LEU  17   1.723   2.220   2.556
  114   2HB   LEU  17          HB1       LEU  17   1.673   3.819   3.251
  115    HG   LEU  17           HG       LEU  17   2.053   4.213   0.947
  116   1HD1  LEU  17          HD11      LEU  17   4.171   5.286   0.899
  117   2HD1  LEU  17          HD12      LEU  17   4.867   4.133   2.037
  118   3HD1  LEU  17          HD13      LEU  17   3.684   5.317   2.594
  119   1HD2  LEU  17          HD21      LEU  17   4.427   2.746   0.365
  120   2HD2  LEU  17          HD22      LEU  17   2.826   2.539  -0.344
  121   3HD2  LEU  17          HD23      LEU  17   3.277   1.625   1.092
  122    H    ASP  18           HN       ASP  18   4.680   2.060   5.821
  123    HA   ASP  18           HA       ASP  18   4.029   1.049   7.860
  124   1HB   ASP  18          HB2       ASP  18   3.748   3.354   8.441
  125   2HB   ASP  18          HB1       ASP  18   2.227   3.459   7.555
  126    H    ILE  19           HN       ILE  19   3.126  -0.891   6.640
  127    HA   ILE  19           HA       ILE  19   0.369  -1.087   5.954
  128    HB   ILE  19           HB       ILE  19   0.756  -3.380   5.681
  129   1HG1  ILE  19          HG12      ILE  19   2.910  -3.238   7.814
  130   2HG1  ILE  19          HG11      ILE  19   1.261  -3.796   8.097
  131   1HG2  ILE  19          HG21      ILE  19   2.795  -1.624   4.941
  132   2HG2  ILE  19          HG22      ILE  19   2.530  -3.248   4.305
  133   3HG2  ILE  19          HG23      ILE  19   3.637  -3.000   5.655
  134   1HD1  ILE  19          HD11      ILE  19   2.795  -5.692   7.710
  135   2HD1  ILE  19          HD12      ILE  19   3.206  -5.028   6.128
  136   3HD1  ILE  19          HD13      ILE  19   1.565  -5.589   6.451
  137    H    ILE  20           HN       ILE  20  -1.420  -1.177   7.257
  138    HA   ILE  20           HA       ILE  20  -0.932  -1.801  10.151
  139    HB   ILE  20           HB       ILE  20  -2.931   0.052   8.836
  140   1HG1  ILE  20          HG12      ILE  20  -0.794   1.091   9.236
  141   2HG1  ILE  20          HG11      ILE  20  -1.881   1.638  10.511
  142   1HG2  ILE  20          HG21      ILE  20  -3.055  -1.411  11.398
  143   2HG2  ILE  20          HG22      ILE  20  -4.348  -0.643  10.477
  144   3HG2  ILE  20          HG23      ILE  20  -3.322   0.327  11.533
  145   1HD1  ILE  20          HD11      ILE  20  -0.116   1.013  11.839
  146   2HD1  ILE  20          HD12      ILE  20   0.465  -0.183  10.680
  147   3HD1  ILE  20          HD13      ILE  20  -0.912  -0.556  11.717
  148    H    TRP  21           HN       TRP  21  -1.224  -4.079   9.523
  149    HA   TRP  21           HA       TRP  21  -3.567  -5.124   8.334
  150   1HB   TRP  21          HB2       TRP  21  -3.032  -7.112  10.070
  151   2HB   TRP  21          HB1       TRP  21  -2.105  -6.858   8.599
  152    HD1  TRP  21           HD1      TRP  21   0.078  -7.873   9.619
  153    HE1  TRP  21           HE1      TRP  21   1.805  -6.986  11.309
  154    HE3  TRP  21           HE3      TRP  21  -2.539  -3.959  11.606
  155    HZ2  TRP  21           HZ2      TRP  21   2.050  -4.907  13.245
  156    HZ3  TRP  21           HZ3      TRP  21  -1.537  -2.549  13.376
  157    HH2  TRP  21           HH2      TRP  21   0.755  -3.016  14.198
  Start of MODEL    5
    1   1H    CYS   1           HT1      CYS   1   7.937  -2.719  -2.561
    2   2H    CYS   1           HT2      CYS   1   8.647  -2.749  -4.105
    3   3H    CYS   1           HT3      CYS   1   7.291  -3.717  -3.772
    4    HA   CYS   1           HA       CYS   1   6.124  -1.499  -3.245
    5   1HB   CYS   1          HB2       CYS   1   8.708  -0.615  -3.969
    6   2HB   CYS   1          HB1       CYS   1   7.653  -0.185  -5.315
    7    H    SER   2           HN       SER   2   4.423  -2.406  -4.353
    8    HA   SER   2           HA       SER   2   4.349  -2.123  -7.243
    9   1HB   SER   2          HB2       SER   2   3.815  -4.649  -7.525
   10   2HB   SER   2          HB1       SER   2   5.504  -4.169  -7.395
   11    HG   SER   2           HG       SER   2   3.905  -5.594  -5.653
   12    H    CYS   3           HN       CYS   3   2.435  -0.952  -6.831
   13    HA   CYS   3           HA       CYS   3   0.119  -2.650  -6.034
   14   1HB   CYS   3          HB2       CYS   3   0.442  -1.354  -4.073
   15   2HB   CYS   3          HB1       CYS   3   0.866   0.089  -4.990
   16    H    SER   4           HN       SER   4  -1.964  -1.746  -6.902
   17    HA   SER   4           HA       SER   4  -1.765  -1.056  -9.654
   18   1HB   SER   4          HB2       SER   4  -3.824  -2.007  -9.029
   19   2HB   SER   4          HB1       SER   4  -3.996  -0.941  -7.636
   20    HG   SER   4           HG       SER   4  -3.955  -0.004 -10.309
   21    H    SER   5           HN       SER   5  -2.803   1.000  -6.928
   22    HA   SER   5           HA       SER   5  -1.588   3.312  -8.357
   23   1HB   SER   5          HB2       SER   5  -3.610   4.256  -8.680
   24   2HB   SER   5          HB1       SER   5  -4.390   2.865  -7.936
   25    HG   SER   5           HG       SER   5  -4.357   5.254  -6.992
   26    H    LEU   6           HN       LEU   6  -0.094   4.189  -6.971
   27    HA   LEU   6           HA       LEU   6   0.273   3.399  -4.293
   28   1HB   LEU   6          HB2       LEU   6   1.308   5.606  -5.991
   29   2HB   LEU   6          HB1       LEU   6   1.453   5.825  -4.248
   30    HG   LEU   6           HG       LEU   6   2.447   3.508  -4.129
   31   1HD1  LEU   6          HD11      LEU   6   1.482   2.881  -6.418
   32   2HD1  LEU   6          HD12      LEU   6   3.151   2.399  -6.113
   33   3HD1  LEU   6          HD13      LEU   6   2.810   3.811  -7.113
   34   1HD2  LEU   6          HD21      LEU   6   4.484   4.498  -4.230
   35   2HD2  LEU   6          HD22      LEU   6   3.620   5.950  -4.733
   36   3HD2  LEU   6          HD23      LEU   6   4.304   4.865  -5.944
   37    H    MET   7           HN       MET   7  -2.119   5.602  -5.490
   38    HA   MET   7           HA       MET   7  -2.341   7.054  -2.948
   39   1HB   MET   7          HB2       MET   7  -2.848   8.335  -4.905
   40   2HB   MET   7          HB1       MET   7  -3.958   7.103  -5.506
   41   1HG   MET   7          HG2       MET   7  -5.657   7.779  -4.135
   42   2HG   MET   7          HG1       MET   7  -4.566   8.155  -2.801
   43   1HE   MET   7          HE1       MET   7  -5.359  10.863  -2.136
   44   2HE   MET   7          HE2       MET   7  -6.548   9.692  -2.701
   45   3HE   MET   7          HE3       MET   7  -6.555  11.328  -3.355
   46    H    ASP   8           HN       ASP   8  -3.371   4.031  -4.016
   47    HA   ASP   8           HA       ASP   8  -6.028   3.863  -3.024
   48   1HB   ASP   8          HB2       ASP   8  -4.435   2.080  -4.247
   49   2HB   ASP   8          HB1       ASP   8  -4.215   1.533  -2.586
   50    H    LYS   9           HN       LYS   9  -5.850   1.810  -1.043
   51    HA   LYS   9           HA       LYS   9  -4.719   3.351   1.258
   52   1HB   LYS   9          HB2       LYS   9  -7.167   1.582   1.433
   53   2HB   LYS   9          HB1       LYS   9  -6.605   2.771   2.603
   54   1HG   LYS   9          HG2       LYS   9  -7.511   3.473  -0.208
   55   2HG   LYS   9          HG1       LYS   9  -8.563   3.557   1.205
   56   1HD   LYS   9          HD2       LYS   9  -6.110   5.212   0.599
   57   2HD   LYS   9          HD1       LYS   9  -7.747   5.762   0.955
   58   1HE   LYS   9          HE2       LYS   9  -6.847   6.108   3.035
   59   2HE   LYS   9          HE1       LYS   9  -7.248   4.402   3.231
   60   1HZ   LYS   9          HZ1       LYS   9  -4.838   5.324   3.687
   61   2HZ   LYS   9          HZ2       LYS   9  -4.672   5.063   2.017
   62   3HZ   LYS   9          HZ3       LYS   9  -5.090   3.775   3.045
   63    H    GLU  10           HN       GLU  10  -6.116   0.028   1.077
   64    HA   GLU  10           HA       GLU  10  -3.940  -0.978   2.697
   65   1HB   GLU  10          HB2       GLU  10  -5.658  -2.814   1.068
   66   2HB   GLU  10          HB1       GLU  10  -5.101  -2.988   2.733
   67   1HG   GLU  10          HG2       GLU  10  -6.597  -0.935   3.231
   68   2HG   GLU  10          HG1       GLU  10  -7.350  -1.287   1.675
   69    H    CYS  11           HN       CYS  11  -4.646  -0.828  -0.735
   70    HA   CYS  11           HA       CYS  11  -2.615  -2.684  -1.588
   71   1HB   CYS  11          HB2       CYS  11  -4.504  -1.850  -3.033
   72   2HB   CYS  11          HB1       CYS  11  -3.708  -0.278  -3.083
   73    H    VAL  12           HN       VAL  12  -2.629   0.497  -0.352
   74    HA   VAL  12           HA       VAL  12  -0.071   1.343  -1.438
   75    HB   VAL  12           HB       VAL  12  -2.020   2.370   0.606
   76   1HG1  VAL  12          HG11      VAL  12   0.849   2.878   0.542
   77   2HG1  VAL  12          HG12      VAL  12  -0.344   3.295   1.773
   78   3HG1  VAL  12          HG13      VAL  12  -0.114   4.346   0.375
   79   1HG2  VAL  12          HG21      VAL  12  -2.563   2.940  -1.626
   80   2HG2  VAL  12          HG22      VAL  12  -0.880   3.285  -2.029
   81   3HG2  VAL  12          HG23      VAL  12  -1.776   4.376  -0.972
   82    H    TYR  13           HN       TYR  13  -1.204  -0.252   1.495
   83    HA   TYR  13           HA       TYR  13   1.111   0.053   3.104
   84   1HB   TYR  13          HB2       TYR  13  -0.953  -2.149   2.924
   85   2HB   TYR  13          HB1       TYR  13   0.316  -2.132   4.145
   86    HD1  TYR  13           HD1      TYR  13  -0.402   1.215   3.378
   87    HD2  TYR  13           HD2      TYR  13  -2.018  -2.156   5.499
   88    HE1  TYR  13           HE1      TYR  13  -1.762   2.745   4.774
   89    HE2  TYR  13           HE2      TYR  13  -3.377  -0.623   6.894
   90    HH   TYR  13           HH       TYR  13  -2.856   2.747   6.965
   91    H    PHE  14           HN       PHE  14   0.524  -1.911   0.309
   92    HA   PHE  14           HA       PHE  14   2.552  -3.877   0.807
   93   1HB   PHE  14          HB2       PHE  14   1.479  -2.931  -1.862
   94   2HB   PHE  14          HB1       PHE  14   2.275  -4.473  -1.531
   95    HD1  PHE  14           HD1      PHE  14  -0.614  -3.967  -2.623
   96    HD2  PHE  14           HD2      PHE  14   0.970  -4.757   1.292
   97    HE1  PHE  14           HE1      PHE  14  -2.789  -4.942  -1.936
   98    HE2  PHE  14           HE2      PHE  14  -1.203  -5.731   1.976
   99    HZ   PHE  14           HZ       PHE  14  -3.083  -5.823   0.364
  100    H    CYS  15           HN       CYS  15   2.676  -0.622  -0.555
  101    HA   CYS  15           HA       CYS  15   5.386  -0.999  -1.606
  102   1HB   CYS  15          HB2       CYS  15   3.326   1.001  -1.791
  103   2HB   CYS  15          HB1       CYS  15   4.839   1.760  -1.316
  104    H    HIS  16           HN       HIS  16   4.827  -1.404   1.380
  105    HA   HIS  16           HA       HIS  16   6.201  -1.100   3.272
  106   1HB   HIS  16          HB2       HIS  16   7.850  -0.311   1.206
  107   2HB   HIS  16          HB1       HIS  16   7.785   1.135   2.214
  108    HD1  HIS  16           HD1      HIS  16   8.050  -2.612   2.949
  109    HD2  HIS  16           HD2      HIS  16   9.782   1.001   4.099
  110    HE1  HIS  16           HE1      HIS  16   9.799  -3.178   4.691
  111    H    LEU  17           HN       LEU  17   3.718   0.304   2.894
  112    HA   LEU  17           HA       LEU  17   4.304   2.953   4.112
  113   1HB   LEU  17          HB2       LEU  17   1.959   1.856   2.571
  114   2HB   LEU  17          HB1       LEU  17   1.855   3.330   3.502
  115    HG   LEU  17           HG       LEU  17   4.127   3.849   2.159
  116   1HD1  LEU  17          HD11      LEU  17   4.338   2.776   0.159
  117   2HD1  LEU  17          HD12      LEU  17   2.594   2.649  -0.073
  118   3HD1  LEU  17          HD13      LEU  17   3.430   1.507   0.980
  119   1HD2  LEU  17          HD21      LEU  17   1.404   4.654   2.046
  120   2HD2  LEU  17          HD22      LEU  17   1.957   4.478   0.380
  121   3HD2  LEU  17          HD23      LEU  17   2.814   5.552   1.486
  122    H    ASP  18           HN       ASP  18   4.678   1.328   6.045
  123    HA   ASP  18           HA       ASP  18   3.887   0.331   8.036
  124   1HB   ASP  18          HB2       ASP  18   3.665   2.624   8.670
  125   2HB   ASP  18          HB1       ASP  18   2.213   2.826   7.690
  126    H    ILE  19           HN       ILE  19   2.976  -1.566   6.786
  127    HA   ILE  19           HA       ILE  19   0.237  -1.622   5.941
  128    HB   ILE  19           HB       ILE  19   0.532  -4.036   5.872
  129   1HG1  ILE  19          HG12      ILE  19   3.249  -4.094   6.947
  130   2HG1  ILE  19          HG11      ILE  19   2.058  -3.625   8.159
  131   1HG2  ILE  19          HG21      ILE  19   1.778  -3.671   4.037
  132   2HG2  ILE  19          HG22      ILE  19   3.221  -3.646   5.052
  133   3HG2  ILE  19          HG23      ILE  19   2.356  -2.147   4.712
  134   1HD1  ILE  19          HD11      ILE  19   2.510  -6.228   6.918
  135   2HD1  ILE  19          HD12      ILE  19   0.825  -5.717   6.807
  136   3HD1  ILE  19          HD13      ILE  19   1.611  -5.825   8.382
  137    H    ILE  20           HN       ILE  20  -0.248  -0.369   8.213
  138    HA   ILE  20           HA       ILE  20  -0.582  -2.160  10.484
  139    HB   ILE  20           HB       ILE  20  -0.139   0.264  10.738
  140   1HG1  ILE  20          HG12      ILE  20  -1.812   0.690  12.446
  141   2HG1  ILE  20          HG11      ILE  20  -2.879  -0.535  11.763
  142   1HG2  ILE  20          HG21      ILE  20  -2.447   0.385   8.941
  143   2HG2  ILE  20          HG22      ILE  20  -1.217   1.606   9.271
  144   3HG2  ILE  20          HG23      ILE  20  -2.614   1.452  10.336
  145   1HD1  ILE  20          HD11      ILE  20  -1.801  -2.178  12.865
  146   2HD1  ILE  20          HD12      ILE  20  -0.901  -0.928  13.725
  147   3HD1  ILE  20          HD13      ILE  20  -0.240  -1.632  12.249
  148    H    TRP  21           HN       TRP  21  -1.900  -3.652   8.807
  149    HA   TRP  21           HA       TRP  21  -4.503  -2.998   7.992
  150   1HB   TRP  21          HB2       TRP  21  -4.920  -5.565   8.642
  151   2HB   TRP  21          HB1       TRP  21  -4.008  -5.091   7.217
  152    HD1  TRP  21           HD1      TRP  21  -2.603  -7.306   7.280
  153    HE1  TRP  21           HE1      TRP  21  -0.618  -8.074   8.727
  154    HE3  TRP  21           HE3      TRP  21  -2.878  -3.891  11.084
  155    HZ2  TRP  21           HZ2      TRP  21   0.677  -7.354  11.164
  156    HZ3  TRP  21           HZ3      TRP  21  -1.260  -3.968  12.952
  157    HH2  TRP  21           HH2      TRP  21   0.519  -5.691  12.997
  Start of MODEL    6
    1   1H    CYS   1           HT1      CYS   1   8.006  -3.621  -2.994
    2   2H    CYS   1           HT2      CYS   1   8.685  -2.067  -3.068
    3   3H    CYS   1           HT3      CYS   1   8.401  -2.941  -4.496
    4    HA   CYS   1           HA       CYS   1   6.148  -2.329  -2.709
    5   1HB   CYS   1          HB2       CYS   1   7.159  -0.160  -2.965
    6   2HB   CYS   1          HB1       CYS   1   7.485  -0.448  -4.673
    7    H    SER   2           HN       SER   2   4.167  -2.258  -4.036
    8    HA   SER   2           HA       SER   2   4.012  -2.771  -6.797
    9   1HB   SER   2          HB2       SER   2   4.566  -5.180  -5.125
   10   2HB   SER   2          HB1       SER   2   3.383  -5.343  -6.420
   11    HG   SER   2           HG       SER   2   4.956  -4.568  -7.862
   12    H    CYS   3           HN       CYS   3   2.058  -1.692  -6.753
   13    HA   CYS   3           HA       CYS   3  -0.214  -3.156  -5.552
   14   1HB   CYS   3          HB2       CYS   3   0.223  -1.656  -3.759
   15   2HB   CYS   3          HB1       CYS   3   0.586  -0.323  -4.851
   16    H    SER   4           HN       SER   4  -2.313  -2.315  -6.442
   17    HA   SER   4           HA       SER   4  -2.221  -1.938  -9.253
   18   1HB   SER   4          HB2       SER   4  -4.282  -2.725  -8.439
   19   2HB   SER   4          HB1       SER   4  -4.350  -1.505  -7.169
   20    HG   SER   4           HG       SER   4  -4.852  -1.271  -9.930
   21    H    SER   5           HN       SER   5  -3.061   0.454  -6.744
   22    HA   SER   5           HA       SER   5  -1.823   2.537  -8.469
   23   1HB   SER   5          HB2       SER   5  -3.824   3.509  -8.842
   24   2HB   SER   5          HB1       SER   5  -4.624   2.257  -7.901
   25    HG   SER   5           HG       SER   5  -4.234   4.809  -7.278
   26    H    LEU   6           HN       LEU   6  -0.252   3.509  -7.242
   27    HA   LEU   6           HA       LEU   6   0.188   3.018  -4.505
   28   1HB   LEU   6          HB2       LEU   6   1.225   4.979  -6.479
   29   2HB   LEU   6          HB1       LEU   6   1.442   5.393  -4.779
   30    HG   LEU   6           HG       LEU   6   2.374   3.078  -4.420
   31   1HD1  LEU   6          HD11      LEU   6   1.981   3.035  -7.400
   32   2HD1  LEU   6          HD12      LEU   6   1.610   1.783  -6.213
   33   3HD1  LEU   6          HD13      LEU   6   3.285   2.100  -6.666
   34   1HD2  LEU   6          HD21      LEU   6   3.886   4.681  -6.499
   35   2HD2  LEU   6          HD22      LEU   6   4.568   3.654  -5.237
   36   3HD2  LEU   6          HD23      LEU   6   3.764   5.164  -4.807
   37    H    MET   7           HN       MET   7  -2.184   5.142  -5.861
   38    HA   MET   7           HA       MET   7  -2.266   6.886  -3.500
   39   1HB   MET   7          HB2       MET   7  -2.805   7.950  -5.576
   40   2HB   MET   7          HB1       MET   7  -3.972   6.696  -5.994
   41   1HG   MET   7          HG2       MET   7  -5.599   7.580  -4.655
   42   2HG   MET   7          HG1       MET   7  -4.450   8.075  -3.413
   43   1HE   MET   7          HE1       MET   7  -6.037   8.403  -6.567
   44   2HE   MET   7          HE2       MET   7  -5.557   9.912  -7.340
   45   3HE   MET   7          HE3       MET   7  -6.843   9.919  -6.137
   46    H    ASP   8           HN       ASP   8  -3.420   3.797  -4.169
   47    HA   ASP   8           HA       ASP   8  -6.045   3.833  -3.079
   48   1HB   ASP   8          HB2       ASP   8  -4.556   1.871  -4.147
   49   2HB   ASP   8          HB1       ASP   8  -4.287   1.508  -2.444
   50    H    LYS   9           HN       LYS   9  -5.643   1.896  -0.910
   51    HA   LYS   9           HA       LYS   9  -4.426   3.658   1.173
   52   1HB   LYS   9          HB2       LYS   9  -7.001   2.122   1.600
   53   2HB   LYS   9          HB1       LYS   9  -6.290   3.344   2.650
   54   1HG   LYS   9          HG2       LYS   9  -7.214   3.916  -0.183
   55   2HG   LYS   9          HG1       LYS   9  -8.234   4.171   1.232
   56   1HD   LYS   9          HD2       LYS   9  -5.678   5.596   0.487
   57   2HD   LYS   9          HD1       LYS   9  -7.263   6.288   0.830
   58   1HE   LYS   9          HE2       LYS   9  -6.302   6.701   2.868
   59   2HE   LYS   9          HE1       LYS   9  -6.818   5.045   3.182
   60   1HZ   LYS   9          HZ1       LYS   9  -4.239   5.385   1.875
   61   2HZ   LYS   9          HZ2       LYS   9  -4.719   4.266   3.059
   62   3HZ   LYS   9          HZ3       LYS   9  -4.324   5.858   3.501
   63    H    GLU  10           HN       GLU  10  -6.078   0.468   1.398
   64    HA   GLU  10           HA       GLU  10  -3.965  -0.581   3.055
   65   1HB   GLU  10          HB2       GLU  10  -6.045  -1.583   3.460
   66   2HB   GLU  10          HB1       GLU  10  -6.430  -1.705   1.744
   67   1HG   GLU  10          HG2       GLU  10  -5.421  -3.718   1.551
   68   2HG   GLU  10          HG1       GLU  10  -4.021  -3.198   2.489
   69    H    CYS  11           HN       CYS  11  -4.693  -0.644  -0.382
   70    HA   CYS  11           HA       CYS  11  -2.726  -2.698  -1.027
   71   1HB   CYS  11          HB2       CYS  11  -4.675  -2.207  -2.495
   72   2HB   CYS  11          HB1       CYS  11  -4.023  -0.597  -2.797
   73    H    VAL  12           HN       VAL  12  -2.618   0.555  -0.143
   74    HA   VAL  12           HA       VAL  12  -0.230   1.306  -1.634
   75    HB   VAL  12           HB       VAL  12  -1.870   2.535   0.572
   76   1HG1  VAL  12          HG11      VAL  12   0.308   3.226   1.159
   77   2HG1  VAL  12          HG12      VAL  12  -0.360   4.552   0.204
   78   3HG1  VAL  12          HG13      VAL  12   0.782   3.424  -0.528
   79   1HG2  VAL  12          HG21      VAL  12  -2.768   2.675  -1.692
   80   2HG2  VAL  12          HG22      VAL  12  -1.230   3.299  -2.288
   81   3HG2  VAL  12          HG23      VAL  12  -2.208   4.269  -1.187
   82    H    TYR  13           HN       TYR  13  -0.953  -0.015   1.561
   83    HA   TYR  13           HA       TYR  13   1.424   0.509   2.933
   84   1HB   TYR  13          HB2       TYR  13  -0.071  -2.127   2.925
   85   2HB   TYR  13          HB1       TYR  13   0.990  -1.530   4.198
   86    HD1  TYR  13           HD1      TYR  13  -1.924  -2.310   4.586
   87    HD2  TYR  13           HD2      TYR  13  -0.065   1.449   3.655
   88    HE1  TYR  13           HE1      TYR  13  -3.832  -1.110   5.617
   89    HE2  TYR  13           HE2      TYR  13  -1.975   2.649   4.687
   90    HH   TYR  13           HH       TYR  13  -4.821   1.498   5.171
   91    H    PHE  14           HN       PHE  14   0.916  -1.592   0.201
   92    HA   PHE  14           HA       PHE  14   3.198  -3.268   0.519
   93   1HB   PHE  14          HB2       PHE  14   2.017  -2.336  -2.109
   94   2HB   PHE  14          HB1       PHE  14   2.897  -3.836  -1.801
   95    HD1  PHE  14           HD1      PHE  14  -0.022  -3.449  -2.888
   96    HD2  PHE  14           HD2      PHE  14   1.611  -4.270   1.000
   97    HE1  PHE  14           HE1      PHE  14  -2.139  -4.563  -2.232
   98    HE2  PHE  14           HE2      PHE  14  -0.505  -5.383   1.655
   99    HZ   PHE  14           HZ       PHE  14  -2.380  -5.529   0.040
  100    H    CYS  15           HN       CYS  15   2.864   0.007  -0.729
  101    HA   CYS  15           HA       CYS  15   5.594   0.042  -1.798
  102   1HB   CYS  15          HB2       CYS  15   3.277   1.616  -2.132
  103   2HB   CYS  15          HB1       CYS  15   4.474   2.673  -1.384
  104    H    HIS  16           HN       HIS  16   5.004  -0.442   1.190
  105    HA   HIS  16           HA       HIS  16   6.313  -0.006   3.104
  106   1HB   HIS  16          HB2       HIS  16   7.910   0.966   1.107
  107   2HB   HIS  16          HB1       HIS  16   7.607   2.427   2.048
  108    HD1  HIS  16           HD1      HIS  16  10.164   2.279   2.809
  109    HD2  HIS  16           HD2      HIS  16   7.734  -0.832   4.146
  110    HE1  HIS  16           HE1      HIS  16  11.439   1.122   4.667
  111    H    LEU  17           HN       LEU  17   3.675   1.066   2.741
  112    HA   LEU  17           HA       LEU  17   3.907   3.772   3.941
  113   1HB   LEU  17          HB2       LEU  17   1.635   2.346   2.550
  114   2HB   LEU  17          HB1       LEU  17   1.498   3.917   3.296
  115    HG   LEU  17           HG       LEU  17   1.935   4.415   1.025
  116   1HD1  LEU  17          HD11      LEU  17   3.480   5.528   2.727
  117   2HD1  LEU  17          HD12      LEU  17   4.044   5.526   1.057
  118   3HD1  LEU  17          HD13      LEU  17   4.712   4.376   2.214
  119   1HD2  LEU  17          HD21      LEU  17   4.360   3.037   0.449
  120   2HD2  LEU  17          HD22      LEU  17   2.780   2.806  -0.301
  121   3HD2  LEU  17          HD23      LEU  17   3.231   1.859   1.117
  122    H    ASP  18           HN       ASP  18   4.519   2.208   5.888
  123    HA   ASP  18           HA       ASP  18   3.877   1.129   7.890
  124   1HB   ASP  18          HB2       ASP  18   3.456   3.401   8.509
  125   2HB   ASP  18          HB1       ASP  18   1.953   3.441   7.588
  126    H    ILE  19           HN       ILE  19   3.111  -0.856   6.683
  127    HA   ILE  19           HA       ILE  19   0.377  -1.172   5.910
  128    HB   ILE  19           HB       ILE  19   0.899  -3.429   5.579
  129   1HG1  ILE  19          HG12      ILE  19   3.014  -3.239   7.746
  130   2HG1  ILE  19          HG11      ILE  19   1.389  -3.872   8.001
  131   1HG2  ILE  19          HG21      ILE  19   3.758  -2.839   5.643
  132   2HG2  ILE  19          HG22      ILE  19   2.817  -1.551   4.890
  133   3HG2  ILE  19          HG23      ILE  19   2.716  -3.198   4.265
  134   1HD1  ILE  19          HD11      ILE  19   3.376  -4.975   6.001
  135   2HD1  ILE  19          HD12      ILE  19   1.773  -5.625   6.346
  136   3HD1  ILE  19          HD13      ILE  19   3.033  -5.681   7.580
  137    H    ILE  20           HN       ILE  20  -1.424  -1.401   7.179
  138    HA   ILE  20           HA       ILE  20  -0.945  -2.077  10.062
  139    HB   ILE  20           HB       ILE  20  -3.017  -0.285   8.773
  140   1HG1  ILE  20          HG12      ILE  20  -0.936   0.844   9.222
  141   2HG1  ILE  20          HG11      ILE  20  -2.060   1.304  10.500
  142   1HG2  ILE  20          HG21      ILE  20  -3.143  -1.868  11.238
  143   2HG2  ILE  20          HG22      ILE  20  -4.428  -1.008  10.390
  144   3HG2  ILE  20          HG23      ILE  20  -3.382  -0.142  11.515
  145   1HD1  ILE  20          HD11      ILE  20   0.262  -0.603  10.642
  146   2HD1  ILE  20          HD12      ILE  20  -1.062  -0.712  11.801
  147   3HD1  ILE  20          HD13      ILE  20  -0.106   0.766  11.691
  148    H    TRP  21           HN       TRP  21  -1.122  -4.345   9.370
  149    HA   TRP  21           HA       TRP  21  -3.391  -5.467   8.110
  150   1HB   TRP  21          HB2       TRP  21  -2.795  -7.471   9.808
  151   2HB   TRP  21          HB1       TRP  21  -1.857  -7.140   8.359
  152    HD1  TRP  21           HD1      TRP  21   0.360  -8.069   9.383
  153    HE1  TRP  21           HE1      TRP  21   2.014  -7.146  11.129
  154    HE3  TRP  21           HE3      TRP  21  -2.482  -4.349  11.436
  155    HZ2  TRP  21           HZ2      TRP  21   2.122  -5.115  13.126
  156    HZ3  TRP  21           HZ3      TRP  21  -1.579  -2.943  13.262
  157    HH2  TRP  21           HH2      TRP  21   0.720  -3.319  14.110
  Start of MODEL    7
    1   1H    CYS   1           HT1      CYS   1   7.537  -3.515  -3.987
    2   2H    CYS   1           HT2      CYS   1   7.413  -2.815  -2.444
    3   3H    CYS   1           HT3      CYS   1   8.592  -2.265  -3.538
    4    HA   CYS   1           HA       CYS   1   5.938  -1.381  -3.216
    5   1HB   CYS   1          HB2       CYS   1   8.479  -0.562  -4.390
    6   2HB   CYS   1          HB1       CYS   1   7.109  -0.063  -5.381
    7    H    SER   2           HN       SER   2   4.277  -2.527  -4.157
    8    HA   SER   2           HA       SER   2   4.142  -2.587  -7.066
    9   1HB   SER   2          HB2       SER   2   4.035  -5.256  -5.649
   10   2HB   SER   2          HB1       SER   2   4.040  -4.956  -7.385
   11    HG   SER   2           HG       SER   2   6.151  -4.261  -7.231
   12    H    CYS   3           HN       CYS   3   2.211  -1.400  -6.738
   13    HA   CYS   3           HA       CYS   3  -0.064  -3.060  -5.774
   14   1HB   CYS   3          HB2       CYS   3   0.272  -1.657  -3.891
   15   2HB   CYS   3          HB1       CYS   3   0.666  -0.261  -4.892
   16    H    SER   4           HN       SER   4  -2.173  -2.219  -6.658
   17    HA   SER   4           HA       SER   4  -2.034  -1.705  -9.446
   18   1HB   SER   4          HB2       SER   4  -4.088  -2.587  -8.724
   19   2HB   SER   4          HB1       SER   4  -4.214  -1.445  -7.388
   20    HG   SER   4           HG       SER   4  -4.135  -0.492 -10.027
   21    H    SER   5           HN       SER   5  -2.987   0.542  -6.842
   22    HA   SER   5           HA       SER   5  -1.808   2.739  -8.469
   23   1HB   SER   5          HB2       SER   5  -3.831   3.687  -8.766
   24   2HB   SER   5          HB1       SER   5  -4.589   2.347  -7.914
   25    HG   SER   5           HG       SER   5  -4.016   4.891  -7.069
   26    H    LEU   6           HN       LEU   6  -0.246   3.687  -7.209
   27    HA   LEU   6           HA       LEU   6   0.212   3.087  -4.490
   28   1HB   LEU   6          HB2       LEU   6   1.229   5.130  -6.392
   29   2HB   LEU   6          HB1       LEU   6   1.451   5.474  -4.678
   30    HG   LEU   6           HG       LEU   6   2.389   3.139  -4.427
   31   1HD1  LEU   6          HD11      LEU   6   1.319   2.597  -6.808
   32   2HD1  LEU   6          HD12      LEU   6   2.778   1.779  -6.251
   33   3HD1  LEU   6          HD13      LEU   6   2.900   3.137  -7.370
   34   1HD2  LEU   6          HD21      LEU   6   4.591   3.756  -5.336
   35   2HD2  LEU   6          HD22      LEU   6   3.824   5.159  -4.592
   36   3HD2  LEU   6          HD23      LEU   6   3.838   4.989  -6.347
   37    H    MET   7           HN       MET   7  -2.182   5.244  -5.759
   38    HA   MET   7           HA       MET   7  -2.252   6.912  -3.351
   39   1HB   MET   7          HB2       MET   7  -2.798   7.862  -5.577
   40   2HB   MET   7          HB1       MET   7  -4.185   6.780  -5.689
   41   1HG   MET   7          HG2       MET   7  -5.188   7.805  -3.705
   42   2HG   MET   7          HG1       MET   7  -3.773   8.839  -3.501
   43   1HE   MET   7          HE1       MET   7  -3.732  11.166  -6.444
   44   2HE   MET   7          HE2       MET   7  -3.179   9.525  -6.769
   45   3HE   MET   7          HE3       MET   7  -2.838  10.267  -5.209
   46    H    ASP   8           HN       ASP   8  -3.388   3.828  -4.074
   47    HA   ASP   8           HA       ASP   8  -6.001   3.869  -2.915
   48   1HB   ASP   8          HB2       ASP   8  -4.617   1.947  -4.167
   49   2HB   ASP   8          HB1       ASP   8  -4.265   1.473  -2.507
   50    H    LYS   9           HN       LYS   9  -5.920   2.023  -0.821
   51    HA   LYS   9           HA       LYS   9  -4.456   3.565   1.286
   52   1HB   LYS   9          HB2       LYS   9  -7.034   2.006   1.657
   53   2HB   LYS   9          HB1       LYS   9  -6.264   3.080   2.824
   54   1HG   LYS   9          HG2       LYS   9  -7.212   4.038   0.107
   55   2HG   LYS   9          HG1       LYS   9  -8.235   4.081   1.543
   56   1HD   LYS   9          HD2       LYS   9  -7.315   6.136   1.856
   57   2HD   LYS   9          HD1       LYS   9  -5.955   5.226   2.511
   58   1HE   LYS   9          HE2       LYS   9  -4.622   5.743   0.754
   59   2HE   LYS   9          HE1       LYS   9  -5.904   5.435  -0.416
   60   1HZ   LYS   9          HZ1       LYS   9  -6.049   7.621  -0.645
   61   2HZ   LYS   9          HZ2       LYS   9  -5.017   7.908   0.673
   62   3HZ   LYS   9          HZ3       LYS   9  -6.683   7.696   0.926
   63    H    GLU  10           HN       GLU  10  -6.075   0.341   1.323
   64    HA   GLU  10           HA       GLU  10  -3.942  -0.769   2.910
   65   1HB   GLU  10          HB2       GLU  10  -6.463  -1.738   1.681
   66   2HB   GLU  10          HB1       GLU  10  -5.223  -2.960   1.975
   67   1HG   GLU  10          HG2       GLU  10  -5.040  -2.217   4.309
   68   2HG   GLU  10          HG1       GLU  10  -6.283  -1.001   4.019
   69    H    CYS  11           HN       CYS  11  -4.697  -0.740  -0.527
   70    HA   CYS  11           HA       CYS  11  -2.717  -2.737  -1.212
   71   1HB   CYS  11          HB2       CYS  11  -4.635  -2.164  -2.700
   72   2HB   CYS  11          HB1       CYS  11  -3.939  -0.562  -2.944
   73    H    VAL  12           HN       VAL  12  -2.580   0.443  -0.152
   74    HA   VAL  12           HA       VAL  12  -0.153   1.226  -1.575
   75    HB   VAL  12           HB       VAL  12  -1.899   2.419   0.563
   76   1HG1  VAL  12          HG11      VAL  12  -0.394   4.312   0.741
   77   2HG1  VAL  12          HG12      VAL  12   0.741   3.544  -0.371
   78   3HG1  VAL  12          HG13      VAL  12   0.449   2.839   1.220
   79   1HG2  VAL  12          HG21      VAL  12  -2.616   2.732  -1.714
   80   2HG2  VAL  12          HG22      VAL  12  -0.996   3.220  -2.209
   81   3HG2  VAL  12          HG23      VAL  12  -1.946   4.263  -1.151
   82    H    TYR  13           HN       TYR  13  -0.990  -0.084   1.618
   83    HA   TYR  13           HA       TYR  13   1.384   0.339   3.021
   84   1HB   TYR  13          HB2       TYR  13  -0.223  -2.231   2.997
   85   2HB   TYR  13          HB1       TYR  13   0.841  -1.674   4.286
   86    HD1  TYR  13           HD1      TYR  13   0.014   1.332   3.861
   87    HD2  TYR  13           HD2      TYR  13  -2.190  -2.305   4.467
   88    HE1  TYR  13           HE1      TYR  13  -1.856   2.630   4.846
   89    HE2  TYR  13           HE2      TYR  13  -4.060  -1.008   5.452
   90    HH   TYR  13           HH       TYR  13  -3.768   2.141   6.484
   91    H    PHE  14           HN       PHE  14   0.830  -1.788   0.308
   92    HA   PHE  14           HA       PHE  14   3.054  -3.531   0.684
   93   1HB   PHE  14          HB2       PHE  14   1.924  -2.628  -1.974
   94   2HB   PHE  14          HB1       PHE  14   2.748  -4.148  -1.619
   95    HD1  PHE  14           HD1      PHE  14  -0.113  -3.771  -2.772
   96    HD2  PHE  14           HD2      PHE  14   1.387  -4.384   1.207
   97    HE1  PHE  14           HE1      PHE  14  -2.274  -4.796  -2.112
   98    HE2  PHE  14           HE2      PHE  14  -0.773  -5.407   1.865
   99    HZ   PHE  14           HZ       PHE  14  -2.603  -5.613   0.206
  100    H    CYS  15           HN       CYS  15   2.840  -0.275  -0.634
  101    HA   CYS  15           HA       CYS  15   5.565  -0.362  -1.706
  102   1HB   CYS  15          HB2       CYS  15   3.295   1.340  -1.978
  103   2HB   CYS  15          HB1       CYS  15   4.631   2.322  -1.384
  104    H    HIS  16           HN       HIS  16   4.980  -0.770   1.292
  105    HA   HIS  16           HA       HIS  16   6.306  -0.335   3.195
  106   1HB   HIS  16          HB2       HIS  16   7.951   0.475   1.184
  107   2HB   HIS  16          HB1       HIS  16   7.696   2.003   2.028
  108    HD1  HIS  16           HD1      HIS  16   9.780   2.258   3.410
  109    HD2  HIS  16           HD2      HIS  16   8.146  -1.563   3.742
  110    HE1  HIS  16           HE1      HIS  16  11.118   1.059   5.194
  111    H    LEU  17           HN       LEU  17   3.719   0.851   2.801
  112    HA   LEU  17           HA       LEU  17   4.074   3.577   3.921
  113   1HB   LEU  17          HB2       LEU  17   1.727   2.207   2.597
  114   2HB   LEU  17          HB1       LEU  17   1.671   3.806   3.293
  115    HG   LEU  17           HG       LEU  17   2.093   4.203   0.997
  116   1HD1  LEU  17          HD11      LEU  17   3.813   5.125   2.805
  117   2HD1  LEU  17          HD12      LEU  17   4.061   5.410   1.081
  118   3HD1  LEU  17          HD13      LEU  17   4.942   4.118   1.898
  119   1HD2  LEU  17          HD21      LEU  17   4.464   2.720   0.446
  120   2HD2  LEU  17          HD22      LEU  17   2.870   2.522  -0.284
  121   3HD2  LEU  17          HD23      LEU  17   3.299   1.605   1.160
  122    H    ASP  18           HN       ASP  18   4.627   2.030   5.913
  123    HA   ASP  18           HA       ASP  18   3.939   1.025   7.940
  124   1HB   ASP  18          HB2       ASP  18   3.644   3.329   8.516
  125   2HB   ASP  18          HB1       ASP  18   2.143   3.434   7.598
  126    H    ILE  19           HN       ILE  19   3.061  -0.922   6.725
  127    HA   ILE  19           HA       ILE  19   0.318  -1.118   5.978
  128    HB   ILE  19           HB       ILE  19   0.713  -3.409   5.713
  129   1HG1  ILE  19          HG12      ILE  19   2.822  -3.271   7.889
  130   2HG1  ILE  19          HG11      ILE  19   1.166  -3.822   8.141
  131   1HG2  ILE  19          HG21      ILE  19   3.595  -3.022   5.754
  132   2HG2  ILE  19          HG22      ILE  19   2.762  -1.656   5.010
  133   3HG2  ILE  19          HG23      ILE  19   2.521  -3.286   4.381
  134   1HD1  ILE  19          HD11      ILE  19   2.904  -5.647   7.726
  135   2HD1  ILE  19          HD12      ILE  19   2.972  -5.062   6.064
  136   3HD1  ILE  19          HD13      ILE  19   1.460  -5.700   6.715
  137    H    ILE  20           HN       ILE  20  -1.497  -1.210   7.243
  138    HA   ILE  20           HA       ILE  20  -1.068  -1.835  10.146
  139    HB   ILE  20           HB       ILE  20  -3.035   0.027   8.796
  140   1HG1  ILE  20          HG12      ILE  20  -0.902   1.058   9.235
  141   2HG1  ILE  20          HG11      ILE  20  -2.011   1.608  10.489
  142   1HG2  ILE  20          HG21      ILE  20  -3.362  -1.545  11.201
  143   2HG2  ILE  20          HG22      ILE  20  -4.500  -0.429  10.444
  144   3HG2  ILE  20          HG23      ILE  20  -3.312   0.172  11.601
  145   1HD1  ILE  20          HD11      ILE  20  -0.217   0.989  11.809
  146   2HD1  ILE  20          HD12      ILE  20   0.291  -0.285  10.700
  147   3HD1  ILE  20          HD13      ILE  20  -1.095  -0.540  11.760
  148    H    TRP  21           HN       TRP  21  -1.358  -4.110   9.511
  149    HA   TRP  21           HA       TRP  21  -3.678  -5.145   8.271
  150   1HB   TRP  21          HB2       TRP  21  -3.188  -7.137  10.016
  151   2HB   TRP  21          HB1       TRP  21  -2.228  -6.885   8.566
  152    HD1  TRP  21           HD1      TRP  21  -0.069  -7.907   9.630
  153    HE1  TRP  21           HE1      TRP  21   1.623  -7.027  11.360
  154    HE3  TRP  21           HE3      TRP  21  -2.719  -3.988  11.567
  155    HZ2  TRP  21           HZ2      TRP  21   1.829  -4.952  13.305
  156    HZ3  TRP  21           HZ3      TRP  21  -1.751  -2.583  13.360
  157    HH2  TRP  21           HH2      TRP  21   0.520  -3.059  14.231
  Start of MODEL    8
    1   1H    CYS   1           HT1      CYS   1   8.092  -3.786  -3.880
    2   2H    CYS   1           HT2      CYS   1   8.470  -2.745  -2.592
    3   3H    CYS   1           HT3      CYS   1   8.764  -2.260  -4.194
    4    HA   CYS   1           HA       CYS   1   6.223  -2.419  -2.730
    5   1HB   CYS   1          HB2       CYS   1   7.228  -0.239  -2.921
    6   2HB   CYS   1          HB1       CYS   1   7.546  -0.474  -4.639
    7    H    SER   2           HN       SER   2   4.242  -2.316  -4.057
    8    HA   SER   2           HA       SER   2   4.109  -2.760  -6.837
    9   1HB   SER   2          HB2       SER   2   3.435  -5.346  -6.452
   10   2HB   SER   2          HB1       SER   2   5.061  -4.843  -6.907
   11    HG   SER   2           HG       SER   2   4.109  -5.205  -4.253
   12    H    CYS   3           HN       CYS   3   2.169  -1.651  -6.784
   13    HA   CYS   3           HA       CYS   3  -0.127  -3.105  -5.602
   14   1HB   CYS   3          HB2       CYS   3   0.310  -1.597  -3.818
   15   2HB   CYS   3          HB1       CYS   3   0.696  -0.274  -4.917
   16    H    SER   4           HN       SER   4  -2.214  -2.261  -6.507
   17    HA   SER   4           HA       SER   4  -2.085  -1.869  -9.324
   18   1HB   SER   4          HB2       SER   4  -4.133  -2.728  -8.543
   19   2HB   SER   4          HB1       SER   4  -4.258  -1.516  -7.270
   20    HG   SER   4           HG       SER   4  -4.845  -0.020  -8.741
   21    H    SER   5           HN       SER   5  -3.024   0.470  -6.795
   22    HA   SER   5           HA       SER   5  -1.830   2.606  -8.487
   23   1HB   SER   5          HB2       SER   5  -3.853   3.528  -8.860
   24   2HB   SER   5          HB1       SER   5  -4.623   2.239  -7.942
   25    HG   SER   5           HG       SER   5  -4.620   3.471  -6.183
   26    H    LEU   6           HN       LEU   6  -0.297   3.613  -7.238
   27    HA   LEU   6           HA       LEU   6   0.129   3.104  -4.497
   28   1HB   LEU   6          HB2       LEU   6   1.153   5.095  -6.448
   29   2HB   LEU   6          HB1       LEU   6   1.347   5.497  -4.743
   30    HG   LEU   6           HG       LEU   6   2.307   3.183  -4.402
   31   1HD1  LEU   6          HD11      LEU   6   3.005   1.902  -6.311
   32   2HD1  LEU   6          HD12      LEU   6   2.547   3.195  -7.419
   33   3HD1  LEU   6          HD13      LEU   6   1.303   2.293  -6.555
   34   1HD2  LEU   6          HD21      LEU   6   3.500   5.531  -5.262
   35   2HD2  LEU   6          HD22      LEU   6   4.138   4.331  -6.386
   36   3HD2  LEU   6          HD23      LEU   6   4.358   4.117  -4.650
   37    H    MET   7           HN       MET   7  -2.275   5.181  -5.861
   38    HA   MET   7           HA       MET   7  -2.391   6.943  -3.518
   39   1HB   MET   7          HB2       MET   7  -2.980   7.961  -5.604
   40   2HB   MET   7          HB1       MET   7  -4.121   6.674  -5.988
   41   1HG   MET   7          HG2       MET   7  -5.754   7.545  -4.652
   42   2HG   MET   7          HG1       MET   7  -4.605   8.068  -3.419
   43   1HE   MET   7          HE1       MET   7  -6.187   8.509  -6.729
   44   2HE   MET   7          HE2       MET   7  -4.622   8.973  -7.391
   45   3HE   MET   7          HE3       MET   7  -5.901  10.176  -7.249
   46    H    ASP   8           HN       ASP   8  -3.491   3.814  -4.151
   47    HA   ASP   8           HA       ASP   8  -6.090   3.859  -2.960
   48   1HB   ASP   8          HB2       ASP   8  -4.702   1.921  -4.184
   49   2HB   ASP   8          HB1       ASP   8  -4.330   1.488  -2.517
   50    H    LYS   9           HN       LYS   9  -5.938   2.040  -0.829
   51    HA   LYS   9           HA       LYS   9  -4.478   3.653   1.228
   52   1HB   LYS   9          HB2       LYS   9  -7.032   2.071   1.667
   53   2HB   LYS   9          HB1       LYS   9  -6.263   3.185   2.796
   54   1HG   LYS   9          HG2       LYS   9  -7.254   4.062   0.068
   55   2HG   LYS   9          HG1       LYS   9  -8.266   4.123   1.512
   56   1HD   LYS   9          HD2       LYS   9  -7.376   6.191   1.793
   57   2HD   LYS   9          HD1       LYS   9  -5.974   5.321   2.415
   58   1HE   LYS   9          HE2       LYS   9  -4.710   5.872   0.622
   59   2HE   LYS   9          HE1       LYS   9  -6.004   5.474  -0.509
   60   1HZ   LYS   9          HZ1       LYS   9  -6.357   7.874   1.104
   61   2HZ   LYS   9          HZ2       LYS   9  -6.780   7.579  -0.514
   62   3HZ   LYS   9          HZ3       LYS   9  -5.172   7.944  -0.107
   63    H    GLU  10           HN       GLU  10  -6.058   0.411   1.352
   64    HA   GLU  10           HA       GLU  10  -3.900  -0.641   2.942
   65   1HB   GLU  10          HB2       GLU  10  -6.420  -1.658   1.755
   66   2HB   GLU  10          HB1       GLU  10  -5.162  -2.864   2.047
   67   1HG   GLU  10          HG2       GLU  10  -4.959  -2.109   4.367
   68   2HG   GLU  10          HG1       GLU  10  -6.198  -0.886   4.084
   69    H    CYS  11           HN       CYS  11  -4.676  -0.676  -0.489
   70    HA   CYS  11           HA       CYS  11  -2.683  -2.663  -1.158
   71   1HB   CYS  11          HB2       CYS  11  -4.617  -2.134  -2.639
   72   2HB   CYS  11          HB1       CYS  11  -3.947  -0.527  -2.909
   73    H    VAL  12           HN       VAL  12  -2.585   0.552  -0.178
   74    HA   VAL  12           HA       VAL  12  -0.172   1.340  -1.617
   75    HB   VAL  12           HB       VAL  12  -1.909   2.531   0.530
   76   1HG1  VAL  12          HG11      VAL  12  -0.253   4.550   0.115
   77   2HG1  VAL  12          HG12      VAL  12   0.893   3.240  -0.178
   78   3HG1  VAL  12          HG13      VAL  12   0.058   3.353   1.373
   79   1HG2  VAL  12          HG21      VAL  12  -2.027   4.345  -1.209
   80   2HG2  VAL  12          HG22      VAL  12  -2.672   2.793  -1.741
   81   3HG2  VAL  12          HG23      VAL  12  -1.071   3.310  -2.269
   82    H    TYR  13           HN       TYR  13  -0.965   0.012   1.568
   83    HA   TYR  13           HA       TYR  13   1.399   0.494   2.972
   84   1HB   TYR  13          HB2       TYR  13  -0.148  -2.112   2.930
   85   2HB   TYR  13          HB1       TYR  13   0.921  -1.555   4.215
   86    HD1  TYR  13           HD1      TYR  13   0.007   1.447   3.798
   87    HD2  TYR  13           HD2      TYR  13  -2.070  -2.253   4.473
   88    HE1  TYR  13           HE1      TYR  13  -1.875   2.690   4.828
   89    HE2  TYR  13           HE2      TYR  13  -3.952  -1.008   5.502
   90    HH   TYR  13           HH       TYR  13  -4.079   1.430   6.747
   91    H    PHE  14           HN       PHE  14   0.903  -1.587   0.223
   92    HA   PHE  14           HA       PHE  14   3.159  -3.296   0.573
   93   1HB   PHE  14          HB2       PHE  14   2.020  -2.358  -2.070
   94   2HB   PHE  14          HB1       PHE  14   2.875  -3.869  -1.746
   95    HD1  PHE  14           HD1      PHE  14   0.016  -3.540  -2.907
   96    HD2  PHE  14           HD2      PHE  14   1.502  -4.185   1.072
   97    HE1  PHE  14           HE1      PHE  14  -2.124  -4.625  -2.281
   98    HE2  PHE  14           HE2      PHE  14  -0.638  -5.269   1.697
   99    HZ   PHE  14           HZ       PHE  14  -2.451  -5.488   0.021
  100    H    CYS  15           HN       CYS  15   2.882  -0.019  -0.686
  101    HA   CYS  15           HA       CYS  15   5.622  -0.023  -1.731
  102   1HB   CYS  15          HB2       CYS  15   3.331   1.580  -2.090
  103   2HB   CYS  15          HB1       CYS  15   4.529   2.623  -1.323
  104    H    HIS  16           HN       HIS  16   5.009  -0.501   1.252
  105    HA   HIS  16           HA       HIS  16   6.309  -0.077   3.174
  106   1HB   HIS  16          HB2       HIS  16   8.068   0.628   1.390
  107   2HB   HIS  16          HB1       HIS  16   7.578   2.275   1.788
  108    HD1  HIS  16           HD1      HIS  16   8.815  -0.867   3.558
  109    HD2  HIS  16           HD2      HIS  16   8.786   3.270   4.076
  110    HE1  HIS  16           HE1      HIS  16  10.206  -0.394   5.620
  111    H    LEU  17           HN       LEU  17   3.685   1.025   2.791
  112    HA   LEU  17           HA       LEU  17   3.938   3.729   3.992
  113   1HB   LEU  17          HB2       LEU  17   1.657   2.324   2.595
  114   2HB   LEU  17          HB1       LEU  17   1.536   3.899   3.336
  115    HG   LEU  17           HG       LEU  17   1.983   4.382   1.063
  116   1HD1  LEU  17          HD11      LEU  17   3.567   5.424   2.831
  117   2HD1  LEU  17          HD12      LEU  17   4.032   5.541   1.133
  118   3HD1  LEU  17          HD13      LEU  17   4.783   4.330   2.173
  119   1HD2  LEU  17          HD21      LEU  17   4.403   2.980   0.511
  120   2HD2  LEU  17          HD22      LEU  17   2.830   2.767  -0.256
  121   3HD2  LEU  17          HD23      LEU  17   3.253   1.816   1.167
  122    H    ASP  18           HN       ASP  18   4.523   2.155   5.944
  123    HA   ASP  18           HA       ASP  18   3.854   1.078   7.940
  124   1HB   ASP  18          HB2       ASP  18   3.464   3.353   8.565
  125   2HB   ASP  18          HB1       ASP  18   1.968   3.422   7.633
  126    H    ILE  19           HN       ILE  19   3.066  -0.888   6.709
  127    HA   ILE  19           HA       ILE  19   0.331  -1.163   5.928
  128    HB   ILE  19           HB       ILE  19   0.822  -3.426   5.591
  129   1HG1  ILE  19          HG12      ILE  19   2.928  -3.266   7.769
  130   2HG1  ILE  19          HG11      ILE  19   1.297  -3.894   8.006
  131   1HG2  ILE  19          HG21      ILE  19   3.685  -2.903   5.651
  132   2HG2  ILE  19          HG22      ILE  19   2.785  -1.565   4.936
  133   3HG2  ILE  19          HG23      ILE  19   2.628  -3.191   4.269
  134   1HD1  ILE  19          HD11      ILE  19   2.981  -5.008   5.793
  135   2HD1  ILE  19          HD12      ILE  19   1.680  -5.777   6.702
  136   3HD1  ILE  19          HD13      ILE  19   3.261  -5.549   7.448
  137    H    ILE  20           HN       ILE  20  -1.478  -1.372   7.189
  138    HA   ILE  20           HA       ILE  20  -1.023  -2.076  10.068
  139    HB   ILE  20           HB       ILE  20  -3.051  -0.233   8.784
  140   1HG1  ILE  20          HG12      ILE  20  -0.956   0.850   9.273
  141   2HG1  ILE  20          HG11      ILE  20  -2.084   1.314  10.545
  142   1HG2  ILE  20          HG21      ILE  20  -3.383  -0.168  11.565
  143   2HG2  ILE  20          HG22      ILE  20  -3.291  -1.884  11.168
  144   3HG2  ILE  20          HG23      ILE  20  -4.503  -0.863  10.393
  145   1HD1  ILE  20          HD11      ILE  20  -1.127  -0.776  11.798
  146   2HD1  ILE  20          HD12      ILE  20  -0.191   0.718  11.779
  147   3HD1  ILE  20          HD13      ILE  20   0.227  -0.599  10.683
  148    H    TRP  21           HN       TRP  21  -1.236  -4.324   9.417
  149    HA   TRP  21           HA       TRP  21  -3.523  -5.412   8.131
  150   1HB   TRP  21          HB2       TRP  21  -2.904  -7.462   9.750
  151   2HB   TRP  21          HB1       TRP  21  -1.965  -7.077   8.317
  152    HD1  TRP  21           HD1      TRP  21   0.226  -8.082   9.352
  153    HE1  TRP  21           HE1      TRP  21   1.889  -7.207  11.112
  154    HE3  TRP  21           HE3      TRP  21  -2.558  -4.338  11.439
  155    HZ2  TRP  21           HZ2      TRP  21   2.027  -5.199  13.133
  156    HZ3  TRP  21           HZ3      TRP  21  -1.638  -2.967  13.282
  157    HH2  TRP  21           HH2      TRP  21   0.650  -3.389  14.130
  Start of MODEL    9
    1   1H    CYS   1           HT1      CYS   1   7.857  -3.555  -4.833
    2   2H    CYS   1           HT2      CYS   1   6.673  -4.250  -3.832
    3   3H    CYS   1           HT3      CYS   1   8.016  -3.467  -3.146
    4    HA   CYS   1           HA       CYS   1   5.780  -2.230  -3.216
    5   1HB   CYS   1          HB2       CYS   1   7.814  -1.133  -2.511
    6   2HB   CYS   1          HB1       CYS   1   8.413  -1.070  -4.167
    7    H    SER   2           HN       SER   2   4.155  -2.230  -4.696
    8    HA   SER   2           HA       SER   2   4.205  -0.726  -7.067
    9   1HB   SER   2          HB2       SER   2   5.683  -3.059  -7.435
   10   2HB   SER   2          HB1       SER   2   4.115  -3.441  -8.141
   11    HG   SER   2           HG       SER   2   5.551  -1.050  -8.665
   12    H    CYS   3           HN       CYS   3   2.075  -0.208  -6.622
   13    HA   CYS   3           HA       CYS   3   0.131  -2.483  -6.634
   14   1HB   CYS   3          HB2       CYS   3  -0.003  -1.518  -4.461
   15   2HB   CYS   3          HB1       CYS   3   0.118   0.122  -5.093
   16    H    SER   4           HN       SER   4  -2.015  -1.876  -7.612
   17    HA   SER   4           HA       SER   4  -1.797  -0.781 -10.184
   18   1HB   SER   4          HB2       SER   4  -3.763  -2.047  -9.631
   19   2HB   SER   4          HB1       SER   4  -4.176  -0.948  -8.319
   20    HG   SER   4           HG       SER   4  -5.162   0.241  -9.731
   21    H    SER   5           HN       SER   5  -2.950   0.838  -7.228
   22    HA   SER   5           HA       SER   5  -2.255   3.430  -8.541
   23   1HB   SER   5          HB2       SER   5  -4.367   4.140  -8.189
   24   2HB   SER   5          HB1       SER   5  -4.783   2.557  -7.541
   25    HG   SER   5           HG       SER   5  -4.335   3.261  -5.522
   26    H    LEU   6           HN       LEU   6  -0.486   4.262  -7.481
   27    HA   LEU   6           HA       LEU   6   0.518   3.278  -5.020
   28   1HB   LEU   6          HB2       LEU   6   1.116   5.615  -6.758
   29   2HB   LEU   6          HB1       LEU   6   1.667   5.712  -5.086
   30    HG   LEU   6           HG       LEU   6   2.658   3.401  -5.385
   31   1HD1  LEU   6          HD11      LEU   6   1.299   3.683  -7.910
   32   2HD1  LEU   6          HD12      LEU   6   2.124   2.270  -7.252
   33   3HD1  LEU   6          HD13      LEU   6   3.026   3.461  -8.188
   34   1HD2  LEU   6          HD21      LEU   6   4.600   4.485  -5.786
   35   2HD2  LEU   6          HD22      LEU   6   3.637   5.932  -6.087
   36   3HD2  LEU   6          HD23      LEU   6   4.102   4.885  -7.430
   37    H    MET   7           HN       MET   7  -2.098   5.517  -5.492
   38    HA   MET   7           HA       MET   7  -1.765   6.569  -2.733
   39   1HB   MET   7          HB2       MET   7  -2.153   8.233  -4.481
   40   2HB   MET   7          HB1       MET   7  -3.623   7.398  -4.982
   41   1HG   MET   7          HG2       MET   7  -4.820   8.464  -3.407
   42   2HG   MET   7          HG1       MET   7  -3.722   7.916  -2.142
   43   1HE   MET   7          HE1       MET   7  -4.302   9.982  -5.034
   44   2HE   MET   7          HE2       MET   7  -3.224  11.374  -4.974
   45   3HE   MET   7          HE3       MET   7  -4.753  11.414  -4.098
   46    H    ASP   8           HN       ASP   8  -2.744   3.762  -3.331
   47    HA   ASP   8           HA       ASP   8  -5.605   3.827  -2.719
   48   1HB   ASP   8          HB2       ASP   8  -4.010   1.943  -3.887
   49   2HB   ASP   8          HB1       ASP   8  -4.103   1.319  -2.241
   50    H    LYS   9           HN       LYS   9  -5.899   1.889  -0.772
   51    HA   LYS   9           HA       LYS   9  -4.715   3.270   1.597
   52   1HB   LYS   9          HB2       LYS   9  -7.151   1.457   1.534
   53   2HB   LYS   9          HB1       LYS   9  -6.608   2.451   2.884
   54   1HG   LYS   9          HG2       LYS   9  -7.408   3.594   0.188
   55   2HG   LYS   9          HG1       LYS   9  -8.515   3.451   1.553
   56   1HD   LYS   9          HD2       LYS   9  -7.739   5.596   1.913
   57   2HD   LYS   9          HD1       LYS   9  -6.539   4.690   2.836
   58   1HE   LYS   9          HE2       LYS   9  -4.868   5.114   1.332
   59   2HE   LYS   9          HE1       LYS   9  -5.956   5.028  -0.053
   60   1HZ   LYS   9          HZ1       LYS   9  -5.505   7.293   1.790
   61   2HZ   LYS   9          HZ2       LYS   9  -6.897   7.201   0.821
   62   3HZ   LYS   9          HZ3       LYS   9  -5.360   7.261   0.101
   63    H    GLU  10           HN       GLU  10  -6.000  -0.082   1.250
   64    HA   GLU  10           HA       GLU  10  -3.774  -1.064   2.851
   65   1HB   GLU  10          HB2       GLU  10  -5.535  -2.915   1.292
   66   2HB   GLU  10          HB1       GLU  10  -4.920  -3.079   2.937
   67   1HG   GLU  10          HG2       GLU  10  -6.405  -1.069   3.516
   68   2HG   GLU  10          HG1       GLU  10  -7.186  -1.346   1.959
   69    H    CYS  11           HN       CYS  11  -4.604  -0.960  -0.564
   70    HA   CYS  11           HA       CYS  11  -2.594  -2.806  -1.466
   71   1HB   CYS  11          HB2       CYS  11  -4.592  -1.851  -2.787
   72   2HB   CYS  11          HB1       CYS  11  -3.597  -0.414  -3.019
   73    H    VAL  12           HN       VAL  12  -2.551   0.355  -0.214
   74    HA   VAL  12           HA       VAL  12  -0.032   1.186  -1.414
   75    HB   VAL  12           HB       VAL  12  -1.947   2.279   0.626
   76   1HG1  VAL  12          HG11      VAL  12  -0.237   3.224   1.740
   77   2HG1  VAL  12          HG12      VAL  12  -0.052   4.250   0.317
   78   3HG1  VAL  12          HG13      VAL  12   0.927   2.792   0.488
   79   1HG2  VAL  12          HG21      VAL  12  -0.792   3.195  -2.011
   80   2HG2  VAL  12          HG22      VAL  12  -1.830   4.201  -1.000
   81   3HG2  VAL  12          HG23      VAL  12  -2.451   2.699  -1.684
   82    H    TYR  13           HN       TYR  13  -1.092  -0.251   1.646
   83    HA   TYR  13           HA       TYR  13   1.318   0.092   3.111
   84   1HB   TYR  13          HB2       TYR  13  -0.696  -2.172   3.246
   85   2HB   TYR  13          HB1       TYR  13   0.505  -1.797   4.483
   86    HD1  TYR  13           HD1      TYR  13   0.364   1.248   4.210
   87    HD2  TYR  13           HD2      TYR  13  -2.681  -1.764   4.541
   88    HE1  TYR  13           HE1      TYR  13  -1.178   2.917   5.199
   89    HE2  TYR  13           HE2      TYR  13  -4.224  -0.092   5.532
   90    HH   TYR  13           HH       TYR  13  -3.207   2.868   6.718
   91    H    PHE  14           HN       PHE  14   0.480  -2.060   0.520
   92    HA   PHE  14           HA       PHE  14   2.458  -4.067   1.026
   93   1HB   PHE  14          HB2       PHE  14   1.383  -3.231  -1.679
   94   2HB   PHE  14          HB1       PHE  14   2.036  -4.807  -1.228
   95    HD1  PHE  14           HD1      PHE  14   0.610  -4.375   1.671
   96    HD2  PHE  14           HD2      PHE  14  -0.693  -4.504  -2.422
   97    HE1  PHE  14           HE1      PHE  14  -1.642  -5.098   2.412
   98    HE2  PHE  14           HE2      PHE  14  -2.946  -5.227  -1.678
   99    HZ   PHE  14           HZ       PHE  14  -3.419  -5.523   0.738
  100    H    CYS  15           HN       CYS  15   2.643  -0.883  -0.473
  101    HA   CYS  15           HA       CYS  15   5.303  -1.415  -1.603
  102   1HB   CYS  15          HB2       CYS  15   3.306   0.693  -1.762
  103   2HB   CYS  15          HB1       CYS  15   4.921   1.351  -1.545
  104    H    HIS  16           HN       HIS  16   4.755  -1.578   1.423
  105    HA   HIS  16           HA       HIS  16   6.179  -1.221   3.271
  106   1HB   HIS  16          HB2       HIS  16   7.812  -0.600   1.101
  107   2HB   HIS  16          HB1       HIS  16   7.886   0.842   2.114
  108    HD1  HIS  16           HD1      HIS  16   9.300  -2.480   1.797
  109    HD2  HIS  16           HD2      HIS  16   8.514   0.111   4.968
  110    HE1  HIS  16           HE1      HIS  16  10.684  -3.300   3.753
  111    H    LEU  17           HN       LEU  17   3.764   0.259   2.906
  112    HA   LEU  17           HA       LEU  17   4.518   2.978   3.854
  113   1HB   LEU  17          HB2       LEU  17   2.087   1.860   2.481
  114   2HB   LEU  17          HB1       LEU  17   2.029   3.378   3.342
  115    HG   LEU  17           HG       LEU  17   4.262   3.809   1.908
  116   1HD1  LEU  17          HD11      LEU  17   3.531   1.413   0.874
  117   2HD1  LEU  17          HD12      LEU  17   4.394   2.639  -0.055
  118   3HD1  LEU  17          HD13      LEU  17   2.643   2.491  -0.204
  119   1HD2  LEU  17          HD21      LEU  17   2.024   4.347   0.170
  120   2HD2  LEU  17          HD22      LEU  17   2.946   5.478   1.163
  121   3HD2  LEU  17          HD23      LEU  17   1.552   4.638   1.844
  122    H    ASP  18           HN       ASP  18   4.904   1.478   5.903
  123    HA   ASP  18           HA       ASP  18   4.139   0.662   7.990
  124   1HB   ASP  18          HB2       ASP  18   4.192   3.008   8.463
  125   2HB   ASP  18          HB1       ASP  18   2.691   3.285   7.579
  126    H    ILE  19           HN       ILE  19   2.957  -1.171   6.824
  127    HA   ILE  19           HA       ILE  19   0.200  -1.023   6.167
  128    HB   ILE  19           HB       ILE  19   0.255  -3.365   6.039
  129   1HG1  ILE  19          HG12      ILE  19   2.457  -3.389   8.128
  130   2HG1  ILE  19          HG11      ILE  19   0.755  -3.704   8.466
  131   1HG2  ILE  19          HG21      ILE  19   2.309  -2.006   4.960
  132   2HG2  ILE  19          HG22      ILE  19   2.124  -3.751   4.775
  133   3HG2  ILE  19          HG23      ILE  19   3.214  -3.106   6.001
  134   1HD1  ILE  19          HD11      ILE  19   1.081  -5.447   6.464
  135   2HD1  ILE  19          HD12      ILE  19   1.438  -5.869   8.139
  136   3HD1  ILE  19          HD13      ILE  19   2.745  -5.404   7.050
  137    H    ILE  20           HN       ILE  20  -1.582  -0.798   7.469
  138    HA   ILE  20           HA       ILE  20  -1.171  -1.325  10.392
  139    HB   ILE  20           HB       ILE  20  -2.903   0.710   8.972
  140   1HG1  ILE  20          HG12      ILE  20  -0.643   1.468   9.325
  141   2HG1  ILE  20          HG11      ILE  20  -1.642   2.226  10.564
  142   1HG2  ILE  20          HG21      ILE  20  -3.077   1.010  11.786
  143   2HG2  ILE  20          HG22      ILE  20  -3.412  -0.686  11.442
  144   3HG2  ILE  20          HG23      ILE  20  -4.373   0.575  10.671
  145   1HD1  ILE  20          HD11      ILE  20   0.478   0.180  10.847
  146   2HD1  ILE  20          HD12      ILE  20  -0.957  -0.070  11.842
  147   3HD1  ILE  20          HD13      ILE  20  -0.039   1.430  11.979
  148    H    TRP  21           HN       TRP  21  -1.771  -3.572   9.885
  149    HA   TRP  21           HA       TRP  21  -4.241  -4.351   8.748
  150   1HB   TRP  21          HB2       TRP  21  -3.970  -6.300  10.584
  151   2HB   TRP  21          HB1       TRP  21  -3.022  -6.249   9.105
  152    HD1  TRP  21           HD1      TRP  21  -0.995  -7.499  10.187
  153    HE1  TRP  21           HE1      TRP  21   0.843  -6.767  11.835
  154    HE3  TRP  21           HE3      TRP  21  -3.047  -3.164  11.953
  155    HZ2  TRP  21           HZ2      TRP  21   1.375  -4.640  13.660
  156    HZ3  TRP  21           HZ3      TRP  21  -1.856  -1.811  13.649
  157    HH2  TRP  21           HH2      TRP  21   0.352  -2.542  14.505
  Start of MODEL   10
    1   1H    CYS   1           HT1      CYS   1   8.667  -3.897  -5.364
    2   2H    CYS   1           HT2      CYS   1   8.852  -3.007  -3.928
    3   3H    CYS   1           HT3      CYS   1   8.603  -2.203  -5.404
    4    HA   CYS   1           HA       CYS   1   6.558  -4.126  -4.661
    5   1HB   CYS   1          HB2       CYS   1   5.530  -2.710  -3.011
    6   2HB   CYS   1          HB1       CYS   1   7.202  -2.947  -2.507
    7    H    SER   2           HN       SER   2   4.388  -2.741  -4.995
    8    HA   SER   2           HA       SER   2   4.198  -0.438  -6.510
    9   1HB   SER   2          HB2       SER   2   5.560  -1.070  -8.281
   10   2HB   SER   2          HB1       SER   2   5.135  -2.773  -8.136
   11    HG   SER   2           HG       SER   2   3.510  -0.658  -9.117
   12    H    CYS   3           HN       CYS   3   2.048  -0.086  -6.328
   13    HA   CYS   3           HA       CYS   3   0.219  -2.435  -6.619
   14   1HB   CYS   3          HB2       CYS   3  -0.056  -1.612  -4.404
   15   2HB   CYS   3          HB1       CYS   3   0.026   0.070  -4.927
   16    H    SER   4           HN       SER   4  -1.923  -1.877  -7.642
   17    HA   SER   4           HA       SER   4  -1.736  -0.739 -10.158
   18   1HB   SER   4          HB2       SER   4  -3.741  -1.925  -9.567
   19   2HB   SER   4          HB1       SER   4  -4.097  -0.793  -8.266
   20    HG   SER   4           HG       SER   4  -4.490  -0.576 -10.995
   21    H    SER   5           HN       SER   5  -2.860   0.953  -7.229
   22    HA   SER   5           HA       SER   5  -1.918   3.486  -8.494
   23   1HB   SER   5          HB2       SER   5  -4.019   4.302  -8.465
   24   2HB   SER   5          HB1       SER   5  -4.608   2.778  -7.811
   25    HG   SER   5           HG       SER   5  -4.681   3.643  -5.886
   26    H    LEU   6           HN       LEU   6  -0.278   4.258  -7.205
   27    HA   LEU   6           HA       LEU   6   0.342   3.259  -4.623
   28   1HB   LEU   6          HB2       LEU   6   1.263   5.555  -6.275
   29   2HB   LEU   6          HB1       LEU   6   1.591   5.642  -4.546
   30    HG   LEU   6           HG       LEU   6   2.514   3.286  -4.708
   31   1HD1  LEU   6          HD11      LEU   6   2.649   3.860  -7.671
   32   2HD1  LEU   6          HD12      LEU   6   1.339   2.914  -6.964
   33   3HD1  LEU   6          HD13      LEU   6   3.004   2.349  -6.835
   34   1HD2  LEU   6          HD21      LEU   6   3.868   5.440  -6.364
   35   2HD2  LEU   6          HD22      LEU   6   4.670   4.042  -5.649
   36   3HD2  LEU   6          HD23      LEU   6   3.969   5.283  -4.611
   37    H    MET   7           HN       MET   7  -2.107   5.566  -5.453
   38    HA   MET   7           HA       MET   7  -2.041   6.867  -2.823
   39   1HB   MET   7          HB2       MET   7  -2.636   8.159  -4.852
   40   2HB   MET   7          HB1       MET   7  -4.044   7.125  -5.088
   41   1HG   MET   7          HG2       MET   7  -4.972   7.844  -2.940
   42   2HG   MET   7          HG1       MET   7  -3.533   8.813  -2.622
   43   1HE   MET   7          HE1       MET   7  -6.869  10.784  -3.315
   44   2HE   MET   7          HE2       MET   7  -6.480   9.227  -2.588
   45   3HE   MET   7          HE3       MET   7  -7.248   9.283  -4.172
   46    H    ASP   8           HN       ASP   8  -3.231   3.945  -3.939
   47    HA   ASP   8           HA       ASP   8  -5.831   3.763  -2.852
   48   1HB   ASP   8          HB2       ASP   8  -4.291   1.985  -4.125
   49   2HB   ASP   8          HB1       ASP   8  -3.975   1.447  -2.476
   50    H    LYS   9           HN       LYS   9  -5.791   1.837  -0.839
   51    HA   LYS   9           HA       LYS   9  -4.497   3.337   1.405
   52   1HB   LYS   9          HB2       LYS   9  -6.960   1.621   1.733
   53   2HB   LYS   9          HB1       LYS   9  -6.356   2.885   2.800
   54   1HG   LYS   9          HG2       LYS   9  -7.582   3.273   0.048
   55   2HG   LYS   9          HG1       LYS   9  -8.288   3.745   1.590
   56   1HD   LYS   9          HD2       LYS   9  -5.924   4.955   0.160
   57   2HD   LYS   9          HD1       LYS   9  -7.376   5.753   0.765
   58   1HE   LYS   9          HE2       LYS   9  -6.421   4.732   3.083
   59   2HE   LYS   9          HE1       LYS   9  -4.904   4.970   2.217
   60   1HZ   LYS   9          HZ1       LYS   9  -6.997   7.017   2.709
   61   2HZ   LYS   9          HZ2       LYS   9  -5.609   7.263   1.762
   62   3HZ   LYS   9          HZ3       LYS   9  -5.462   6.951   3.426
   63    H    GLU  10           HN       GLU  10  -6.006   0.069   1.327
   64    HA   GLU  10           HA       GLU  10  -3.818  -0.990   2.890
   65   1HB   GLU  10          HB2       GLU  10  -5.652  -2.780   1.338
   66   2HB   GLU  10          HB1       GLU  10  -5.040  -2.965   2.982
   67   1HG   GLU  10          HG2       GLU  10  -6.434  -0.871   3.538
   68   2HG   GLU  10          HG1       GLU  10  -7.246  -1.163   2.000
   69    H    CYS  11           HN       CYS  11  -4.621  -0.879  -0.522
   70    HA   CYS  11           HA       CYS  11  -2.664  -2.810  -1.387
   71   1HB   CYS  11          HB2       CYS  11  -4.633  -1.823  -2.734
   72   2HB   CYS  11          HB1       CYS  11  -3.592  -0.424  -2.993
   73    H    VAL  12           HN       VAL  12  -2.552   0.378  -0.198
   74    HA   VAL  12           HA       VAL  12  -0.003   1.119  -1.396
   75    HB   VAL  12           HB       VAL  12  -1.880   2.299   0.636
   76   1HG1  VAL  12          HG11      VAL  12   0.076   4.205   0.254
   77   2HG1  VAL  12          HG12      VAL  12   1.001   2.720   0.475
   78   3HG1  VAL  12          HG13      VAL  12  -0.147   3.237   1.710
   79   1HG2  VAL  12          HG21      VAL  12  -1.739   4.185  -1.024
   80   2HG2  VAL  12          HG22      VAL  12  -2.398   2.686  -1.679
   81   3HG2  VAL  12          HG23      VAL  12  -0.730   3.143  -2.028
   82    H    TYR  13           HN       TYR  13  -1.115  -0.249   1.676
   83    HA   TYR  13           HA       TYR  13   1.299   0.047   3.145
   84   1HB   TYR  13          HB2       TYR  13  -0.777  -2.158   3.303
   85   2HB   TYR  13          HB1       TYR  13   0.431  -1.800   4.537
   86    HD1  TYR  13           HD1      TYR  13  -2.752  -1.678   4.593
   87    HD2  TYR  13           HD2      TYR  13   0.375   1.244   4.218
   88    HE1  TYR  13           HE1      TYR  13  -4.247   0.050   5.556
   89    HE2  TYR  13           HE2      TYR  13  -1.120   2.970   5.180
   90    HH   TYR  13           HH       TYR  13  -3.118   3.064   6.633
   91    H    PHE  14           HN       PHE  14   0.434  -2.078   0.552
   92    HA   PHE  14           HA       PHE  14   2.343  -4.145   1.096
   93   1HB   PHE  14          HB2       PHE  14   1.301  -3.293  -1.617
   94   2HB   PHE  14          HB1       PHE  14   1.931  -4.879  -1.168
   95    HD1  PHE  14           HD1      PHE  14   0.508  -4.423   1.731
   96    HD2  PHE  14           HD2      PHE  14  -0.792  -4.544  -2.361
   97    HE1  PHE  14           HE1      PHE  14  -1.753  -5.110   2.472
   98    HE2  PHE  14           HE2      PHE  14  -3.056  -5.233  -1.618
   99    HZ   PHE  14           HZ       PHE  14  -3.536  -5.515   0.799
  100    H    CYS  15           HN       CYS  15   2.634  -0.975  -0.426
  101    HA   CYS  15           HA       CYS  15   5.289  -1.589  -1.518
  102   1HB   CYS  15          HB2       CYS  15   3.353   0.526  -1.785
  103   2HB   CYS  15          HB1       CYS  15   4.924   1.212  -1.393
  104    H    HIS  16           HN       HIS  16   4.711  -1.734   1.503
  105    HA   HIS  16           HA       HIS  16   6.121  -1.407   3.367
  106   1HB   HIS  16          HB2       HIS  16   7.822  -0.946   1.255
  107   2HB   HIS  16          HB1       HIS  16   7.879   0.594   2.114
  108    HD1  HIS  16           HD1      HIS  16  10.435  -0.387   2.586
  109    HD2  HIS  16           HD2      HIS  16   7.286  -2.184   4.642
  110    HE1  HIS  16           HE1      HIS  16  11.467  -1.615   4.546
  111    H    LEU  17           HN       LEU  17   3.761   0.146   2.946
  112    HA   LEU  17           HA       LEU  17   4.579   2.854   3.872
  113   1HB   LEU  17          HB2       LEU  17   2.128   1.781   2.496
  114   2HB   LEU  17          HB1       LEU  17   2.108   3.315   3.329
  115    HG   LEU  17           HG       LEU  17   4.365   3.647   1.900
  116   1HD1  LEU  17          HD11      LEU  17   2.709   2.357  -0.197
  117   2HD1  LEU  17          HD12      LEU  17   3.559   1.265   0.897
  118   3HD1  LEU  17          HD13      LEU  17   4.463   2.450  -0.045
  119   1HD2  LEU  17          HD21      LEU  17   3.111   5.353   1.132
  120   2HD2  LEU  17          HD22      LEU  17   1.685   4.571   1.815
  121   3HD2  LEU  17          HD23      LEU  17   2.157   4.243   0.147
  122    H    ASP  18           HN       ASP  18   4.906   1.368   5.944
  123    HA   ASP  18           HA       ASP  18   4.102   0.603   8.035
  124   1HB   ASP  18          HB2       ASP  18   4.217   2.953   8.476
  125   2HB   ASP  18          HB1       ASP  18   2.731   3.259   7.576
  126    H    ILE  19           HN       ILE  19   2.879  -1.219   6.903
  127    HA   ILE  19           HA       ILE  19   0.130  -0.997   6.218
  128    HB   ILE  19           HB       ILE  19   0.120  -3.338   6.110
  129   1HG1  ILE  19          HG12      ILE  19   2.297  -3.409   8.223
  130   2HG1  ILE  19          HG11      ILE  19   0.583  -3.669   8.547
  131   1HG2  ILE  19          HG21      ILE  19   1.880  -3.612   4.734
  132   2HG2  ILE  19          HG22      ILE  19   3.031  -3.411   6.054
  133   3HG2  ILE  19          HG23      ILE  19   2.387  -1.995   5.223
  134   1HD1  ILE  19          HD11      ILE  19   2.441  -5.618   7.797
  135   2HD1  ILE  19          HD12      ILE  19   1.488  -5.322   6.342
  136   3HD1  ILE  19          HD13      ILE  19   0.687  -5.797   7.840
  137    H    ILE  20           HN       ILE  20  -1.651  -0.705   7.505
  138    HA   ILE  20           HA       ILE  20  -1.275  -1.214  10.437
  139    HB   ILE  20           HB       ILE  20  -2.935   0.858   8.985
  140   1HG1  ILE  20          HG12      ILE  20  -0.656   1.550   9.344
  141   2HG1  ILE  20          HG11      ILE  20  -1.638   2.351  10.569
  142   1HG2  ILE  20          HG21      ILE  20  -3.247   1.339  11.682
  143   2HG2  ILE  20          HG22      ILE  20  -3.340  -0.421  11.603
  144   3HG2  ILE  20          HG23      ILE  20  -4.449   0.566  10.650
  145   1HD1  ILE  20          HD11      ILE  20  -0.060   1.522  11.995
  146   2HD1  ILE  20          HD12      ILE  20   0.411   0.236  10.884
  147   3HD1  ILE  20          HD13      ILE  20  -1.033   0.057  11.880
  148    H    TRP  21           HN       TRP  21  -1.941  -3.446   9.948
  149    HA   TRP  21           HA       TRP  21  -4.426  -4.161   8.802
  150   1HB   TRP  21          HB2       TRP  21  -4.227  -6.098  10.659
  151   2HB   TRP  21          HB1       TRP  21  -3.268  -6.092   9.187
  152    HD1  TRP  21           HD1      TRP  21  -1.288  -7.390  10.295
  153    HE1  TRP  21           HE1      TRP  21   0.561  -6.698  11.948
  154    HE3  TRP  21           HE3      TRP  21  -3.218  -2.977  12.002
  155    HZ2  TRP  21           HZ2      TRP  21   1.144  -4.570  13.755
  156    HZ3  TRP  21           HZ3      TRP  21  -1.999  -1.644  13.694
  157    HH2  TRP  21           HH2      TRP  21   0.182  -2.433  14.571
  Start of MODEL   11
    1   1H    CYS   1           HT1      CYS   1   8.226  -3.259  -2.612
    2   2H    CYS   1           HT2      CYS   1   8.822  -2.037  -3.632
    3   3H    CYS   1           HT3      CYS   1   8.233  -3.487  -4.293
    4    HA   CYS   1           HA       CYS   1   6.211  -2.387  -2.700
    5   1HB   CYS   1          HB2       CYS   1   7.225  -0.217  -2.932
    6   2HB   CYS   1          HB1       CYS   1   7.551  -0.488  -4.644
    7    H    SER   2           HN       SER   2   4.232  -2.297  -4.031
    8    HA   SER   2           HA       SER   2   4.094  -2.793  -6.801
    9   1HB   SER   2          HB2       SER   2   3.558  -5.291  -6.702
   10   2HB   SER   2          HB1       SER   2   5.257  -4.858  -6.535
   11    HG   SER   2           HG       SER   2   3.801  -6.256  -4.872
   12    H    CYS   3           HN       CYS   3   2.155  -1.680  -6.764
   13    HA   CYS   3           HA       CYS   3  -0.143  -3.112  -5.568
   14   1HB   CYS   3          HB2       CYS   3   0.303  -1.597  -3.791
   15   2HB   CYS   3          HB1       CYS   3   0.687  -0.280  -4.897
   16    H    SER   4           HN       SER   4  -2.227  -2.265  -6.475
   17    HA   SER   4           HA       SER   4  -2.098  -1.886  -9.294
   18   1HB   SER   4          HB2       SER   4  -4.152  -2.728  -8.517
   19   2HB   SER   4          HB1       SER   4  -4.266  -1.522  -7.238
   20    HG   SER   4           HG       SER   4  -4.179  -0.668  -9.902
   21    H    SER   5           HN       SER   5  -3.024   0.469  -6.775
   22    HA   SER   5           HA       SER   5  -1.816   2.592  -8.474
   23   1HB   SER   5          HB2       SER   5  -3.833   3.523  -8.859
   24   2HB   SER   5          HB1       SER   5  -4.613   2.241  -7.941
   25    HG   SER   5           HG       SER   5  -4.539   3.462  -6.150
   26    H    LEU   6           HN       LEU   6  -0.284   3.597  -7.222
   27    HA   LEU   6           HA       LEU   6   0.128   3.096  -4.477
   28   1HB   LEU   6          HB2       LEU   6   1.167   5.078  -6.431
   29   2HB   LEU   6          HB1       LEU   6   1.356   5.485  -4.726
   30    HG   LEU   6           HG       LEU   6   2.306   3.169  -4.374
   31   1HD1  LEU   6          HD11      LEU   6   2.905   1.816  -6.212
   32   2HD1  LEU   6          HD12      LEU   6   2.687   3.132  -7.364
   33   3HD1  LEU   6          HD13      LEU   6   1.282   2.375  -6.613
   34   1HD2  LEU   6          HD21      LEU   6   3.681   5.271  -4.676
   35   2HD2  LEU   6          HD22      LEU   6   3.831   4.851  -6.382
   36   3HD2  LEU   6          HD23      LEU   6   4.511   3.789  -5.150
   37    H    MET   7           HN       MET   7  -2.261   5.181  -5.859
   38    HA   MET   7           HA       MET   7  -2.382   6.945  -3.518
   39   1HB   MET   7          HB2       MET   7  -2.951   7.966  -5.608
   40   2HB   MET   7          HB1       MET   7  -4.096   6.684  -6.001
   41   1HG   MET   7          HG2       MET   7  -5.734   7.563  -4.674
   42   2HG   MET   7          HG1       MET   7  -4.591   8.084  -3.436
   43   1HE   MET   7          HE1       MET   7  -4.237   9.997  -2.848
   44   2HE   MET   7          HE2       MET   7  -5.783  10.765  -3.198
   45   3HE   MET   7          HE3       MET   7  -4.285  11.552  -3.689
   46    H    ASP   8           HN       ASP   8  -3.492   3.823  -4.155
   47    HA   ASP   8           HA       ASP   8  -6.102   3.878  -2.990
   48   1HB   ASP   8          HB2       ASP   8  -4.698   1.928  -4.184
   49   2HB   ASP   8          HB1       ASP   8  -4.359   1.503  -2.507
   50    H    LYS   9           HN       LYS   9  -5.868   1.991  -0.860
   51    HA   LYS   9           HA       LYS   9  -4.469   3.641   1.209
   52   1HB   LYS   9          HB2       LYS   9  -6.963   2.027   1.761
   53   2HB   LYS   9          HB1       LYS   9  -6.266   3.327   2.725
   54   1HG   LYS   9          HG2       LYS   9  -7.533   3.639  -0.019
   55   2HG   LYS   9          HG1       LYS   9  -8.260   4.130   1.509
   56   1HD   LYS   9          HD2       LYS   9  -5.901   5.335   0.075
   57   2HD   LYS   9          HD1       LYS   9  -7.344   6.133   0.699
   58   1HE   LYS   9          HE2       LYS   9  -6.464   5.274   3.027
   59   2HE   LYS   9          HE1       LYS   9  -4.915   5.181   2.190
   60   1HZ   LYS   9          HZ1       LYS   9  -5.290   7.337   3.274
   61   2HZ   LYS   9          HZ2       LYS   9  -6.645   7.593   2.282
   62   3HZ   LYS   9          HZ3       LYS   9  -5.094   7.485   1.597
   63    H    GLU  10           HN       GLU  10  -6.068   0.423   1.368
   64    HA   GLU  10           HA       GLU  10  -3.924  -0.648   2.958
   65   1HB   GLU  10          HB2       GLU  10  -6.452  -1.638   1.772
   66   2HB   GLU  10          HB1       GLU  10  -5.207  -2.859   2.045
   67   1HG   GLU  10          HG2       GLU  10  -4.975  -2.113   4.371
   68   2HG   GLU  10          HG1       GLU  10  -6.223  -0.894   4.104
   69    H    CYS  11           HN       CYS  11  -4.677  -0.660  -0.475
   70    HA   CYS  11           HA       CYS  11  -2.692  -2.665  -1.136
   71   1HB   CYS  11          HB2       CYS  11  -4.626  -2.153  -2.619
   72   2HB   CYS  11          HB1       CYS  11  -3.968  -0.540  -2.892
   73    H    VAL  12           HN       VAL  12  -2.603   0.564  -0.187
   74    HA   VAL  12           HA       VAL  12  -0.191   1.345  -1.628
   75    HB   VAL  12           HB       VAL  12  -1.896   2.542   0.544
   76   1HG1  VAL  12          HG11      VAL  12  -0.394   4.544   0.372
   77   2HG1  VAL  12          HG12      VAL  12   0.766   3.517  -0.474
   78   3HG1  VAL  12          HG13      VAL  12   0.320   3.156   1.194
   79   1HG2  VAL  12          HG21      VAL  12  -2.121   4.323  -1.203
   80   2HG2  VAL  12          HG22      VAL  12  -2.720   2.748  -1.726
   81   3HG2  VAL  12          HG23      VAL  12  -1.149   3.323  -2.282
   82    H    TYR  13           HN       TYR  13  -0.977   0.010   1.553
   83    HA   TYR  13           HA       TYR  13   1.390   0.506   2.955
   84   1HB   TYR  13          HB2       TYR  13  -0.162  -2.098   2.925
   85   2HB   TYR  13          HB1       TYR  13   0.917  -1.543   4.203
   86    HD1  TYR  13           HD1      TYR  13  -2.082  -2.228   4.466
   87    HD2  TYR  13           HD2      TYR  13   0.018   1.460   3.802
   88    HE1  TYR  13           HE1      TYR  13  -3.953  -0.976   5.506
   89    HE2  TYR  13           HE2      TYR  13  -1.853   2.712   4.841
   90    HH   TYR  13           HH       TYR  13  -3.690   2.304   6.408
   91    H    PHE  14           HN       PHE  14   0.888  -1.573   0.210
   92    HA   PHE  14           HA       PHE  14   3.140  -3.289   0.558
   93   1HB   PHE  14          HB2       PHE  14   2.000  -2.352  -2.084
   94   2HB   PHE  14          HB1       PHE  14   2.849  -3.864  -1.759
   95    HD1  PHE  14           HD1      PHE  14   1.457  -4.132   1.073
   96    HD2  PHE  14           HD2      PHE  14   0.008  -3.564  -2.931
   97    HE1  PHE  14           HE1      PHE  14  -0.687  -5.207   1.698
   98    HE2  PHE  14           HE2      PHE  14  -2.137  -4.639  -2.305
   99    HZ   PHE  14           HZ       PHE  14  -2.484  -5.460   0.010
  100    H    CYS  15           HN       CYS  15   2.868  -0.013  -0.709
  101    HA   CYS  15           HA       CYS  15   5.605  -0.024  -1.757
  102   1HB   CYS  15          HB2       CYS  15   3.321   1.579  -2.122
  103   2HB   CYS  15          HB1       CYS  15   4.512   2.623  -1.347
  104    H    HIS  16           HN       HIS  16   5.004  -0.499   1.227
  105    HA   HIS  16           HA       HIS  16   6.312  -0.074   3.143
  106   1HB   HIS  16          HB2       HIS  16   7.887   0.959   1.115
  107   2HB   HIS  16          HB1       HIS  16   7.655   2.344   2.182
  108    HD1  HIS  16           HD1      HIS  16   8.821   2.303   4.443
  109    HD2  HIS  16           HD2      HIS  16   9.131  -1.328   2.415
  110    HE1  HIS  16           HE1      HIS  16  10.472   0.892   5.748
  111    H    LEU  17           HN       LEU  17   3.686   1.027   2.766
  112    HA   LEU  17           HA       LEU  17   3.938   3.729   3.971
  113   1HB   LEU  17          HB2       LEU  17   1.655   2.322   2.578
  114   2HB   LEU  17          HB1       LEU  17   1.530   3.893   3.325
  115    HG   LEU  17           HG       LEU  17   1.968   4.384   1.051
  116   1HD1  LEU  17          HD11      LEU  17   3.475   5.558   2.691
  117   2HD1  LEU  17          HD12      LEU  17   4.146   5.428   1.065
  118   3HD1  LEU  17          HD13      LEU  17   4.708   4.347   2.340
  119   1HD2  LEU  17          HD21      LEU  17   3.254   1.825   1.145
  120   2HD2  LEU  17          HD22      LEU  17   4.397   2.998   0.492
  121   3HD2  LEU  17          HD23      LEU  17   2.824   2.779  -0.274
  122    H    ASP  18           HN       ASP  18   4.533   2.162   5.918
  123    HA   ASP  18           HA       ASP  18   3.883   1.072   7.909
  124   1HB   ASP  18          HB2       ASP  18   2.359   2.455   9.212
  125   2HB   ASP  18          HB1       ASP  18   3.453   3.492   8.301
  126    H    ILE  19           HN       ILE  19   3.079  -0.882   6.665
  127    HA   ILE  19           HA       ILE  19   0.337  -1.157   5.919
  128    HB   ILE  19           HB       ILE  19   0.823  -3.420   5.573
  129   1HG1  ILE  19          HG12      ILE  19   2.949  -3.266   7.732
  130   2HG1  ILE  19          HG11      ILE  19   1.320  -3.891   7.983
  131   1HG2  ILE  19          HG21      ILE  19   3.696  -2.790   5.647
  132   2HG2  ILE  19          HG22      ILE  19   2.713  -1.587   4.811
  133   3HG2  ILE  19          HG23      ILE  19   2.682  -3.271   4.287
  134   1HD1  ILE  19          HD11      ILE  19   3.442  -5.437   7.248
  135   2HD1  ILE  19          HD12      ILE  19   2.743  -5.051   5.675
  136   3HD1  ILE  19          HD13      ILE  19   1.759  -5.840   6.908
  137    H    ILE  20           HN       ILE  20  -1.459  -1.369   7.198
  138    HA   ILE  20           HA       ILE  20  -0.974  -2.071  10.074
  139    HB   ILE  20           HB       ILE  20  -3.029  -0.247   8.806
  140   1HG1  ILE  20          HG12      ILE  20  -0.935   0.855   9.259
  141   2HG1  ILE  20          HG11      ILE  20  -2.051   1.318  10.542
  142   1HG2  ILE  20          HG21      ILE  20  -3.402  -0.111  11.540
  143   2HG2  ILE  20          HG22      ILE  20  -3.154  -1.836  11.274
  144   3HG2  ILE  20          HG23      ILE  20  -4.443  -0.989  10.418
  145   1HD1  ILE  20          HD11      ILE  20  -0.338   0.688  11.910
  146   2HD1  ILE  20          HD12      ILE  20   0.391  -0.348  10.683
  147   3HD1  ILE  20          HD13      ILE  20  -0.980  -0.929  11.628
  148    H    TRP  21           HN       TRP  21  -1.176  -4.333   9.367
  149    HA   TRP  21           HA       TRP  21  -3.466  -5.421   8.113
  150   1HB   TRP  21          HB2       TRP  21  -2.878  -7.447   9.787
  151   2HB   TRP  21          HB1       TRP  21  -1.944  -7.108   8.337
  152    HD1  TRP  21           HD1      TRP  21   0.266  -8.074   9.345
  153    HE1  TRP  21           HE1      TRP  21   1.939  -7.184  11.087
  154    HE3  TRP  21           HE3      TRP  21  -2.521  -4.336  11.438
  155    HZ2  TRP  21           HZ2      TRP  21   2.082  -5.168  13.100
  156    HZ3  TRP  21           HZ3      TRP  21  -1.593  -2.954  13.269
  157    HH2  TRP  21           HH2      TRP  21   0.705  -3.363  14.102
  Start of MODEL   12
    1   1H    CYS   1           HT1      CYS   1   8.410  -2.659  -3.988
    2   2H    CYS   1           HT2      CYS   1   7.079  -3.602  -3.514
    3   3H    CYS   1           HT3      CYS   1   7.731  -2.451  -2.447
    4    HA   CYS   1           HA       CYS   1   5.869  -1.368  -3.239
    5   1HB   CYS   1          HB2       CYS   1   8.452  -0.618  -4.370
    6   2HB   CYS   1          HB1       CYS   1   7.111  -0.080  -5.380
    7    H    SER   2           HN       SER   2   4.200  -2.484  -4.203
    8    HA   SER   2           HA       SER   2   4.079  -2.509  -7.109
    9   1HB   SER   2          HB2       SER   2   4.511  -5.062  -5.575
   10   2HB   SER   2          HB1       SER   2   3.595  -5.070  -7.079
   11    HG   SER   2           HG       SER   2   6.018  -3.691  -7.035
   12    H    CYS   3           HN       CYS   3   2.141  -1.341  -6.785
   13    HA   CYS   3           HA       CYS   3  -0.132  -3.017  -5.844
   14   1HB   CYS   3          HB2       CYS   3   0.202  -1.635  -3.944
   15   2HB   CYS   3          HB1       CYS   3   0.582  -0.224  -4.928
   16    H    SER   4           HN       SER   4  -2.240  -2.172  -6.724
   17    HA   SER   4           HA       SER   4  -2.100  -1.626  -9.503
   18   1HB   SER   4          HB2       SER   4  -4.153  -2.515  -8.753
   19   2HB   SER   4          HB1       SER   4  -4.286  -1.338  -7.449
   20    HG   SER   4           HG       SER   4  -4.165  -0.408 -10.083
   21    H    SER   5           HN       SER   5  -3.043   0.598  -6.878
   22    HA   SER   5           HA       SER   5  -1.875   2.809  -8.499
   23   1HB   SER   5          HB2       SER   5  -3.902   3.773  -8.718
   24   2HB   SER   5          HB1       SER   5  -4.641   2.426  -7.859
   25    HG   SER   5           HG       SER   5  -4.246   4.938  -7.034
   26    H    LEU   6           HN       LEU   6  -0.259   3.710  -7.274
   27    HA   LEU   6           HA       LEU   6   0.280   3.068  -4.585
   28   1HB   LEU   6          HB2       LEU   6   1.240   5.145  -6.479
   29   2HB   LEU   6          HB1       LEU   6   1.520   5.455  -4.766
   30    HG   LEU   6           HG       LEU   6   2.462   3.119  -4.589
   31   1HD1  LEU   6          HD11      LEU   6   1.776   3.221  -7.478
   32   2HD1  LEU   6          HD12      LEU   6   1.827   1.842  -6.379
   33   3HD1  LEU   6          HD13      LEU   6   3.322   2.477  -7.065
   34   1HD2  LEU   6          HD21      LEU   6   4.622   3.785  -5.334
   35   2HD2  LEU   6          HD22      LEU   6   3.796   5.294  -4.946
   36   3HD2  LEU   6          HD23      LEU   6   3.953   4.783  -6.626
   37    H    MET   7           HN       MET   7  -2.141   5.259  -5.736
   38    HA   MET   7           HA       MET   7  -2.147   6.845  -3.266
   39   1HB   MET   7          HB2       MET   7  -2.697   7.897  -5.443
   40   2HB   MET   7          HB1       MET   7  -4.099   6.838  -5.591
   41   1HG   MET   7          HG2       MET   7  -5.073   7.791  -3.556
   42   2HG   MET   7          HG1       MET   7  -3.644   8.796  -3.321
   43   1HE   MET   7          HE1       MET   7  -3.278  10.191  -6.699
   44   2HE   MET   7          HE2       MET   7  -2.618   9.924  -5.088
   45   3HE   MET   7          HE3       MET   7  -3.475  11.422  -5.443
   46    H    ASP   8           HN       ASP   8  -3.321   3.810  -4.096
   47    HA   ASP   8           HA       ASP   8  -5.937   3.779  -2.996
   48   1HB   ASP   8          HB2       ASP   8  -4.431   1.870  -4.135
   49   2HB   ASP   8          HB1       ASP   8  -4.157   1.446  -2.447
   50    H    LYS   9           HN       LYS   9  -5.732   1.878  -0.868
   51    HA   LYS   9           HA       LYS   9  -4.435   3.539   1.259
   52   1HB   LYS   9          HB2       LYS   9  -7.012   1.974   1.607
   53   2HB   LYS   9          HB1       LYS   9  -6.295   3.115   2.741
   54   1HG   LYS   9          HG2       LYS   9  -7.137   3.954  -0.046
   55   2HG   LYS   9          HG1       LYS   9  -8.257   3.992   1.317
   56   1HD   LYS   9          HD2       LYS   9  -7.427   6.001   1.875
   57   2HD   LYS   9          HD1       LYS   9  -5.894   5.215   2.251
   58   1HE   LYS   9          HE2       LYS   9  -5.992   5.429  -0.565
   59   2HE   LYS   9          HE1       LYS   9  -6.529   6.986   0.062
   60   1HZ   LYS   9          HZ1       LYS   9  -3.961   6.257  -0.189
   61   2HZ   LYS   9          HZ2       LYS   9  -4.255   5.853   1.435
   62   3HZ   LYS   9          HZ3       LYS   9  -4.517   7.441   0.890
   63    H    GLU  10           HN       GLU  10  -6.050   0.318   1.361
   64    HA   GLU  10           HA       GLU  10  -3.909  -0.752   2.971
   65   1HB   GLU  10          HB2       GLU  10  -5.955  -1.804   3.387
   66   2HB   GLU  10          HB1       GLU  10  -6.396  -1.843   1.682
   67   1HG   GLU  10          HG2       GLU  10  -5.362  -3.829   1.340
   68   2HG   GLU  10          HG1       GLU  10  -3.959  -3.365   2.303
   69    H    CYS  11           HN       CYS  11  -4.673  -0.703  -0.458
   70    HA   CYS  11           HA       CYS  11  -2.723  -2.728  -1.206
   71   1HB   CYS  11          HB2       CYS  11  -4.668  -2.076  -2.647
   72   2HB   CYS  11          HB1       CYS  11  -3.917  -0.499  -2.886
   73    H    VAL  12           HN       VAL  12  -2.580   0.474  -0.145
   74    HA   VAL  12           HA       VAL  12  -0.144   1.236  -1.553
   75    HB   VAL  12           HB       VAL  12  -1.858   2.436   0.611
   76   1HG1  VAL  12          HG11      VAL  12  -0.347   4.345   0.698
   77   2HG1  VAL  12          HG12      VAL  12   0.769   3.527  -0.398
   78   3HG1  VAL  12          HG13      VAL  12   0.484   2.879   1.218
   79   1HG2  VAL  12          HG21      VAL  12  -1.018   3.268  -2.175
   80   2HG2  VAL  12          HG22      VAL  12  -2.012   4.251  -1.100
   81   3HG2  VAL  12          HG23      VAL  12  -2.613   2.699  -1.683
   82    H    TYR  13           HN       TYR  13  -0.990  -0.097   1.624
   83    HA   TYR  13           HA       TYR  13   1.383   0.323   3.038
   84   1HB   TYR  13          HB2       TYR  13  -0.240  -2.237   3.003
   85   2HB   TYR  13          HB1       TYR  13   0.834  -1.698   4.292
   86    HD1  TYR  13           HD1      TYR  13  -2.175  -2.313   4.533
   87    HD2  TYR  13           HD2      TYR  13   0.002   1.324   3.841
   88    HE1  TYR  13           HE1      TYR  13  -4.030  -1.011   5.539
   89    HE2  TYR  13           HE2      TYR  13  -1.852   2.626   4.847
   90    HH   TYR  13           HH       TYR  13  -4.551   1.048   6.441
   91    H    PHE  14           HN       PHE  14   0.827  -1.789   0.315
   92    HA   PHE  14           HA       PHE  14   3.045  -3.542   0.691
   93   1HB   PHE  14          HB2       PHE  14   1.919  -2.630  -1.966
   94   2HB   PHE  14          HB1       PHE  14   2.738  -4.153  -1.614
   95    HD1  PHE  14           HD1      PHE  14  -0.121  -3.769  -2.769
   96    HD2  PHE  14           HD2      PHE  14   1.373  -4.389   1.212
   97    HE1  PHE  14           HE1      PHE  14  -2.284  -4.789  -2.113
   98    HE2  PHE  14           HE2      PHE  14  -0.789  -5.407   1.866
   99    HZ   PHE  14           HZ       PHE  14  -2.617  -5.608   0.205
  100    H    CYS  15           HN       CYS  15   2.843  -0.282  -0.620
  101    HA   CYS  15           HA       CYS  15   5.566  -0.376  -1.695
  102   1HB   CYS  15          HB2       CYS  15   3.303   1.339  -1.949
  103   2HB   CYS  15          HB1       CYS  15   4.650   2.311  -1.360
  104    H    HIS  16           HN       HIS  16   4.987  -0.797   1.302
  105    HA   HIS  16           HA       HIS  16   6.317  -0.376   3.204
  106   1HB   HIS  16          HB2       HIS  16   8.006   0.344   1.255
  107   2HB   HIS  16          HB1       HIS  16   7.694   1.943   1.932
  108    HD1  HIS  16           HD1      HIS  16   8.192   2.216   4.554
  109    HD2  HIS  16           HD2      HIS  16   9.691  -1.258   2.804
  110    HE1  HIS  16           HE1      HIS  16   9.897   1.275   6.174
  111    H    LEU  17           HN       LEU  17   3.737   0.828   2.815
  112    HA   LEU  17           HA       LEU  17   4.108   3.548   3.944
  113   1HB   LEU  17          HB2       LEU  17   1.753   2.193   2.620
  114   2HB   LEU  17          HB1       LEU  17   1.705   3.790   3.321
  115    HG   LEU  17           HG       LEU  17   2.125   4.192   1.025
  116   1HD1  LEU  17          HD11      LEU  17   3.739   5.281   2.691
  117   2HD1  LEU  17          HD12      LEU  17   4.264   5.232   1.008
  118   3HD1  LEU  17          HD13      LEU  17   4.919   4.077   2.169
  119   1HD2  LEU  17          HD21      LEU  17   2.896   2.514  -0.261
  120   2HD2  LEU  17          HD22      LEU  17   3.322   1.590   1.179
  121   3HD2  LEU  17          HD23      LEU  17   4.490   2.704   0.468
  122    H    ASP  18           HN       ASP  18   4.658   1.992   5.930
  123    HA   ASP  18           HA       ASP  18   3.968   0.983   7.956
  124   1HB   ASP  18          HB2       ASP  18   3.692   3.286   8.542
  125   2HB   ASP  18          HB1       ASP  18   2.190   3.408   7.626
  126    H    ILE  19           HN       ILE  19   3.073  -0.951   6.728
  127    HA   ILE  19           HA       ILE  19   0.329  -1.126   5.988
  128    HB   ILE  19           HB       ILE  19   0.703  -3.420   5.718
  129   1HG1  ILE  19          HG12      ILE  19   2.820  -3.306   7.890
  130   2HG1  ILE  19          HG11      ILE  19   1.158  -3.837   8.147
  131   1HG2  ILE  19          HG21      ILE  19   3.606  -2.867   5.814
  132   2HG2  ILE  19          HG22      ILE  19   2.650  -1.730   4.864
  133   3HG2  ILE  19          HG23      ILE  19   2.612  -3.451   4.479
  134   1HD1  ILE  19          HD11      ILE  19   2.623  -5.128   5.911
  135   2HD1  ILE  19          HD12      ILE  19   1.469  -5.819   7.052
  136   3HD1  ILE  19          HD13      ILE  19   3.142  -5.551   7.543
  137    H    ILE  20           HN       ILE  20  -1.487  -1.204   7.251
  138    HA   ILE  20           HA       ILE  20  -1.066  -1.839  10.153
  139    HB   ILE  20           HB       ILE  20  -3.014   0.046   8.805
  140   1HG1  ILE  20          HG12      ILE  20  -0.871   1.054   9.248
  141   2HG1  ILE  20          HG11      ILE  20  -1.974   1.613  10.502
  142   1HG2  ILE  20          HG21      ILE  20  -3.366   0.255  11.558
  143   2HG2  ILE  20          HG22      ILE  20  -3.284  -1.484  11.280
  144   3HG2  ILE  20          HG23      ILE  20  -4.483  -0.512  10.429
  145   1HD1  ILE  20          HD11      ILE  20  -1.097  -0.503  11.806
  146   2HD1  ILE  20          HD12      ILE  20  -0.142   0.979  11.786
  147   3HD1  ILE  20          HD13      ILE  20   0.277  -0.354  10.709
  148    H    TRP  21           HN       TRP  21  -1.379  -4.110   9.513
  149    HA   TRP  21           HA       TRP  21  -3.708  -5.118   8.266
  150   1HB   TRP  21          HB2       TRP  21  -3.242  -7.117  10.011
  151   2HB   TRP  21          HB1       TRP  21  -2.278  -6.873   8.561
  152    HD1  TRP  21           HD1      TRP  21  -0.131  -7.918   9.624
  153    HE1  TRP  21           HE1      TRP  21   1.569  -7.060  11.356
  154    HE3  TRP  21           HE3      TRP  21  -2.743  -3.978  11.568
  155    HZ2  TRP  21           HZ2      TRP  21   1.795  -4.991  13.307
  156    HZ3  TRP  21           HZ3      TRP  21  -1.763  -2.588  13.367
  157    HH2  TRP  21           HH2      TRP  21   0.503  -3.087  14.238
  Start of MODEL   13
    1   1H    CYS   1           HT1      CYS   1   8.086  -3.826  -3.918
    2   2H    CYS   1           HT2      CYS   1   8.533  -2.685  -2.742
    3   3H    CYS   1           HT3      CYS   1   8.728  -2.329  -4.393
    4    HA   CYS   1           HA       CYS   1   6.221  -2.522  -2.835
    5   1HB   CYS   1          HB2       CYS   1   7.199  -0.322  -2.860
    6   2HB   CYS   1          HB1       CYS   1   7.531  -0.427  -4.590
    7    H    SER   2           HN       SER   2   4.245  -2.344  -4.159
    8    HA   SER   2           HA       SER   2   4.118  -2.578  -6.962
    9   1HB   SER   2          HB2       SER   2   4.656  -5.140  -5.524
   10   2HB   SER   2          HB1       SER   2   3.503  -5.173  -6.855
   11    HG   SER   2           HG       SER   2   5.216  -3.989  -8.039
   12    H    CYS   3           HN       CYS   3   2.158  -1.519  -6.832
   13    HA   CYS   3           HA       CYS   3  -0.102  -3.091  -5.720
   14   1HB   CYS   3          HB2       CYS   3   0.291  -1.633  -3.886
   15   2HB   CYS   3          HB1       CYS   3   0.657  -0.268  -4.939
   16    H    SER   4           HN       SER   4  -2.216  -2.267  -6.594
   17    HA   SER   4           HA       SER   4  -2.119  -1.813  -9.397
   18   1HB   SER   4          HB2       SER   4  -4.163  -2.673  -8.606
   19   2HB   SER   4          HB1       SER   4  -4.268  -1.483  -7.312
   20    HG   SER   4           HG       SER   4  -4.244  -0.673 -10.009
   21    H    SER   5           HN       SER   5  -3.023   0.490  -6.824
   22    HA   SER   5           HA       SER   5  -1.834   2.648  -8.493
   23   1HB   SER   5          HB2       SER   5  -3.854   3.596  -8.823
   24   2HB   SER   5          HB1       SER   5  -4.624   2.286  -7.935
   25    HG   SER   5           HG       SER   5  -4.958   4.405  -7.025
   26    H    LEU   6           HN       LEU   6  -0.277   3.613  -7.241
   27    HA   LEU   6           HA       LEU   6   0.166   3.057  -4.511
   28   1HB   LEU   6          HB2       LEU   6   1.197   5.066  -6.441
   29   2HB   LEU   6          HB1       LEU   6   1.409   5.440  -4.731
   30    HG   LEU   6           HG       LEU   6   2.343   3.109  -4.434
   31   1HD1  LEU   6          HD11      LEU   6   3.021   1.857  -6.371
   32   2HD1  LEU   6          HD12      LEU   6   2.562   3.172  -7.453
   33   3HD1  LEU   6          HD13      LEU   6   1.320   2.263  -6.593
   34   1HD2  LEU   6          HD21      LEU   6   3.739   5.048  -6.302
   35   2HD2  LEU   6          HD22      LEU   6   4.546   3.699  -5.501
   36   3HD2  LEU   6          HD23      LEU   6   3.852   5.007  -4.542
   37    H    MET   7           HN       MET   7  -2.219   5.194  -5.824
   38    HA   MET   7           HA       MET   7  -2.300   6.903  -3.440
   39   1HB   MET   7          HB2       MET   7  -2.871   7.983  -5.500
   40   2HB   MET   7          HB1       MET   7  -4.035   6.726  -5.915
   41   1HG   MET   7          HG2       MET   7  -5.651   7.592  -4.556
   42   2HG   MET   7          HG1       MET   7  -4.493   8.063  -3.312
   43   1HE   MET   7          HE1       MET   7  -5.111   8.808  -7.144
   44   2HE   MET   7          HE2       MET   7  -5.890  10.380  -6.990
   45   3HE   MET   7          HE3       MET   7  -6.618   8.966  -6.232
   46    H    ASP   8           HN       ASP   8  -3.449   3.811  -4.146
   47    HA   ASP   8           HA       ASP   8  -6.052   3.845  -2.984
   48   1HB   ASP   8          HB2       ASP   8  -4.632   1.908  -4.180
   49   2HB   ASP   8          HB1       ASP   8  -4.303   1.473  -2.505
   50    H    LYS   9           HN       LYS   9  -5.822   1.941  -0.865
   51    HA   LYS   9           HA       LYS   9  -4.444   3.584   1.223
   52   1HB   LYS   9          HB2       LYS   9  -6.938   1.963   1.750
   53   2HB   LYS   9          HB1       LYS   9  -6.251   3.259   2.726
   54   1HG   LYS   9          HG2       LYS   9  -7.487   3.590  -0.030
   55   2HG   LYS   9          HG1       LYS   9  -8.243   4.057   1.494
   56   1HD   LYS   9          HD2       LYS   9  -5.863   5.294   0.119
   57   2HD   LYS   9          HD1       LYS   9  -7.326   6.075   0.716
   58   1HE   LYS   9          HE2       LYS   9  -5.115   4.870   2.408
   59   2HE   LYS   9          HE1       LYS   9  -5.476   6.587   2.221
   60   1HZ   LYS   9          HZ1       LYS   9  -7.544   6.313   3.301
   61   2HZ   LYS   9          HZ2       LYS   9  -6.395   5.518   4.266
   62   3HZ   LYS   9          HZ3       LYS   9  -7.434   4.621   3.265
   63    H    GLU  10           HN       GLU  10  -6.039   0.362   1.357
   64    HA   GLU  10           HA       GLU  10  -3.900  -0.717   2.948
   65   1HB   GLU  10          HB2       GLU  10  -6.423  -1.700   1.747
   66   2HB   GLU  10          HB1       GLU  10  -5.177  -2.923   2.014
   67   1HG   GLU  10          HG2       GLU  10  -4.952  -2.178   4.347
   68   2HG   GLU  10          HG1       GLU  10  -6.219  -0.980   4.081
   69    H    CYS  11           HN       CYS  11  -4.644  -0.706  -0.485
   70    HA   CYS  11           HA       CYS  11  -2.654  -2.704  -1.158
   71   1HB   CYS  11          HB2       CYS  11  -4.600  -2.174  -2.629
   72   2HB   CYS  11          HB1       CYS  11  -3.924  -0.569  -2.905
   73    H    VAL  12           HN       VAL  12  -2.562   0.503  -0.163
   74    HA   VAL  12           HA       VAL  12  -0.148   1.298  -1.604
   75    HB   VAL  12           HB       VAL  12  -1.870   2.497   0.554
   76   1HG1  VAL  12          HG11      VAL  12  -0.213   4.518  -0.030
   77   2HG1  VAL  12          HG12      VAL  12   0.912   3.170  -0.191
   78   3HG1  VAL  12          HG13      VAL  12   0.053   3.426   1.329
   79   1HG2  VAL  12          HG21      VAL  12  -1.122   3.261  -2.277
   80   2HG2  VAL  12          HG22      VAL  12  -2.099   4.267  -1.207
   81   3HG2  VAL  12          HG23      VAL  12  -2.692   2.686  -1.717
   82    H    TYR  13           HN       TYR  13  -0.950  -0.025   1.582
   83    HA   TYR  13           HA       TYR  13   1.402   0.491   2.996
   84   1HB   TYR  13          HB2       TYR  13  -0.108  -2.136   2.967
   85   2HB   TYR  13          HB1       TYR  13   0.932  -1.541   4.259
   86    HD1  TYR  13           HD1      TYR  13  -2.023  -2.296   4.537
   87    HD2  TYR  13           HD2      TYR  13  -0.061   1.441   3.738
   88    HE1  TYR  13           HE1      TYR  13  -3.941  -1.076   5.527
   89    HE2  TYR  13           HE2      TYR  13  -1.981   2.660   4.727
   90    HH   TYR  13           HH       TYR  13  -4.247   1.263   6.653
   91    H    PHE  14           HN       PHE  14   0.934  -1.619   0.264
   92    HA   PHE  14           HA       PHE  14   3.201  -3.306   0.629
   93   1HB   PHE  14          HB2       PHE  14   2.074  -2.378  -2.023
   94   2HB   PHE  14          HB1       PHE  14   2.937  -3.882  -1.693
   95    HD1  PHE  14           HD1      PHE  14   1.560  -4.225   1.110
   96    HD2  PHE  14           HD2      PHE  14   0.073  -3.550  -2.863
   97    HE1  PHE  14           HE1      PHE  14  -0.576  -5.320   1.726
   98    HE2  PHE  14           HE2      PHE  14  -2.065  -4.646  -2.246
   99    HZ   PHE  14           HZ       PHE  14  -2.389  -5.530   0.049
  100    H    CYS  15           HN       CYS  15   2.909  -0.032  -0.629
  101    HA   CYS  15           HA       CYS  15   5.657  -0.010  -1.653
  102   1HB   CYS  15          HB2       CYS  15   3.350   1.584  -2.008
  103   2HB   CYS  15          HB1       CYS  15   4.558   2.628  -1.259
  104    H    HIS  16           HN       HIS  16   5.012  -0.493   1.326
  105    HA   HIS  16           HA       HIS  16   6.287  -0.062   3.264
  106   1HB   HIS  16          HB2       HIS  16   8.016   0.727   1.415
  107   2HB   HIS  16          HB1       HIS  16   7.580   2.329   2.009
  108    HD1  HIS  16           HD1      HIS  16   8.920  -0.993   3.280
  109    HD2  HIS  16           HD2      HIS  16   8.739   3.004   4.453
  110    HE1  HIS  16           HE1      HIS  16  10.343  -0.794   5.365
  111    H    LEU  17           HN       LEU  17   3.666   1.031   2.848
  112    HA   LEU  17           HA       LEU  17   3.892   3.740   4.042
  113   1HB   LEU  17          HB2       LEU  17   1.635   2.317   2.624
  114   2HB   LEU  17          HB1       LEU  17   1.495   3.893   3.359
  115    HG   LEU  17           HG       LEU  17   1.965   4.370   1.089
  116   1HD1  LEU  17          HD11      LEU  17   3.951   5.591   1.210
  117   2HD1  LEU  17          HD12      LEU  17   4.772   4.351   2.159
  118   3HD1  LEU  17          HD13      LEU  17   3.554   5.378   2.916
  119   1HD2  LEU  17          HD21      LEU  17   2.841   2.759  -0.214
  120   2HD2  LEU  17          HD22      LEU  17   3.251   1.814   1.216
  121   3HD2  LEU  17          HD23      LEU  17   4.403   2.984   0.574
  122    H    ASP  18           HN       ASP  18   4.465   2.175   6.005
  123    HA   ASP  18           HA       ASP  18   3.783   1.105   8.000
  124   1HB   ASP  18          HB2       ASP  18   3.374   3.383   8.608
  125   2HB   ASP  18          HB1       ASP  18   1.885   3.436   7.664
  126    H    ILE  19           HN       ILE  19   3.017  -0.870   6.770
  127    HA   ILE  19           HA       ILE  19   0.295  -1.165   5.958
  128    HB   ILE  19           HB       ILE  19   0.800  -3.429   5.646
  129   1HG1  ILE  19          HG12      ILE  19   2.873  -3.248   7.854
  130   2HG1  ILE  19          HG11      ILE  19   1.239  -3.870   8.075
  131   1HG2  ILE  19          HG21      ILE  19   2.643  -3.223   4.365
  132   2HG2  ILE  19          HG22      ILE  19   3.664  -2.868   5.760
  133   3HG2  ILE  19          HG23      ILE  19   2.750  -1.574   4.983
  134   1HD1  ILE  19          HD11      ILE  19   3.224  -4.989   6.084
  135   2HD1  ILE  19          HD12      ILE  19   1.638  -5.651   6.482
  136   3HD1  ILE  19          HD13      ILE  19   2.929  -5.671   7.684
  137    H    ILE  20           HN       ILE  20  -1.530  -1.369   7.194
  138    HA   ILE  20           HA       ILE  20  -1.113  -2.041  10.088
  139    HB   ILE  20           HB       ILE  20  -3.140  -0.232   8.753
  140   1HG1  ILE  20          HG12      ILE  20  -1.058   0.876   9.244
  141   2HG1  ILE  20          HG11      ILE  20  -2.204   1.352  10.494
  142   1HG2  ILE  20          HG21      ILE  20  -3.842   0.044  11.272
  143   2HG2  ILE  20          HG22      ILE  20  -3.151  -1.569  11.446
  144   3HG2  ILE  20          HG23      ILE  20  -4.493  -1.300  10.333
  145   1HD1  ILE  20          HD11      ILE  20   0.116  -0.547  10.692
  146   2HD1  ILE  20          HD12      ILE  20  -1.247  -0.700  11.801
  147   3HD1  ILE  20          HD13      ILE  20  -0.312   0.794  11.754
  148    H    TRP  21           HN       TRP  21  -1.296  -4.310   9.400
  149    HA   TRP  21           HA       TRP  21  -3.553  -5.414   8.101
  150   1HB   TRP  21          HB2       TRP  21  -3.003  -7.421   9.811
  151   2HB   TRP  21          HB1       TRP  21  -2.035  -7.098   8.381
  152    HD1  TRP  21           HD1      TRP  21   0.151  -8.047   9.452
  153    HE1  TRP  21           HE1      TRP  21   1.780  -7.136  11.226
  154    HE3  TRP  21           HE3      TRP  21  -2.692  -4.294  11.438
  155    HZ2  TRP  21           HZ2      TRP  21   1.869  -5.100  13.220
  156    HZ3  TRP  21           HZ3      TRP  21  -1.812  -2.891  13.277
  157    HH2  TRP  21           HH2      TRP  21   0.467  -3.287  14.171
  Start of MODEL   14
    1   1H    CYS   1           HT1      CYS   1   8.103  -0.762  -5.325
    2   2H    CYS   1           HT2      CYS   1   7.893  -1.818  -4.011
    3   3H    CYS   1           HT3      CYS   1   8.206  -0.170  -3.739
    4    HA   CYS   1           HA       CYS   1   5.832  -0.878  -3.427
    5   1HB   CYS   1          HB2       CYS   1   6.352   1.464  -3.699
    6   2HB   CYS   1          HB1       CYS   1   6.592   1.261  -5.434
    7    H    SER   2           HN       SER   2   4.322  -2.231  -4.271
    8    HA   SER   2           HA       SER   2   4.142  -2.491  -7.222
    9   1HB   SER   2          HB2       SER   2   4.999  -4.547  -5.336
   10   2HB   SER   2          HB1       SER   2   3.603  -5.054  -6.283
   11    HG   SER   2           HG       SER   2   4.967  -4.053  -8.089
   12    H    CYS   3           HN       CYS   3   2.223  -1.129  -6.836
   13    HA   CYS   3           HA       CYS   3  -0.105  -2.806  -6.051
   14   1HB   CYS   3          HB2       CYS   3   0.184  -1.531  -4.068
   15   2HB   CYS   3          HB1       CYS   3   0.609  -0.075  -4.965
   16    H    SER   4           HN       SER   4  -2.165  -1.887  -6.962
   17    HA   SER   4           HA       SER   4  -1.912  -1.179  -9.697
   18   1HB   SER   4          HB2       SER   4  -4.002  -2.086  -9.093
   19   2HB   SER   4          HB1       SER   4  -4.173  -1.005  -7.714
   20    HG   SER   4           HG       SER   4  -4.656  -0.575 -10.421
   21    H    SER   5           HN       SER   5  -2.940   0.892  -6.979
   22    HA   SER   5           HA       SER   5  -1.705   3.188  -8.426
   23   1HB   SER   5          HB2       SER   5  -3.723   4.171  -8.632
   24   2HB   SER   5          HB1       SER   5  -4.488   2.792  -7.852
   25    HG   SER   5           HG       SER   5  -4.912   4.450  -6.513
   26    H    LEU   6           HN       LEU   6  -0.113   4.004  -7.111
   27    HA   LEU   6           HA       LEU   6   0.344   3.190  -4.447
   28   1HB   LEU   6          HB2       LEU   6   1.403   5.341  -6.200
   29   2HB   LEU   6          HB1       LEU   6   1.639   5.556  -4.466
   30    HG   LEU   6           HG       LEU   6   2.522   3.186  -4.389
   31   1HD1  LEU   6          HD11      LEU   6   3.458   2.672  -6.869
   32   2HD1  LEU   6          HD12      LEU   6   1.943   3.473  -7.289
   33   3HD1  LEU   6          HD13      LEU   6   1.925   2.031  -6.274
   34   1HD2  LEU   6          HD21      LEU   6   3.850   5.436  -5.877
   35   2HD2  LEU   6          HD22      LEU   6   4.687   3.893  -5.707
   36   3HD2  LEU   6          HD23      LEU   6   4.210   4.800  -4.272
   37    H    MET   7           HN       MET   7  -1.998   5.499  -5.544
   38    HA   MET   7           HA       MET   7  -2.029   6.961  -3.000
   39   1HB   MET   7          HB2       MET   7  -2.519   8.122  -5.136
   40   2HB   MET   7          HB1       MET   7  -3.936   7.099  -5.357
   41   1HG   MET   7          HG2       MET   7  -4.931   7.976  -3.299
   42   2HG   MET   7          HG1       MET   7  -3.488   8.942  -2.992
   43   1HE   MET   7          HE1       MET   7  -5.136  11.612  -3.209
   44   2HE   MET   7          HE2       MET   7  -5.778  10.080  -2.622
   45   3HE   MET   7          HE3       MET   7  -6.666  10.989  -3.841
   46    H    ASP   8           HN       ASP   8  -3.242   3.992  -3.991
   47    HA   ASP   8           HA       ASP   8  -5.878   3.957  -2.948
   48   1HB   ASP   8          HB2       ASP   8  -4.380   2.078  -4.143
   49   2HB   ASP   8          HB1       ASP   8  -4.147   1.570  -2.471
   50    H    LYS   9           HN       LYS   9  -5.772   1.967  -0.903
   51    HA   LYS   9           HA       LYS   9  -4.545   3.532   1.333
   52   1HB   LYS   9          HB2       LYS   9  -7.010   1.819   1.663
   53   2HB   LYS   9          HB1       LYS   9  -6.422   3.108   2.711
   54   1HG   LYS   9          HG2       LYS   9  -7.568   3.456  -0.082
   55   2HG   LYS   9          HG1       LYS   9  -8.360   3.903   1.428
   56   1HD   LYS   9          HD2       LYS   9  -5.957   5.175   0.121
   57   2HD   LYS   9          HD1       LYS   9  -7.455   5.936   0.656
   58   1HE   LYS   9          HE2       LYS   9  -6.860   5.584   2.990
   59   2HE   LYS   9          HE1       LYS   9  -5.421   4.678   2.522
   60   1HZ   LYS   9          HZ1       LYS   9  -5.944   7.558   2.349
   61   2HZ   LYS   9          HZ2       LYS   9  -4.911   6.850   1.201
   62   3HZ   LYS   9          HZ3       LYS   9  -4.544   6.744   2.856
   63    H    GLU  10           HN       GLU  10  -6.052   0.259   1.295
   64    HA   GLU  10           HA       GLU  10  -3.853  -0.770   2.875
   65   1HB   GLU  10          HB2       GLU  10  -5.705  -2.589   1.378
   66   2HB   GLU  10          HB1       GLU  10  -5.082  -2.736   3.022
   67   1HG   GLU  10          HG2       GLU  10  -6.468  -0.630   3.542
   68   2HG   GLU  10          HG1       GLU  10  -7.288  -0.949   2.014
   69    H    CYS  11           HN       CYS  11  -4.683  -0.711  -0.532
   70    HA   CYS  11           HA       CYS  11  -2.761  -2.674  -1.389
   71   1HB   CYS  11          HB2       CYS  11  -4.671  -1.792  -2.790
   72   2HB   CYS  11          HB1       CYS  11  -3.784  -0.275  -2.940
   73    H    VAL  12           HN       VAL  12  -2.602   0.547  -0.269
   74    HA   VAL  12           HA       VAL  12  -0.054   1.254  -1.470
   75    HB   VAL  12           HB       VAL  12  -1.880   2.410   0.617
   76   1HG1  VAL  12          HG11      VAL  12   0.100   4.292   0.316
   77   2HG1  VAL  12          HG12      VAL  12   1.010   2.785   0.450
   78   3HG1  VAL  12          HG13      VAL  12  -0.118   3.251   1.724
   79   1HG2  VAL  12          HG21      VAL  12  -0.775   3.219  -2.064
   80   2HG2  VAL  12          HG22      VAL  12  -1.577   4.376  -1.001
   81   3HG2  VAL  12          HG23      VAL  12  -2.460   2.972  -1.604
   82    H    TYR  13           HN       TYR  13  -1.134  -0.211   1.556
   83    HA   TYR  13           HA       TYR  13   1.304   0.002   3.012
   84   1HB   TYR  13          HB2       TYR  13  -0.862  -2.119   3.095
   85   2HB   TYR  13          HB1       TYR  13   0.427  -1.966   4.289
   86    HD1  TYR  13           HD1      TYR  13  -2.785  -1.568   4.379
   87    HD2  TYR  13           HD2      TYR  13   0.635   1.029   4.407
   88    HE1  TYR  13           HE1      TYR  13  -4.103   0.156   5.579
   89    HE2  TYR  13           HE2      TYR  13  -0.682   2.753   5.607
   90    HH   TYR  13           HH       TYR  13  -3.090   3.361   5.882
   91    H    PHE  14           HN       PHE  14   0.253  -2.184   0.484
   92    HA   PHE  14           HA       PHE  14   2.224  -4.209   0.871
   93   1HB   PHE  14          HB2       PHE  14   1.086  -3.360  -1.799
   94   2HB   PHE  14          HB1       PHE  14   1.652  -4.962  -1.327
   95    HD1  PHE  14           HD1      PHE  14   0.313  -4.352   1.596
   96    HD2  PHE  14           HD2      PHE  14  -1.068  -4.548  -2.468
   97    HE1  PHE  14           HE1      PHE  14  -1.961  -4.928   2.396
   98    HE2  PHE  14           HE2      PHE  14  -3.342  -5.123  -1.665
   99    HZ   PHE  14           HZ       PHE  14  -3.789  -5.312   0.767
  100    H    CYS  15           HN       CYS  15   2.417  -1.016  -0.545
  101    HA   CYS  15           HA       CYS  15   4.944  -1.548  -1.918
  102   1HB   CYS  15          HB2       CYS  15   3.304   0.918  -1.375
  103   2HB   CYS  15          HB1       CYS  15   4.896   1.025  -2.094
  104    H    HIS  16           HN       HIS  16   4.528  -1.768   1.186
  105    HA   HIS  16           HA       HIS  16   6.108  -1.622   2.935
  106   1HB   HIS  16          HB2       HIS  16   7.768  -1.417   0.923
  107   2HB   HIS  16          HB1       HIS  16   7.761   0.301   1.320
  108    HD1  HIS  16           HD1      HIS  16  10.406  -0.693   1.841
  109    HD2  HIS  16           HD2      HIS  16   7.384  -1.388   4.627
  110    HE1  HIS  16           HE1      HIS  16  11.560  -1.201   4.039
  111    H    LEU  17           HN       LEU  17   3.806   0.071   2.752
  112    HA   LEU  17           HA       LEU  17   4.835   2.675   3.762
  113   1HB   LEU  17          HB2       LEU  17   2.231   1.813   2.521
  114   2HB   LEU  17          HB1       LEU  17   2.378   3.310   3.407
  115    HG   LEU  17           HG       LEU  17   4.490   3.676   1.873
  116   1HD1  LEU  17          HD11      LEU  17   3.005   2.409  -0.291
  117   2HD1  LEU  17          HD12      LEU  17   3.547   1.231   0.904
  118   3HD1  LEU  17          HD13      LEU  17   4.718   2.283   0.110
  119   1HD2  LEU  17          HD21      LEU  17   2.261   4.136   0.115
  120   2HD2  LEU  17          HD22      LEU  17   3.142   5.306   1.097
  121   3HD2  LEU  17          HD23      LEU  17   1.755   4.453   1.774
  122    H    ASP  18           HN       ASP  18   5.215   1.063   5.728
  123    HA   ASP  18           HA       ASP  18   4.507   0.217   7.818
  124   1HB   ASP  18          HB2       ASP  18   3.557   1.978   9.197
  125   2HB   ASP  18          HB1       ASP  18   4.756   2.687   8.118
  126    H    ILE  19           HN       ILE  19   3.098  -1.423   6.588
  127    HA   ILE  19           HA       ILE  19   0.340  -1.047   6.124
  128    HB   ILE  19           HB       ILE  19   0.186  -3.388   5.967
  129   1HG1  ILE  19          HG12      ILE  19   2.503  -3.623   7.914
  130   2HG1  ILE  19          HG11      ILE  19   0.805  -3.811   8.352
  131   1HG2  ILE  19          HG21      ILE  19   2.282  -2.174   4.787
  132   2HG2  ILE  19          HG22      ILE  19   1.926  -3.888   4.573
  133   3HG2  ILE  19          HG23      ILE  19   3.145  -3.379   5.743
  134   1HD1  ILE  19          HD11      ILE  19   1.731  -5.436   6.055
  135   2HD1  ILE  19          HD12      ILE  19   0.632  -5.860   7.369
  136   3HD1  ILE  19          HD13      ILE  19   2.376  -5.890   7.633
  137    H    ILE  20           HN       ILE  20  -1.352  -0.705   7.518
  138    HA   ILE  20           HA       ILE  20  -0.840  -1.321  10.409
  139    HB   ILE  20           HB       ILE  20  -2.474   0.869   9.109
  140   1HG1  ILE  20          HG12      ILE  20  -0.148   1.442   9.359
  141   2HG1  ILE  20          HG11      ILE  20  -1.021   2.251  10.658
  142   1HG2  ILE  20          HG21      ILE  20  -3.872   0.798  10.873
  143   2HG2  ILE  20          HG22      ILE  20  -2.498   1.147  11.923
  144   3HG2  ILE  20          HG23      ILE  20  -2.953  -0.526  11.592
  145   1HD1  ILE  20          HD11      ILE  20   0.966   0.074  10.806
  146   2HD1  ILE  20          HD12      ILE  20  -0.448  -0.143  11.838
  147   3HD1  ILE  20          HD13      ILE  20   0.549   1.302  12.001
  148    H    TRP  21           HN       TRP  21  -1.639  -3.505   9.896
  149    HA   TRP  21           HA       TRP  21  -4.218  -4.066   8.880
  150   1HB   TRP  21          HB2       TRP  21  -4.007  -6.068  10.665
  151   2HB   TRP  21          HB1       TRP  21  -3.133  -6.060   9.140
  152    HD1  TRP  21           HD1      TRP  21  -1.160  -7.486  10.097
  153    HE1  TRP  21           HE1      TRP  21   0.811  -6.934  11.658
  154    HE3  TRP  21           HE3      TRP  21  -2.770  -3.038  12.033
  155    HZ2  TRP  21           HZ2      TRP  21   1.601  -4.890  13.485
  156    HZ3  TRP  21           HZ3      TRP  21  -1.390  -1.817  13.685
  157    HH2  TRP  21           HH2      TRP  21   0.795  -2.735  14.413
  Start of MODEL   15
    1   1H    CYS   1           HT1      CYS   1   8.101  -3.180  -4.553
    2   2H    CYS   1           HT2      CYS   1   7.355  -3.238  -3.028
    3   3H    CYS   1           HT3      CYS   1   8.618  -2.139  -3.319
    4    HA   CYS   1           HA       CYS   1   6.102  -1.403  -3.386
    5   1HB   CYS   1          HB2       CYS   1   8.583  -0.402  -4.316
    6   2HB   CYS   1          HB1       CYS   1   7.411  -0.100  -5.598
    7    H    SER   2           HN       SER   2   4.384  -2.398  -4.367
    8    HA   SER   2           HA       SER   2   4.202  -2.354  -7.267
    9   1HB   SER   2          HB2       SER   2   5.224  -4.392  -7.497
   10   2HB   SER   2          HB1       SER   2   4.882  -4.866  -5.836
   11    HG   SER   2           HG       SER   2   3.610  -6.084  -7.222
   12    H    CYS   3           HN       CYS   3   2.282  -1.183  -6.876
   13    HA   CYS   3           HA       CYS   3   0.016  -2.861  -5.924
   14   1HB   CYS   3          HB2       CYS   3   0.377  -1.520  -4.004
   15   2HB   CYS   3          HB1       CYS   3   0.783  -0.098  -4.963
   16    H    SER   4           HN       SER   4  -2.102  -1.987  -6.754
   17    HA   SER   4           HA       SER   4  -2.003  -1.391  -9.525
   18   1HB   SER   4          HB2       SER   4  -4.056  -2.270  -8.794
   19   2HB   SER   4          HB1       SER   4  -4.148  -1.165  -7.426
   20    HG   SER   4           HG       SER   4  -5.257  -0.871  -9.769
   21    H    SER   5           HN       SER   5  -2.898   0.785  -6.846
   22    HA   SER   5           HA       SER   5  -1.676   3.015  -8.389
   23   1HB   SER   5          HB2       SER   5  -3.680   3.997  -8.717
   24   2HB   SER   5          HB1       SER   5  -4.478   2.645  -7.924
   25    HG   SER   5           HG       SER   5  -4.114   5.143  -7.041
   26    H    LEU   6           HN       LEU   6  -0.141   3.904  -7.056
   27    HA   LEU   6           HA       LEU   6   0.253   3.213  -4.358
   28   1HB   LEU   6          HB2       LEU   6   1.298   5.335  -6.153
   29   2HB   LEU   6          HB1       LEU   6   1.478   5.616  -4.422
   30    HG   LEU   6           HG       LEU   6   2.430   3.283  -4.233
   31   1HD1  LEU   6          HD11      LEU   6   3.361   2.393  -6.430
   32   2HD1  LEU   6          HD12      LEU   6   2.284   3.527  -7.244
   33   3HD1  LEU   6          HD13      LEU   6   1.616   2.248  -6.229
   34   1HD2  LEU   6          HD21      LEU   6   4.489   4.219  -4.408
   35   2HD2  LEU   6          HD22      LEU   6   3.639   5.678  -4.920
   36   3HD2  LEU   6          HD23      LEU   6   4.275   4.559  -6.126
   37    H    MET   7           HN       MET   7  -2.123   5.408  -5.592
   38    HA   MET   7           HA       MET   7  -2.268   6.972  -3.113
   39   1HB   MET   7          HB2       MET   7  -2.811   8.166  -5.115
   40   2HB   MET   7          HB1       MET   7  -3.952   6.924  -5.629
   41   1HG   MET   7          HG2       MET   7  -5.606   7.688  -4.251
   42   2HG   MET   7          HG1       MET   7  -4.477   8.103  -2.961
   43   1HE   MET   7          HE1       MET   7  -3.420  11.097  -2.915
   44   2HE   MET   7          HE2       MET   7  -4.402   9.846  -2.159
   45   3HE   MET   7          HE3       MET   7  -5.155  11.350  -2.683
   46    H    ASP   8           HN       ASP   8  -3.367   3.916  -4.022
   47    HA   ASP   8           HA       ASP   8  -5.992   3.861  -2.905
   48   1HB   ASP   8          HB2       ASP   8  -4.555   2.018  -4.210
   49   2HB   ASP   8          HB1       ASP   8  -4.223   1.477  -2.566
   50    H    LYS   9           HN       LYS   9  -5.992   1.975  -0.889
   51    HA   LYS   9           HA       LYS   9  -4.585   3.417   1.320
   52   1HB   LYS   9          HB2       LYS   9  -7.144   1.801   1.547
   53   2HB   LYS   9          HB1       LYS   9  -6.424   2.831   2.783
   54   1HG   LYS   9          HG2       LYS   9  -7.322   3.892   0.087
   55   2HG   LYS   9          HG1       LYS   9  -8.373   3.865   1.503
   56   1HD   LYS   9          HD2       LYS   9  -7.483   5.933   1.873
   57   2HD   LYS   9          HD1       LYS   9  -6.163   5.005   2.586
   58   1HE   LYS   9          HE2       LYS   9  -4.734   5.511   0.894
   59   2HE   LYS   9          HE1       LYS   9  -5.979   5.314  -0.338
   60   1HZ   LYS   9          HZ1       LYS   9  -6.905   7.476   0.436
   61   2HZ   LYS   9          HZ2       LYS   9  -5.373   7.589  -0.290
   62   3HZ   LYS   9          HZ3       LYS   9  -5.524   7.671   1.401
   63    H    GLU  10           HN       GLU  10  -6.149   0.167   1.156
   64    HA   GLU  10           HA       GLU  10  -4.037  -0.980   2.748
   65   1HB   GLU  10          HB2       GLU  10  -6.504  -1.937   1.399
   66   2HB   GLU  10          HB1       GLU  10  -5.248  -3.147   1.681
   67   1HG   GLU  10          HG2       GLU  10  -5.155  -2.510   4.047
   68   2HG   GLU  10          HG1       GLU  10  -6.406  -1.298   3.772
   69    H    CYS  11           HN       CYS  11  -4.713  -0.809  -0.703
   70    HA   CYS  11           HA       CYS  11  -2.679  -2.724  -1.439
   71   1HB   CYS  11          HB2       CYS  11  -4.576  -2.101  -2.937
   72   2HB   CYS  11          HB1       CYS  11  -3.895  -0.481  -3.085
   73    H    VAL  12           HN       VAL  12  -2.593   0.357  -0.157
   74    HA   VAL  12           HA       VAL  12  -0.150   1.254  -1.498
   75    HB   VAL  12           HB       VAL  12  -2.003   2.336   0.601
   76   1HG1  VAL  12          HG11      VAL  12   0.853   2.884   0.366
   77   2HG1  VAL  12          HG12      VAL  12  -0.276   3.312   1.651
   78   3HG1  VAL  12          HG13      VAL  12  -0.147   4.327   0.214
   79   1HG2  VAL  12          HG21      VAL  12  -1.949   4.258  -1.038
   80   2HG2  VAL  12          HG22      VAL  12  -2.606   2.753  -1.680
   81   3HG2  VAL  12          HG23      VAL  12  -0.961   3.241  -2.085
   82    H    TYR  13           HN       TYR  13  -1.058  -0.172   1.633
   83    HA   TYR  13           HA       TYR  13   1.379   0.237   3.004
   84   1HB   TYR  13          HB2       TYR  13  -0.461  -2.166   3.161
   85   2HB   TYR  13          HB1       TYR  13   0.724  -1.687   4.378
   86    HD1  TYR  13           HD1      TYR  13  -2.468  -1.905   4.462
   87    HD2  TYR  13           HD2      TYR  13   0.345   1.323   4.120
   88    HE1  TYR  13           HE1      TYR  13  -4.121  -0.355   5.469
   89    HE2  TYR  13           HE2      TYR  13  -1.308   2.871   5.127
   90    HH   TYR  13           HH       TYR  13  -3.620   2.206   6.876
   91    H    PHE  14           HN       PHE  14   0.604  -1.924   0.393
   92    HA   PHE  14           HA       PHE  14   2.699  -3.820   0.810
   93   1HB   PHE  14          HB2       PHE  14   1.550  -2.961  -1.856
   94   2HB   PHE  14          HB1       PHE  14   2.300  -4.510  -1.466
   95    HD1  PHE  14           HD1      PHE  14   0.958  -4.408   1.441
   96    HD2  PHE  14           HD2      PHE  14  -0.520  -4.173  -2.586
   97    HE1  PHE  14           HE1      PHE  14  -1.235  -5.277   2.197
   98    HE2  PHE  14           HE2      PHE  14  -2.715  -5.042  -1.827
   99    HZ   PHE  14           HZ       PHE  14  -3.072  -5.594   0.565
  100    H    CYS  15           HN       CYS  15   2.693  -0.589  -0.584
  101    HA   CYS  15           HA       CYS  15   5.368  -0.916  -1.746
  102   1HB   CYS  15          HB2       CYS  15   3.243   1.026  -1.884
  103   2HB   CYS  15          HB1       CYS  15   4.759   1.830  -1.505
  104    H    HIS  16           HN       HIS  16   4.826  -1.209   1.282
  105    HA   HIS  16           HA       HIS  16   6.237  -0.850   3.140
  106   1HB   HIS  16          HB2       HIS  16   7.830  -0.062   0.979
  107   2HB   HIS  16          HB1       HIS  16   7.862   1.316   2.079
  108    HD1  HIS  16           HD1      HIS  16   9.903   1.097   3.493
  109    HD2  HIS  16           HD2      HIS  16   8.020  -2.583   2.945
  110    HE1  HIS  16           HE1      HIS  16  11.194  -0.582   4.883
  111    H    LEU  17           HN       LEU  17   3.760   0.545   2.796
  112    HA   LEU  17           HA       LEU  17   4.397   3.258   3.837
  113   1HB   LEU  17          HB2       LEU  17   1.998   2.079   2.450
  114   2HB   LEU  17          HB1       LEU  17   1.910   3.589   3.323
  115    HG   LEU  17           HG       LEU  17   4.114   4.095   1.883
  116   1HD1  LEU  17          HD11      LEU  17   4.341   2.883  -0.021
  117   2HD1  LEU  17          HD12      LEU  17   2.599   2.788  -0.280
  118   3HD1  LEU  17          HD13      LEU  17   3.389   1.670   0.834
  119   1HD2  LEU  17          HD21      LEU  17   1.891   4.577   0.128
  120   2HD2  LEU  17          HD22      LEU  17   2.732   5.725   1.171
  121   3HD2  LEU  17          HD23      LEU  17   1.361   4.809   1.795
  122    H    ASP  18           HN       ASP  18   4.852   1.724   5.839
  123    HA   ASP  18           HA       ASP  18   4.137   0.826   7.908
  124   1HB   ASP  18          HB2       ASP  18   4.055   3.159   8.434
  125   2HB   ASP  18          HB1       ASP  18   2.542   3.372   7.554
  126    H    ILE  19           HN       ILE  19   3.062  -1.067   6.764
  127    HA   ILE  19           HA       ILE  19   0.299  -1.050   6.083
  128    HB   ILE  19           HB       ILE  19   0.485  -3.379   5.903
  129   1HG1  ILE  19          HG12      ILE  19   2.666  -3.332   8.015
  130   2HG1  ILE  19          HG11      ILE  19   0.979  -3.741   8.330
  131   1HG2  ILE  19          HG21      ILE  19   3.402  -3.160   5.863
  132   2HG2  ILE  19          HG22      ILE  19   2.598  -1.838   5.018
  133   3HG2  ILE  19          HG23      ILE  19   2.283  -3.508   4.546
  134   1HD1  ILE  19          HD11      ILE  19   1.488  -5.395   6.241
  135   2HD1  ILE  19          HD12      ILE  19   1.688  -5.865   7.929
  136   3HD1  ILE  19          HD13      ILE  19   3.083  -5.332   6.992
  137    H    ILE  20           HN       ILE  20  -1.491  -0.944   7.385
  138    HA   ILE  20           HA       ILE  20  -1.054  -1.503  10.300
  139    HB   ILE  20           HB       ILE  20  -2.889   0.467   8.918
  140   1HG1  ILE  20          HG12      ILE  20  -0.671   1.332   9.287
  141   2HG1  ILE  20          HG11      ILE  20  -1.706   2.015  10.538
  142   1HG2  ILE  20          HG21      ILE  20  -4.347   0.239  10.617
  143   2HG2  ILE  20          HG22      ILE  20  -3.068   0.694  11.743
  144   3HG2  ILE  20          HG23      ILE  20  -3.335  -1.005  11.350
  145   1HD1  ILE  20          HD11      ILE  20  -0.923  -0.225  11.811
  146   2HD1  ILE  20          HD12      ILE  20  -0.017   1.285  11.904
  147   3HD1  ILE  20          HD13      ILE  20   0.486   0.023  10.780
  148    H    TRP  21           HN       TRP  21  -1.539  -3.767   9.749
  149    HA   TRP  21           HA       TRP  21  -3.964  -4.650   8.591
  150   1HB   TRP  21          HB2       TRP  21  -3.596  -6.617  10.392
  151   2HB   TRP  21          HB1       TRP  21  -2.650  -6.490   8.917
  152    HD1  TRP  21           HD1      TRP  21  -0.562  -7.652   9.980
  153    HE1  TRP  21           HE1      TRP  21   1.232  -6.858  11.646
  154    HE3  TRP  21           HE3      TRP  21  -2.840  -3.464  11.823
  155    HZ2  TRP  21           HZ2      TRP  21   1.650  -4.742  13.512
  156    HZ3  TRP  21           HZ3      TRP  21  -1.723  -2.085  13.548
  157    HH2  TRP  21           HH2      TRP  21   0.519  -2.716  14.395
  Start of MODEL   16
    1   1H    CYS   1           HT1      CYS   1   8.289  -3.502  -4.623
    2   2H    CYS   1           HT2      CYS   1   8.426  -3.224  -2.953
    3   3H    CYS   1           HT3      CYS   1   8.859  -2.008  -4.057
    4    HA   CYS   1           HA       CYS   1   6.296  -2.644  -2.967
    5   1HB   CYS   1          HB2       CYS   1   7.190  -0.412  -2.832
    6   2HB   CYS   1          HB1       CYS   1   7.493  -0.367  -4.569
    7    H    SER   2           HN       SER   2   4.298  -2.592  -4.197
    8    HA   SER   2           HA       SER   2   4.191  -2.595  -7.051
    9   1HB   SER   2          HB2       SER   2   4.075  -4.891  -7.607
   10   2HB   SER   2          HB1       SER   2   5.456  -4.785  -6.519
   11    HG   SER   2           HG       SER   2   3.281  -6.248  -6.246
   12    H    CYS   3           HN       CYS   3   2.269  -1.449  -6.791
   13    HA   CYS   3           HA       CYS   3  -0.027  -3.047  -5.774
   14   1HB   CYS   3          HB2       CYS   3   0.372  -1.607  -3.925
   15   2HB   CYS   3          HB1       CYS   3   0.743  -0.234  -4.966
   16    H    SER   4           HN       SER   4  -2.127  -2.200  -6.653
   17    HA   SER   4           HA       SER   4  -1.998  -1.705  -9.451
   18   1HB   SER   4          HB2       SER   4  -4.043  -2.600  -8.715
   19   2HB   SER   4          HB1       SER   4  -4.173  -1.452  -7.386
   20    HG   SER   4           HG       SER   4  -4.100  -0.497 -10.021
   21    H    SER   5           HN       SER   5  -2.958   0.541  -6.848
   22    HA   SER   5           HA       SER   5  -1.783   2.742  -8.470
   23   1HB   SER   5          HB2       SER   5  -3.812   3.665  -8.808
   24   2HB   SER   5          HB1       SER   5  -4.572   2.334  -7.945
   25    HG   SER   5           HG       SER   5  -4.377   3.462  -6.053
   26    H    LEU   6           HN       LEU   6  -0.255   3.721  -7.192
   27    HA   LEU   6           HA       LEU   6   0.174   3.128  -4.466
   28   1HB   LEU   6          HB2       LEU   6   1.184   5.188  -6.353
   29   2HB   LEU   6          HB1       LEU   6   1.377   5.535  -4.636
   30    HG   LEU   6           HG       LEU   6   2.352   3.219  -4.370
   31   1HD1  LEU   6          HD11      LEU   6   3.167   2.104  -6.408
   32   2HD1  LEU   6          HD12      LEU   6   2.414   3.354  -7.399
   33   3HD1  LEU   6          HD13      LEU   6   1.411   2.262  -6.445
   34   1HD2  LEU   6          HD21      LEU   6   4.454   3.992  -5.907
   35   2HD2  LEU   6          HD22      LEU   6   4.088   4.714  -4.340
   36   3HD2  LEU   6          HD23      LEU   6   3.559   5.510  -5.823
   37    H    MET   7           HN       MET   7  -2.237   5.242  -5.769
   38    HA   MET   7           HA       MET   7  -2.371   6.913  -3.362
   39   1HB   MET   7          HB2       MET   7  -2.948   8.012  -5.409
   40   2HB   MET   7          HB1       MET   7  -4.082   6.737  -5.853
   41   1HG   MET   7          HG2       MET   7  -5.728   7.549  -4.494
   42   2HG   MET   7          HG1       MET   7  -4.589   8.030  -3.236
   43   1HE   MET   7          HE1       MET   7  -4.269  11.325  -3.179
   44   2HE   MET   7          HE2       MET   7  -2.853  10.780  -4.075
   45   3HE   MET   7          HE3       MET   7  -3.577   9.728  -2.861
   46    H    ASP   8           HN       ASP   8  -3.454   3.810  -4.120
   47    HA   ASP   8           HA       ASP   8  -6.064   3.785  -2.970
   48   1HB   ASP   8          HB2       ASP   8  -4.614   1.893  -4.200
   49   2HB   ASP   8          HB1       ASP   8  -4.282   1.429  -2.533
   50    H    LYS   9           HN       LYS   9  -5.846   1.865  -0.886
   51    HA   LYS   9           HA       LYS   9  -4.480   3.474   1.238
   52   1HB   LYS   9          HB2       LYS   9  -6.957   1.815   1.727
   53   2HB   LYS   9          HB1       LYS   9  -6.286   3.101   2.727
   54   1HG   LYS   9          HG2       LYS   9  -7.554   3.449  -0.013
   55   2HG   LYS   9          HG1       LYS   9  -8.272   3.921   1.526
   56   1HD   LYS   9          HD2       LYS   9  -5.929   5.150   0.086
   57   2HD   LYS   9          HD1       LYS   9  -7.368   5.936   0.732
   58   1HE   LYS   9          HE2       LYS   9  -6.406   4.958   3.030
   59   2HE   LYS   9          HE1       LYS   9  -4.883   5.073   2.148
   60   1HZ   LYS   9          HZ1       LYS   9  -6.674   7.186   3.053
   61   2HZ   LYS   9          HZ2       LYS   9  -5.922   7.419   1.547
   62   3HZ   LYS   9          HZ3       LYS   9  -4.982   7.171   2.941
   63    H    GLU  10           HN       GLU  10  -6.041   0.235   1.303
   64    HA   GLU  10           HA       GLU  10  -3.902  -0.856   2.884
   65   1HB   GLU  10          HB2       GLU  10  -6.401  -1.845   1.633
   66   2HB   GLU  10          HB1       GLU  10  -5.144  -3.057   1.898
   67   1HG   GLU  10          HG2       GLU  10  -4.962  -2.341   4.249
   68   2HG   GLU  10          HG1       GLU  10  -6.247  -1.164   3.981
   69    H    CYS  11           HN       CYS  11  -4.617  -0.783  -0.556
   70    HA   CYS  11           HA       CYS  11  -2.602  -2.745  -1.252
   71   1HB   CYS  11          HB2       CYS  11  -4.537  -2.195  -2.732
   72   2HB   CYS  11          HB1       CYS  11  -3.867  -0.581  -2.967
   73    H    VAL  12           HN       VAL  12  -2.549   0.441  -0.188
   74    HA   VAL  12           HA       VAL  12  -0.123   1.280  -1.583
   75    HB   VAL  12           HB       VAL  12  -1.890   2.435   0.562
   76   1HG1  VAL  12          HG11      VAL  12   0.730   3.534  -0.451
   77   2HG1  VAL  12          HG12      VAL  12   0.371   3.028   1.201
   78   3HG1  VAL  12          HG13      VAL  12  -0.440   4.437   0.513
   79   1HG2  VAL  12          HG21      VAL  12  -2.104   4.226  -1.184
   80   2HG2  VAL  12          HG22      VAL  12  -2.689   2.647  -1.709
   81   3HG2  VAL  12          HG23      VAL  12  -1.116   3.229  -2.253
   82    H    TYR  13           HN       TYR  13  -0.963  -0.087   1.576
   83    HA   TYR  13           HA       TYR  13   1.363   0.437   3.032
   84   1HB   TYR  13          HB2       TYR  13  -0.119  -2.205   2.964
   85   2HB   TYR  13          HB1       TYR  13   0.882  -1.597   4.280
   86    HD1  TYR  13           HD1      TYR  13  -2.042  -2.400   4.539
   87    HD2  TYR  13           HD2      TYR  13  -0.170   1.372   3.690
   88    HE1  TYR  13           HE1      TYR  13  -4.002  -1.213   5.487
   89    HE2  TYR  13           HE2      TYR  13  -2.131   2.558   4.637
   90    HH   TYR  13           HH       TYR  13  -4.812   1.740   4.919
   91    H    PHE  14           HN       PHE  14   0.950  -1.676   0.287
   92    HA   PHE  14           HA       PHE  14   3.232  -3.336   0.684
   93   1HB   PHE  14          HB2       PHE  14   2.130  -2.430  -1.985
   94   2HB   PHE  14          HB1       PHE  14   3.001  -3.925  -1.636
   95    HD1  PHE  14           HD1      PHE  14   0.131  -3.586  -2.831
   96    HD2  PHE  14           HD2      PHE  14   1.609  -4.302   1.138
   97    HE1  PHE  14           HE1      PHE  14  -2.004  -4.699  -2.234
   98    HE2  PHE  14           HE2      PHE  14  -0.525  -5.412   1.735
   99    HZ   PHE  14           HZ       PHE  14  -2.332  -5.611   0.050
  100    H    CYS  15           HN       CYS  15   2.920  -0.068  -0.578
  101    HA   CYS  15           HA       CYS  15   5.672  -0.021  -1.584
  102   1HB   CYS  15          HB2       CYS  15   3.347   1.573  -1.911
  103   2HB   CYS  15          HB1       CYS  15   4.585   2.612  -1.206
  104    H    HIS  16           HN       HIS  16   5.007  -0.511   1.393
  105    HA   HIS  16           HA       HIS  16   6.262  -0.076   3.342
  106   1HB   HIS  16          HB2       HIS  16   7.558   2.267   1.963
  107   2HB   HIS  16          HB1       HIS  16   8.208   1.238   3.239
  108    HD1  HIS  16           HD1      HIS  16   7.621  -1.533   2.013
  109    HD2  HIS  16           HD2      HIS  16   9.289   1.631  -0.128
  110    HE1  HIS  16           HE1      HIS  16   8.854  -2.564   0.054
  111    H    LEU  17           HN       LEU  17   3.650   1.019   2.899
  112    HA   LEU  17           HA       LEU  17   3.866   3.735   4.076
  113   1HB   LEU  17          HB2       LEU  17   1.618   2.298   2.658
  114   2HB   LEU  17          HB1       LEU  17   1.471   3.878   3.383
  115    HG   LEU  17           HG       LEU  17   1.948   4.339   1.109
  116   1HD1  LEU  17          HD11      LEU  17   4.671   4.340   2.428
  117   2HD1  LEU  17          HD12      LEU  17   3.420   5.530   2.784
  118   3HD1  LEU  17          HD13      LEU  17   4.097   5.421   1.159
  119   1HD2  LEU  17          HD21      LEU  17   3.250   1.792   1.261
  120   2HD2  LEU  17          HD22      LEU  17   4.400   2.966   0.623
  121   3HD2  LEU  17          HD23      LEU  17   2.847   2.727  -0.179
  122    H    ASP  18           HN       ASP  18   4.429   2.184   6.055
  123    HA   ASP  18           HA       ASP  18   3.740   1.115   8.043
  124   1HB   ASP  18          HB2       ASP  18   2.193   2.510   9.303
  125   2HB   ASP  18          HB1       ASP  18   3.300   3.540   8.400
  126    H    ILE  19           HN       ILE  19   2.963  -0.840   6.773
  127    HA   ILE  19           HA       ILE  19   0.251  -1.136   5.965
  128    HB   ILE  19           HB       ILE  19   0.738  -3.407   5.686
  129   1HG1  ILE  19          HG12      ILE  19   2.781  -3.218   7.922
  130   2HG1  ILE  19          HG11      ILE  19   1.137  -3.826   8.123
  131   1HG2  ILE  19          HG21      ILE  19   2.696  -1.593   4.994
  132   2HG2  ILE  19          HG22      ILE  19   2.622  -3.268   4.447
  133   3HG2  ILE  19          HG23      ILE  19   3.609  -2.839   5.845
  134   1HD1  ILE  19          HD11      ILE  19   1.924  -5.853   7.553
  135   2HD1  ILE  19          HD12      ILE  19   3.472  -5.179   7.044
  136   3HD1  ILE  19          HD13      ILE  19   2.116  -5.224   5.917
  137    H    ILE  20           HN       ILE  20  -1.590  -1.300   7.185
  138    HA   ILE  20           HA       ILE  20  -1.209  -1.934  10.092
  139    HB   ILE  20           HB       ILE  20  -3.207  -0.130   8.707
  140   1HG1  ILE  20          HG12      ILE  20  -1.125   0.971   9.207
  141   2HG1  ILE  20          HG11      ILE  20  -2.281   1.471  10.438
  142   1HG2  ILE  20          HG21      ILE  20  -3.572  -1.750  11.057
  143   2HG2  ILE  20          HG22      ILE  20  -4.695  -0.601  10.329
  144   3HG2  ILE  20          HG23      ILE  20  -3.523  -0.051  11.527
  145   1HD1  ILE  20          HD11      ILE  20  -1.343  -0.598  11.761
  146   2HD1  ILE  20          HD12      ILE  20  -0.438   0.915  11.751
  147   3HD1  ILE  20          HD13      ILE  20   0.044  -0.407  10.687
  148    H    TRP  21           HN       TRP  21  -1.402  -4.211   9.438
  149    HA   TRP  21           HA       TRP  21  -3.657  -5.320   8.137
  150   1HB   TRP  21          HB2       TRP  21  -3.136  -7.305   9.879
  151   2HB   TRP  21          HB1       TRP  21  -2.153  -7.008   8.452
  152    HD1  TRP  21           HD1      TRP  21   0.014  -7.963   9.560
  153    HE1  TRP  21           HE1      TRP  21   1.636  -7.039  11.333
  154    HE3  TRP  21           HE3      TRP  21  -2.811  -4.151  11.460
  155    HZ2  TRP  21           HZ2      TRP  21   1.728  -4.970  13.295
  156    HZ3  TRP  21           HZ3      TRP  21  -1.933  -2.728  13.284
  157    HH2  TRP  21           HH2      TRP  21   0.334  -3.130  14.203
  Start of MODEL   17
    1   1H    CYS   1           HT1      CYS   1   7.185  -3.484  -3.271
    2   2H    CYS   1           HT2      CYS   1   8.107  -2.187  -2.677
    3   3H    CYS   1           HT3      CYS   1   8.363  -2.763  -4.255
    4    HA   CYS   1           HA       CYS   1   5.929  -1.393  -3.250
    5   1HB   CYS   1          HB2       CYS   1   8.393  -0.513  -4.552
    6   2HB   CYS   1          HB1       CYS   1   6.958  -0.065  -5.471
    7    H    SER   2           HN       SER   2   4.261  -2.573  -4.121
    8    HA   SER   2           HA       SER   2   4.081  -2.748  -7.031
    9   1HB   SER   2          HB2       SER   2   5.058  -4.813  -7.082
   10   2HB   SER   2          HB1       SER   2   4.772  -5.099  -5.368
   11    HG   SER   2           HG       SER   2   2.873  -5.245  -7.479
   12    H    CYS   3           HN       CYS   3   2.183  -1.494  -6.711
   13    HA   CYS   3           HA       CYS   3  -0.123  -3.077  -5.699
   14   1HB   CYS   3          HB2       CYS   3   0.275  -1.671  -3.828
   15   2HB   CYS   3          HB1       CYS   3   0.682  -0.289  -4.843
   16    H    SER   4           HN       SER   4  -2.215  -2.185  -6.572
   17    HA   SER   4           HA       SER   4  -2.093  -1.695  -9.361
   18   1HB   SER   4          HB2       SER   4  -4.173  -2.486  -8.608
   19   2HB   SER   4          HB1       SER   4  -4.235  -1.332  -7.279
   20    HG   SER   4           HG       SER   4  -4.202  -0.481  -9.970
   21    H    SER   5           HN       SER   5  -2.928   0.608  -6.770
   22    HA   SER   5           HA       SER   5  -1.619   2.737  -8.377
   23   1HB   SER   5          HB2       SER   5  -3.599   3.719  -8.830
   24   2HB   SER   5          HB1       SER   5  -4.453   2.470  -7.933
   25    HG   SER   5           HG       SER   5  -4.786   4.555  -7.047
   26    H    LEU   6           HN       LEU   6  -0.105   3.653  -7.037
   27    HA   LEU   6           HA       LEU   6   0.185   3.073  -4.299
   28   1HB   LEU   6          HB2       LEU   6   1.334   5.094  -6.148
   29   2HB   LEU   6          HB1       LEU   6   1.462   5.446  -4.424
   30    HG   LEU   6           HG       LEU   6   2.360   3.109  -4.103
   31   1HD1  LEU   6          HD11      LEU   6   1.400   2.339  -6.351
   32   2HD1  LEU   6          HD12      LEU   6   3.042   1.813  -5.977
   33   3HD1  LEU   6          HD13      LEU   6   2.777   3.152  -7.094
   34   1HD2  LEU   6          HD21      LEU   6   3.644   5.438  -4.839
   35   2HD2  LEU   6          HD22      LEU   6   4.274   4.277  -6.008
   36   3HD2  LEU   6          HD23      LEU   6   4.454   3.975  -4.279
   37    H    MET   7           HN       MET   7  -2.101   5.253  -5.715
   38    HA   MET   7           HA       MET   7  -2.308   6.952  -3.346
   39   1HB   MET   7          HB2       MET   7  -2.836   8.086  -5.336
   40   2HB   MET   7          HB1       MET   7  -3.796   6.749  -5.961
   41   1HG   MET   7          HG2       MET   7  -5.280   8.528  -5.237
   42   2HG   MET   7          HG1       MET   7  -5.464   7.154  -4.150
   43   1HE   MET   7          HE1       MET   7  -5.830  10.771  -2.486
   44   2HE   MET   7          HE2       MET   7  -6.538   9.197  -2.133
   45   3HE   MET   7          HE3       MET   7  -6.489   9.780  -3.795
   46    H    ASP   8           HN       ASP   8  -3.434   3.851  -4.141
   47    HA   ASP   8           HA       ASP   8  -6.053   3.836  -3.043
   48   1HB   ASP   8          HB2       ASP   8  -4.563   1.925  -4.194
   49   2HB   ASP   8          HB1       ASP   8  -4.285   1.492  -2.509
   50    H    LYS   9           HN       LYS   9  -5.693   1.838  -0.943
   51    HA   LYS   9           HA       LYS   9  -4.453   3.513   1.200
   52   1HB   LYS   9          HB2       LYS   9  -7.032   1.972   1.580
   53   2HB   LYS   9          HB1       LYS   9  -6.318   3.164   2.662
   54   1HG   LYS   9          HG2       LYS   9  -7.257   3.807  -0.151
   55   2HG   LYS   9          HG1       LYS   9  -8.258   4.042   1.280
   56   1HD   LYS   9          HD2       LYS   9  -5.712   5.471   0.517
   57   2HD   LYS   9          HD1       LYS   9  -7.282   6.158   0.930
   58   1HE   LYS   9          HE2       LYS   9  -6.855   4.964   3.246
   59   2HE   LYS   9          HE1       LYS   9  -5.167   5.043   2.743
   60   1HZ   LYS   9          HZ1       LYS   9  -5.279   7.376   2.559
   61   2HZ   LYS   9          HZ2       LYS   9  -6.002   6.993   4.048
   62   3HZ   LYS   9          HZ3       LYS   9  -6.968   7.394   2.709
   63    H    GLU  10           HN       GLU  10  -6.116   0.324   1.305
   64    HA   GLU  10           HA       GLU  10  -4.020  -0.787   2.939
   65   1HB   GLU  10          HB2       GLU  10  -6.101  -1.806   3.293
   66   2HB   GLU  10          HB1       GLU  10  -6.478  -1.857   1.572
   67   1HG   GLU  10          HG2       GLU  10  -5.458  -3.857   1.294
   68   2HG   GLU  10          HG1       GLU  10  -4.075  -3.386   2.283
   69    H    CYS  11           HN       CYS  11  -4.709  -0.726  -0.506
   70    HA   CYS  11           HA       CYS  11  -2.745  -2.763  -1.200
   71   1HB   CYS  11          HB2       CYS  11  -4.660  -2.192  -2.685
   72   2HB   CYS  11          HB1       CYS  11  -3.983  -0.579  -2.910
   73    H    VAL  12           HN       VAL  12  -2.613   0.432  -0.150
   74    HA   VAL  12           HA       VAL  12  -0.190   1.211  -1.577
   75    HB   VAL  12           HB       VAL  12  -1.885   2.400   0.609
   76   1HG1  VAL  12          HG11      VAL  12   0.708   3.513  -0.456
   77   2HG1  VAL  12          HG12      VAL  12   0.463   2.866   1.167
   78   3HG1  VAL  12          HG13      VAL  12  -0.392   4.323   0.660
   79   1HG2  VAL  12          HG21      VAL  12  -2.719   2.681  -1.636
   80   2HG2  VAL  12          HG22      VAL  12  -1.131   3.181  -2.214
   81   3HG2  VAL  12          HG23      VAL  12  -2.040   4.225  -1.122
   82    H    TYR  13           HN       TYR  13  -1.005  -0.136   1.600
   83    HA   TYR  13           HA       TYR  13   1.371   0.304   3.002
   84   1HB   TYR  13          HB2       TYR  13  -0.221  -2.274   2.974
   85   2HB   TYR  13          HB1       TYR  13   0.844  -1.716   4.261
   86    HD1  TYR  13           HD1      TYR  13  -0.006   1.288   3.844
   87    HD2  TYR  13           HD2      TYR  13  -2.177  -2.367   4.461
   88    HE1  TYR  13           HE1      TYR  13  -1.879   2.569   4.843
   89    HE2  TYR  13           HE2      TYR  13  -4.050  -1.086   5.461
   90    HH   TYR  13           HH       TYR  13  -3.826   1.900   6.609
   91    H    PHE  14           HN       PHE  14   0.823  -1.792   0.271
   92    HA   PHE  14           HA       PHE  14   3.057  -3.532   0.631
   93   1HB   PHE  14          HB2       PHE  14   1.893  -2.622  -2.010
   94   2HB   PHE  14          HB1       PHE  14   2.744  -4.133  -1.680
   95    HD1  PHE  14           HD1      PHE  14   1.451  -4.478   1.138
   96    HD2  PHE  14           HD2      PHE  14  -0.163  -3.723  -2.771
   97    HE1  PHE  14           HE1      PHE  14  -0.683  -5.539   1.816
   98    HE2  PHE  14           HE2      PHE  14  -2.299  -4.785  -2.091
   99    HZ   PHE  14           HZ       PHE  14  -2.559  -5.692   0.203
  100    H    CYS  15           HN       CYS  15   2.818  -0.272  -0.675
  101    HA   CYS  15           HA       CYS  15   5.532  -0.344  -1.772
  102   1HB   CYS  15          HB2       CYS  15   3.253   1.354  -2.004
  103   2HB   CYS  15          HB1       CYS  15   4.598   2.335  -1.433
  104    H    HIS  16           HN       HIS  16   4.983  -0.769   1.231
  105    HA   HIS  16           HA       HIS  16   6.323  -0.336   3.122
  106   1HB   HIS  16          HB2       HIS  16   7.964   0.446   1.116
  107   2HB   HIS  16          HB1       HIS  16   7.696   1.999   1.909
  108    HD1  HIS  16           HD1      HIS  16   7.551   1.173   4.834
  109    HD2  HIS  16           HD2      HIS  16  10.387  -0.370   2.195
  110    HE1  HIS  16           HE1      HIS  16   9.474   0.339   6.256
  111    H    LEU  17           HN       LEU  17   3.734   0.852   2.753
  112    HA   LEU  17           HA       LEU  17   4.098   3.580   3.866
  113   1HB   LEU  17          HB2       LEU  17   1.738   2.200   2.576
  114   2HB   LEU  17          HB1       LEU  17   1.685   3.800   3.271
  115    HG   LEU  17           HG       LEU  17   2.076   4.195   0.969
  116   1HD1  LEU  17          HD11      LEU  17   4.204   5.254   0.925
  117   2HD1  LEU  17          HD12      LEU  17   4.884   4.107   2.079
  118   3HD1  LEU  17          HD13      LEU  17   3.701   5.302   2.614
  119   1HD2  LEU  17          HD21      LEU  17   2.845   2.519  -0.320
  120   2HD2  LEU  17          HD22      LEU  17   3.294   1.604   1.119
  121   3HD2  LEU  17          HD23      LEU  17   4.445   2.723   0.391
  122    H    ASP  18           HN       ASP  18   4.682   2.034   5.852
  123    HA   ASP  18           HA       ASP  18   4.023   1.025   7.888
  124   1HB   ASP  18          HB2       ASP  18   3.749   3.331   8.470
  125   2HB   ASP  18          HB1       ASP  18   2.230   3.442   7.580
  126    H    ILE  19           HN       ILE  19   3.115  -0.903   6.647
  127    HA   ILE  19           HA       ILE  19   0.366  -1.091   5.949
  128    HB   ILE  19           HB       ILE  19   0.740  -3.384   5.686
  129   1HG1  ILE  19          HG12      ILE  19   2.872  -3.275   7.842
  130   2HG1  ILE  19          HG11      ILE  19   1.208  -3.787   8.119
  131   1HG2  ILE  19          HG21      ILE  19   2.548  -3.294   4.348
  132   2HG2  ILE  19          HG22      ILE  19   3.628  -3.019   5.715
  133   3HG2  ILE  19          HG23      ILE  19   2.798  -1.658   4.960
  134   1HD1  ILE  19          HD11      ILE  19   3.409  -5.306   7.029
  135   2HD1  ILE  19          HD12      ILE  19   2.075  -5.244   5.877
  136   3HD1  ILE  19          HD13      ILE  19   1.804  -5.860   7.507
  137    H    ILE  20           HN       ILE  20  -1.437  -1.159   7.232
  138    HA   ILE  20           HA       ILE  20  -0.991  -1.797  10.127
  139    HB   ILE  20           HB       ILE  20  -2.917   0.133   8.815
  140   1HG1  ILE  20          HG12      ILE  20  -0.750   1.095   9.235
  141   2HG1  ILE  20          HG11      ILE  20  -1.823   1.669  10.511
  142   1HG2  ILE  20          HG21      ILE  20  -3.094  -1.337  11.376
  143   2HG2  ILE  20          HG22      ILE  20  -4.364  -0.550  10.440
  144   3HG2  ILE  20          HG23      ILE  20  -3.330   0.406  11.501
  145   1HD1  ILE  20          HD11      ILE  20   0.397  -0.337  10.668
  146   2HD1  ILE  20          HD12      ILE  20  -0.966  -0.483  11.778
  147   3HD1  ILE  20          HD13      ILE  20   0.009   0.988  11.767
  148    H    TRP  21           HN       TRP  21  -1.355  -4.043   9.555
  149    HA   TRP  21           HA       TRP  21  -3.718  -5.023   8.319
  150   1HB   TRP  21          HB2       TRP  21  -3.215  -7.055   9.999
  151   2HB   TRP  21          HB1       TRP  21  -2.266  -6.776   8.547
  152    HD1  TRP  21           HD1      TRP  21  -0.130  -7.879   9.596
  153    HE1  TRP  21           HE1      TRP  21   1.597  -7.058  11.320
  154    HE3  TRP  21           HE3      TRP  21  -2.662  -3.910  11.587
  155    HZ2  TRP  21           HZ2      TRP  21   1.873  -5.002  13.279
  156    HZ3  TRP  21           HZ3      TRP  21  -1.646  -2.545  13.381
  157    HH2  TRP  21           HH2      TRP  21   0.619  -3.082  14.229
  Start of MODEL   18
    1   1H    CYS   1           HT1      CYS   1   7.738  -3.537  -4.153
    2   2H    CYS   1           HT2      CYS   1   7.447  -3.146  -2.526
    3   3H    CYS   1           HT3      CYS   1   8.689  -2.362  -3.384
    4    HA   CYS   1           HA       CYS   1   6.034  -1.566  -3.106
    5   1HB   CYS   1          HB2       CYS   1   8.590  -0.584  -4.056
    6   2HB   CYS   1          HB1       CYS   1   7.286  -0.025  -5.103
    7    H    SER   2           HN       SER   2   4.379  -2.539  -4.221
    8    HA   SER   2           HA       SER   2   4.347  -2.295  -7.126
    9   1HB   SER   2          HB2       SER   2   3.787  -5.086  -6.369
   10   2HB   SER   2          HB1       SER   2   4.660  -4.453  -7.760
   11    HG   SER   2           HG       SER   2   6.483  -4.385  -6.601
   12    H    CYS   3           HN       CYS   3   2.441  -1.080  -6.731
   13    HA   CYS   3           HA       CYS   3   0.090  -2.754  -5.988
   14   1HB   CYS   3          HB2       CYS   3   0.378  -1.470  -4.016
   15   2HB   CYS   3          HB1       CYS   3   0.845  -0.028  -4.917
   16    H    SER   4           HN       SER   4  -1.964  -1.816  -6.904
   17    HA   SER   4           HA       SER   4  -1.702  -1.146  -9.649
   18   1HB   SER   4          HB2       SER   4  -3.802  -2.022  -9.043
   19   2HB   SER   4          HB1       SER   4  -3.960  -0.933  -7.668
   20    HG   SER   4           HG       SER   4  -3.917  -0.122 -10.390
   21    H    SER   5           HN       SER   5  -2.713   0.969  -6.960
   22    HA   SER   5           HA       SER   5  -1.375   3.221  -8.367
   23   1HB   SER   5          HB2       SER   5  -3.338   4.240  -8.800
   24   2HB   SER   5          HB1       SER   5  -4.204   2.879  -8.098
   25    HG   SER   5           HG       SER   5  -4.326   3.910  -6.212
   26    H    LEU   6           HN       LEU   6   0.079   4.063  -6.919
   27    HA   LEU   6           HA       LEU   6   0.288   3.301  -4.216
   28   1HB   LEU   6          HB2       LEU   6   1.479   5.445  -5.890
   29   2HB   LEU   6          HB1       LEU   6   1.550   5.685  -4.144
   30    HG   LEU   6           HG       LEU   6   2.451   3.332  -3.951
   31   1HD1  LEU   6          HD11      LEU   6   1.599   3.000  -6.488
   32   2HD1  LEU   6          HD12      LEU   6   2.911   2.049  -5.793
   33   3HD1  LEU   6          HD13      LEU   6   3.277   3.447  -6.804
   34   1HD2  LEU   6          HD21      LEU   6   4.021   5.356  -5.577
   35   2HD2  LEU   6          HD22      LEU   6   4.734   3.975  -4.743
   36   3HD2  LEU   6          HD23      LEU   6   3.950   5.256  -3.818
   37    H    MET   7           HN       MET   7  -1.968   5.564  -5.552
   38    HA   MET   7           HA       MET   7  -2.250   7.077  -3.056
   39   1HB   MET   7          HB2       MET   7  -2.648   8.318  -5.064
   40   2HB   MET   7          HB1       MET   7  -3.771   7.105  -5.674
   41   1HG   MET   7          HG2       MET   7  -5.498   7.870  -4.390
   42   2HG   MET   7          HG1       MET   7  -4.448   8.239  -3.021
   43   1HE   MET   7          HE1       MET   7  -2.929  11.574  -3.666
   44   2HE   MET   7          HE2       MET   7  -2.561   9.902  -3.252
   45   3HE   MET   7          HE3       MET   7  -3.838  10.755  -2.389
   46    H    ASP   8           HN       ASP   8  -3.336   4.058  -4.098
   47    HA   ASP   8           HA       ASP   8  -6.026   4.032  -3.137
   48   1HB   ASP   8          HB2       ASP   8  -4.542   2.192  -4.409
   49   2HB   ASP   8          HB1       ASP   8  -4.347   1.594  -2.763
   50    H    LYS   9           HN       LYS   9  -6.010   1.958  -1.201
   51    HA   LYS   9           HA       LYS   9  -4.754   3.355   1.131
   52   1HB   LYS   9          HB2       LYS   9  -7.300   1.738   1.316
   53   2HB   LYS   9          HB1       LYS   9  -6.671   2.924   2.458
   54   1HG   LYS   9          HG2       LYS   9  -7.737   3.516  -0.325
   55   2HG   LYS   9          HG1       LYS   9  -8.541   3.898   1.196
   56   1HD   LYS   9          HD2       LYS   9  -6.074   5.150   0.006
   57   2HD   LYS   9          HD1       LYS   9  -7.531   5.934   0.615
   58   1HE   LYS   9          HE2       LYS   9  -6.747   4.751   2.889
   59   2HE   LYS   9          HE1       LYS   9  -5.168   4.898   2.115
   60   1HZ   LYS   9          HZ1       LYS   9  -6.009   6.835   3.535
   61   2HZ   LYS   9          HZ2       LYS   9  -7.023   7.189   2.220
   62   3HZ   LYS   9          HZ3       LYS   9  -5.336   7.192   2.020
   63    H    GLU  10           HN       GLU  10  -6.395   0.168   0.835
   64    HA   GLU  10           HA       GLU  10  -4.406  -1.099   2.477
   65   1HB   GLU  10          HB2       GLU  10  -6.818  -1.931   0.962
   66   2HB   GLU  10          HB1       GLU  10  -5.618  -3.190   1.264
   67   1HG   GLU  10          HG2       GLU  10  -5.646  -2.678   3.648
   68   2HG   GLU  10          HG1       GLU  10  -6.798  -1.372   3.371
   69    H    CYS  11           HN       CYS  11  -4.860  -0.766  -0.994
   70    HA   CYS  11           HA       CYS  11  -2.828  -2.723  -1.667
   71   1HB   CYS  11          HB2       CYS  11  -4.632  -2.076  -3.253
   72   2HB   CYS  11          HB1       CYS  11  -3.964  -0.446  -3.325
   73    H    VAL  12           HN       VAL  12  -2.780   0.341  -0.337
   74    HA   VAL  12           HA       VAL  12  -0.272   1.241  -1.545
   75    HB   VAL  12           HB       VAL  12  -2.154   2.290   0.556
   76   1HG1  VAL  12          HG11      VAL  12   0.511   3.482  -0.202
   77   2HG1  VAL  12          HG12      VAL  12   0.146   2.711   1.342
   78   3HG1  VAL  12          HG13      VAL  12  -0.685   4.196   0.880
   79   1HG2  VAL  12          HG21      VAL  12  -2.772   2.699  -1.743
   80   2HG2  VAL  12          HG22      VAL  12  -1.144   3.264  -2.123
   81   3HG2  VAL  12          HG23      VAL  12  -2.181   4.212  -1.057
   82    H    TYR  13           HN       TYR  13  -1.322  -0.254   1.511
   83    HA   TYR  13           HA       TYR  13   0.992   0.094   3.054
   84   1HB   TYR  13          HB2       TYR  13  -0.623  -2.463   2.911
   85   2HB   TYR  13          HB1       TYR  13   0.299  -1.859   4.284
   86    HD1  TYR  13           HD1      TYR  13  -2.710  -2.556   4.214
   87    HD2  TYR  13           HD2      TYR  13  -0.552   1.122   3.696
   88    HE1  TYR  13           HE1      TYR  13  -4.691  -1.283   4.992
   89    HE2  TYR  13           HE2      TYR  13  -2.534   2.394   4.473
   90    HH   TYR  13           HH       TYR  13  -4.953   2.104   4.638
   91    H    PHE  14           HN       PHE  14   0.548  -1.844   0.209
   92    HA   PHE  14           HA       PHE  14   2.696  -3.697   0.670
   93   1HB   PHE  14          HB2       PHE  14   1.598  -2.749  -1.987
   94   2HB   PHE  14          HB1       PHE  14   2.457  -4.259  -1.673
   95    HD1  PHE  14           HD1      PHE  14   1.199  -4.780   1.076
   96    HD2  PHE  14           HD2      PHE  14  -0.497  -3.727  -2.727
   97    HE1  PHE  14           HE1      PHE  14  -0.931  -5.866   1.727
   98    HE2  PHE  14           HE2      PHE  14  -2.630  -4.813  -2.074
   99    HZ   PHE  14           HZ       PHE  14  -2.845  -5.883   0.154
  100    H    CYS  15           HN       CYS  15   2.622  -0.422  -0.635
  101    HA   CYS  15           HA       CYS  15   5.352  -0.601  -1.670
  102   1HB   CYS  15          HB2       CYS  15   3.180   1.132  -2.046
  103   2HB   CYS  15          HB1       CYS  15   4.409   2.107  -1.241
  104    H    HIS  16           HN       HIS  16   4.817  -1.093   1.298
  105    HA   HIS  16           HA       HIS  16   6.161  -0.730   3.199
  106   1HB   HIS  16          HB2       HIS  16   7.726   0.287   1.139
  107   2HB   HIS  16          HB1       HIS  16   7.586   1.641   2.261
  108    HD1  HIS  16           HD1      HIS  16  10.322   0.568   2.208
  109    HD2  HIS  16           HD2      HIS  16   7.394  -1.203   4.590
  110    HE1  HIS  16           HE1      HIS  16  11.548  -0.728   4.005
  111    H    LEU  17           HN       LEU  17   3.574   0.490   2.843
  112    HA   LEU  17           HA       LEU  17   3.940   3.165   4.070
  113   1HB   LEU  17          HB2       LEU  17   1.576   1.833   2.740
  114   2HB   LEU  17          HB1       LEU  17   1.521   3.401   3.502
  115    HG   LEU  17           HG       LEU  17   1.892   3.857   1.194
  116   1HD1  LEU  17          HD11      LEU  17   3.604   4.744   3.075
  117   2HD1  LEU  17          HD12      LEU  17   3.743   5.197   1.376
  118   3HD1  LEU  17          HD13      LEU  17   4.746   3.901   2.028
  119   1HD2  LEU  17          HD21      LEU  17   2.826   2.317  -0.159
  120   2HD2  LEU  17          HD22      LEU  17   3.133   1.306   1.250
  121   3HD2  LEU  17          HD23      LEU  17   4.358   2.449   0.704
  122    H    ASP  18           HN       ASP  18   4.550   1.587   5.989
  123    HA   ASP  18           HA       ASP  18   3.940   0.495   7.992
  124   1HB   ASP  18          HB2       ASP  18   2.490   1.897   9.353
  125   2HB   ASP  18          HB1       ASP  18   3.564   2.924   8.407
  126    H    ILE  19           HN       ILE  19   3.061  -1.407   6.678
  127    HA   ILE  19           HA       ILE  19   0.253  -1.611   6.112
  128    HB   ILE  19           HB       ILE  19   0.694  -3.977   5.822
  129   1HG1  ILE  19          HG12      ILE  19   3.490  -3.973   6.639
  130   2HG1  ILE  19          HG11      ILE  19   2.415  -3.626   7.991
  131   1HG2  ILE  19          HG21      ILE  19   3.213  -3.506   4.742
  132   2HG2  ILE  19          HG22      ILE  19   2.456  -1.913   4.750
  133   3HG2  ILE  19          HG23      ILE  19   1.673  -3.258   3.919
  134   1HD1  ILE  19          HD11      ILE  19   2.960  -6.120   7.387
  135   2HD1  ILE  19          HD12      ILE  19   1.760  -5.877   6.118
  136   3HD1  ILE  19          HD13      ILE  19   1.308  -5.671   7.809
  137    H    ILE  20           HN       ILE  20  -0.052  -0.525   8.501
  138    HA   ILE  20           HA       ILE  20  -0.032  -2.474  10.667
  139    HB   ILE  20           HB       ILE  20   0.313  -0.053  11.045
  140   1HG1  ILE  20          HG12      ILE  20  -1.194   0.173  12.940
  141   2HG1  ILE  20          HG11      ILE  20  -2.259  -1.070  12.289
  142   1HG2  ILE  20          HG21      ILE  20  -2.118   0.072   9.456
  143   2HG2  ILE  20          HG22      ILE  20  -0.985   1.361   9.862
  144   3HG2  ILE  20          HG23      ILE  20  -2.298   0.962  10.969
  145   1HD1  ILE  20          HD11      ILE  20  -0.988  -2.703  13.178
  146   2HD1  ILE  20          HD12      ILE  20  -0.052  -1.455  14.001
  147   3HD1  ILE  20          HD13      ILE  20   0.463  -2.046  12.421
  148    H    TRP  21           HN       TRP  21  -1.449  -3.938   9.053
  149    HA   TRP  21           HA       TRP  21  -4.156  -3.385   8.562
  150   1HB   TRP  21          HB2       TRP  21  -4.371  -6.005   9.076
  151   2HB   TRP  21          HB1       TRP  21  -3.638  -5.394   7.601
  152    HD1  TRP  21           HD1      TRP  21  -2.137  -7.539   7.380
  153    HE1  TRP  21           HE1      TRP  21   0.028  -8.280   8.561
  154    HE3  TRP  21           HE3      TRP  21  -2.157  -4.362  11.396
  155    HZ2  TRP  21           HZ2      TRP  21   1.543  -7.631  10.887
  156    HZ3  TRP  21           HZ3      TRP  21  -0.344  -4.458  13.076
  157    HH2  TRP  21           HH2      TRP  21   1.508  -6.085  12.826
  Start of MODEL   19
    1   1H    CYS   1           HT1      CYS   1   8.518  -1.684  -5.259
    2   2H    CYS   1           HT2      CYS   1   8.589  -2.202  -6.875
    3   3H    CYS   1           HT3      CYS   1   8.885  -3.302  -5.613
    4    HA   CYS   1           HA       CYS   1   6.669  -3.604  -6.567
    5   1HB   CYS   1          HB2       CYS   1   5.505  -3.691  -4.460
    6   2HB   CYS   1          HB1       CYS   1   7.202  -4.035  -4.125
    7    H    SER   2           HN       SER   2   4.350  -2.597  -6.178
    8    HA   SER   2           HA       SER   2   3.922   0.161  -5.861
    9   1HB   SER   2          HB2       SER   2   5.106  -0.563  -8.460
   10   2HB   SER   2          HB1       SER   2   3.639   0.402  -8.584
   11    HG   SER   2           HG       SER   2   4.864   1.594  -6.729
   12    H    CYS   3           HN       CYS   3   1.873  -0.394  -5.140
   13    HA   CYS   3           HA       CYS   3   0.146  -2.313  -6.303
   14   1HB   CYS   3          HB2       CYS   3  -0.412  -1.480  -4.127
   15   2HB   CYS   3          HB1       CYS   3  -0.446   0.189  -4.692
   16    H    SER   4           HN       SER   4  -1.864  -1.857  -7.593
   17    HA   SER   4           HA       SER   4  -1.447  -0.735 -10.071
   18   1HB   SER   4          HB2       SER   4  -3.484  -1.887  -9.837
   19   2HB   SER   4          HB1       SER   4  -3.949  -0.958  -8.414
   20    HG   SER   4           HG       SER   4  -3.597   0.206 -10.973
   21    H    SER   5           HN       SER   5  -3.002   1.004  -7.372
   22    HA   SER   5           HA       SER   5  -2.094   3.538  -8.669
   23   1HB   SER   5          HB2       SER   5  -4.193   4.337  -8.432
   24   2HB   SER   5          HB1       SER   5  -4.695   2.747  -7.875
   25    HG   SER   5           HG       SER   5  -3.706   4.910  -6.322
   26    H    LEU   6           HN       LEU   6  -0.354   4.333  -7.539
   27    HA   LEU   6           HA       LEU   6   0.491   3.424  -5.002
   28   1HB   LEU   6          HB2       LEU   6   1.210   5.712  -6.760
   29   2HB   LEU   6          HB1       LEU   6   1.672   5.843  -5.063
   30    HG   LEU   6           HG       LEU   6   2.645   3.512  -5.257
   31   1HD1  LEU   6          HD11      LEU   6   3.104   2.661  -7.500
   32   2HD1  LEU   6          HD12      LEU   6   2.309   4.062  -8.219
   33   3HD1  LEU   6          HD13      LEU   6   1.366   2.888  -7.301
   34   1HD2  LEU   6          HD21      LEU   6   4.660   4.477  -5.695
   35   2HD2  LEU   6          HD22      LEU   6   3.735   5.974  -5.823
   36   3HD2  LEU   6          HD23      LEU   6   4.137   5.058  -7.276
   37    H    MET   7           HN       MET   7  -2.042   5.719  -5.672
   38    HA   MET   7           HA       MET   7  -1.820   6.981  -3.028
   39   1HB   MET   7          HB2       MET   7  -2.567   8.428  -4.783
   40   2HB   MET   7          HB1       MET   7  -3.792   7.273  -5.306
   41   1HG   MET   7          HG2       MET   7  -5.247   7.862  -3.645
   42   2HG   MET   7          HG1       MET   7  -3.959   8.123  -2.469
   43   1HE   MET   7          HE1       MET   7  -6.183  11.426  -2.988
   44   2HE   MET   7          HE2       MET   7  -5.945   9.997  -1.986
   45   3HE   MET   7          HE3       MET   7  -6.736   9.843  -3.552
   46    H    ASP   8           HN       ASP   8  -3.077   4.074  -4.147
   47    HA   ASP   8           HA       ASP   8  -5.580   3.779  -2.949
   48   1HB   ASP   8          HB2       ASP   8  -4.082   2.039  -4.221
   49   2HB   ASP   8          HB1       ASP   8  -3.515   1.618  -2.606
   50    H    LYS   9           HN       LYS   9  -5.819   2.281  -0.860
   51    HA   LYS   9           HA       LYS   9  -4.308   3.670   1.312
   52   1HB   LYS   9          HB2       LYS   9  -6.998   2.282   1.542
   53   2HB   LYS   9          HB1       LYS   9  -6.222   3.298   2.755
   54   1HG   LYS   9          HG2       LYS   9  -6.987   4.304  -0.003
   55   2HG   LYS   9          HG1       LYS   9  -8.035   4.455   1.407
   56   1HD   LYS   9          HD2       LYS   9  -6.932   6.472   1.558
   57   2HD   LYS   9          HD1       LYS   9  -5.821   5.471   2.493
   58   1HE   LYS   9          HE2       LYS   9  -4.213   5.485   0.856
   59   2HE   LYS   9          HE1       LYS   9  -5.396   5.532  -0.451
   60   1HZ   LYS   9          HZ1       LYS   9  -5.738   7.818  -0.139
   61   2HZ   LYS   9          HZ2       LYS   9  -4.053   7.614  -0.081
   62   3HZ   LYS   9          HZ3       LYS   9  -4.936   7.832   1.355
   63    H    GLU  10           HN       GLU  10  -6.136   0.555   1.315
   64    HA   GLU  10           HA       GLU  10  -4.075  -0.655   2.948
   65   1HB   GLU  10          HB2       GLU  10  -6.075  -2.307   1.448
   66   2HB   GLU  10          HB1       GLU  10  -5.491  -2.490   3.103
   67   1HG   GLU  10          HG2       GLU  10  -6.667  -0.246   3.569
   68   2HG   GLU  10          HG1       GLU  10  -7.498  -0.510   2.036
   69    H    CYS  11           HN       CYS  11  -4.860  -0.618  -0.480
   70    HA   CYS  11           HA       CYS  11  -3.097  -2.763  -1.242
   71   1HB   CYS  11          HB2       CYS  11  -4.934  -1.677  -2.673
   72   2HB   CYS  11          HB1       CYS  11  -3.793  -0.361  -2.947
   73    H    VAL  12           HN       VAL  12  -2.666   0.435  -0.173
   74    HA   VAL  12           HA       VAL  12  -0.053   0.872  -1.380
   75    HB   VAL  12           HB       VAL  12  -1.822   2.313   0.580
   76   1HG1  VAL  12          HG11      VAL  12   0.487   2.430   1.479
   77   2HG1  VAL  12          HG12      VAL  12  -0.111   3.994   0.924
   78   3HG1  VAL  12          HG13      VAL  12   1.025   3.081  -0.069
   79   1HG2  VAL  12          HG21      VAL  12  -1.423   4.124  -1.131
   80   2HG2  VAL  12          HG22      VAL  12  -2.255   2.696  -1.745
   81   3HG2  VAL  12          HG23      VAL  12  -0.542   2.930  -2.084
   82    H    TYR  13           HN       TYR  13  -1.303  -0.203   1.769
   83    HA   TYR  13           HA       TYR  13   1.134  -0.138   3.221
   84   1HB   TYR  13          HB2       TYR  13  -1.177  -2.092   3.451
   85   2HB   TYR  13          HB1       TYR  13   0.069  -1.837   4.673
   86    HD1  TYR  13           HD1      TYR  13  -3.103  -1.333   4.644
   87    HD2  TYR  13           HD2      TYR  13   0.383   1.159   4.347
   88    HE1  TYR  13           HE1      TYR  13  -4.392   0.579   5.558
   89    HE2  TYR  13           HE2      TYR  13  -0.906   3.071   5.261
   90    HH   TYR  13           HH       TYR  13  -4.383   2.817   5.874
   91    H    PHE  14           HN       PHE  14   0.090  -2.184   0.655
   92    HA   PHE  14           HA       PHE  14   1.721  -4.468   1.304
   93   1HB   PHE  14          HB2       PHE  14   0.749  -3.618  -1.433
   94   2HB   PHE  14          HB1       PHE  14   1.191  -5.246  -0.917
   95    HD1  PHE  14           HD1      PHE  14  -1.451  -4.797  -2.107
   96    HD2  PHE  14           HD2      PHE  14  -0.165  -4.339   1.968
   97    HE1  PHE  14           HE1      PHE  14  -3.772  -5.193  -1.326
   98    HE2  PHE  14           HE2      PHE  14  -2.486  -4.733   2.745
   99    HZ   PHE  14           HZ       PHE  14  -4.289  -5.160   1.098
  100    H    CYS  15           HN       CYS  15   2.361  -1.471  -0.475
  101    HA   CYS  15           HA       CYS  15   4.890  -2.481  -1.548
  102   1HB   CYS  15          HB2       CYS  15   3.206  -0.208  -1.967
  103   2HB   CYS  15          HB1       CYS  15   4.826   0.366  -1.582
  104    H    HIS  16           HN       HIS  16   4.482  -2.433   1.477
  105    HA   HIS  16           HA       HIS  16   6.008  -2.152   3.253
  106   1HB   HIS  16          HB2       HIS  16   7.611  -1.817   0.996
  107   2HB   HIS  16          HB1       HIS  16   7.884  -0.350   1.936
  108    HD1  HIS  16           HD1      HIS  16   9.552  -0.568   3.776
  109    HD2  HIS  16           HD2      HIS  16   7.906  -4.260   2.759
  110    HE1  HIS  16           HE1      HIS  16  10.749  -2.298   5.185
  111    H    LEU  17           HN       LEU  17   3.760  -0.423   2.835
  112    HA   LEU  17           HA       LEU  17   4.806   2.254   3.577
  113   1HB   LEU  17          HB2       LEU  17   2.121   1.298   2.572
  114   2HB   LEU  17          HB1       LEU  17   2.437   2.932   3.101
  115    HG   LEU  17           HG       LEU  17   2.718   2.928   0.717
  116   1HD1  LEU  17          HD11      LEU  17   5.558   2.658   1.642
  117   2HD1  LEU  17          HD12      LEU  17   4.550   3.936   2.322
  118   3HD1  LEU  17          HD13      LEU  17   4.840   3.872   0.583
  119   1HD2  LEU  17          HD21      LEU  17   3.483   0.258   1.125
  120   2HD2  LEU  17          HD22      LEU  17   4.932   1.052   0.513
  121   3HD2  LEU  17          HD23      LEU  17   3.434   1.110  -0.417
  122    H    ASP  18           HN       ASP  18   5.184   0.839   5.713
  123    HA   ASP  18           HA       ASP  18   4.465   0.229   7.887
  124   1HB   ASP  18          HB2       ASP  18   4.880   2.570   8.190
  125   2HB   ASP  18          HB1       ASP  18   3.357   3.004   7.413
  126    H    ILE  19           HN       ILE  19   2.948  -1.476   6.913
  127    HA   ILE  19           HA       ILE  19   0.160  -0.885   6.564
  128    HB   ILE  19           HB       ILE  19  -0.124  -3.184   6.277
  129   1HG1  ILE  19          HG12      ILE  19   2.244  -3.701   8.104
  130   2HG1  ILE  19          HG11      ILE  19   0.561  -3.758   8.624
  131   1HG2  ILE  19          HG21      ILE  19   2.841  -3.286   5.957
  132   2HG2  ILE  19          HG22      ILE  19   1.947  -2.089   5.020
  133   3HG2  ILE  19          HG23      ILE  19   1.574  -3.804   4.845
  134   1HD1  ILE  19          HD11      ILE  19   1.874  -5.515   6.541
  135   2HD1  ILE  19          HD12      ILE  19   0.138  -5.486   6.854
  136   3HD1  ILE  19          HD13      ILE  19   1.254  -6.014   8.115
  137    H    ILE  20           HN       ILE  20  -1.380  -0.516   8.119
  138    HA   ILE  20           HA       ILE  20  -0.661  -1.305  10.920
  139    HB   ILE  20           HB       ILE  20  -2.211   1.079   9.885
  140   1HG1  ILE  20          HG12      ILE  20   0.170   1.444   9.943
  141   2HG1  ILE  20          HG11      ILE  20  -0.511   2.251  11.355
  142   1HG2  ILE  20          HG21      ILE  20  -2.400  -0.363  12.447
  143   2HG2  ILE  20          HG22      ILE  20  -3.505   0.811  11.734
  144   3HG2  ILE  20          HG23      ILE  20  -2.083   1.363  12.618
  145   1HD1  ILE  20          HD11      ILE  20   1.074  -0.298  11.224
  146   2HD1  ILE  20          HD12      ILE  20  -0.042  -0.024  12.561
  147   3HD1  ILE  20          HD13      ILE  20   1.295   1.093  12.286
  148    H    TRP  21           HN       TRP  21  -1.675  -3.371  10.473
  149    HA   TRP  21           HA       TRP  21  -4.377  -3.689   9.650
  150   1HB   TRP  21          HB2       TRP  21  -4.154  -5.808  11.287
  151   2HB   TRP  21          HB1       TRP  21  -3.417  -5.764   9.694
  152    HD1  TRP  21           HD1      TRP  21  -1.494  -7.397  10.406
  153    HE1  TRP  21           HE1      TRP  21   0.646  -7.080  11.802
  154    HE3  TRP  21           HE3      TRP  21  -2.560  -2.947  12.685
  155    HZ2  TRP  21           HZ2      TRP  21   1.757  -5.201  13.639
  156    HZ3  TRP  21           HZ3      TRP  21  -0.946  -1.924  14.256
  157    HH2  TRP  21           HH2      TRP  21   1.212  -3.042  14.735
  Start of MODEL   20
    1   1H    CYS   1           HT1      CYS   1   7.110   0.806  -7.173
    2   2H    CYS   1           HT2      CYS   1   6.409  -0.452  -8.075
    3   3H    CYS   1           HT3      CYS   1   7.641  -0.791  -6.955
    4    HA   CYS   1           HA       CYS   1   6.278  -0.434  -5.125
    5   1HB   CYS   1          HB2       CYS   1   5.349   1.707  -6.270
    6   2HB   CYS   1          HB1       CYS   1   4.091   0.643  -6.897
    7    H    SER   2           HN       SER   2   4.942  -2.107  -4.403
    8    HA   SER   2           HA       SER   2   4.100  -4.029  -6.499
    9   1HB   SER   2          HB2       SER   2   5.552  -4.506  -4.291
   10   2HB   SER   2          HB1       SER   2   3.943  -4.726  -3.609
   11    HG   SER   2           HG       SER   2   3.744  -6.003  -5.774
   12    H    CYS   3           HN       CYS   3   2.302  -2.144  -6.667
   13    HA   CYS   3           HA       CYS   3  -0.081  -3.310  -5.407
   14   1HB   CYS   3          HB2       CYS   3   0.435  -1.741  -3.689
   15   2HB   CYS   3          HB1       CYS   3   0.857  -0.486  -4.850
   16    H    SER   4           HN       SER   4  -2.084  -2.413  -6.404
   17    HA   SER   4           HA       SER   4  -1.829  -2.091  -9.235
   18   1HB   SER   4          HB2       SER   4  -3.903  -2.952  -8.513
   19   2HB   SER   4          HB1       SER   4  -4.093  -1.704  -7.285
   20    HG   SER   4           HG       SER   4  -4.168  -1.359 -10.105
   21    H    SER   5           HN       SER   5  -2.865   0.282  -6.771
   22    HA   SER   5           HA       SER   5  -1.668   2.399  -8.493
   23   1HB   SER   5          HB2       SER   5  -3.691   3.343  -8.811
   24   2HB   SER   5          HB1       SER   5  -4.444   2.031  -7.914
   25    HG   SER   5           HG       SER   5  -4.440   3.229  -6.133
   26    H    LEU   6           HN       LEU   6  -0.094   3.399  -7.283
   27    HA   LEU   6           HA       LEU   6   0.381   2.917  -4.546
   28   1HB   LEU   6          HB2       LEU   6   1.378   4.891  -6.533
   29   2HB   LEU   6          HB1       LEU   6   1.617   5.292  -4.833
   30    HG   LEU   6           HG       LEU   6   2.561   2.967  -4.514
   31   1HD1  LEU   6          HD11      LEU   6   1.753   2.824  -7.308
   32   2HD1  LEU   6          HD12      LEU   6   2.217   1.523  -6.212
   33   3HD1  LEU   6          HD13      LEU   6   3.454   2.411  -7.101
   34   1HD2  LEU   6          HD21      LEU   6   3.735   5.296  -5.754
   35   2HD2  LEU   6          HD22      LEU   6   4.517   3.840  -6.367
   36   3HD2  LEU   6          HD23      LEU   6   4.475   4.153  -4.633
   37    H    MET   7           HN       MET   7  -2.019   5.024  -5.889
   38    HA   MET   7           HA       MET   7  -2.092   6.757  -3.521
   39   1HB   MET   7          HB2       MET   7  -2.590   7.671  -5.772
   40   2HB   MET   7          HB1       MET   7  -3.984   6.598  -5.890
   41   1HG   MET   7          HG2       MET   7  -5.013   7.670  -3.944
   42   2HG   MET   7          HG1       MET   7  -3.593   8.695  -3.735
   43   1HE   MET   7          HE1       MET   7  -4.479  10.517  -3.565
   44   2HE   MET   7          HE2       MET   7  -5.905  11.153  -4.381
   45   3HE   MET   7          HE3       MET   7  -4.300  11.593  -4.957
   46    H    ASP   8           HN       ASP   8  -3.234   3.672  -4.187
   47    HA   ASP   8           HA       ASP   8  -5.878   3.712  -3.143
   48   1HB   ASP   8          HB2       ASP   8  -4.360   1.740  -4.160
   49   2HB   ASP   8          HB1       ASP   8  -4.130   1.397  -2.447
   50    H    LYS   9           HN       LYS   9  -5.552   1.820  -0.943
   51    HA   LYS   9           HA       LYS   9  -4.361   3.605   1.139
   52   1HB   LYS   9          HB2       LYS   9  -6.912   2.028   1.558
   53   2HB   LYS   9          HB1       LYS   9  -6.240   3.291   2.589
   54   1HG   LYS   9          HG2       LYS   9  -7.176   3.759  -0.261
   55   2HG   LYS   9          HG1       LYS   9  -8.177   4.066   1.158
   56   1HD   LYS   9          HD2       LYS   9  -5.658   5.483   0.293
   57   2HD   LYS   9          HD1       LYS   9  -7.232   6.172   0.689
   58   1HE   LYS   9          HE2       LYS   9  -6.782   5.150   3.063
   59   2HE   LYS   9          HE1       LYS   9  -5.097   5.150   2.543
   60   1HZ   LYS   9          HZ1       LYS   9  -5.192   7.236   3.357
   61   2HZ   LYS   9          HZ2       LYS   9  -6.867   7.389   3.116
   62   3HZ   LYS   9          HZ3       LYS   9  -5.796   7.586   1.812
   63    H    GLU  10           HN       GLU  10  -5.969   0.392   1.361
   64    HA   GLU  10           HA       GLU  10  -3.846  -0.607   3.039
   65   1HB   GLU  10          HB2       GLU  10  -5.903  -1.648   3.457
   66   2HB   GLU  10          HB1       GLU  10  -6.298  -1.775   1.744
   67   1HG   GLU  10          HG2       GLU  10  -5.250  -3.768   1.534
   68   2HG   GLU  10          HG1       GLU  10  -3.863  -3.237   2.487
   69    H    CYS  11           HN       CYS  11  -4.561  -0.693  -0.396
   70    HA   CYS  11           HA       CYS  11  -2.606  -2.738  -1.056
   71   1HB   CYS  11          HB2       CYS  11  -4.522  -2.110  -2.546
   72   2HB   CYS  11          HB1       CYS  11  -3.758  -0.544  -2.811
   73    H    VAL  12           HN       VAL  12  -2.495   0.530  -0.151
   74    HA   VAL  12           HA       VAL  12  -0.009   1.226  -1.496
   75    HB   VAL  12           HB       VAL  12  -1.768   2.498   0.591
   76   1HG1  VAL  12          HG11      VAL  12  -0.027   4.463   0.017
   77   2HG1  VAL  12          HG12      VAL  12   1.057   3.072  -0.044
   78   3HG1  VAL  12          HG13      VAL  12   0.133   3.408   1.421
   79   1HG2  VAL  12          HG21      VAL  12  -2.522   2.694  -1.696
   80   2HG2  VAL  12          HG22      VAL  12  -0.917   3.193  -2.229
   81   3HG2  VAL  12          HG23      VAL  12  -1.877   4.258  -1.201
   82    H    TYR  13           HN       TYR  13  -0.948  -0.045   1.666
   83    HA   TYR  13           HA       TYR  13   1.371   0.431   3.156
   84   1HB   TYR  13          HB2       TYR  13  -0.245  -2.131   3.111
   85   2HB   TYR  13          HB1       TYR  13   0.807  -1.592   4.417
   86    HD1  TYR  13           HD1      TYR  13  -2.167  -2.198   4.692
   87    HD2  TYR  13           HD2      TYR  13  -0.044   1.440   3.850
   88    HE1  TYR  13           HE1      TYR  13  -4.035  -0.883   5.659
   89    HE2  TYR  13           HE2      TYR  13  -1.912   2.755   4.815
   90    HH   TYR  13           HH       TYR  13  -4.905   1.626   5.279
   91    H    PHE  14           HN       PHE  14   0.924  -1.733   0.455
   92    HA   PHE  14           HA       PHE  14   3.135  -3.466   0.929
   93   1HB   PHE  14          HB2       PHE  14   2.128  -2.582  -1.783
   94   2HB   PHE  14          HB1       PHE  14   2.922  -4.104  -1.375
   95    HD1  PHE  14           HD1      PHE  14   1.403  -4.261   1.394
   96    HD2  PHE  14           HD2      PHE  14   0.142  -3.759  -2.682
   97    HE1  PHE  14           HE1      PHE  14  -0.794  -5.262   1.952
   98    HE2  PHE  14           HE2      PHE  14  -2.057  -4.760  -2.123
   99    HZ   PHE  14           HZ       PHE  14  -2.525  -5.511   0.195
  100    H    CYS  15           HN       CYS  15   2.963  -0.224  -0.428
  101    HA   CYS  15           HA       CYS  15   5.729  -0.294  -1.388
  102   1HB   CYS  15          HB2       CYS  15   3.463   1.381  -1.761
  103   2HB   CYS  15          HB1       CYS  15   4.743   2.383  -1.081
  104    H    HIS  16           HN       HIS  16   5.046  -0.711   1.589
  105    HA   HIS  16           HA       HIS  16   6.301  -0.266   3.536
  106   1HB   HIS  16          HB2       HIS  16   8.079   0.425   1.702
  107   2HB   HIS  16          HB1       HIS  16   7.669   2.057   2.230
  108    HD1  HIS  16           HD1      HIS  16  10.222   2.022   3.176
  109    HD2  HIS  16           HD2      HIS  16   7.500  -0.454   5.134
  110    HE1  HIS  16           HE1      HIS  16  11.273   1.417   5.399
  111    H    LEU  17           HN       LEU  17   3.717   0.895   3.032
  112    HA   LEU  17           HA       LEU  17   3.993   3.616   4.186
  113   1HB   LEU  17          HB2       LEU  17   1.725   2.229   2.749
  114   2HB   LEU  17          HB1       LEU  17   1.614   3.820   3.456
  115    HG   LEU  17           HG       LEU  17   2.137   4.242   1.184
  116   1HD1  LEU  17          HD11      LEU  17   4.085   5.474   1.366
  117   2HD1  LEU  17          HD12      LEU  17   4.937   4.195   2.230
  118   3HD1  LEU  17          HD13      LEU  17   3.746   5.187   3.072
  119   1HD2  LEU  17          HD21      LEU  17   3.011   2.595  -0.075
  120   2HD2  LEU  17          HD22      LEU  17   3.362   1.662   1.379
  121   3HD2  LEU  17          HD23      LEU  17   4.557   2.794   0.749
  122    H    ASP  18           HN       ASP  18   4.485   2.080   6.187
  123    HA   ASP  18           HA       ASP  18   3.742   1.049   8.177
  124   1HB   ASP  18          HB2       ASP  18   2.216   2.501   9.401
  125   2HB   ASP  18          HB1       ASP  18   3.367   3.489   8.503
  126    H    ILE  19           HN       ILE  19   2.924  -0.904   6.935
  127    HA   ILE  19           HA       ILE  19   0.202  -1.124   6.110
  128    HB   ILE  19           HB       ILE  19   0.635  -3.407   5.830
  129   1HG1  ILE  19          HG12      ILE  19   2.694  -3.261   8.054
  130   2HG1  ILE  19          HG11      ILE  19   1.041  -3.838   8.263
  131   1HG2  ILE  19          HG21      ILE  19   3.514  -2.930   5.958
  132   2HG2  ILE  19          HG22      ILE  19   2.643  -1.625   5.152
  133   3HG2  ILE  19          HG23      ILE  19   2.495  -3.280   4.562
  134   1HD1  ILE  19          HD11      ILE  19   3.324  -5.280   7.287
  135   2HD1  ILE  19          HD12      ILE  19   2.099  -5.206   6.020
  136   3HD1  ILE  19          HD13      ILE  19   1.694  -5.877   7.600
  137    H    ILE  20           HN       ILE  20  -1.641  -1.256   7.332
  138    HA   ILE  20           HA       ILE  20  -1.270  -1.907  10.236
  139    HB   ILE  20           HB       ILE  20  -3.231  -0.057   8.860
  140   1HG1  ILE  20          HG12      ILE  20  -1.123   0.997   9.363
  141   2HG1  ILE  20          HG11      ILE  20  -2.270   1.518  10.596
  142   1HG2  ILE  20          HG21      ILE  20  -3.763   0.193  11.523
  143   2HG2  ILE  20          HG22      ILE  20  -3.430  -1.536  11.418
  144   3HG2  ILE  20          HG23      ILE  20  -4.703  -0.821  10.428
  145   1HD1  ILE  20          HD11      ILE  20  -0.050  -0.504  10.843
  146   2HD1  ILE  20          HD12      ILE  20  -1.401  -0.487  11.977
  147   3HD1  ILE  20          HD13      ILE  20  -0.351   0.922  11.835
  148    H    TRP  21           HN       TRP  21  -1.512  -4.179   9.571
  149    HA   TRP  21           HA       TRP  21  -3.788  -5.233   8.266
  150   1HB   TRP  21          HB2       TRP  21  -3.309  -7.236   9.999
  151   2HB   TRP  21          HB1       TRP  21  -2.320  -6.955   8.576
  152    HD1  TRP  21           HD1      TRP  21  -0.173  -7.958   9.678
  153    HE1  TRP  21           HE1      TRP  21   1.467  -7.074  11.456
  154    HE3  TRP  21           HE3      TRP  21  -2.922  -4.099  11.595
  155    HZ2  TRP  21           HZ2      TRP  21   1.598  -5.019  13.428
  156    HZ3  TRP  21           HZ3      TRP  21  -2.017  -2.702  13.427
  157    HH2  TRP  21           HH2      TRP  21   0.240  -3.155  14.345