*HEADER    DE NOVO DESIGN                          31-JAN-97   1ABZ      
*TITLE     ALPHA-T-ALPHA, A DE NOVO DESIGNED PEPTIDE, NMR,               
*TITLE    2 23 STRUCTURES                                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: ALPHA-T-ALPHA;                                     
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: ATA;                                                
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 OTHER_DETAILS: DE NOVO DESIGNED PEPTIDE                      
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: NON-BIOLOGICAL SEQUENCE                           
*KEYWDS    DE NOVO DESIGN, HELIX-TURN-HELIX, PEPTIDE                     
*EXPDTA    NMR, 23 STRUCTURES                                            
*AUTHOR    Y.FEZOUI,P.J.CONNOLLY,J.J.OSTERHOUT                           
*REVDAT   1   12-OCT-04 1ABZ    0   


reset
nrestraints=  1000

{  NOE Restraints }

{ Beginning NOE class STRG}
classification STRG
assign (resid    1  and name HN    ) (resid    1  and name HA    )   2.40  0.40  0.40
assign (resid    2  and name HN    ) (resid    2  and name HA    )   2.35  0.35  0.35
assign (resid    2  and name HN    ) (resid    3  and name HN    )   2.55  0.55  0.55
assign (resid    2  and name HE1   ) (resid    2  and name HZ2   )   2.50  0.50  0.50
assign (resid    2  and name HE1   ) (resid    2  and name HD1   )   2.35  0.35  0.35
assign (resid    2  and name HZ2   ) (resid    2  and name HH2   )   2.25  0.25  0.25
assign (resid    2  and name HH2   ) (resid    2  and name HZ3   )   2.35  0.35  0.35
assign (resid    2  and name HE3   ) (resid    2  and name HZ3   )   2.25  0.25  0.25
assign (resid    3  and name HN    ) (resid    3  and name HA    )   2.50  0.50  0.50
assign (resid    3  and name HN    ) (resid    4  and name HN    )   2.40  0.40  0.40
assign (resid    4  and name HN    ) (resid    4  and name HA    )   2.45  0.45  0.45
assign (resid    4  and name HN    ) (resid    5  and name HN    )   2.55  0.55  0.55
assign (resid    5  and name HN    ) (resid    5  and name HA    )   2.45  0.45  0.45
assign (resid    5  and name HN    ) (resid    5  and name HB+   )   2.40  0.40  0.40
assign (resid    5  and name HN    ) (resid    6  and name HN    )   2.55  0.55  0.55
assign (resid    5  and name HA    ) (resid    5  and name HB+   )   2.35  0.35  0.35
assign (resid    6  and name HN    ) (resid    6  and name HA    )   2.40  0.40  0.40
assign (resid    6  and name HN    ) (resid    7  and name HN    )   2.40  0.40  0.40
assign (resid    7  and name HN    ) (resid    7  and name HA    )   2.40  0.40  0.40
assign (resid    7  and name HN    ) (resid    7  and name HB    )   2.35  0.35  0.35
assign (resid    7  and name HN    ) (resid    8  and name HN    )   2.50  0.50  0.50
assign (resid    8  and name HN    ) (resid    8  and name HA    )   2.45  0.45  0.45
assign (resid    8  and name HN    ) (resid    9  and name HN    )   2.45  0.45  0.45
assign (resid    9  and name HN    ) (resid    9  and name HA    )   2.40  0.40  0.40
assign (resid    9  and name HN    ) (resid   10  and name HN    )   2.50  0.50  0.50
assign (resid   10  and name HN    ) (resid   10  and name HA    )   2.40  0.40  0.40
assign (resid   10  and name HN    ) (resid   11  and name HN    )   2.50  0.50  0.50
assign (resid   11  and name HN    ) (resid   11  and name HA    )   2.40  0.40  0.40
assign (resid   11  and name HN    ) (resid   11  and name HG    )   2.35  0.35  0.35
assign (resid   11  and name HA    ) (resid   11  and name HG    )   2.45  0.45  0.45
assign (resid   11  and name HN    ) (resid   12  and name HN    )   2.55  0.55  0.55
assign (resid   12  and name HN    ) (resid   12  and name HA    )   2.45  0.45  0.45
assign (resid   12  and name HN    ) (resid   12  and name HB+   )   2.95  0.95  0.95
assign (resid   12  and name HN    ) (resid   13  and name HN    )   2.45  0.45  0.45
assign (resid   13  and name HN    ) (resid   13  and name HA    )   2.45  0.45  0.45
assign (resid   13  and name HN    ) (resid   13  and name HB+   )   2.35  0.35  0.35
assign (resid   13  and name HN    ) (resid   14  and name HN    )   2.55  0.55  0.55
assign (resid   14  and name HN    ) (resid   14  and name HA    )   2.45  0.45  0.45
assign (resid   14  and name HN    ) (resid   15  and name HN    )   2.50  0.50  0.50
assign (resid   15  and name HN    ) (resid   15  and name HA    )   2.50  0.50  0.50
assign (resid   15  and name HN    ) (resid   16  and name HN    )   2.45  0.45  0.45
assign (resid   16  and name HN    ) (resid   16  and name HA    )   2.45  0.45  0.45
assign (resid   16  and name HN    ) (resid   16  and name HB+   )   2.40  0.40  0.40
assign (resid   17  and name HN    ) (resid   17  and name HA    )   2.55  0.55  0.55
assign (resid   17  and name HA    ) (resid   18  and name HN    )   2.50  0.50  0.50
assign (resid   19  and name HN    ) (resid   19  and name HA    )   2.55  0.55  0.55
assign (resid   20  and name HA    ) (resid   21  and name HN    )   2.35  0.35  0.35
assign (resid   21  and name HN    ) (resid   21  and name HA    )   2.40  0.40  0.40
assign (resid   22  and name HN    ) (resid   22  and name HA    )   2.50  0.50  0.50
assign (resid   22  and name HA    ) (resid   23  and name HN    )   2.50  0.50  0.50
assign (resid   23  and name HN    ) (resid   23  and name HA    )   2.45  0.45  0.45
assign (resid   23  and name HN    ) (resid   23  and name HB+   )   2.50  0.50  0.50
assign (resid   23  and name HN    ) (resid   24  and name HN    )   2.50  0.50  0.50
assign (resid   23  and name HA    ) (resid   23  and name HB+   )   2.40  0.40  0.40
assign (resid   24  and name HN    ) (resid   24  and name HA    )   2.40  0.40  0.40
assign (resid   24  and name HN    ) (resid   25  and name HN    )   2.50  0.50  0.50
assign (resid   25  and name HN    ) (resid   25  and name HA    )   2.50  0.50  0.50
assign (resid   25  and name HN    ) (resid   26  and name HN    )   2.50  0.50  0.50
assign (resid   25  and name HA    ) (resid   25  and name HG    )   2.35  0.35  0.35
assign (resid   26  and name HN    ) (resid   26  and name HA    )   2.45  0.45  0.45
assign (resid   26  and name HN    ) (resid   27  and name HN    )   2.50  0.50  0.50
assign (resid   27  and name HN    ) (resid   27  and name HA    )   2.40  0.40  0.40
assign (resid   27  and name HN    ) (resid   27  and name HB+   )   2.40  0.40  0.40
assign (resid   27  and name HN    ) (resid   28  and name HN    )   2.45  0.45  0.45
assign (resid   28  and name HN    ) (resid   28  and name HA    )   2.45  0.45  0.45
assign (resid   28  and name HN    ) (resid   29  and name HN    )   2.50  0.50  0.50
assign (resid   29  and name HN    ) (resid   29  and name HA    )   2.45  0.45  0.45
assign (resid   29  and name HN    ) (resid   30  and name HN    )   2.45  0.45  0.45
assign (resid   30  and name HN    ) (resid   30  and name HA    )   2.40  0.40  0.40
assign (resid   30  and name HN    ) (resid   30  and name HB+   )   2.35  0.35  0.35
assign (resid   30  and name HN    ) (resid   31  and name HN    )   2.50  0.50  0.50
assign (resid   30  and name HA    ) (resid   30  and name HB+   )   2.30  0.30  0.30
assign (resid   31  and name HN    ) (resid   31  and name HA    )   2.40  0.40  0.40
assign (resid   31  and name HN    ) (resid   32  and name HN    )   2.50  0.50  0.50
assign (resid   32  and name HN    ) (resid   32  and name HA    )   2.40  0.40  0.40
assign (resid   33  and name HN    ) (resid   33  and name HA    )   2.45  0.45  0.45
assign (resid   33  and name HN    ) (resid   34  and name HN    )   2.45  0.45  0.45
assign (resid   34  and name HN    ) (resid   34  and name HA    )   2.45  0.45  0.45
assign (resid   34  and name HN    ) (resid   34  and name HB+   )   2.40  0.40  0.40
assign (resid   34  and name HN    ) (resid   35  and name HN    )   2.40  0.40  0.40
assign (resid   35  and name HN    ) (resid   35  and name HA    )   2.45  0.45  0.45
assign (resid   35  and name HN    ) (resid   36  and name HN    )   2.50  0.50  0.50
assign (resid   36  and name HN    ) (resid   36  and name HA    )   2.40  0.40  0.40
assign (resid   36  and name HN    ) (resid   37  and name HN    )   2.55  0.55  0.55
assign (resid   37  and name HN    ) (resid   37  and name HA    )   2.40  0.40  0.40
assign (resid   38  and name HN    ) (resid   38  and name HA    )   2.50  0.50  0.50

{ Beginning NOE class MED }
classification MED

assign (resid    0  and name H3+   ) (resid    1  and name HN    )   2.80  0.80  0.80
assign (resid    0  and name H2+   ) (resid    1  and name HN    )   2.90  0.90  0.90
assign (resid    1  and name HN    ) (resid    1  and name HB+   )   3.00  1.00  1.00
assign (resid    1  and name HN    ) (resid    2  and name HN    )   2.70  0.70  0.70
assign (resid    1  and name HA    ) (resid    1  and name HB+   )   2.80  0.80  0.80
assign (resid    1  and name HA    ) (resid    4  and name HN    )   2.90  0.90  0.90
assign (resid    1  and name HA    ) (resid    4  and name HB+   )   3.30  1.30  1.30
assign (resid    2  and name HN    ) (resid    2  and name HB+   )   2.95  0.95  0.95
assign (resid    2  and name HN    ) (resid    2  and name HD1   )   2.85  0.85  0.85
assign (resid    2  and name HA    ) (resid    2  and name HB+   )   2.80  0.80  0.80
assign (resid    2  and name HA    ) (resid    3  and name HN    )   2.75  0.75  0.75
assign (resid    2  and name HA    ) (resid    2  and name HD1   )   3.00  1.00  1.00
assign (resid    2  and name HA    ) (resid    5  and name HN    )   2.75  0.75  0.75
assign (resid    2  and name HA    ) (resid    5  and name HB+   )   3.10  1.10  1.10
assign (resid    2  and name HB+   ) (resid    2  and name HD1   )   3.05  1.05  1.05
assign (resid    2  and name HB+   ) (resid    2  and name HE3   )   3.10  1.10  1.10
assign (resid    2  and name HB+   ) (resid    3  and name HN    )   3.30  1.30  1.30
assign (resid    2  and name HE3   ) (resid    3  and name HA    )   2.60  0.60  0.60
assign (resid    3  and name HN    ) (resid    3  and name HB+   )   2.75  0.75  0.75
assign (resid    3  and name HN    ) (resid    3  and name HG    )   3.00  1.00  1.00
assign (resid    3  and name HA    ) (resid    3  and name HB+   )   2.90  0.90  0.90
assign (resid    3  and name HA    ) (resid    3  and name HD*   )   3.00  1.00  1.00
assign (resid    3  and name HA    ) (resid    4  and name HN    )   2.80  0.80  0.80
assign (resid    3  and name HA    ) (resid    6  and name HN    )   2.80  0.80  0.80
assign (resid    3  and name HB+   ) (resid    4  and name HN    )   3.20  1.20  1.20
assign (resid    4  and name HN    ) (resid    4  and name HB+   )   2.90  0.90  0.90
assign (resid    4  and name HA    ) (resid    5  and name HN    )   2.85  0.85  0.85
assign (resid    4  and name HA    ) (resid    7  and name HN    )   2.80  0.80  0.80
assign (resid    4  and name HA    ) (resid    7  and name HB    )   2.90  0.90  0.90
assign (resid    4  and name HA    ) (resid    8  and name HN    )   3.30  1.30  1.30
assign (resid    5  and name HB+   ) (resid    6  and name HN    )   3.20  1.20  1.20
assign (resid    6  and name HN    ) (resid    6  and name HB+   )   2.85  0.85  0.85
assign (resid    6  and name HA    ) (resid    6  and name HD+   )   3.20  1.20  1.20
assign (resid    6  and name HB+   ) (resid    7  and name HN    )   3.20  1.20  1.20
assign (resid    7  and name HA    ) (resid    8  and name HN    )   2.80  0.80  0.80
assign (resid    7  and name HA    ) (resid   10  and name HN    )   2.80  0.80  0.80
assign (resid    7  and name HA    ) (resid   10  and name HB+   )   3.30  1.30  1.30
assign (resid    7  and name HA    ) (resid   11  and name HN    )   3.20  1.20  1.20
assign (resid    8  and name HA    ) (resid    9  and name HN    )   2.90  0.90  0.90
assign (resid    8  and name HA    ) (resid   11  and name HN    )   2.85  0.85  0.85
assign (resid    8  and name HB+   ) (resid    9  and name HN    )   3.20  1.20  1.20
assign (resid    9  and name HN    ) (resid    9  and name HB+   )   2.80  0.80  0.80
assign (resid    9  and name HA    ) (resid    9  and name HB+   )   3.00  1.00  1.00
assign (resid    9  and name HA    ) (resid   12  and name HN    )   2.90  0.90  0.90
assign (resid   10  and name HN    ) (resid   10  and name HB+   )   3.10  1.10  1.10
assign (resid   10  and name HA    ) (resid   10  and name HB+   )   3.20  1.20  1.20
assign (resid   10  and name HA    ) (resid   11  and name HN    )   2.85  0.85  0.85
assign (resid   10  and name HB+   ) (resid   11  and name HN    )   3.20  1.20  1.20
assign (resid   11  and name HN    ) (resid   11  and name HB+   )   3.20  1.20  1.20
assign (resid   11  and name HA    ) (resid   12  and name HN    )   2.80  0.80  0.80
assign (resid   11  and name HA    ) (resid   14  and name HN    )   3.00  1.00  1.00
assign (resid   12  and name HN    ) (resid   12  and name HB+   )   3.30  1.30  1.30
assign (resid   12  and name HN    ) (resid   12  and name HG+   )   3.30  1.30  1.30
assign (resid   12  and name HA    ) (resid   12  and name HB+   )   2.80  0.80  0.80
assign (resid   12  and name HA    ) (resid   12  and name HG+   )   2.95  0.95  0.95
assign (resid   12  and name HA    ) (resid   13  and name HN    )   2.80  0.80  0.80
assign (resid   12  and name HB+   ) (resid   13  and name HN    )   3.10  1.10  1.10
assign (resid   13  and name HA    ) (resid   14  and name HN    )   2.85  0.85  0.85
assign (resid   13  and name HA    ) (resid   16  and name HB+   )   3.20  1.20  1.20
assign (resid   13  and name HB+   ) (resid   14  and name HN    )   3.00  1.00  1.00
assign (resid   14  and name HN    ) (resid   14  and name HB+   )   2.90  0.90  0.90
assign (resid   14  and name HA    ) (resid   17  and name HN    )   3.20  1.20  1.20
assign (resid   15  and name HB+   ) (resid   16  and name HN    )   3.20  1.20  1.20
assign (resid   17  and name HN    ) (resid   18  and name HN    )   2.65  0.65  0.65
assign (resid   17  and name HA    ) (resid   17  and name HB+   )   3.00  1.00  1.00
assign (resid   17  and name HA    ) (resid   17  and name HG+   )   3.10  1.10  1.10
assign (resid   18  and name HN    ) (resid   18  and name HA+   )   3.00  1.00  1.00
assign (resid   18  and name HA+   ) (resid   19  and name HN    )   3.30  1.30  1.30
assign (resid   19  and name HN    ) (resid   20  and name HN    )   2.70  0.70  0.70
assign (resid   19  and name HA    ) (resid   20  and name HN    )   2.60  0.60  0.60
assign (resid   20  and name HN    ) (resid   20  and name HA    )   2.60  0.60  0.60   
assign (resid   20  and name HN    ) (resid   21  and name HN    )   3.00  1.00  1.00
assign (resid   21  and name HN    ) (resid   21  and name HB+   )   2.80  0.80  0.80
assign (resid   21  and name HA    ) (resid   24  and name HG+   )   3.50  1.50  1.50
assign (resid   21  and name HA    ) (resid   24  and name HB+   )   3.40  1.40  1.40
assign (resid   22  and name HN    ) (resid   22  and name HB+   )   2.90  0.90  0.90
assign (resid   22  and name HN    ) (resid   23  and name HN    )   2.60  0.60  0.60
assign (resid   22  and name HA    ) (resid   25  and name HG    )   3.00  1.00  1.00
assign (resid   22  and name HB+   ) (resid   23  and name HN    )   3.10  1.10  1.10
assign (resid   23  and name HB+   ) (resid   24  and name HN    )   3.00  1.00  1.00
assign (resid   24  and name HA    ) (resid   25  and name HN    )   2.90  0.90  0.90
assign (resid   25  and name HA    ) (resid   28  and name HN    )   2.85  0.85  0.85
assign (resid   25  and name HB+   ) (resid   26  and name HN    )   3.00  1.00  1.00
assign (resid   26  and name HN    ) (resid   26  and name HB+   )   2.90  0.90  0.90
assign (resid   26  and name HA    ) (resid   26  and name HG+   )   3.15  1.15  1.15
assign (resid   26  and name HA    ) (resid   26  and name HE    )   3.15  1.15  1.00
assign (resid   26  and name HA    ) (resid   27  and name HN    )   2.80  0.80  0.80
assign (resid   26  and name HA    ) (resid   29  and name HN    )   2.90  0.90  0.90
assign (resid   26  and name HB+   ) (resid   27  and name HN    )   3.00  1.00  1.00
assign (resid   27  and name HA    ) (resid   28  and name HN    )   2.85  0.85  0.85
assign (resid   27  and name HA    ) (resid   30  and name HN    )   2.90  0.90  0.90
assign (resid   27  and name HB+   ) (resid   28  and name HN    )   3.00  1.00  1.00
assign (resid   28  and name HN    ) (resid   28  and name HB+   )   2.80  0.80  0.80
assign (resid   28  and name HA    ) (resid   29  and name HN    )   2.85  0.85  0.85
assign (resid   28  and name HA    ) (resid   31  and name HN    )   2.90  0.90  0.90
assign (resid   28  and name HA    ) (resid   31  and name HB+   )   3.30  1.30  1.30
assign (resid   28  and name HB+   ) (resid   29  and name HN    )   3.00  1.00  1.00
assign (resid   29  and name HA    ) (resid   30  and name HN    )   2.80  0.80  0.80
assign (resid   29  and name HA    ) (resid   32  and name HN    )   2.90  0.90  0.90
assign (resid   30  and name HB+   ) (resid   31  and name HN    )   2.80  0.80  0.80
assign (resid   31  and name HA    ) (resid   32  and name HN    )   2.90  0.90  0.90
assign (resid   31  and name HA    ) (resid   34  and name HN    )   2.85  0.85  0.85
assign (resid   32  and name HN    ) (resid   32  and name HB+   )   2.90  0.90  0.90
assign (resid   32  and name HA    ) (resid   33  and name HN    )   2.85  0.85  0.85
assign (resid   32  and name HA    ) (resid   35  and name HN    )   3.00  1.00  1.00
assign (resid   33  and name HN    ) (resid   33  and name HB+   )   2.80  0.80  0.80
assign (resid   33  and name HA    ) (resid   33  and name HB+   )   2.80  0.80  0.80
assign (resid   33  and name HA    ) (resid   34  and name HN    )   2.90  0.90  0.90
assign (resid   33  and name HA    ) (resid   36  and name HN    )   2.95  0.95  0.95
assign (resid   33  and name HA    ) (resid   36  and name HB    )   3.10  1.10  1.10
assign (resid   33  and name HB+   ) (resid   34  and name HN    )   3.20  1.20  1.20
assign (resid   34  and name HA    ) (resid   35  and name HN    )   2.90  0.90  0.90
assign (resid   35  and name HA    ) (resid   36  and name HN    )   2.90  0.90  0.90
assign (resid   35  and name HB+   ) (resid   36  and name HN    )   3.00  1.00  1.00
assign (resid   36  and name HA    ) (resid   37  and name HN    )   2.75  0.75  0.75
assign (resid   36  and name HA    ) (resid   36  and name HG*   )   3.20  1.20  1.20
assign (resid   36  and name HB    ) (resid   36  and name HG*   )   3.25  1.25  1.25
assign (resid   36  and name HB    ) (resid   37  and name HN    )   2.90  0.90  0.90
assign (resid   37  and name HN    ) (resid   38  and name HN    )   2.60  0.60  0.60
assign (resid   37  and name HA    ) (resid   37  and name HB+   )   2.90  0.90  0.90
assign (resid   37  and name HA    ) (resid   37  and name HG+   )   3.00  1.00  1.00
assign (resid   37  and name HB+   ) (resid   38  and name HN    )   3.20  1.20  1.20
assign (resid   38  and name HN    ) (resid   38  and name HB+   )   2.80  0.80  0.80
assign (resid   38  and name HN    ) (resid   39  and name HN+   )   3.20  1.20  1.20
assign (resid   38  and name HA    ) (resid   39  and name HN+   )   3.20  1.20  1.20


{ Beginning NOE class WEAK}
classification WEAK

assign (resid    0  and name H3+   ) (resid    2  and name HN    )   3.50  1.50  1.50
assign (resid    0  and name H3+   ) (resid    2  and name HD1   )   3.50  1.50  1.50
assign (resid    0  and name H3+   ) (resid    3  and name HB+   )   4.00  2.00  2.00
assign (resid    0  and name H3+   ) (resid    3  and name HD*   )   4.50  2.50  2.50
assign (resid    1  and name HA    ) (resid    4  and name HD+   )   3.50  1.50  1.50
assign (resid    1  and name HA    ) (resid    4  and name HE+   )   3.60  1.60  1.60
assign (resid    1  and name HB+   ) (resid    2  and name HN    )   3.50  1.50  1.50
assign (resid    1  and name HX+   ) (resid    3  and name HN    )   3.80  1.80  1.80
assign (resid    2  and name HZ2   ) (resid    6  and name HG+   )   3.60  1.60  1.60
assign (resid    2  and name HZ2   ) (resid    6  and name HD+   )   3.85  1.85  1.85
assign (resid    2  and name HH2   ) (resid    6  and name HG+   )   4.00  2.00  2.00
assign (resid    2  and name HE3   ) (resid    3  and name HD*   )   4.00  2.00  2.00
assign (resid    2  and name HZ3   ) (resid    3  and name HD*   )   4.00  2.00  2.00
assign (resid    3  and name HN    ) (resid    3  and name HD*   )   4.00  2.00  2.00
assign (resid    3  and name HG    ) (resid    7  and name HG*   )   4.20  2.20  2.20
assign (resid    3  and name HD*   ) (resid    7  and name HG*   )   4.50  2.50  2.50
assign (resid    3  and name HD*   ) (resid   36  and name HA    )   4.00  2.00  2.00
assign (resid    3  and name HD*   ) (resid   36  and name HG*   )   4.50  2.50  2.50
assign (resid    4  and name HN    ) (resid    4  and name HD+   )   3.80  1.80  1.80
assign (resid    4  and name HD+   ) (resid   36  and name HG*   )   4.50  2.50  2.50
assign (resid    4  and name HA    ) (resid    7  and name HG*   )   4.00  2.00  2.00
assign (resid    4  and name HB+   ) (resid    7  and name HG*   )   4.50  2.50  2.50
assign (resid    7  and name HA    ) (resid   10  and name HG+   )   3.50  1.50  1.50
assign (resid    7  and name HA    ) (resid   11  and name HD*   )   4.00  2.00  2.00
assign (resid    7  and name HG*   ) (resid   11  and name HN    )   4.00  2.00  2.00
assign (resid    7  and name HG*   ) (resid   32  and name HA    )   4.00  2.00  2.00
assign (resid    7  and name HG*   ) (resid   32  and name HB+   )   4.50  2.50  2.50
assign (resid    9  and name HA    ) (resid   11  and name HN    )   4.00  2.00  2.00
assign (resid   11  and name HD*   ) (resid   28  and name HG+   )   4.00  2.00  2.00
assign (resid   12  and name HA    ) (resid   16  and name HN    )   3.60  1.60  1.60
assign (resid   15  and name HB+   ) (resid   25  and name HG    )   4.00  2.00  2.00
assign (resid   17  and name HA    ) (resid   17  and name HD+   )   3.60  1.60  1.60
assign (resid   19  and name HA    ) (resid   21  and name HN    )   3.40  1.40  1.40
assign (resid   19  and name HG+   ) (resid   21  and name HN    )   4.00  2.00  2.00
assign (resid   21  and name HA    ) (resid   25  and name HD*   )   4.50  2.50  2.50
assign (resid   22  and name HA    ) (resid   25  and name HB+   )   3.40  1.40  1.40
assign (resid   22  and name HA    ) (resid   25  and name HD*   )   3.50  1.50  1.50
assign (resid   22  and name HB+   ) (resid   25  and name HD*   )   4.00  2.00  2.00
assign (resid   22  and name HB+   ) (resid   25  and name HD*   )   4.00  2.00  2.00
assign (resid   25  and name HD*   ) (resid   26  and name HH*   )   4.00  2.00  2.00
assign (resid   28  and name HA    ) (resid   31  and name HD+   )   3.40  1.40  1.40
assign (resid   28  and name HA    ) (resid   32  and name HN    )   3.50  1.50  1.50
assign (resid   28  and name HG+   ) (resid   32  and name HD*   )   4.50  2.50  2.50
assign (resid   28  and name HG+   ) (resid   32  and name HB+   )   4.00  2.00  2.00
assign (resid   29  and name HA    ) (resid   32  and name HD*   )   3.80  1.80  1.80
assign (resid   29  and name HA    ) (resid   31  and name HN    )   4.00  2.00  2.00 
assign (resid   32  and name HG    ) (resid   36  and name HG*   )   4.00  2.00  2.00
assign (resid   33  and name HA    ) (resid   36  and name HD*   )   4.00  2.00  2.00
assign (resid   33  and name HG+   ) (resid   36  and name HG*   )   4.00  2.00  2.00
assign (resid   34  and name HA    ) (resid   36  and name HN    )   4.00  2.00  2.00
assign (resid   36  and name HA    ) (resid   38  and name HN+   )   3.40  1.40  1.40

{ End of NOE restraints }







! dihedral restraints for yf4
! phi angle restraints

restraints dihedral
assign  (resid 1 and name C )   (resid 2 and name N)
        (resid 2 and name CA)   (resid 2 and name C)   1.0 -65. 25. 2
assign  (resid 2 and name C )   (resid 3 and name N)   
        (resid 3 and name CA)   (resid 3 and name C)   1.0 -65. 25. 2
assign  (resid 3 and name C )   (resid 4 and name N)
        (resid 4 and name CA)   (resid 4 and name C)   1.0 -65. 25. 2
assign  (resid 5 and name C )   (resid 6 and name N)
        (resid 6 and name CA)   (resid 6 and name C)   1.0 -65. 25. 2
assign  (resid 6 and name C )   (resid 7 and name N)
        (resid 7 and name CA)   (resid 7 and name C)   1.0 -65. 25. 2
assign  (resid 8 and name C )   (resid 9 and name N)
        (resid 9 and name CA)   (resid 9 and name C)   1.0 -65. 25. 2
assign  (resid 10 and name C )  (resid 11 and name N )
        (resid 11 and name CA)  (resid 11 and name C ) 1.0 -65. 25. 2
assign  (resid 11 and name C )  (resid 12 and name N )
        (resid 12 and name CA)  (resid 12 and name C ) 1.0 -65. 25. 2
assign  (resid 13 and name C )  (resid 14 and name N )
        (resid 14 and name CA)  (resid 14 and name C ) 1.0 -65. 25. 2
assign  (resid 15 and name C )  (resid 16 and name N )
        (resid 16 and name CA)  (resid 16 and name C ) 1.0 -65. 25. 2 
assign  (resid 23 and name C )  (resid 24 and name N ) 
        (resid 24 and name CA)  (resid 24 and name C ) 1.0 -65. 25. 2
assign  (resid 24 and name C )  (resid 25 and name N ) 
        (resid 25 and name CA)  (resid 25 and name C ) 1.0 -65. 25. 2
assign  (resid 26 and name C )  (resid 27 and name N )
        (resid 27 and name CA)  (resid 27 and name C ) 1.0 -65. 25. 2
assign  (resid 27 and name C )  (resid 28 and name N )
        (resid 28 and name CA)  (resid 28 and name C ) 1.0 -65. 25. 2
assign  (resid 28 and name C )  (resid 29 and name N )
        (resid 29 and name CA)  (resid 29 and name C ) 1.0 -65. 25. 2
assign  (resid 29 and name C )  (resid 30 and name N )
        (resid 30 and name CA)  (resid 30 and name C ) 1.0 -65. 25. 2
assign  (resid 32 and name C )  (resid 33 and name N )
        (resid 33 and name CA)  (resid 33 and name C ) 1.0 -65. 25. 2
assign  (resid 33 and name C )  (resid 34 and name N )
        (resid 34 and name CA)  (resid 34 and name C ) 1.0 -65. 25. 2
assign  (resid 34 and name C )  (resid 35 and name N )
        (resid 35 and name CA)  (resid 35 and name C ) 1.0 -65. 25. 2
assign  (resid 36 and name C )  (resid 37 and name N ) 
        (resid 37 and name CA)  (resid 37 and name C ) 1.0 -65. 25. 2

end

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H2   SIN   0          1H2       SIN   0  15.778   0.862   0.862
    2   2H2   SIN   0          2H2       SIN   0  14.596  -0.326  -0.326
    3   1H3   SIN   0          1H3       SIN   0  13.458   1.028   1.028
    4   2H3   SIN   0          2H3       SIN   0  14.118   2.259   2.259
    5    H    ASP   1           HN       ASP   1  13.485   1.816   1.816
    6    HA   ASP   1           HA       ASP   1  10.760   1.003   1.003
    7   1HB   ASP   1           HB1      ASP   1  12.249   3.141   3.141
    8   2HB   ASP   1           HB2      ASP   1  10.778   2.314   2.314
    9    H    TRP   2           HN       TRP   2  12.259   4.093   4.093
   10    HA   TRP   2           HA       TRP   2  10.021   5.754   5.754
   11   1HB   TRP   2           HB1      TRP   2  11.139   7.146   7.146
   12   2HB   TRP   2           HB2      TRP   2  12.358   6.477   6.477
   13    HD1  TRP   2           HD1      TRP   2  13.636   4.247   4.247
   14    HE1  TRP   2           HE1      TRP   2  14.361   3.619   3.619
   15    HE3  TRP   2           HE3      TRP   2  10.596   7.346   7.346
   16    HZ2  TRP   2           HZ2      TRP   2  13.713   4.350   4.350
   17    HZ3  TRP   2           HZ3      TRP   2  10.665   7.370   7.370
   18    HH2  TRP   2           HH2      TRP   2  12.221   5.872   5.872
   19    H    LEU   3           HN       LEU   3  10.864   3.278   3.278
   20    HA   LEU   3           HA       LEU   3   9.144   4.081   4.081
   21   1HB   LEU   3           HB1      LEU   3  10.692   1.771   1.771
   22   2HB   LEU   3           HB2      LEU   3   9.073   1.235   1.235
   23    HG   LEU   3           HG       LEU   3   9.660   3.285   3.285
   24   1HD1  LEU   3          HD11      LEU   3  12.075   2.787   2.787
   25   2HD1  LEU   3          HD12      LEU   3  12.020   1.464   1.464
   26   3HD1  LEU   3          HD13      LEU   3  11.852   3.131   3.131
   27   1HD2  LEU   3          HD21      LEU   3   8.725   0.750   0.750
   28   2HD2  LEU   3          HD22      LEU   3   9.210   1.650   1.650
   29   3HD2  LEU   3          HD23      LEU   3  10.326   0.502   0.502
   30    H    LYS   4           HN       LYS   4   8.440   2.218   2.218
   31    HA   LYS   4           HA       LYS   4   5.857   1.325   1.325
   32   1HB   LYS   4           HB1      LYS   4   7.366   2.022   2.022
   33   2HB   LYS   4           HB2      LYS   4   5.674   2.489   2.489
   34   1HG   LYS   4           HG1      LYS   4   5.044   0.333   0.333
   35   2HG   LYS   4           HG2      LYS   4   5.891  -0.118  -0.118
   36   1HD   LYS   4           HD1      LYS   4   6.874  -1.357  -1.357
   37   2HD   LYS   4           HD2      LYS   4   8.035  -0.133  -0.133
   38   1HE   LYS   4           HE1      LYS   4   8.063   0.662   0.662
   39   2HE   LYS   4           HE2      LYS   4   6.363   1.099   1.099
   40   1HZ   LYS   4           HZ1      LYS   4   6.327  -1.596  -1.596
   41   2HZ   LYS   4           HZ2      LYS   4   7.542  -1.048  -1.048
   42   3HZ   LYS   4           HZ3      LYS   4   5.973  -0.404  -0.404
   43    H    ALA   5           HN       ALA   5   6.965   4.601   4.601
   44    HA   ALA   5           HA       ALA   5   4.304   5.773   5.773
   45   1HB   ALA   5           HB3      ALA   5   7.122   6.783   6.783
   46   2HB   ALA   5           HB1      ALA   5   5.850   7.886   7.886
   47   3HB   ALA   5           HB2      ALA   5   5.797   7.189   7.189
   48    H    ARG   6           HN       ARG   6   6.920   5.388   5.388
   49    HA   ARG   6           HA       ARG   6   5.869   6.833   6.833
   50   1HB   ARG   6           HB1      ARG   6   7.412   4.228   4.228
   51   2HB   ARG   6           HB2      ARG   6   7.002   5.024   5.024
   52   1HG   ARG   6           HG1      ARG   6   8.324   6.640   6.640
   53   2HG   ARG   6           HG2      ARG   6   9.309   5.521   5.521
   54   1HD   ARG   6           HD1      ARG   6   8.934   8.011   8.011
   55   2HD   ARG   6           HD2      ARG   6   8.959   6.678   6.678
   56    HE   ARG   6           HE       ARG   6   6.428   6.722   6.722
   57   1HH1  ARG   6          HH11      ARG   6   6.580   8.784   8.784
   58   2HH1  ARG   6          HH12      ARG   6   6.102  10.221  10.221
   59   1HH2  ARG   6          HH21      ARG   6   6.565   8.850   8.850
   60   2HH2  ARG   6          HH22      ARG   6   6.093  10.259  10.259
   61    H    VAL   7           HN       VAL   7   4.892   3.736   3.736
   62    HA   VAL   7           HA       VAL   7   3.139   3.099   3.099
   63    HB   VAL   7           HB       VAL   7   3.030   1.783   1.783
   64   1HG1  VAL   7          HG13      VAL   7   1.478   1.084   1.084
   65   2HG1  VAL   7          HG11      VAL   7   2.867   0.728   0.728
   66   3HG1  VAL   7          HG12      VAL   7   2.596  -0.206  -0.206
   67   1HG2  VAL   7          HG23      VAL   7   5.348   2.008   2.008
   68   2HG2  VAL   7          HG21      VAL   7   5.272   1.451   1.451
   69   3HG2  VAL   7          HG22      VAL   7   4.901   0.339   0.339
   70    H    GLU   8           HN       GLU   8   2.781   4.329   4.329
   71    HA   GLU   8           HA       GLU   8  -0.050   4.248   4.248
   72   1HB   GLU   8           HB1      GLU   8   2.016   5.232   5.232
   73   2HB   GLU   8           HB2      GLU   8   1.067   6.664   6.664
   74   1HG   GLU   8           HG1      GLU   8  -0.701   5.975   5.975
   75   2HG   GLU   8           HG2      GLU   8  -0.564   4.310   4.310
   76    H    GLN   9           HN       GLN   9   2.015   7.010   7.010
   77    HA   GLN   9           HA       GLN   9  -0.085   8.711   8.711
   78   1HB   GLN   9           HB1      GLN   9   2.774   8.423   8.423
   79   2HB   GLN   9           HB2      GLN   9   1.698   9.657   9.657
   80   1HG   GLN   9           HG1      GLN   9   1.259  10.390  10.390
   81   2HG   GLN   9           HG2      GLN   9   2.560   9.307   9.307
   82   1HE2  GLN   9          HE22      GLN   9   3.491  12.937  12.937
   83   2HE2  GLN   9          HE21      GLN   9   1.914  12.488  12.488
   84    H    GLU  10           HN       GLU  10   1.278   5.886   5.886
   85    HA   GLU  10           HA       GLU  10   0.346   6.378   6.378
   86   1HB   GLU  10           HB1      GLU  10   2.032   4.584   4.584
   87   2HB   GLU  10           HB2      GLU  10   0.576   3.603   3.603
   88   1HG   GLU  10           HG1      GLU  10   0.598   3.162   3.162
   89   2HG   GLU  10           HG2      GLU  10   0.539   4.888   4.888
   90    H    LEU  11           HN       LEU  11  -0.940   4.028   4.028
   91    HA   LEU  11           HA       LEU  11  -3.469   3.907   3.907
   92   1HB   LEU  11           HB1      LEU  11  -4.150   2.433   2.433
   93   2HB   LEU  11           HB2      LEU  11  -2.619   1.931   1.931
   94    HG   LEU  11           HG       LEU  11  -2.111   3.942   3.942
   95   1HD1  LEU  11          HD13      LEU  11  -3.797   1.622   1.622
   96   2HD1  LEU  11          HD11      LEU  11  -2.868   2.685   2.685
   97   3HD1  LEU  11          HD12      LEU  11  -4.199   3.336   3.336
   98   1HD2  LEU  11          HD22      LEU  11  -0.688   1.983   1.983
   99   2HD2  LEU  11          HD23      LEU  11  -0.543   2.357   2.357
  100   3HD2  LEU  11          HD21      LEU  11  -1.530   0.993   0.993
  101    H    GLN  12           HN       GLN  12  -2.232   6.286   6.286
  102    HA   GLN  12           HA       GLN  12  -4.444   6.805   6.805
  103   1HB   GLN  12           HB1      GLN  12  -1.898   8.072   8.072
  104   2HB   GLN  12           HB2      GLN  12  -3.183   9.240   9.240
  105   1HG   GLN  12           HG1      GLN  12  -3.641   8.190   8.190
  106   2HG   GLN  12           HG2      GLN  12  -2.422   6.956   6.956
  107   1HE2  GLN  12          HE22      GLN  12  -1.208  10.779  10.779
  108   2HE2  GLN  12          HE21      GLN  12  -2.778  10.525  10.525
  109    H    ALA  13           HN       ALA  13  -3.356   8.468   8.468
  110    HA   ALA  13           HA       ALA  13  -5.821   9.971   9.971
  111   1HB   ALA  13           HB3      ALA  13  -3.403  10.403  10.403
  112   2HB   ALA  13           HB1      ALA  13  -4.033   9.471   9.471
  113   3HB   ALA  13           HB2      ALA  13  -4.838  10.960  10.960
  114    H    LEU  14           HN       LEU  14  -4.674   6.883   6.883
  115    HA   LEU  14           HA       LEU  14  -6.658   6.570   6.570
  116   1HB   LEU  14           HB1      LEU  14  -4.527   5.016   5.016
  117   2HB   LEU  14           HB2      LEU  14  -5.980   4.018   4.018
  118    HG   LEU  14           HG       LEU  14  -4.862   3.760   3.760
  119   1HD1  LEU  14          HD11      LEU  14  -7.452   4.601   4.601
  120   2HD1  LEU  14          HD12      LEU  14  -6.804   5.805   5.805
  121   3HD1  LEU  14          HD13      LEU  14  -6.708   4.091   4.091
  122   1HD2  LEU  14          HD22      LEU  14  -3.590   6.000   6.000
  123   2HD2  LEU  14          HD23      LEU  14  -3.985   5.537   5.537
  124   3HD2  LEU  14          HD21      LEU  14  -4.964   6.742   6.742
  125    H    GLU  15           HN       GLU  15  -6.499   5.115   5.115
  126    HA   GLU  15           HA       GLU  15  -9.221   4.165   4.165
  127   1HB   GLU  15           HB1      GLU  15  -7.720   3.072   3.072
  128   2HB   GLU  15           HB2      GLU  15  -7.298   4.599   4.599
  129   1HG   GLU  15           HG1      GLU  15  -8.968   3.153   3.153
  130   2HG   GLU  15           HG2      GLU  15  -9.490   4.810   4.810
  131    H    ALA  16           HN       ALA  16  -7.861   7.257   7.257
  132    HA   ALA  16           HA       ALA  16  -9.878   8.305   8.305
  133   1HB   ALA  16           HB3      ALA  16  -7.930   9.593   9.593
  134   2HB   ALA  16           HB1      ALA  16  -9.073  10.544  10.544
  135   3HB   ALA  16           HB2      ALA  16  -7.859   9.555   9.555
  136    H    ARG  17           HN       ARG  17  -9.698   7.829   7.829
  137    HA   ARG  17           HA       ARG  17 -12.486   8.886   8.886
  138   1HB   ARG  17           HB1      ARG  17 -10.077   9.639   9.639
  139   2HB   ARG  17           HB2      ARG  17 -11.518   9.323   9.323
  140   1HG   ARG  17           HG1      ARG  17 -12.786  10.968  10.968
  141   2HG   ARG  17           HG2      ARG  17 -11.515  11.139  11.139
  142   1HD   ARG  17           HD1      ARG  17 -10.009  11.830  11.830
  143   2HD   ARG  17           HD2      ARG  17 -11.527  12.076  12.076
  144    HE   ARG  17           HE       ARG  17 -11.107  13.442  13.442
  145   1HH1  ARG  17          HH11      ARG  17 -13.239  13.643  13.643
  146   2HH1  ARG  17          HH12      ARG  17 -12.868  15.247  15.247
  147   1HH2  ARG  17          HH21      ARG  17  -9.902  15.443  15.443
  148   2HH2  ARG  17          HH22      ARG  17 -10.977  16.266  16.266
  149    H    GLY  18           HN       GLY  18 -11.479   6.141   6.141
  150   1HA   GLY  18           HA1      GLY  18 -12.501   4.991   4.991
  151   2HA   GLY  18           HA2      GLY  18 -11.162   4.248   4.248
  152    H    THR  19           HN       THR  19 -14.509   4.229   4.229
  153    HA   THR  19           HA       THR  19 -14.991   3.050   3.050
  154    HB   THR  19           HB       THR  19 -16.649   4.681   4.681
  155    HG1  THR  19           HG1      THR  19 -17.487   2.659   2.659
  156   1HG2  THR  19          HG22      THR  19 -16.361   3.552   3.552
  157   2HG2  THR  19          HG23      THR  19 -17.959   4.150   4.150
  158   3HG2  THR  19          HG21      THR  19 -16.564   5.228   5.228
  159    H    ASP  20           HN       ASP  20 -13.437   1.480   1.480
  160    HA   ASP  20           HA       ASP  20 -15.120  -0.901  -0.901
  161   1HB   ASP  20           HB1      ASP  20 -14.472  -1.229  -1.229
  162   2HB   ASP  20           HB2      ASP  20 -15.719  -0.022  -0.022
  163    H    SER  21           HN       SER  21 -13.029  -0.712  -0.712
  164    HA   SER  21           HA       SER  21 -11.174  -2.673  -2.673
  165   1HB   SER  21           HB1      SER  21  -9.579  -0.415  -0.415
  166   2HB   SER  21           HB2      SER  21  -9.393  -1.386  -1.386
  167    HG   SER  21           HG       SER  21  -9.918   0.784   0.784
  168    H    ASN  22           HN       ASN  22 -12.985  -2.436  -2.436
  169    HA   ASN  22           HA       ASN  22 -11.264  -2.014  -2.014
  170   1HB   ASN  22           HB1      ASN  22 -13.394  -2.802  -2.802
  171   2HB   ASN  22           HB2      ASN  22 -13.493  -1.276  -1.276
  172   1HD2  ASN  22          HD22      ASN  22 -15.647  -4.504  -4.504
  173   2HD2  ASN  22          HD21      ASN  22 -14.526  -4.659  -4.659
  174    H    ALA  23           HN       ALA  23 -11.156  -4.308  -4.308
  175    HA   ALA  23           HA       ALA  23 -10.953  -6.498  -6.498
  176   1HB   ALA  23           HB2      ALA  23 -12.753  -6.558  -6.558
  177   2HB   ALA  23           HB3      ALA  23 -11.366  -7.115  -7.115
  178   3HB   ALA  23           HB1      ALA  23 -11.890  -8.018  -8.018
  179    H    GLU  24           HN       GLU  24  -9.672  -5.198  -5.198
  180    HA   GLU  24           HA       GLU  24  -7.415  -6.949  -6.949
  181   1HB   GLU  24           HB1      GLU  24  -8.166  -4.334  -4.334
  182   2HB   GLU  24           HB2      GLU  24  -6.492  -4.878  -4.878
  183   1HG   GLU  24           HG1      GLU  24  -8.021  -7.154  -7.154
  184   2HG   GLU  24           HG2      GLU  24  -8.855  -5.840  -5.840
  185    H    LEU  25           HN       LEU  25  -8.138  -4.435  -4.435
  186    HA   LEU  25           HA       LEU  25  -5.682  -3.148  -3.148
  187   1HB   LEU  25           HB1      LEU  25  -7.962  -3.924  -3.924
  188   2HB   LEU  25           HB2      LEU  25  -6.509  -3.203  -3.203
  189    HG   LEU  25           HG       LEU  25  -7.970  -1.963  -1.963
  190   1HD1  LEU  25          HD12      LEU  25  -8.846  -2.165  -2.165
  191   2HD1  LEU  25          HD13      LEU  25  -8.431  -0.488  -0.488
  192   3HD1  LEU  25          HD11      LEU  25  -9.622  -1.328  -1.328
  193   1HD2  LEU  25          HD21      LEU  25  -5.670  -1.296  -1.296
  194   2HD2  LEU  25          HD22      LEU  25  -5.997  -0.810  -0.810
  195   3HD2  LEU  25          HD23      LEU  25  -6.779   0.036   0.036
  196    H    ARG  26           HN       ARG  26  -6.815  -6.266  -6.266
  197    HA   ARG  26           HA       ARG  26  -4.564  -6.813  -6.813
  198   1HB   ARG  26           HB1      ARG  26  -6.724  -8.400  -8.400
  199   2HB   ARG  26           HB2      ARG  26  -5.264  -9.302  -9.302
  200   1HG   ARG  26           HG1      ARG  26  -6.717  -9.368  -9.368
  201   2HG   ARG  26           HG2      ARG  26  -5.390  -8.269  -8.269
  202   1HD   ARG  26           HD1      ARG  26  -7.403  -6.722  -6.722
  203   2HD   ARG  26           HD2      ARG  26  -8.215  -7.720  -7.720
  204    HE   ARG  26           HE       ARG  26  -6.157  -6.764  -6.764
  205   1HH1  ARG  26          HH11      ARG  26  -5.551  -4.523  -4.523
  206   2HH1  ARG  26          HH12      ARG  26  -6.650  -3.288  -3.288
  207   1HH2  ARG  26          HH21      ARG  26  -8.753  -5.483  -5.483
  208   2HH2  ARG  26          HH22      ARG  26  -8.464  -3.831  -3.831
  209    H    ALA  27           HN       ALA  27  -5.169  -8.154  -8.154
  210    HA   ALA  27           HA       ALA  27  -2.709  -9.331  -9.331
  211   1HB   ALA  27           HB2      ALA  27  -4.542  -7.808  -7.808
  212   2HB   ALA  27           HB3      ALA  27  -3.064  -8.565  -8.565
  213   3HB   ALA  27           HB1      ALA  27  -4.327  -9.553  -9.553
  214    H    MET  28           HN       MET  28  -3.395  -5.914  -5.914
  215    HA   MET  28           HA       MET  28  -0.985  -4.998  -4.998
  216   1HB   MET  28           HB1      MET  28  -3.151  -3.674  -3.674
  217   2HB   MET  28           HB2      MET  28  -2.395  -3.463  -3.463
  218   1HG   MET  28           HG1      MET  28  -0.861  -1.991  -1.991
  219   2HG   MET  28           HG2      MET  28  -0.598  -2.930  -2.930
  220   1HE   MET  28           HE3      MET  28  -3.042  -3.363  -3.363
  221   2HE   MET  28           HE1      MET  28  -3.354  -1.923  -1.923
  222   3HE   MET  28           HE2      MET  28  -1.715  -2.552  -2.552
  223    H    GLU  29           HN       GLU  29  -1.859  -5.196  -5.196
  224    HA   GLU  29           HA       GLU  29   0.556  -4.443  -4.443
  225   1HB   GLU  29           HB1      GLU  29  -1.761  -5.800  -5.800
  226   2HB   GLU  29           HB2      GLU  29  -0.398  -6.809  -6.809
  227   1HG   GLU  29           HG1      GLU  29   0.264  -4.060  -4.060
  228   2HG   GLU  29           HG2      GLU  29  -1.312  -4.399  -4.399
  229    H    ALA  30           HN       ALA  30  -0.216  -7.534  -7.534
  230    HA   ALA  30           HA       ALA  30   2.044  -9.017  -9.017
  231   1HB   ALA  30           HB3      ALA  30   0.081  -9.134  -9.134
  232   2HB   ALA  30           HB1      ALA  30   1.638  -9.869  -9.869
  233   3HB   ALA  30           HB2      ALA  30   0.718 -10.431 -10.431
  234    H    LYS  31           HN       LYS  31   1.666  -7.183  -7.183
  235    HA   LYS  31           HA       LYS  31   4.380  -7.431  -7.431
  236   1HB   LYS  31           HB1      LYS  31   2.129  -5.581  -5.581
  237   2HB   LYS  31           HB2      LYS  31   3.756  -5.161  -5.161
  238   1HG   LYS  31           HG1      LYS  31   2.442  -6.542  -6.542
  239   2HG   LYS  31           HG2      LYS  31   3.977  -7.263  -7.263
  240   1HD   LYS  31           HD1      LYS  31   2.925  -8.851  -8.851
  241   2HD   LYS  31           HD2      LYS  31   1.424  -7.927  -7.927
  242   1HE   LYS  31           HE1      LYS  31   1.699  -8.374  -8.374
  243   2HE   LYS  31           HE2      LYS  31   2.349  -9.864  -9.864
  244   1HZ   LYS  31           HZ3      LYS  31  -0.013  -9.038  -9.038
  245   2HZ   LYS  31           HZ1      LYS  31  -0.300  -9.222  -9.222
  246   3HZ   LYS  31           HZ2      LYS  31   0.331 -10.517 -10.517
  247    H    LEU  32           HN       LEU  32   2.881  -5.396  -5.396
  248    HA   LEU  32           HA       LEU  32   4.549  -3.170  -3.170
  249   1HB   LEU  32           HB1      LEU  32   2.631  -3.613  -3.613
  250   2HB   LEU  32           HB2      LEU  32   3.618  -4.806  -4.806
  251    HG   LEU  32           HG       LEU  32   5.319  -2.968  -2.968
  252   1HD1  LEU  32          HD13      LEU  32   3.091  -1.402  -1.402
  253   2HD1  LEU  32          HD11      LEU  32   4.162  -0.631  -0.631
  254   3HD1  LEU  32          HD12      LEU  32   4.825  -1.319  -1.319
  255   1HD2  LEU  32          HD21      LEU  32   3.573  -3.721  -3.721
  256   2HD2  LEU  32          HD22      LEU  32   4.128  -2.061  -2.061
  257   3HD2  LEU  32          HD23      LEU  32   2.569  -2.376  -2.376
  258    H    LYS  33           HN       LYS  33   5.135  -5.994  -5.994
  259    HA   LYS  33           HA       LYS  33   7.816  -5.333  -5.333
  260   1HB   LYS  33           HB1      LYS  33   6.412  -7.060  -7.060
  261   2HB   LYS  33           HB2      LYS  33   6.686  -8.139  -8.139
  262   1HG   LYS  33           HG1      LYS  33   9.233  -7.465  -7.465
  263   2HG   LYS  33           HG2      LYS  33   8.592  -7.207  -7.207
  264   1HD   LYS  33           HD1      LYS  33   7.529  -9.665  -9.665
  265   2HD   LYS  33           HD2      LYS  33   9.283  -9.678  -9.678
  266   1HE   LYS  33           HE1      LYS  33   8.968 -10.519 -10.519
  267   2HE   LYS  33           HE2      LYS  33   9.310  -8.812  -8.812
  268   1HZ   LYS  33           HZ2      LYS  33   6.563  -9.887  -9.887
  269   2HZ   LYS  33           HZ3      LYS  33   7.340  -9.724  -9.724
  270   3HZ   LYS  33           HZ1      LYS  33   7.025  -8.350  -8.350
  271    H    ALA  34           HN       ALA  34   6.457  -7.102  -7.102
  272    HA   ALA  34           HA       ALA  34   8.765  -8.312  -8.312
  273   1HB   ALA  34           HB3      ALA  34   6.230  -7.268  -7.268
  274   2HB   ALA  34           HB1      ALA  34   7.553  -7.529  -7.529
  275   3HB   ALA  34           HB2      ALA  34   6.959  -8.866  -8.866
  276    H    GLU  35           HN       GLU  35   7.749  -4.928  -4.928
  277    HA   GLU  35           HA       GLU  35   9.847  -4.156  -4.156
  278   1HB   GLU  35           HB1      GLU  35   7.591  -2.914  -2.914
  279   2HB   GLU  35           HB2      GLU  35   9.015  -1.928  -1.928
  280   1HG   GLU  35           HG1      GLU  35   9.519  -1.716  -1.716
  281   2HG   GLU  35           HG2      GLU  35   8.344  -2.959  -2.959
  282    H    ILE  36           HN       ILE  36   9.459  -4.031  -4.031
  283    HA   ILE  36           HA       ILE  36  11.780  -2.580  -2.580
  284    HB   ILE  36           HB       ILE  36  10.547  -4.929  -4.929
  285   1HG1  ILE  36          HG11      ILE  36  10.229  -2.018  -2.018
  286   2HG1  ILE  36          HG12      ILE  36   9.215  -2.737  -2.737
  287   1HG2  ILE  36          HG22      ILE  36  12.888  -3.248  -3.248
  288   2HG2  ILE  36          HG23      ILE  36  11.709  -3.218  -3.218
  289   3HG2  ILE  36          HG21      ILE  36  12.389  -4.753  -4.753
  290   1HD1  ILE  36          HD13      ILE  36   9.049  -4.622  -4.622
  291   2HD1  ILE  36          HD11      ILE  36   9.173  -3.138  -3.138
  292   3HD1  ILE  36          HD12      ILE  36   7.876  -3.326  -3.326
  293    H    GLN  37           HN       GLN  37  11.492  -5.789  -5.789
  294    HA   GLN  37           HA       GLN  37  14.192  -6.569  -6.569
  295   1HB   GLN  37           HB1      GLN  37  12.025  -8.060  -8.060
  296   2HB   GLN  37           HB2      GLN  37  12.708  -8.059  -8.059
  297   1HG   GLN  37           HG1      GLN  37  14.950  -8.578  -8.578
  298   2HG   GLN  37           HG2      GLN  37  13.777  -9.259  -9.259
  299   1HE2  GLN  37          HE22      GLN  37  13.304 -12.139 -12.139
  300   2HE2  GLN  37          HE21      GLN  37  13.147 -11.379 -11.379
  301    H    LYS  38           HN       LYS  38  14.185  -4.166  -4.166
  302    HA   LYS  38           HA       LYS  38  16.212  -4.543  -4.543
  303   1HB   LYS  38           HB1      LYS  38  13.619  -5.359  -5.359
  304   2HB   LYS  38           HB2      LYS  38  14.303  -4.046  -4.046
  305   1HG   LYS  38           HG1      LYS  38  16.015  -5.341  -5.341
  306   2HG   LYS  38           HG2      LYS  38  16.215  -6.172  -6.172
  307   1HD   LYS  38           HD1      LYS  38  15.096  -7.936  -7.936
  308   2HD   LYS  38           HD2      LYS  38  13.670  -6.916  -6.916
  309   1HE   LYS  38           HE1      LYS  38  15.914  -6.947  -6.947
  310   2HE   LYS  38           HE2      LYS  38  14.548  -8.058  -8.058
  311   1HZ   LYS  38           HZ2      LYS  38  14.075  -5.171  -5.171
  312   2HZ   LYS  38           HZ3      LYS  38  14.436  -5.800  -5.800
  313   3HZ   LYS  38           HZ1      LYS  38  13.071  -6.353  -6.353
  314   1HN   NH2  39          1HN       NH2  39  13.703  -1.617  -1.617
  315   2HN   NH2  39          2HN       NH2  39  13.201  -2.308  -2.308

  Start of MODEL    2
    1   1H2   SIN   0          1H2       SIN   0  14.906   0.258   0.258
    2   2H2   SIN   0          2H2       SIN   0  14.322   0.828   0.828
    3   1H3   SIN   0          1H3       SIN   0  12.632   1.379   1.379
    4   2H3   SIN   0          2H3       SIN   0  13.445   2.887   2.887
    5    H    ASP   1           HN       ASP   1  13.051   0.511   0.511
    6    HA   ASP   1           HA       ASP   1  12.260   1.407   1.407
    7   1HB   ASP   1           HB1      ASP   1  14.797   2.020   2.020
    8   2HB   ASP   1           HB2      ASP   1  14.248   3.652   3.652
    9    H    TRP   2           HN       TRP   2  13.245   4.274   4.274
   10    HA   TRP   2           HA       TRP   2  10.971   5.795   5.795
   11   1HB   TRP   2           HB1      TRP   2  11.614   7.328   7.328
   12   2HB   TRP   2           HB2      TRP   2  13.110   6.660   6.660
   13    HD1  TRP   2           HD1      TRP   2  14.593   5.371   5.371
   14    HE1  TRP   2           HE1      TRP   2  14.486   4.604   4.604
   15    HE3  TRP   2           HE3      TRP   2   9.770   6.510   6.510
   16    HZ2  TRP   2           HZ2      TRP   2  12.505   4.495   4.495
   17    HZ3  TRP   2           HZ3      TRP   2   8.776   6.057   6.057
   18    HH2  TRP   2           HH2      TRP   2  10.134   5.059   5.059
   19    H    LEU   3           HN       LEU   3  11.493   3.365   3.365
   20    HA   LEU   3           HA       LEU   3   9.330   4.031   4.031
   21   1HB   LEU   3           HB1      LEU   3   9.985   2.219   2.219
   22   2HB   LEU   3           HB2      LEU   3  11.307   2.127   2.127
   23    HG   LEU   3           HG       LEU   3  10.321  -0.049  -0.049
   24   1HD1  LEU   3          HD12      LEU   3  10.431   1.450   1.450
   25   2HD1  LEU   3          HD13      LEU   3   8.970   0.466   0.466
   26   3HD1  LEU   3          HD11      LEU   3  10.535  -0.301  -0.301
   27   1HD2  LEU   3          HD23      LEU   3   7.937   1.402   1.402
   28   2HD2  LEU   3          HD21      LEU   3   8.138  -0.350  -0.350
   29   3HD2  LEU   3          HD22      LEU   3   7.673   0.469   0.469
   30    H    LYS   4           HN       LYS   4   9.344   2.625   2.625
   31    HA   LYS   4           HA       LYS   4   6.844   1.264   1.264
   32   1HB   LYS   4           HB1      LYS   4   8.674   2.200   2.200
   33   2HB   LYS   4           HB2      LYS   4   7.059   2.751   2.751
   34   1HG   LYS   4           HG1      LYS   4   6.385   0.650   0.650
   35   2HG   LYS   4           HG2      LYS   4   7.077  -0.009  -0.009
   36   1HD   LYS   4           HD1      LYS   4   8.314  -1.029  -1.029
   37   2HD   LYS   4           HD2      LYS   4   9.361   0.257   0.257
   38   1HE   LYS   4           HE1      LYS   4   7.653   1.390   1.390
   39   2HE   LYS   4           HE2      LYS   4   8.324  -0.100  -0.100
   40   1HZ   LYS   4           HZ3      LYS   4  10.336   1.283   1.283
   41   2HZ   LYS   4           HZ1      LYS   4   9.596   2.356   2.356
   42   3HZ   LYS   4           HZ2      LYS   4  10.263   0.901   0.901
   43    H    ALA   5           HN       ALA   5   7.736   4.635   4.635
   44    HA   ALA   5           HA       ALA   5   5.076   5.687   5.687
   45   1HB   ALA   5           HB2      ALA   5   7.724   6.840   6.840
   46   2HB   ALA   5           HB3      ALA   5   6.260   7.822   7.822
   47   3HB   ALA   5           HB1      ALA   5   6.874   7.121   7.121
   48    H    ARG   6           HN       ARG   6   7.087   4.855   4.855
   49    HA   ARG   6           HA       ARG   6   5.600   6.098   6.098
   50   1HB   ARG   6           HB1      ARG   6   7.874   4.618   4.618
   51   2HB   ARG   6           HB2      ARG   6   6.764   3.408   3.408
   52   1HG   ARG   6           HG1      ARG   6   8.053   4.841   4.841
   53   2HG   ARG   6           HG2      ARG   6   6.320   4.643   4.643
   54   1HD   ARG   6           HD1      ARG   6   7.124   6.950   6.950
   55   2HD   ARG   6           HD2      ARG   6   7.573   7.052   7.052
   56    HE   ARG   6           HE       ARG   6   4.748   6.517   6.517
   57   1HH1  ARG   6          HH21      ARG   6   5.618   6.559   6.559
   58   2HH1  ARG   6          HH22      ARG   6   5.175   8.168   8.168
   59   1HH2  ARG   6          HH11      ARG   6   4.837   9.302   9.302
   60   2HH2  ARG   6          HH12      ARG   6   4.734   9.722   9.722
   61    H    VAL   7           HN       VAL   7   5.208   2.999   2.999
   62    HA   VAL   7           HA       VAL   7   3.058   2.092   2.092
   63    HB   VAL   7           HB       VAL   7   3.599   1.117   1.117
   64   1HG1  VAL   7          HG13      VAL   7   2.182   0.168   0.168
   65   2HG1  VAL   7          HG11      VAL   7   3.159  -1.049  -1.049
   66   3HG1  VAL   7          HG12      VAL   7   1.885  -0.203  -0.203
   67   1HG2  VAL   7          HG23      VAL   7   5.145   0.532   0.532
   68   2HG2  VAL   7          HG21      VAL   7   5.779   1.222   1.222
   69   3HG2  VAL   7          HG22      VAL   7   5.246  -0.458  -0.458
   70    H    GLU   8           HN       GLU   8   3.230   3.508   3.508
   71    HA   GLU   8           HA       GLU   8   0.524   3.422   3.422
   72   1HB   GLU   8           HB1      GLU   8   2.769   4.603   4.603
   73   2HB   GLU   8           HB2      GLU   8   1.814   6.008   6.008
   74   1HG   GLU   8           HG1      GLU   8   0.391   3.791   3.791
   75   2HG   GLU   8           HG2      GLU   8   1.472   4.796   4.796
   76    H    GLN   9           HN       GLN   9   2.176   5.898   5.898
   77    HA   GLN   9           HA       GLN   9  -0.086   7.557   7.557
   78   1HB   GLN   9           HB1      GLN   9   2.363   7.014   7.014
   79   2HB   GLN   9           HB2      GLN   9   1.165   8.240   8.240
   80   1HG   GLN   9           HG1      GLN   9   2.738   8.111   8.111
   81   2HG   GLN   9           HG2      GLN   9   3.051   9.224   9.224
   82   1HE2  GLN   9          HE22      GLN   9  -0.553  10.427  10.427
   83   2HE2  GLN   9          HE21      GLN   9  -0.053   9.329   9.329
   84    H    GLU  10           HN       GLU  10   1.256   5.022   5.022
   85    HA   GLU  10           HA       GLU  10  -0.659   5.031   5.031
   86   1HB   GLU  10           HB1      GLU  10   0.971   2.861   2.861
   87   2HB   GLU  10           HB2      GLU  10  -0.292   2.402   2.402
   88   1HG   GLU  10           HG1      GLU  10   1.069   4.602   4.602
   89   2HG   GLU  10           HG2      GLU  10   2.315   3.516   3.516
   90    H    LEU  11           HN       LEU  11  -0.931   3.489   3.489
   91    HA   LEU  11           HA       LEU  11  -3.489   2.289   2.289
   92   1HB   LEU  11           HB1      LEU  11  -2.154   3.031   3.031
   93   2HB   LEU  11           HB2      LEU  11  -3.596   2.024   2.024
   94    HG   LEU  11           HG       LEU  11  -1.246   1.252   1.252
   95   1HD1  LEU  11          HD11      LEU  11  -0.286   1.857   1.857
   96   2HD1  LEU  11          HD12      LEU  11  -1.370   0.673   0.673
   97   3HD1  LEU  11          HD13      LEU  11  -0.122   0.147   0.147
   98   1HD2  LEU  11          HD23      LEU  11  -3.652   0.144   0.144
   99   2HD2  LEU  11          HD21      LEU  11  -2.219  -0.837  -0.837
  100   3HD2  LEU  11          HD22      LEU  11  -2.786  -0.597  -0.597
  101    H    GLN  12           HN       GLN  12  -2.501   5.393   5.393
  102    HA   GLN  12           HA       GLN  12  -5.108   6.205   6.205
  103   1HB   GLN  12           HB1      GLN  12  -2.758   7.269   7.269
  104   2HB   GLN  12           HB2      GLN  12  -3.073   8.175   8.175
  105   1HG   GLN  12           HG1      GLN  12  -5.422   8.602   8.602
  106   2HG   GLN  12           HG2      GLN  12  -4.503   8.275   8.275
  107   1HE2  GLN  12          HE22      GLN  12  -3.229  11.549  11.549
  108   2HE2  GLN  12          HE21      GLN  12  -3.782  10.208  10.208
  109    H    ALA  13           HN       ALA  13  -3.577   6.164   6.164
  110    HA   ALA  13           HA       ALA  13  -5.435   8.025   8.025
  111   1HB   ALA  13           HB1      ALA  13  -3.286   6.166   6.166
  112   2HB   ALA  13           HB2      ALA  13  -4.459   6.749   6.749
  113   3HB   ALA  13           HB3      ALA  13  -3.468   7.897   7.897
  114    H    LEU  14           HN       LEU  14  -5.024   4.469   4.469
  115    HA   LEU  14           HA       LEU  14  -7.527   4.142   4.142
  116   1HB   LEU  14           HB1      LEU  14  -5.584   2.257   2.257
  117   2HB   LEU  14           HB2      LEU  14  -7.131   1.670   1.670
  118    HG   LEU  14           HG       LEU  14  -6.392   3.053   3.053
  119   1HD1  LEU  14          HD12      LEU  14  -4.304   3.840   3.840
  120   2HD1  LEU  14          HD13      LEU  14  -3.734   2.171   2.171
  121   3HD1  LEU  14          HD11      LEU  14  -4.007   3.047   3.047
  122   1HD2  LEU  14          HD23      LEU  14  -5.609   0.288   0.288
  123   2HD2  LEU  14          HD21      LEU  14  -6.833   0.764   0.764
  124   3HD2  LEU  14          HD22      LEU  14  -5.122   0.869   0.869
  125    H    GLU  15           HN       GLU  15  -6.922   4.897   4.897
  126    HA   GLU  15           HA       GLU  15  -9.449   3.551   3.551
  127   1HB   GLU  15           HB1      GLU  15  -7.327   2.916   2.916
  128   2HB   GLU  15           HB2      GLU  15  -7.232   4.583   4.583
  129   1HG   GLU  15           HG1      GLU  15  -9.805   4.018   4.018
  130   2HG   GLU  15           HG2      GLU  15  -9.097   2.409   2.409
  131    H    ALA  16           HN       ALA  16  -7.933   6.576   6.576
  132    HA   ALA  16           HA       ALA  16  -9.754   8.063   8.063
  133   1HB   ALA  16           HB2      ALA  16  -7.643   8.972   8.972
  134   2HB   ALA  16           HB3      ALA  16  -8.586  10.060  10.060
  135   3HB   ALA  16           HB1      ALA  16  -7.481   8.899   8.899
  136    H    ARG  17           HN       ARG  17 -10.188   6.564   6.564
  137    HA   ARG  17           HA       ARG  17 -12.300   8.503   8.503
  138   1HB   ARG  17           HB1      ARG  17 -10.027   7.575   7.575
  139   2HB   ARG  17           HB2      ARG  17 -11.581   7.994   7.994
  140   1HG   ARG  17           HG1      ARG  17 -10.507   9.927   9.927
  141   2HG   ARG  17           HG2      ARG  17  -9.619   9.809   9.809
  142   1HD   ARG  17           HD1      ARG  17 -12.621  10.036  10.036
  143   2HD   ARG  17           HD2      ARG  17 -11.627  11.481  11.481
  144    HE   ARG  17           HE       ARG  17 -10.521  10.230  10.230
  145   1HH1  ARG  17          HH11      ARG  17 -12.491  12.703  12.703
  146   2HH1  ARG  17          HH12      ARG  17 -13.573  12.324  12.324
  147   1HH2  ARG  17          HH21      ARG  17 -12.434   9.067   9.067
  148   2HH2  ARG  17          HH22      ARG  17 -13.539  10.265  10.265
  149    H    GLY  18           HN       GLY  18 -12.043   5.707   5.707
  150   1HA   GLY  18           HA1      GLY  18 -12.970   3.554   3.554
  151   2HA   GLY  18           HA2      GLY  18 -14.353   4.508   4.508
  152    H    THR  19           HN       THR  19 -11.484   2.758   2.758
  153    HA   THR  19           HA       THR  19 -12.779   2.415   2.415
  154    HB   THR  19           HB       THR  19 -11.309   4.392   4.392
  155    HG1  THR  19           HG1      THR  19 -10.139   2.115   2.115
  156   1HG2  THR  19          HG21      THR  19  -9.650   2.999   2.999
  157   2HG2  THR  19          HG22      THR  19  -8.795   2.938   2.938
  158   3HG2  THR  19          HG23      THR  19  -9.250   4.494   4.494
  159    H    ASP  20           HN       ASP  20 -13.007   0.237   0.237
  160    HA   ASP  20           HA       ASP  20 -12.327  -1.999  -1.999
  161   1HB   ASP  20           HB1      ASP  20 -11.458  -1.435  -1.435
  162   2HB   ASP  20           HB2      ASP  20  -9.888  -1.144  -1.144
  163    H    SER  21           HN       SER  21 -11.873  -0.870  -0.870
  164    HA   SER  21           HA       SER  21  -9.442  -2.098  -2.098
  165   1HB   SER  21           HB1      SER  21  -9.069   0.449   0.449
  166   2HB   SER  21           HB2      SER  21  -9.373   0.747   0.747
  167    HG   SER  21           HG       SER  21  -7.121   0.160   0.160
  168    H    ASN  22           HN       ASN  22  -9.249  -0.490  -0.490
  169    HA   ASN  22           HA       ASN  22 -10.233  -0.376  -0.376
  170   1HB   ASN  22           HB1      ASN  22 -12.961  -0.324  -0.324
  171   2HB   ASN  22           HB2      ASN  22 -12.333   0.616   0.616
  172   1HD2  ASN  22          HD22      ASN  22 -12.227   2.202   2.202
  173   2HD2  ASN  22          HD21      ASN  22 -13.116   0.811   0.811
  174    H    ALA  23           HN       ALA  23 -10.195  -2.942  -2.942
  175    HA   ALA  23           HA       ALA  23 -11.688  -4.579  -4.579
  176   1HB   ALA  23           HB1      ALA  23 -12.087  -4.468  -4.468
  177   2HB   ALA  23           HB2      ALA  23 -12.317  -5.999  -5.999
  178   3HB   ALA  23           HB3      ALA  23 -13.293  -4.595  -4.595
  179    H    GLU  24           HN       GLU  24  -9.639  -4.783  -4.783
  180    HA   GLU  24           HA       GLU  24  -8.400  -7.243  -7.243
  181   1HB   GLU  24           HB1      GLU  24  -7.866  -5.405  -5.405
  182   2HB   GLU  24           HB2      GLU  24  -6.902  -6.847  -6.847
  183   1HG   GLU  24           HG1      GLU  24  -9.895  -6.747  -6.747
  184   2HG   GLU  24           HG2      GLU  24  -8.673  -7.397  -7.397
  185    H    LEU  25           HN       LEU  25  -8.070  -4.249  -4.249
  186    HA   LEU  25           HA       LEU  25  -5.357  -3.547  -3.547
  187   1HB   LEU  25           HB1      LEU  25  -7.440  -3.314  -3.314
  188   2HB   LEU  25           HB2      LEU  25  -5.791  -2.746  -2.746
  189    HG   LEU  25           HG       LEU  25  -7.023  -1.901  -1.901
  190   1HD1  LEU  25          HD13      LEU  25  -8.953  -1.737  -1.737
  191   2HD1  LEU  25          HD11      LEU  25  -7.972  -0.783  -0.783
  192   3HD1  LEU  25          HD12      LEU  25  -8.375  -0.141  -0.141
  193   1HD2  LEU  25          HD22      LEU  25  -4.882  -1.170  -1.170
  194   2HD2  LEU  25          HD23      LEU  25  -5.379  -0.369  -0.369
  195   3HD2  LEU  25          HD21      LEU  25  -6.021   0.175   0.175
  196    H    ARG  26           HN       ARG  26  -6.922  -6.156  -6.156
  197    HA   ARG  26           HA       ARG  26  -4.808  -6.771  -6.771
  198   1HB   ARG  26           HB1      ARG  26  -6.738  -8.698  -8.698
  199   2HB   ARG  26           HB2      ARG  26  -5.827  -8.992  -8.992
  200   1HG   ARG  26           HG1      ARG  26  -7.998  -6.922  -6.922
  201   2HG   ARG  26           HG2      ARG  26  -8.061  -8.321  -8.321
  202   1HD   ARG  26           HD1      ARG  26  -7.363  -6.867  -6.867
  203   2HD   ARG  26           HD2      ARG  26  -5.776  -7.044  -7.044
  204    HE   ARG  26           HE       ARG  26  -7.240  -5.013  -5.013
  205   1HH1  ARG  26          HH11      ARG  26  -4.872  -5.641  -5.641
  206   2HH1  ARG  26          HH12      ARG  26  -4.826  -4.027  -4.027
  207   1HH2  ARG  26          HH21      ARG  26  -7.542  -2.941  -2.941
  208   2HH2  ARG  26          HH22      ARG  26  -6.340  -2.500  -2.500
  209    H    ALA  27           HN       ALA  27  -5.429  -7.882  -7.882
  210    HA   ALA  27           HA       ALA  27  -3.238  -9.692  -9.692
  211   1HB   ALA  27           HB1      ALA  27  -5.229  -9.222  -9.222
  212   2HB   ALA  27           HB2      ALA  27  -4.092  -8.085  -8.085
  213   3HB   ALA  27           HB3      ALA  27  -3.683  -9.797  -9.797
  214    H    MET  28           HN       MET  28  -3.457  -6.286  -6.286
  215    HA   MET  28           HA       MET  28  -0.745  -6.027  -6.027
  216   1HB   MET  28           HB1      MET  28  -2.512  -4.354  -4.354
  217   2HB   MET  28           HB2      MET  28  -2.535  -3.888  -3.888
  218   1HG   MET  28           HG1      MET  28  -0.664  -2.634  -2.634
  219   2HG   MET  28           HG2      MET  28   0.169  -3.907  -3.907
  220   1HE   MET  28           HE2      MET  28  -0.144  -4.574  -4.574
  221   2HE   MET  28           HE3      MET  28  -1.646  -4.210  -4.210
  222   3HE   MET  28           HE1      MET  28  -0.133  -3.453  -3.453
  223    H    GLU  29           HN       GLU  29  -2.125  -6.286  -6.286
  224    HA   GLU  29           HA       GLU  29  -0.084  -4.870  -4.870
  225   1HB   GLU  29           HB1      GLU  29  -2.217  -5.392  -5.392
  226   2HB   GLU  29           HB2      GLU  29  -1.936  -7.120  -7.120
  227   1HG   GLU  29           HG1      GLU  29   0.356  -6.301  -6.301
  228   2HG   GLU  29           HG2      GLU  29  -0.885  -5.294  -5.294
  229    H    ALA  30           HN       ALA  30  -0.542  -8.346  -8.346
  230    HA   ALA  30           HA       ALA  30   1.831  -9.257  -9.257
  231   1HB   ALA  30           HB1      ALA  30  -0.232 -10.365 -10.365
  232   2HB   ALA  30           HB2      ALA  30   1.272 -10.751 -10.751
  233   3HB   ALA  30           HB3      ALA  30   1.047 -11.237 -11.237
  234    H    LYS  31           HN       LYS  31   1.262  -8.215  -8.215
  235    HA   LYS  31           HA       LYS  31   3.904  -8.685  -8.685
  236   1HB   LYS  31           HB1      LYS  31   1.594  -7.013  -7.013
  237   2HB   LYS  31           HB2      LYS  31   3.175  -6.619  -6.619
  238   1HG   LYS  31           HG1      LYS  31   3.393  -9.126  -9.126
  239   2HG   LYS  31           HG2      LYS  31   1.667  -9.234  -9.234
  240   1HD   LYS  31           HD1      LYS  31   1.114  -8.265  -8.265
  241   2HD   LYS  31           HD2      LYS  31   2.337  -7.008  -7.008
  242   1HE   LYS  31           HE1      LYS  31   3.660  -8.071  -8.071
  243   2HE   LYS  31           HE2      LYS  31   3.669  -9.503  -9.503
  244   1HZ   LYS  31           HZ2      LYS  31   1.372  -9.932  -9.932
  245   2HZ   LYS  31           HZ3      LYS  31   1.852  -8.837  -8.837
  246   3HZ   LYS  31           HZ1      LYS  31   2.744 -10.256 -10.256
  247    H    LEU  32           HN       LEU  32   2.635  -6.245  -6.245
  248    HA   LEU  32           HA       LEU  32   4.216  -4.014  -4.014
  249   1HB   LEU  32           HB1      LEU  32   2.668  -4.068  -4.068
  250   2HB   LEU  32           HB2      LEU  32   3.532  -5.406  -5.406
  251    HG   LEU  32           HG       LEU  32   5.547  -3.886  -3.886
  252   1HD1  LEU  32          HD13      LEU  32   4.082  -2.298  -2.298
  253   2HD1  LEU  32          HD11      LEU  32   3.907  -1.465  -1.465
  254   3HD1  LEU  32          HD12      LEU  32   5.514  -1.785  -1.785
  255   1HD2  LEU  32          HD23      LEU  32   4.007  -4.278  -4.278
  256   2HD2  LEU  32          HD21      LEU  32   4.672  -2.645  -2.645
  257   3HD2  LEU  32          HD22      LEU  32   3.021  -2.917  -2.917
  258    H    LYS  33           HN       LYS  33   5.270  -6.548  -6.548
  259    HA   LYS  33           HA       LYS  33   7.978  -5.715  -5.715
  260   1HB   LYS  33           HB1      LYS  33   6.524  -8.229  -8.229
  261   2HB   LYS  33           HB2      LYS  33   8.285  -8.289  -8.289
  262   1HG   LYS  33           HG1      LYS  33   8.410  -6.360  -6.360
  263   2HG   LYS  33           HG2      LYS  33   6.651  -6.369  -6.369
  264   1HD   LYS  33           HD1      LYS  33   6.884  -8.826  -8.826
  265   2HD   LYS  33           HD2      LYS  33   8.604  -8.487  -8.487
  266   1HE   LYS  33           HE1      LYS  33   8.263  -7.184  -7.184
  267   2HE   LYS  33           HE2      LYS  33   6.746  -6.529  -6.529
  268   1HZ   LYS  33           HZ1      LYS  33   5.702  -8.681  -8.681
  269   2HZ   LYS  33           HZ2      LYS  33   7.158  -9.233  -9.233
  270   3HZ   LYS  33           HZ3      LYS  33   6.316  -7.945  -7.945
  271    H    ALA  34           HN       ALA  34   6.250  -7.709  -7.709
  272    HA   ALA  34           HA       ALA  34   8.368  -9.106  -9.106
  273   1HB   ALA  34           HB1      ALA  34   5.876  -9.229  -9.229
  274   2HB   ALA  34           HB2      ALA  34   6.125  -7.796  -7.796
  275   3HB   ALA  34           HB3      ALA  34   6.974  -9.295  -9.295
  276    H    GLU  35           HN       GLU  35   7.437  -5.712  -5.712
  277    HA   GLU  35           HA       GLU  35   9.290  -5.215  -5.215
  278   1HB   GLU  35           HB1      GLU  35   7.831  -3.327  -3.327
  279   2HB   GLU  35           HB2      GLU  35   8.771  -2.815  -2.815
  280   1HG   GLU  35           HG1      GLU  35   7.138  -3.431  -3.431
  281   2HG   GLU  35           HG2      GLU  35   6.826  -4.940  -4.940
  282    H    ILE  36           HN       ILE  36   9.314  -4.675  -4.675
  283    HA   ILE  36           HA       ILE  36  11.695  -3.218  -3.218
  284    HB   ILE  36           HB       ILE  36  10.877  -5.490  -5.490
  285   1HG1  ILE  36          HG11      ILE  36   8.907  -4.163  -4.163
  286   2HG1  ILE  36          HG12      ILE  36   9.694  -3.543  -3.543
  287   1HG2  ILE  36          HG22      ILE  36  12.943  -3.459  -3.459
  288   2HG2  ILE  36          HG23      ILE  36  11.826  -3.194  -3.194
  289   3HG2  ILE  36          HG21      ILE  36  12.643  -4.747  -4.747
  290   1HD1  ILE  36          HD12      ILE  36  10.765  -1.768  -1.768
  291   2HD1  ILE  36          HD13      ILE  36   9.791  -2.337  -2.337
  292   3HD1  ILE  36          HD11      ILE  36   9.006  -1.654  -1.654
  293    H    GLN  37           HN       GLN  37  11.287  -6.725  -6.725
  294    HA   GLN  37           HA       GLN  37  13.961  -7.529  -7.529
  295   1HB   GLN  37           HB1      GLN  37  11.666  -8.811  -8.811
  296   2HB   GLN  37           HB2      GLN  37  12.545  -8.821  -8.821
  297   1HG   GLN  37           HG1      GLN  37  13.474  -9.912  -9.912
  298   2HG   GLN  37           HG2      GLN  37  13.178 -10.819 -10.819
  299   1HE2  GLN  37          HE21      GLN  37  15.561  -9.044  -9.044
  300   2HE2  GLN  37          HE22      GLN  37  16.770  -9.053  -9.053
  301    H    LYS  38           HN       LYS  38  12.366  -6.371  -6.371
  302    HA   LYS  38           HA       LYS  38  14.700  -6.583  -6.583
  303   1HB   LYS  38           HB1      LYS  38  11.997  -5.506  -5.506
  304   2HB   LYS  38           HB2      LYS  38  13.185  -4.508  -4.508
  305   1HG   LYS  38           HG1      LYS  38  12.619  -6.101  -6.101
  306   2HG   LYS  38           HG2      LYS  38  14.076  -6.793  -6.793
  307   1HD   LYS  38           HD1      LYS  38  12.739  -8.251  -8.251
  308   2HD   LYS  38           HD2      LYS  38  11.251  -7.483  -7.483
  309   1HE   LYS  38           HE1      LYS  38  11.192  -8.761  -8.761
  310   2HE   LYS  38           HE2      LYS  38  12.881  -8.413  -8.413
  311   1HZ   LYS  38           HZ1      LYS  38  12.406 -10.189 -10.189
  312   2HZ   LYS  38           HZ2      LYS  38  12.006 -10.813 -10.813
  313   3HZ   LYS  38           HZ3      LYS  38  13.585 -10.268 -10.268
  314   1HN   NH2  39          1HN       NH2  39  14.190  -2.703  -2.703
  315   2HN   NH2  39          2HN       NH2  39  13.739  -3.744  -3.744

  Start of MODEL    3
    1   1H2   SIN   0          1H2       SIN   0 -17.594   0.516   0.516
    2   2H2   SIN   0          2H2       SIN   0 -16.593   0.516   0.516
    3   1H3   SIN   0          1H3       SIN   0 -15.340   0.986   0.986
    4   2H3   SIN   0          2H3       SIN   0 -16.139   2.313   2.313
    5    H    ASP   1           HN       ASP   1 -13.493   2.768   2.768
    6    HA   ASP   1           HA       ASP   1 -11.969   2.248   2.248
    7   1HB   ASP   1           HB1      ASP   1 -14.208   2.917   2.917
    8   2HB   ASP   1           HB2      ASP   1 -13.849   4.553   4.553
    9    H    TRP   2           HN       TRP   2 -13.336   5.359   5.359
   10    HA   TRP   2           HA       TRP   2 -10.915   6.737   6.737
   11   1HB   TRP   2           HB1      TRP   2 -11.929   8.342   8.342
   12   2HB   TRP   2           HB2      TRP   2 -13.207   7.720   7.720
   13    HD1  TRP   2           HD1      TRP   2 -14.797   5.838   5.838
   14    HE1  TRP   2           HE1      TRP   2 -15.589   5.469   5.469
   15    HE3  TRP   2           HE3      TRP   2 -11.252   8.523   8.523
   16    HZ2  TRP   2           HZ2      TRP   2 -14.780   6.234   6.234
   17    HZ3  TRP   2           HZ3      TRP   2 -11.273   8.701   8.701
   18    HH2  TRP   2           HH2      TRP   2 -13.032   7.554   7.554
   19    H    LEU   3           HN       LEU   3 -12.089   4.327   4.327
   20    HA   LEU   3           HA       LEU   3 -10.543   4.919   4.919
   21   1HB   LEU   3           HB1      LEU   3 -11.986   2.655   2.655
   22   2HB   LEU   3           HB2      LEU   3 -10.459   2.111   2.111
   23    HG   LEU   3           HG       LEU   3 -12.247   2.159   2.159
   24   1HD1  LEU   3          HD13      LEU   3  -9.692   3.272   3.272
   25   2HD1  LEU   3          HD11      LEU   3 -10.746   4.429   4.429
   26   3HD1  LEU   3          HD12      LEU   3 -10.713   2.747   2.747
   27   1HD2  LEU   3          HD21      LEU   3 -12.890   4.598   4.598
   28   2HD2  LEU   3          HD22      LEU   3 -13.751   3.831   3.831
   29   3HD2  LEU   3          HD23      LEU   3 -12.467   4.994   4.994
   30    H    LYS   4           HN       LYS   4  -9.677   3.045   3.045
   31    HA   LYS   4           HA       LYS   4  -7.165   2.102   2.102
   32   1HB   LYS   4           HB1      LYS   4  -8.388   3.229   3.229
   33   2HB   LYS   4           HB2      LYS   4  -6.631   3.071   3.071
   34   1HG   LYS   4           HG1      LYS   4  -7.047   0.670   0.670
   35   2HG   LYS   4           HG2      LYS   4  -8.715   0.914   0.914
   36   1HD   LYS   4           HD1      LYS   4  -8.053   0.306   0.306
   37   2HD   LYS   4           HD2      LYS   4  -7.151   1.819   1.819
   38   1HE   LYS   4           HE1      LYS   4  -5.213   0.673   0.673
   39   2HE   LYS   4           HE2      LYS   4  -6.119  -0.840  -0.840
   40   1HZ   LYS   4           HZ2      LYS   4  -5.818   0.686   0.686
   41   2HZ   LYS   4           HZ3      LYS   4  -4.495  -0.218  -0.218
   42   3HZ   LYS   4           HZ1      LYS   4  -5.968  -0.990  -0.990
   43    H    ALA   5           HN       ALA   5  -8.063   5.455   5.455
   44    HA   ALA   5           HA       ALA   5  -5.365   6.496   6.496
   45   1HB   ALA   5           HB3      ALA   5  -7.834   7.531   7.531
   46   2HB   ALA   5           HB1      ALA   5  -7.521   8.281   8.281
   47   3HB   ALA   5           HB2      ALA   5  -6.379   8.500   8.500
   48    H    ARG   6           HN       ARG   6  -7.967   6.292   6.292
   49    HA   ARG   6           HA       ARG   6  -6.632   7.484   7.484
   50   1HB   ARG   6           HB1      ARG   6  -8.578   5.161   5.161
   51   2HB   ARG   6           HB2      ARG   6  -8.036   5.919   5.919
   52   1HG   ARG   6           HG1      ARG   6  -9.039   7.766   7.766
   53   2HG   ARG   6           HG2      ARG   6 -10.243   6.717   6.717
   54   1HD   ARG   6           HD1      ARG   6 -10.296   8.374   8.374
   55   2HD   ARG   6           HD2      ARG   6  -8.884   7.526   7.526
   56    HE   ARG   6           HE       ARG   6  -8.041   9.419   9.419
   57   1HH1  ARG   6          HH21      ARG   6  -7.874   8.759   8.759
   58   2HH1  ARG   6          HH22      ARG   6  -7.798  10.403  10.403
   59   1HH2  ARG   6          HH11      ARG   6  -8.578  11.738  11.738
   60   2HH2  ARG   6          HH12      ARG   6  -8.202  12.088  12.088
   61    H    VAL   7           HN       VAL   7  -6.562   4.091   4.091
   62    HA   VAL   7           HA       VAL   7  -4.751   3.216   3.216
   63    HB   VAL   7           HB       VAL   7  -5.040   1.867   1.867
   64   1HG1  VAL   7          HG13      VAL   7  -3.607   0.993   0.993
   65   2HG1  VAL   7          HG11      VAL   7  -5.118   0.727   0.727
   66   3HG1  VAL   7          HG12      VAL   7  -4.806  -0.132  -0.132
   67   1HG2  VAL   7          HG21      VAL   7  -7.178   2.502   2.502
   68   2HG2  VAL   7          HG22      VAL   7  -7.301   2.116   2.116
   69   3HG2  VAL   7          HG23      VAL   7  -7.113   0.822   0.822
   70    H    GLU   8           HN       GLU   8  -4.364   4.591   4.591
   71    HA   GLU   8           HA       GLU   8  -1.589   3.866   3.866
   72   1HB   GLU   8           HB1      GLU   8  -3.540   5.128   5.128
   73   2HB   GLU   8           HB2      GLU   8  -2.319   6.372   6.372
   74   1HG   GLU   8           HG1      GLU   8  -1.341   5.338   5.338
   75   2HG   GLU   8           HG2      GLU   8  -0.698   4.289   4.289
   76    H    GLN   9           HN       GLN   9  -3.262   6.457   6.457
   77    HA   GLN   9           HA       GLN   9  -0.989   8.193   8.193
   78   1HB   GLN   9           HB1      GLN   9  -3.739   8.075   8.075
   79   2HB   GLN   9           HB2      GLN   9  -2.631   8.627   8.627
   80   1HG   GLN   9           HG1      GLN   9  -1.725  10.006  10.006
   81   2HG   GLN   9           HG2      GLN   9  -3.465   9.961   9.961
   82   1HE2  GLN   9          HE22      GLN   9  -3.860  11.472  11.472
   83   2HE2  GLN   9          HE21      GLN   9  -4.211   9.929   9.929
   84    H    GLU  10           HN       GLU  10  -2.515   5.854   5.854
   85    HA   GLU  10           HA       GLU  10  -0.591   6.101   6.101
   86   1HB   GLU  10           HB1      GLU  10  -2.165   3.627   3.627
   87   2HB   GLU  10           HB2      GLU  10  -1.428   3.947   3.947
   88   1HG   GLU  10           HG1      GLU  10  -3.665   5.524   5.524
   89   2HG   GLU  10           HG2      GLU  10  -3.799   4.493   4.493
   90    H    LEU  11           HN       LEU  11  -0.732   3.825   3.825
   91    HA   LEU  11           HA       LEU  11   1.640   2.395   2.395
   92   1HB   LEU  11           HB1      LEU  11   0.417   3.016   3.016
   93   2HB   LEU  11           HB2      LEU  11   1.683   1.820   1.820
   94    HG   LEU  11           HG       LEU  11  -0.961   1.761   1.761
   95   1HD1  LEU  11          HD11      LEU  11  -0.218   0.789   0.789
   96   2HD1  LEU  11          HD12      LEU  11  -1.245  -0.246  -0.246
   97   3HD1  LEU  11          HD13      LEU  11  -1.766   1.391   1.391
   98   1HD2  LEU  11          HD21      LEU  11   1.077   0.521   0.521
   99   2HD2  LEU  11          HD22      LEU  11  -0.322  -0.496  -0.496
  100   3HD2  LEU  11          HD23      LEU  11   1.028  -0.445  -0.445
  101    H    GLN  12           HN       GLN  12   1.148   5.566   5.566
  102    HA   GLN  12           HA       GLN  12   3.707   5.893   5.893
  103   1HB   GLN  12           HB1      GLN  12   1.406   7.476   7.476
  104   2HB   GLN  12           HB2      GLN  12   2.746   8.361   8.361
  105   1HG   GLN  12           HG1      GLN  12   3.553   7.218   7.218
  106   2HG   GLN  12           HG2      GLN  12   2.106   8.205   8.205
  107   1HE2  GLN  12          HE22      GLN  12   5.515  10.032  10.032
  108   2HE2  GLN  12          HE21      GLN  12   5.274   8.381   8.381
  109    H    ALA  13           HN       ALA  13   2.568   6.463   6.463
  110    HA   ALA  13           HA       ALA  13   5.038   7.644   7.644
  111   1HB   ALA  13           HB3      ALA  13   2.730   6.325   6.325
  112   2HB   ALA  13           HB1      ALA  13   4.095   7.063   7.063
  113   3HB   ALA  13           HB2      ALA  13   3.042   8.052   8.052
  114    H    LEU  14           HN       LEU  14   4.006   4.381   4.381
  115    HA   LEU  14           HA       LEU  14   5.916   3.127   3.127
  116   1HB   LEU  14           HB1      LEU  14   3.723   2.179   2.179
  117   2HB   LEU  14           HB2      LEU  14   4.880   1.710   1.710
  118    HG   LEU  14           HG       LEU  14   5.118   1.024   1.024
  119   1HD1  LEU  14          HD11      LEU  14   4.144  -0.519  -0.519
  120   2HD1  LEU  14          HD12      LEU  14   4.759  -1.337  -1.337
  121   3HD1  LEU  14          HD13      LEU  14   3.340  -0.297  -0.297
  122   1HD2  LEU  14          HD22      LEU  14   6.895   0.780   0.780
  123   2HD2  LEU  14          HD23      LEU  14   7.304   0.842   0.842
  124   3HD2  LEU  14          HD21      LEU  14   6.760  -0.672  -0.672
  125    H    GLU  15           HN       GLU  15   5.782   3.246   3.246
  126    HA   GLU  15           HA       GLU  15   8.602   2.517   2.517
  127   1HB   GLU  15           HB1      GLU  15   8.287   2.615   2.615
  128   2HB   GLU  15           HB2      GLU  15   6.803   1.933   1.933
  129   1HG   GLU  15           HG1      GLU  15   5.818   4.248   4.248
  130   2HG   GLU  15           HG2      GLU  15   7.267   4.806   4.806
  131    H    ALA  16           HN       ALA  16   7.046   5.379   5.379
  132    HA   ALA  16           HA       ALA  16   8.659   7.245   7.245
  133   1HB   ALA  16           HB3      ALA  16   6.756   7.398   7.398
  134   2HB   ALA  16           HB1      ALA  16   7.900   8.728   8.728
  135   3HB   ALA  16           HB2      ALA  16   6.792   8.331   8.331
  136    H    ARG  17           HN       ARG  17   8.848   5.970   5.970
  137    HA   ARG  17           HA       ARG  17  11.419   7.351   7.351
  138   1HB   ARG  17           HB1      ARG  17   9.370   6.337   6.337
  139   2HB   ARG  17           HB2      ARG  17  10.833   5.421   5.421
  140   1HG   ARG  17           HG1      ARG  17  12.010   7.318   7.318
  141   2HG   ARG  17           HG2      ARG  17  11.009   8.404   8.404
  142   1HD   ARG  17           HD1      ARG  17   9.504   6.942   6.942
  143   2HD   ARG  17           HD2      ARG  17  10.750   7.999   7.999
  144    HE   ARG  17           HE       ARG  17   9.638   9.789   9.789
  145   1HH1  ARG  17          HH11      ARG  17   7.349   8.783   8.783
  146   2HH1  ARG  17          HH12      ARG  17   6.115   8.827   8.827
  147   1HH2  ARG  17          HH21      ARG  17   8.347   9.131   9.131
  148   2HH2  ARG  17          HH22      ARG  17   6.680   9.025   9.025
  149    H    GLY  18           HN       GLY  18  11.471   5.495   5.495
  150   1HA   GLY  18           HA1      GLY  18  12.597   3.566   3.566
  151   2HA   GLY  18           HA2      GLY  18  13.823   4.078   4.078
  152    H    THR  19           HN       THR  19  13.922   3.021   3.021
  153    HA   THR  19           HA       THR  19  13.578   1.275   1.275
  154    HB   THR  19           HB       THR  19  10.830   0.957   0.957
  155    HG1  THR  19           HG1      THR  19  10.433   2.893   2.893
  156   1HG2  THR  19          HG21      THR  19  12.239   0.049   0.049
  157   2HG2  THR  19          HG22      THR  19  10.647   0.740   0.740
  158   3HG2  THR  19          HG23      THR  19  10.815  -0.623  -0.623
  159    H    ASP  20           HN       ASP  20  14.551   0.832   0.832
  160    HA   ASP  20           HA       ASP  20  14.970  -0.957  -0.957
  161   1HB   ASP  20           HB1      ASP  20  14.582  -2.582  -2.582
  162   2HB   ASP  20           HB2      ASP  20  15.541  -3.031  -3.031
  163    H    SER  21           HN       SER  21  12.350  -0.159  -0.159
  164    HA   SER  21           HA       SER  21  10.794  -2.683  -2.683
  165   1HB   SER  21           HB1      SER  21   9.616   0.058   0.058
  166   2HB   SER  21           HB2      SER  21   8.824  -1.402  -1.402
  167    HG   SER  21           HG       SER  21   9.216  -0.503  -0.503
  168    H    ASN  22           HN       ASN  22  12.771  -1.288  -1.288
  169    HA   ASN  22           HA       ASN  22  10.995  -1.041  -1.041
  170   1HB   ASN  22           HB1      ASN  22  13.432   0.104   0.104
  171   2HB   ASN  22           HB2      ASN  22  13.870  -1.083  -1.083
  172   1HD2  ASN  22          HD22      ASN  22  11.708   2.220   2.220
  173   2HD2  ASN  22          HD21      ASN  22  12.061   1.894   1.894
  174    H    ALA  23           HN       ALA  23  11.569  -3.637  -3.637
  175    HA   ALA  23           HA       ALA  23  12.469  -5.216  -5.216
  176   1HB   ALA  23           HB3      ALA  23  12.832  -5.720  -5.720
  177   2HB   ALA  23           HB1      ALA  23  13.057  -6.984  -6.984
  178   3HB   ALA  23           HB2      ALA  23  14.086  -5.551  -5.551
  179    H    GLU  24           HN       GLU  24  10.262  -5.081  -5.081
  180    HA   GLU  24           HA       GLU  24   8.724  -7.363  -7.363
  181   1HB   GLU  24           HB1      GLU  24   8.237  -5.472  -5.472
  182   2HB   GLU  24           HB2      GLU  24   7.290  -6.922  -6.922
  183   1HG   GLU  24           HG1      GLU  24  10.279  -6.882  -6.882
  184   2HG   GLU  24           HG2      GLU  24   9.054  -7.324  -7.324
  185    H    LEU  25           HN       LEU  25   8.989  -4.532  -4.532
  186    HA   LEU  25           HA       LEU  25   6.525  -3.187  -3.187
  187   1HB   LEU  25           HB1      LEU  25   8.407  -3.662  -3.662
  188   2HB   LEU  25           HB2      LEU  25   7.085  -2.495  -2.495
  189    HG   LEU  25           HG       LEU  25   9.117  -2.438  -2.438
  190   1HD1  LEU  25          HD13      LEU  25   9.777  -2.155  -2.155
  191   2HD1  LEU  25          HD11      LEU  25   9.718  -0.523  -0.523
  192   3HD1  LEU  25          HD12      LEU  25  10.777  -1.732  -1.732
  193   1HD2  LEU  25          HD22      LEU  25   6.815  -1.007  -1.007
  194   2HD2  LEU  25          HD23      LEU  25   8.108  -0.468  -0.468
  195   3HD2  LEU  25          HD21      LEU  25   8.089   0.046   0.046
  196    H    ARG  26           HN       ARG  26   7.345  -6.264  -6.264
  197    HA   ARG  26           HA       ARG  26   4.933  -6.359  -6.359
  198   1HB   ARG  26           HB1      ARG  26   7.317  -7.660  -7.660
  199   2HB   ARG  26           HB2      ARG  26   6.331  -8.886  -8.886
  200   1HG   ARG  26           HG1      ARG  26   6.141  -9.198  -9.198
  201   2HG   ARG  26           HG2      ARG  26   4.605  -8.569  -8.569
  202   1HD   ARG  26           HD1      ARG  26   5.388  -7.415  -7.415
  203   2HD   ARG  26           HD2      ARG  26   5.212  -6.314  -6.314
  204    HE   ARG  26           HE       ARG  26   7.906  -7.450  -7.450
  205   1HH1  ARG  26          HH11      ARG  26   7.099  -4.971  -4.971
  206   2HH1  ARG  26          HH12      ARG  26   7.683  -3.706  -3.706
  207   1HH2  ARG  26          HH21      ARG  26   8.055  -5.763  -5.763
  208   2HH2  ARG  26          HH22      ARG  26   8.223  -4.154  -4.154
  209    H    ALA  27           HN       ALA  27   5.947  -7.522  -7.522
  210    HA   ALA  27           HA       ALA  27   3.612  -9.192  -9.192
  211   1HB   ALA  27           HB1      ALA  27   6.055  -8.725  -8.725
  212   2HB   ALA  27           HB2      ALA  27   4.755  -8.355  -8.355
  213   3HB   ALA  27           HB3      ALA  27   4.833  -9.942  -9.942
  214    H    MET  28           HN       MET  28   4.148  -5.838  -5.838
  215    HA   MET  28           HA       MET  28   2.283  -5.146  -5.146
  216   1HB   MET  28           HB1      MET  28   3.988  -3.555  -3.555
  217   2HB   MET  28           HB2      MET  28   3.257  -3.534  -3.534
  218   1HG   MET  28           HG1      MET  28   1.087  -2.950  -2.950
  219   2HG   MET  28           HG2      MET  28   2.364  -2.229  -2.229
  220   1HE   MET  28           HE3      MET  28   0.351  -2.465  -2.465
  221   2HE   MET  28           HE1      MET  28  -0.194  -0.896  -0.896
  222   3HE   MET  28           HE2      MET  28   0.592  -1.008  -1.008
  223    H    GLU  29           HN       GLU  29   2.004  -5.552  -5.552
  224    HA   GLU  29           HA       GLU  29  -0.654  -4.595  -4.595
  225   1HB   GLU  29           HB1      GLU  29   0.738  -6.826  -6.826
  226   2HB   GLU  29           HB2      GLU  29  -0.728  -5.998  -5.998
  227   1HG   GLU  29           HG1      GLU  29   1.288  -4.052  -4.052
  228   2HG   GLU  29           HG2      GLU  29   1.955  -5.215  -5.215
  229    H    ALA  30           HN       ALA  30   0.578  -7.719  -7.719
  230    HA   ALA  30           HA       ALA  30  -1.842  -9.192  -9.192
  231   1HB   ALA  30           HB3      ALA  30   0.578  -9.961  -9.961
  232   2HB   ALA  30           HB1      ALA  30   0.147  -9.535  -9.535
  233   3HB   ALA  30           HB2      ALA  30  -0.771 -10.772 -10.772
  234    H    LYS  31           HN       LYS  31  -0.422  -7.746  -7.746
  235    HA   LYS  31           HA       LYS  31  -2.772  -7.990  -7.990
  236   1HB   LYS  31           HB1      LYS  31  -0.381  -6.159  -6.159
  237   2HB   LYS  31           HB2      LYS  31  -1.699  -6.059  -6.059
  238   1HG   LYS  31           HG1      LYS  31  -1.400  -8.497  -8.497
  239   2HG   LYS  31           HG2      LYS  31  -0.008  -8.503  -8.503
  240   1HD   LYS  31           HD1      LYS  31   1.276  -7.832  -7.832
  241   2HD   LYS  31           HD2      LYS  31   0.363  -6.323  -6.323
  242   1HE   LYS  31           HE1      LYS  31   0.085  -7.191  -7.191
  243   2HE   LYS  31           HE2      LYS  31  -1.391  -7.691  -7.691
  244   1HZ   LYS  31           HZ1      LYS  31  -0.192  -9.812  -9.812
  245   2HZ   LYS  31           HZ2      LYS  31   1.018  -9.321  -9.321
  246   3HZ   LYS  31           HZ3      LYS  31  -0.569  -9.581  -9.581
  247    H    LEU  32           HN       LEU  32  -1.880  -5.630  -5.630
  248    HA   LEU  32           HA       LEU  32  -3.481  -3.439  -3.439
  249   1HB   LEU  32           HB1      LEU  32  -1.988  -3.422  -3.422
  250   2HB   LEU  32           HB2      LEU  32  -3.041  -4.575  -4.575
  251    HG   LEU  32           HG       LEU  32  -4.906  -2.792  -2.792
  252   1HD1  LEU  32          HD12      LEU  32  -2.470  -1.469  -1.469
  253   2HD1  LEU  32          HD13      LEU  32  -3.263  -0.556  -0.556
  254   3HD1  LEU  32          HD11      LEU  32  -4.147  -0.956  -0.956
  255   1HD2  LEU  32          HD22      LEU  32  -2.847  -2.985  -2.985
  256   2HD2  LEU  32          HD23      LEU  32  -4.606  -2.995  -2.995
  257   3HD2  LEU  32          HD21      LEU  32  -3.743  -1.466  -1.466
  258    H    LYS  33           HN       LYS  33  -4.470  -6.231  -6.231
  259    HA   LYS  33           HA       LYS  33  -7.187  -5.511  -5.511
  260   1HB   LYS  33           HB1      LYS  33  -5.714  -7.581  -7.581
  261   2HB   LYS  33           HB2      LYS  33  -6.575  -8.397  -8.397
  262   1HG   LYS  33           HG1      LYS  33  -8.554  -6.883  -6.883
  263   2HG   LYS  33           HG2      LYS  33  -7.573  -7.449  -7.449
  264   1HD   LYS  33           HD1      LYS  33  -7.705  -9.772  -9.772
  265   2HD   LYS  33           HD2      LYS  33  -8.961  -9.104  -9.104
  266   1HE   LYS  33           HE1      LYS  33 -10.394  -8.654  -8.654
  267   2HE   LYS  33           HE2      LYS  33  -9.089  -8.874  -8.874
  268   1HZ   LYS  33           HZ2      LYS  33 -10.069 -11.037 -11.037
  269   2HZ   LYS  33           HZ3      LYS  33 -10.662 -10.782 -10.782
  270   3HZ   LYS  33           HZ1      LYS  33  -9.031 -11.182 -11.182
  271    H    ALA  34           HN       ALA  34  -5.486  -7.038  -7.038
  272    HA   ALA  34           HA       ALA  34  -7.830  -7.856  -7.856
  273   1HB   ALA  34           HB1      ALA  34  -5.327  -8.511  -8.511
  274   2HB   ALA  34           HB2      ALA  34  -5.252  -7.044  -7.044
  275   3HB   ALA  34           HB3      ALA  34  -6.363  -8.341  -8.341
  276    H    GLU  35           HN       GLU  35  -6.011  -4.840  -4.840
  277    HA   GLU  35           HA       GLU  35  -7.234  -3.563  -3.563
  278   1HB   GLU  35           HB1      GLU  35  -5.644  -2.699  -2.699
  279   2HB   GLU  35           HB2      GLU  35  -6.640  -1.463  -1.463
  280   1HG   GLU  35           HG1      GLU  35  -5.589  -1.880  -1.880
  281   2HG   GLU  35           HG2      GLU  35  -4.706  -3.260  -3.260
  282    H    ILE  36           HN       ILE  36  -7.959  -3.369  -3.369
  283    HA   ILE  36           HA       ILE  36 -10.210  -1.678  -1.678
  284    HB   ILE  36           HB       ILE  36  -9.618  -3.920  -3.920
  285   1HG1  ILE  36          HG11      ILE  36  -9.513  -1.314  -1.314
  286   2HG1  ILE  36          HG12      ILE  36  -8.606  -1.254  -1.254
  287   1HG2  ILE  36          HG23      ILE  36 -12.057  -3.354  -3.354
  288   2HG2  ILE  36          HG21      ILE  36 -11.650  -1.681  -1.681
  289   3HG2  ILE  36          HG22      ILE  36 -11.341  -2.956  -2.956
  290   1HD1  ILE  36          HD13      ILE  36  -8.210  -3.512  -3.512
  291   2HD1  ILE  36          HD11      ILE  36  -7.346  -1.986  -1.986
  292   3HD1  ILE  36          HD12      ILE  36  -7.120  -2.953  -2.953
  293    H    GLN  37           HN       GLN  37  -9.929  -5.166  -5.166
  294    HA   GLN  37           HA       GLN  37 -12.636  -5.907  -5.907
  295   1HB   GLN  37           HB1      GLN  37 -10.255  -6.865  -6.865
  296   2HB   GLN  37           HB2      GLN  37 -11.855  -7.548  -7.548
  297   1HG   GLN  37           HG1      GLN  37 -11.970  -7.902  -7.902
  298   2HG   GLN  37           HG2      GLN  37 -10.233  -7.591  -7.591
  299   1HE2  GLN  37          HE22      GLN  37 -10.025 -10.533 -10.533
  300   2HE2  GLN  37          HE21      GLN  37  -9.897  -8.862  -8.862
  301    H    LYS  38           HN       LYS  38 -10.723  -4.867  -4.867
  302    HA   LYS  38           HA       LYS  38 -12.714  -4.800  -4.800
  303   1HB   LYS  38           HB1      LYS  38 -10.168  -3.903  -3.903
  304   2HB   LYS  38           HB2      LYS  38 -11.018  -2.359  -2.359
  305   1HG   LYS  38           HG1      LYS  38 -12.312  -2.990  -2.990
  306   2HG   LYS  38           HG2      LYS  38 -11.470  -4.539  -4.539
  307   1HD   LYS  38           HD1      LYS  38  -9.351  -3.438  -3.438
  308   2HD   LYS  38           HD2      LYS  38 -10.070  -1.852  -1.852
  309   1HE   LYS  38           HE1      LYS  38 -11.696  -2.895  -2.895
  310   2HE   LYS  38           HE2      LYS  38 -10.113  -3.534  -3.534
  311   1HZ   LYS  38           HZ2      LYS  38  -9.509  -1.007  -1.007
  312   2HZ   LYS  38           HZ3      LYS  38 -11.075  -0.804  -0.804
  313   3HZ   LYS  38           HZ1      LYS  38  -9.870  -1.533  -1.533
  314   1HN   NH2  39          1HN       NH2  39 -12.432  -1.266  -1.266
  315   2HN   NH2  39          2HN       NH2  39 -13.131  -2.156  -2.156

  Start of MODEL    4
    1   1H2   SIN   0          1H2       SIN   0  17.205   1.315   1.315
    2   2H2   SIN   0           HY2      ASP   1  15.846   0.801   0.801
    3   1H3   SIN   0          2H1       SIN   0  14.601   1.807   1.807
    4   2H3   SIN   0          2H3       SIN   0  15.969   2.902   2.902
    5    H    ASP   1          1H3       SIN   0  13.103   1.572   1.572
    6    HA   ASP   1           HA       ASP   1  12.076   2.185   2.185
    7   1HB   ASP   1           HB1      ASP   1  14.635   3.060   3.060
    8   2HB   ASP   1           HB2      ASP   1  13.729   4.573   4.573
    9    H    TRP   2           HN       TRP   2  13.349   5.095   5.095
   10    HA   TRP   2           HA       TRP   2  11.196   6.786   6.786
   11   1HB   TRP   2           HB1      TRP   2  11.875   7.979   7.979
   12   2HB   TRP   2           HB2      TRP   2  13.333   7.350   7.350
   13    HD1  TRP   2           HD1      TRP   2  14.269   5.001   5.001
   14    HE1  TRP   2           HE1      TRP   2  14.270   4.112   4.112
   15    HE3  TRP   2           HE3      TRP   2  10.656   7.975   7.975
   16    HZ2  TRP   2           HZ2      TRP   2  12.887   4.611   4.611
   17    HZ3  TRP   2           HZ3      TRP   2  10.009   7.756   7.756
   18    HH2  TRP   2           HH2      TRP   2  11.122   6.077   6.077
   19    H    LEU   3           HN       LEU   3  11.451   4.087   4.087
   20    HA   LEU   3           HA       LEU   3   9.272   4.639   4.639
   21   1HB   LEU   3           HB1      LEU   3  10.605   2.122   2.122
   22   2HB   LEU   3           HB2      LEU   3   9.110   2.004   2.004
   23    HG   LEU   3           HG       LEU   3  10.643   3.917   3.917
   24   1HD1  LEU   3          HD12      LEU   3  12.500   2.837   2.837
   25   2HD1  LEU   3          HD13      LEU   3  12.409   1.517   1.517
   26   3HD1  LEU   3          HD11      LEU   3  12.833   3.142   3.142
   27   1HD2  LEU   3          HD22      LEU   3  10.181   0.959   0.959
   28   2HD2  LEU   3          HD23      LEU   3   9.215   2.301   2.301
   29   3HD2  LEU   3          HD21      LEU   3  10.855   2.052   2.052
   30    H    LYS   4           HN       LYS   4   9.290   2.965   2.965
   31    HA   LYS   4           HA       LYS   4   6.586   2.206   2.206
   32   1HB   LYS   4           HB1      LYS   4   8.719   2.502   2.502
   33   2HB   LYS   4           HB2      LYS   4   7.289   3.274   3.274
   34   1HG   LYS   4           HG1      LYS   4   5.987   1.197   1.197
   35   2HG   LYS   4           HG2      LYS   4   7.494   0.436   0.436
   36   1HD   LYS   4           HD1      LYS   4   8.437   0.872   0.872
   37   2HD   LYS   4           HD2      LYS   4   6.874   1.522   1.522
   38   1HE   LYS   4           HE1      LYS   4   5.800  -0.616  -0.616
   39   2HE   LYS   4           HE2      LYS   4   7.269  -1.277  -1.277
   40   1HZ   LYS   4           HZ1      LYS   4   7.160  -0.252  -0.252
   41   2HZ   LYS   4           HZ2      LYS   4   6.855  -1.877  -1.877
   42   3HZ   LYS   4           HZ3      LYS   4   8.376  -1.192  -1.192
   43    H    ALA   5           HN       ALA   5   8.031   5.380   5.380
   44    HA   ALA   5           HA       ALA   5   5.524   6.613   6.613
   45   1HB   ALA   5           HB1      ALA   5   8.233   7.695   7.695
   46   2HB   ALA   5           HB2      ALA   5   6.870   8.753   8.753
   47   3HB   ALA   5           HB3      ALA   5   7.501   7.672   7.672
   48    H    ARG   6           HN       ARG   6   7.382   6.301   6.301
   49    HA   ARG   6           HA       ARG   6   5.419   7.932   7.932
   50   1HB   ARG   6           HB1      ARG   6   6.925   7.934   7.934
   51   2HB   ARG   6           HB2      ARG   6   7.981   7.934   7.934
   52   1HG   ARG   6           HG1      ARG   6   8.959   6.080   6.080
   53   2HG   ARG   6           HG2      ARG   6   7.451   5.217   5.217
   54   1HD   ARG   6           HD1      ARG   6   6.633   6.027   6.027
   55   2HD   ARG   6           HD2      ARG   6   8.243   6.683   6.683
   56    HE   ARG   6           HE       ARG   6   8.161   3.824   3.824
   57   1HH1  ARG   6          HH11      ARG   6   6.926   5.291   5.291
   58   2HH1  ARG   6          HH12      ARG   6   8.091   4.701   4.701
   59   1HH2  ARG   6          HH21      ARG   6  10.240   3.481   3.481
   60   2HH2  ARG   6          HH22      ARG   6   9.966   3.676   3.676
   61    H    VAL   7           HN       VAL   7   5.280   4.906   4.906
   62    HA   VAL   7           HA       VAL   7   4.390   3.603   3.603
   63    HB   VAL   7           HB       VAL   7   4.634   2.666   2.666
   64   1HG1  VAL   7          HG11      VAL   7   3.216   1.467   1.467
   65   2HG1  VAL   7          HG12      VAL   7   4.135   0.387   0.387
   66   3HG1  VAL   7          HG13      VAL   7   2.829   1.364   1.364
   67   1HG2  VAL   7          HG21      VAL   7   6.457   2.837   2.837
   68   2HG2  VAL   7          HG22      VAL   7   6.636   1.846   1.846
   69   3HG2  VAL   7          HG23      VAL   7   5.943   1.150   1.150
   70    H    GLU   8           HN       GLU   8   2.992   4.524   4.524
   71    HA   GLU   8           HA       GLU   8   0.305   3.783   3.783
   72   1HB   GLU   8           HB1      GLU   8   1.577   4.619   4.619
   73   2HB   GLU   8           HB2      GLU   8   0.534   5.987   5.987
   74   1HG   GLU   8           HG1      GLU   8  -1.280   4.126   4.126
   75   2HG   GLU   8           HG2      GLU   8  -0.216   3.140   3.140
   76    H    GLN   9           HN       GLN   9   2.287   6.531   6.531
   77    HA   GLN   9           HA       GLN   9   0.125   8.370   8.370
   78   1HB   GLN   9           HB1      GLN   9   2.639   8.877   8.877
   79   2HB   GLN   9           HB2      GLN   9   2.856   8.571   8.571
   80   1HG   GLN   9           HG1      GLN   9   0.668  10.215  10.215
   81   2HG   GLN   9           HG2      GLN   9   1.552  10.845  10.845
   82   1HE2  GLN   9          HE22      GLN   9   4.072  12.329  12.329
   83   2HE2  GLN   9          HE21      GLN   9   3.439  12.079  12.079
   84    H    GLU  10           HN       GLU  10   2.256   6.376   6.376
   85    HA   GLU  10           HA       GLU  10   0.976   7.138   7.138
   86   1HB   GLU  10           HB1      GLU  10   2.223   5.340   5.340
   87   2HB   GLU  10           HB2      GLU  10   3.259   6.075   6.075
   88   1HG   GLU  10           HG1      GLU  10   2.567   4.307   4.307
   89   2HG   GLU  10           HG2      GLU  10   1.602   3.555   3.555
   90    H    LEU  11           HN       LEU  11   0.364   4.549   4.549
   91    HA   LEU  11           HA       LEU  11  -1.608   3.256   3.256
   92   1HB   LEU  11           HB1      LEU  11  -1.052   2.921   2.921
   93   2HB   LEU  11           HB2      LEU  11  -2.066   1.860   1.860
   94    HG   LEU  11           HG       LEU  11   0.769   2.412   2.412
   95   1HD1  LEU  11          HD11      LEU  11  -0.187   0.544   0.544
   96   2HD1  LEU  11          HD12      LEU  11   1.301   0.239   0.239
   97   3HD1  LEU  11          HD13      LEU  11   1.136   1.708   1.708
   98   1HD2  LEU  11          HD21      LEU  11  -1.277   0.220   0.220
   99   2HD2  LEU  11          HD22      LEU  11  -0.500   1.216   1.216
  100   3HD2  LEU  11          HD23      LEU  11   0.426  -0.025  -0.025
  101    H    GLN  12           HN       GLN  12  -1.612   5.960   5.960
  102    HA   GLN  12           HA       GLN  12  -4.237   5.854   5.854
  103   1HB   GLN  12           HB1      GLN  12  -4.008   8.165   8.165
  104   2HB   GLN  12           HB2      GLN  12  -2.350   7.567   7.567
  105   1HG   GLN  12           HG1      GLN  12  -1.915   9.185   9.185
  106   2HG   GLN  12           HG2      GLN  12  -2.793   8.178   8.178
  107   1HE2  GLN  12          HE22      GLN  12  -5.589  10.342  10.342
  108   2HE2  GLN  12          HE21      GLN  12  -4.897   8.882   8.882
  109    H    ALA  13           HN       ALA  13  -3.189   6.224   6.224
  110    HA   ALA  13           HA       ALA  13  -5.489   7.677   7.677
  111   1HB   ALA  13           HB1      ALA  13  -3.344   7.582   7.582
  112   2HB   ALA  13           HB2      ALA  13  -3.552   5.844   5.844
  113   3HB   ALA  13           HB3      ALA  13  -4.669   6.971   6.971
  114    H    LEU  14           HN       LEU  14  -4.543   4.278   4.278
  115    HA   LEU  14           HA       LEU  14  -7.066   3.427   3.427
  116   1HB   LEU  14           HB1      LEU  14  -4.688   2.061   2.061
  117   2HB   LEU  14           HB2      LEU  14  -6.186   1.138   1.138
  118    HG   LEU  14           HG       LEU  14  -4.819   0.845   0.845
  119   1HD1  LEU  14          HD12      LEU  14  -7.425   1.137   1.137
  120   2HD1  LEU  14          HD13      LEU  14  -7.078   2.657   2.657
  121   3HD1  LEU  14          HD11      LEU  14  -6.568   1.130   1.130
  122   1HD2  LEU  14          HD22      LEU  14  -3.838   3.252   3.252
  123   2HD2  LEU  14          HD23      LEU  14  -4.068   2.637   2.637
  124   3HD2  LEU  14          HD21      LEU  14  -5.237   3.761   3.761
  125    H    GLU  15           HN       GLU  15  -5.778   3.404   3.404
  126    HA   GLU  15           HA       GLU  15  -8.144   2.207   2.207
  127   1HB   GLU  15           HB1      GLU  15  -5.769   2.407   2.407
  128   2HB   GLU  15           HB2      GLU  15  -6.268   4.029   4.029
  129   1HG   GLU  15           HG1      GLU  15  -8.425   2.637   2.637
  130   2HG   GLU  15           HG2      GLU  15  -7.197   1.381   1.381
  131    H    ALA  16           HN       ALA  16  -7.211   5.489   5.489
  132    HA   ALA  16           HA       ALA  16  -9.080   6.904   6.904
  133   1HB   ALA  16           HB1      ALA  16  -7.606   7.451   7.451
  134   2HB   ALA  16           HB2      ALA  16  -8.982   8.490   8.490
  135   3HB   ALA  16           HB3      ALA  16  -7.633   8.371   8.371
  136    H    ARG  17           HN       ARG  17  -9.442   5.281   5.281
  137    HA   ARG  17           HA       ARG  17 -12.362   5.275   5.275
  138   1HB   ARG  17           HB1      ARG  17 -12.591   6.098   6.098
  139   2HB   ARG  17           HB2      ARG  17 -12.295   7.305   7.305
  140   1HG   ARG  17           HG1      ARG  17 -10.402   7.924   7.924
  141   2HG   ARG  17           HG2      ARG  17  -9.766   6.288   6.288
  142   1HD   ARG  17           HD1      ARG  17  -9.828   6.257   6.257
  143   2HD   ARG  17           HD2      ARG  17 -11.551   5.955   5.955
  144    HE   ARG  17           HE       ARG  17 -11.695   8.574   8.574
  145   1HH1  ARG  17          HH11      ARG  17  -9.768  10.003  10.003
  146   2HH1  ARG  17          HH12      ARG  17  -9.400   9.614   9.614
  147   1HH2  ARG  17          HH21      ARG  17 -11.082   6.583   6.583
  148   2HH2  ARG  17          HH22      ARG  17 -10.142   7.677   7.677
  149    H    GLY  18           HN       GLY  18 -11.308   2.989   2.989
  150   1HA   GLY  18           HA1      GLY  18 -11.151   1.736   1.736
  151   2HA   GLY  18           HA2      GLY  18 -10.272   1.122   1.122
  152    H    THR  19           HN       THR  19 -13.540   2.300   2.300
  153    HA   THR  19           HA       THR  19 -15.564   1.152   1.152
  154    HB   THR  19           HB       THR  19 -14.282  -1.443  -1.443
  155    HG1  THR  19           HG1      THR  19 -13.594  -0.338  -0.338
  156   1HG2  THR  19          HG22      THR  19 -16.914  -0.435  -0.435
  157   2HG2  THR  19          HG23      THR  19 -16.770  -0.836  -0.836
  158   3HG2  THR  19          HG21      THR  19 -16.440  -2.062  -2.062
  159    H    ASP  20           HN       ASP  20 -15.018   1.558   1.558
  160    HA   ASP  20           HA       ASP  20 -14.497   0.881   0.881
  161   1HB   ASP  20           HB1      ASP  20 -16.044  -1.355  -1.355
  162   2HB   ASP  20           HB2      ASP  20 -15.402  -1.575  -1.575
  163    H    SER  21           HN       SER  21 -12.165   0.818   0.818
  164    HA   SER  21           HA       SER  21 -10.994  -1.851  -1.851
  165   1HB   SER  21           HB1      SER  21  -9.286   0.592   0.592
  166   2HB   SER  21           HB2      SER  21  -9.166  -0.870  -0.870
  167    HG   SER  21           HG       SER  21 -10.741  -0.175  -0.175
  168    H    ASN  22           HN       ASN  22 -11.974  -0.150  -0.150
  169    HA   ASN  22           HA       ASN  22  -9.502  -0.247  -0.247
  170   1HB   ASN  22           HB1      ASN  22 -12.324   0.396   0.396
  171   2HB   ASN  22           HB2      ASN  22 -10.832   0.739   0.739
  172   1HD2  ASN  22          HD22      ASN  22 -10.654   3.898   3.898
  173   2HD2  ASN  22          HD21      ASN  22 -10.507   2.970   2.970
  174    H    ALA  23           HN       ALA  23 -10.995  -2.678  -2.678
  175    HA   ALA  23           HA       ALA  23 -11.281  -4.112  -4.112
  176   1HB   ALA  23           HB1      ALA  23 -12.830  -4.270  -4.270
  177   2HB   ALA  23           HB2      ALA  23 -12.625  -5.746  -5.746
  178   3HB   ALA  23           HB3      ALA  23 -13.410  -4.341  -4.341
  179    H    GLU  24           HN       GLU  24 -10.329  -4.484  -4.484
  180    HA   GLU  24           HA       GLU  24  -8.958  -6.983  -6.983
  181   1HB   GLU  24           HB1      GLU  24  -8.811  -4.972  -4.972
  182   2HB   GLU  24           HB2      GLU  24  -7.996  -6.536  -6.536
  183   1HG   GLU  24           HG1      GLU  24 -10.958  -6.329  -6.329
  184   2HG   GLU  24           HG2      GLU  24 -10.335  -6.375  -6.375
  185    H    LEU  25           HN       LEU  25  -8.204  -3.746  -3.746
  186    HA   LEU  25           HA       LEU  25  -5.490  -3.427  -3.427
  187   1HB   LEU  25           HB1      LEU  25  -7.384  -2.488  -2.488
  188   2HB   LEU  25           HB2      LEU  25  -5.722  -2.561  -2.561
  189    HG   LEU  25           HG       LEU  25  -6.099  -1.419  -1.419
  190   1HD1  LEU  25          HD13      LEU  25  -7.605  -0.457  -0.457
  191   2HD1  LEU  25          HD11      LEU  25  -6.456   0.763   0.763
  192   3HD1  LEU  25          HD12      LEU  25  -7.645   0.103   0.103
  193   1HD2  LEU  25          HD23      LEU  25  -4.272  -1.258  -1.258
  194   2HD2  LEU  25          HD21      LEU  25  -3.932  -1.054  -1.054
  195   3HD2  LEU  25          HD22      LEU  25  -4.577   0.294   0.294
  196    H    ARG  26           HN       ARG  26  -7.024  -5.714  -5.714
  197    HA   ARG  26           HA       ARG  26  -4.870  -6.341  -6.341
  198   1HB   ARG  26           HB1      ARG  26  -7.375  -7.561  -7.561
  199   2HB   ARG  26           HB2      ARG  26  -6.117  -8.788  -8.788
  200   1HG   ARG  26           HG1      ARG  26  -7.033  -8.585  -8.585
  201   2HG   ARG  26           HG2      ARG  26  -5.535  -7.654  -7.654
  202   1HD   ARG  26           HD1      ARG  26  -7.899  -6.124  -6.124
  203   2HD   ARG  26           HD2      ARG  26  -7.982  -6.696  -6.696
  204    HE   ARG  26           HE       ARG  26  -5.429  -5.586  -5.586
  205   1HH1  ARG  26          HH21      ARG  26  -8.147  -4.255  -4.255
  206   2HH1  ARG  26          HH22      ARG  26  -8.097  -2.760  -2.760
  207   1HH2  ARG  26          HH11      ARG  26  -5.587  -3.795  -3.795
  208   2HH2  ARG  26          HH12      ARG  26  -6.650  -2.500  -2.500
  209    H    ALA  27           HN       ALA  27  -5.765  -8.149  -8.149
  210    HA   ALA  27           HA       ALA  27  -3.334  -9.613  -9.613
  211   1HB   ALA  27           HB3      ALA  27  -5.645  -9.768  -9.768
  212   2HB   ALA  27           HB1      ALA  27  -4.711  -8.861  -8.861
  213   3HB   ALA  27           HB2      ALA  27  -4.147 -10.441 -10.441
  214    H    MET  28           HN       MET  28  -4.162  -6.371  -6.371
  215    HA   MET  28           HA       MET  28  -2.036  -5.921  -5.921
  216   1HB   MET  28           HB1      MET  28  -4.071  -4.399  -4.399
  217   2HB   MET  28           HB2      MET  28  -2.888  -3.750  -3.750
  218   1HG   MET  28           HG1      MET  28  -2.462  -2.373  -2.373
  219   2HG   MET  28           HG2      MET  28  -1.371  -3.700  -3.700
  220   1HE   MET  28           HE2      MET  28  -2.937  -1.342  -1.342
  221   2HE   MET  28           HE3      MET  28  -4.010  -1.867  -1.867
  222   3HE   MET  28           HE1      MET  28  -4.621  -1.716  -1.716
  223    H    GLU  29           HN       GLU  29  -2.123  -5.845  -5.845
  224    HA   GLU  29           HA       GLU  29   0.414  -4.619  -4.619
  225   1HB   GLU  29           HB1      GLU  29  -1.538  -6.095  -6.095
  226   2HB   GLU  29           HB2      GLU  29   0.110  -6.527  -6.527
  227   1HG   GLU  29           HG1      GLU  29  -0.900  -3.678  -3.678
  228   2HG   GLU  29           HG2      GLU  29  -0.795  -4.558  -4.558
  229    H    ALA  30           HN       ALA  30  -0.484  -8.030  -8.030
  230    HA   ALA  30           HA       ALA  30   2.047  -9.196  -9.196
  231   1HB   ALA  30           HB3      ALA  30  -0.455 -10.024 -10.024
  232   2HB   ALA  30           HB1      ALA  30   0.705 -10.418 -10.418
  233   3HB   ALA  30           HB2      ALA  30   0.932 -11.051 -11.051
  234    H    LYS  31           HN       LYS  31   0.651  -8.113  -8.113
  235    HA   LYS  31           HA       LYS  31   3.037  -8.512  -8.512
  236   1HB   LYS  31           HB1      LYS  31   1.987  -7.037  -7.037
  237   2HB   LYS  31           HB2      LYS  31   0.819  -8.200  -8.200
  238   1HG   LYS  31           HG1      LYS  31  -0.208  -6.559  -6.559
  239   2HG   LYS  31           HG2      LYS  31   1.131  -5.431  -5.431
  240   1HD   LYS  31           HD1      LYS  31   0.075  -6.153  -6.153
  241   2HD   LYS  31           HD2      LYS  31  -1.249  -5.620  -5.620
  242   1HE   LYS  31           HE1      LYS  31  -0.560  -3.550  -3.550
  243   2HE   LYS  31           HE2      LYS  31   0.583  -3.733  -3.733
  244   1HZ   LYS  31           HZ3      LYS  31   1.816  -5.026  -5.026
  245   2HZ   LYS  31           HZ1      LYS  31   1.052  -3.755  -3.755
  246   3HZ   LYS  31           HZ2      LYS  31   2.121  -3.417  -3.417
  247    H    LEU  32           HN       LEU  32   2.131  -6.070  -6.070
  248    HA   LEU  32           HA       LEU  32   3.692  -3.889  -3.889
  249   1HB   LEU  32           HB1      LEU  32   2.003  -3.879  -3.879
  250   2HB   LEU  32           HB2      LEU  32   3.272  -4.587  -4.587
  251    HG   LEU  32           HG       LEU  32   4.447  -2.402  -2.402
  252   1HD1  LEU  32          HD11      LEU  32   1.844  -1.859  -1.859
  253   2HD1  LEU  32          HD12      LEU  32   2.098  -1.350  -1.350
  254   3HD1  LEU  32          HD13      LEU  32   3.018  -0.595  -0.595
  255   1HD2  LEU  32          HD21      LEU  32   4.379  -3.490  -3.490
  256   2HD2  LEU  32          HD22      LEU  32   5.223  -2.006  -2.006
  257   3HD2  LEU  32          HD23      LEU  32   3.597  -1.927  -1.927
  258    H    LYS  33           HN       LYS  33   4.540  -6.606  -6.606
  259    HA   LYS  33           HA       LYS  33   7.167  -5.821  -5.821
  260   1HB   LYS  33           HB1      LYS  33   5.666  -8.002  -8.002
  261   2HB   LYS  33           HB2      LYS  33   6.765  -8.696  -8.696
  262   1HG   LYS  33           HG1      LYS  33   8.048  -8.982  -8.982
  263   2HG   LYS  33           HG2      LYS  33   8.571  -7.359  -7.359
  264   1HD   LYS  33           HD1      LYS  33   6.192  -7.050  -7.050
  265   2HD   LYS  33           HD2      LYS  33   7.196  -8.208  -8.208
  266   1HE   LYS  33           HE1      LYS  33   9.005  -6.681  -6.681
  267   2HE   LYS  33           HE2      LYS  33   8.333  -5.630  -5.630
  268   1HZ   LYS  33           HZ1      LYS  33   6.592  -6.051  -6.051
  269   2HZ   LYS  33           HZ2      LYS  33   8.041  -5.255  -5.255
  270   3HZ   LYS  33           HZ3      LYS  33   7.009  -4.612  -4.612
  271    H    ALA  34           HN       ALA  34   6.002  -7.631  -7.631
  272    HA   ALA  34           HA       ALA  34   8.551  -8.055  -8.055
  273   1HB   ALA  34           HB1      ALA  34   6.139  -8.931  -8.931
  274   2HB   ALA  34           HB2      ALA  34   6.132  -7.513  -7.513
  275   3HB   ALA  34           HB3      ALA  34   7.375  -8.748  -8.748
  276    H    GLU  35           HN       GLU  35   6.355  -5.285  -5.285
  277    HA   GLU  35           HA       GLU  35   7.668  -3.831  -3.831
  278   1HB   GLU  35           HB1      GLU  35   5.863  -3.099  -3.099
  279   2HB   GLU  35           HB2      GLU  35   6.670  -1.816  -1.816
  280   1HG   GLU  35           HG1      GLU  35   5.541  -3.811  -3.811
  281   2HG   GLU  35           HG2      GLU  35   4.305  -3.139  -3.139
  282    H    ILE  36           HN       ILE  36   8.155  -3.899  -3.899
  283    HA   ILE  36           HA       ILE  36  10.079  -1.851  -1.851
  284    HB   ILE  36           HB       ILE  36   9.894  -4.465  -4.465
  285   1HG1  ILE  36          HG11      ILE  36   8.947  -1.653  -1.653
  286   2HG1  ILE  36          HG12      ILE  36   7.906  -2.988  -2.988
  287   1HG2  ILE  36          HG21      ILE  36  12.146  -3.218  -3.218
  288   2HG2  ILE  36          HG22      ILE  36  11.286  -1.931  -1.931
  289   3HG2  ILE  36          HG23      ILE  36  11.391  -3.539  -3.539
  290   1HD1  ILE  36          HD11      ILE  36   9.537  -3.922  -3.922
  291   2HD1  ILE  36          HD12      ILE  36   8.867  -2.363  -2.363
  292   3HD1  ILE  36          HD13      ILE  36   7.791  -3.672  -3.672
  293    H    GLN  37           HN       GLN  37  10.701  -5.344  -5.344
  294    HA   GLN  37           HA       GLN  37  13.482  -5.223  -5.223
  295   1HB   GLN  37           HB1      GLN  37  11.830  -7.268  -7.268
  296   2HB   GLN  37           HB2      GLN  37  11.847  -7.038  -7.038
  297   1HG   GLN  37           HG1      GLN  37  13.613  -8.563  -8.563
  298   2HG   GLN  37           HG2      GLN  37  14.427  -7.005  -7.005
  299   1HE2  GLN  37          HE22      GLN  37  15.989  -7.906  -7.906
  300   2HE2  GLN  37          HE21      GLN  37  16.207  -7.728  -7.728
  301    H    LYS  38           HN       LYS  38  11.132  -5.362  -5.362
  302    HA   LYS  38           HA       LYS  38  13.078  -4.508  -4.508
  303   1HB   LYS  38           HB1      LYS  38  10.061  -4.665  -4.665
  304   2HB   LYS  38           HB2      LYS  38  10.985  -4.081  -4.081
  305   1HG   LYS  38           HG1      LYS  38  12.156  -6.181  -6.181
  306   2HG   LYS  38           HG2      LYS  38  11.494  -6.751  -6.751
  307   1HD   LYS  38           HD1      LYS  38   9.214  -6.669  -6.669
  308   2HD   LYS  38           HD2      LYS  38   9.907  -6.150  -6.150
  309   1HE   LYS  38           HE1      LYS  38  10.002  -8.370  -8.370
  310   2HE   LYS  38           HE2      LYS  38  11.409  -8.383  -8.383
  311   1HZ   LYS  38           HZ1      LYS  38   9.591  -8.633  -8.633
  312   2HZ   LYS  38           HZ2      LYS  38   8.655  -9.236  -9.236
  313   3HZ   LYS  38           HZ3      LYS  38  10.122  -9.988  -9.988
  314   1HN   NH2  39          1HN       NH2  39  13.647  -1.667  -1.667
  315   2HN   NH2  39          2HN       NH2  39  12.578  -2.073  -2.073

  Start of MODEL    5
    1   1H2   SIN   0          1H2       SIN   0  13.923  -0.786  -0.786
    2   2H2   SIN   0          2H2       SIN   0  14.875  -2.257  -2.257
    3   1H3   SIN   0          1H3       SIN   0  12.491  -3.357  -3.357
    4   2H3   SIN   0          2H3       SIN   0  12.035  -1.708  -1.708
    5    H    ASP   1           HN       ASP   1  14.253  -0.784  -0.784
    6    HA   ASP   1           HA       ASP   1  12.305  -1.993  -1.993
    7   1HB   ASP   1           HB1      ASP   1  14.675  -2.282  -2.282
    8   2HB   ASP   1           HB2      ASP   1  14.747  -0.523  -0.523
    9    H    TRP   2           HN       TRP   2  14.199   0.974   0.974
   10    HA   TRP   2           HA       TRP   2  12.514   2.834   2.834
   11   1HB   TRP   2           HB1      TRP   2  13.463   4.490   4.490
   12   2HB   TRP   2           HB2      TRP   2  14.724   3.279   3.279
   13    HD1  TRP   2           HD1      TRP   2  14.956   1.398   1.398
   14    HE1  TRP   2           HE1      TRP   2  14.597   1.579   1.579
   15    HE3  TRP   2           HE3      TRP   2  12.156   5.642   5.642
   16    HZ2  TRP   2           HZ2      TRP   2  13.264   3.319   3.319
   17    HZ3  TRP   2           HZ3      TRP   2  11.350   6.547   6.547
   18    HH2  TRP   2           HH2      TRP   2  11.901   5.389   5.389
   19    H    LEU   3           HN       LEU   3  12.184   1.260   1.260
   20    HA   LEU   3           HA       LEU   3  10.093   2.807   2.807
   21   1HB   LEU   3           HB1      LEU   3  11.142   0.076   0.076
   22   2HB   LEU   3           HB2      LEU   3   9.469   0.322   0.322
   23    HG   LEU   3           HG       LEU   3  11.197   2.550   2.550
   24   1HD1  LEU   3          HD13      LEU   3  12.262  -0.108  -0.108
   25   2HD1  LEU   3          HD11      LEU   3  11.885   0.570   0.570
   26   3HD1  LEU   3          HD12      LEU   3  12.970   1.431   1.431
   27   1HD2  LEU   3          HD21      LEU   3   8.818   1.473   1.473
   28   2HD2  LEU   3          HD22      LEU   3   9.774   2.579   2.579
   29   3HD2  LEU   3          HD23      LEU   3   9.901   0.838   0.838
   30    H    LYS   4           HN       LYS   4   9.918   0.023   0.023
   31    HA   LYS   4           HA       LYS   4   7.147  -0.362  -0.362
   32   1HB   LYS   4           HB1      LYS   4   9.341  -1.076  -1.076
   33   2HB   LYS   4           HB2      LYS   4   8.133  -0.353  -0.353
   34   1HG   LYS   4           HG1      LYS   4   6.523  -1.962  -1.962
   35   2HG   LYS   4           HG2      LYS   4   7.274  -2.351  -2.351
   36   1HD   LYS   4           HD1      LYS   4   8.522  -3.975  -3.975
   37   2HD   LYS   4           HD2      LYS   4   9.102  -2.871  -2.871
   38   1HE   LYS   4           HE1      LYS   4   7.308  -3.370  -3.370
   39   2HE   LYS   4           HE2      LYS   4   6.318  -4.020  -4.020
   40   1HZ   LYS   4           HZ1      LYS   4   8.873  -5.329  -5.329
   41   2HZ   LYS   4           HZ2      LYS   4   7.630  -5.568  -5.568
   42   3HZ   LYS   4           HZ3      LYS   4   7.394  -5.998  -5.998
   43    H    ALA   5           HN       ALA   5   9.060   2.223   2.223
   44    HA   ALA   5           HA       ALA   5   6.880   3.385   3.385
   45   1HB   ALA   5           HB2      ALA   5   9.265   3.837   3.837
   46   2HB   ALA   5           HB3      ALA   5   9.424   4.677   4.677
   47   3HB   ALA   5           HB1      ALA   5   8.369   5.328   5.328
   48    H    ARG   6           HN       ARG   6   8.452   4.371   4.371
   49    HA   ARG   6           HA       ARG   6   6.387   6.320   6.320
   50   1HB   ARG   6           HB1      ARG   6   7.525   6.597   6.597
   51   2HB   ARG   6           HB2      ARG   6   8.695   6.593   6.593
   52   1HG   ARG   6           HG1      ARG   6   9.743   5.070   5.070
   53   2HG   ARG   6           HG2      ARG   6   8.655   3.953   3.953
   54   1HD   ARG   6           HD1      ARG   6   8.512   3.600   3.600
   55   2HD   ARG   6           HD2      ARG   6   6.995   4.281   4.281
   56    HE   ARG   6           HE       ARG   6   8.428   6.510   6.510
   57   1HH1  ARG   6          HH11      ARG   6   6.265   4.518   4.518
   58   2HH1  ARG   6          HH12      ARG   6   6.825   4.709   4.709
   59   1HH2  ARG   6          HH21      ARG   6   9.751   6.330   6.330
   60   2HH2  ARG   6          HH22      ARG   6   8.798   5.737   5.737
   61    H    VAL   7           HN       VAL   7   6.201   3.056   3.056
   62    HA   VAL   7           HA       VAL   7   4.721   2.788   2.788
   63    HB   VAL   7           HB       VAL   7   5.536   0.843   0.843
   64   1HG1  VAL   7          HG13      VAL   7   3.560   0.530   0.530
   65   2HG1  VAL   7          HG11      VAL   7   4.530  -0.848  -0.848
   66   3HG1  VAL   7          HG12      VAL   7   3.447  -0.049  -0.049
   67   1HG2  VAL   7          HG22      VAL   7   7.006   1.756   1.756
   68   2HG2  VAL   7          HG23      VAL   7   7.063   0.053   0.053
   69   3HG2  VAL   7          HG21      VAL   7   6.082   0.568   0.568
   70    H    GLU   8           HN       GLU   8   4.127   2.868   2.868
   71    HA   GLU   8           HA       GLU   8   1.361   2.108   2.108
   72   1HB   GLU   8           HB1      GLU   8   2.465   4.026   4.026
   73   2HB   GLU   8           HB2      GLU   8   1.247   2.769   2.769
   74   1HG   GLU   8           HG1      GLU   8   3.126   1.104   1.104
   75   2HG   GLU   8           HG2      GLU   8   4.235   2.450   2.450
   76    H    GLN   9           HN       GLN   9   2.933   5.321   5.321
   77    HA   GLN   9           HA       GLN   9   0.525   6.830   6.830
   78   1HB   GLN   9           HB1      GLN   9   3.228   7.419   7.419
   79   2HB   GLN   9           HB2      GLN   9   2.783   8.031   8.031
   80   1HG   GLN   9           HG1      GLN   9   0.759   9.107   9.107
   81   2HG   GLN   9           HG2      GLN   9   1.621   8.773   8.773
   82   1HE2  GLN   9          HE22      GLN   9   3.274  11.866  11.866
   83   2HE2  GLN   9          HE21      GLN   9   2.282  10.907  10.907
   84    H    GLU  10           HN       GLU  10   2.585   5.419   5.419
   85    HA   GLU  10           HA       GLU  10   1.356   6.646   6.646
   86   1HB   GLU  10           HB1      GLU  10   3.320   4.683   4.683
   87   2HB   GLU  10           HB2      GLU  10   2.072   3.883   3.883
   88   1HG   GLU  10           HG1      GLU  10   3.028   6.639   6.639
   89   2HG   GLU  10           HG2      GLU  10   3.953   5.217   5.217
   90    H    LEU  11           HN       LEU  11   0.566   3.593   3.593
   91    HA   LEU  11           HA       LEU  11  -1.560   2.778   2.778
   92   1HB   LEU  11           HB1      LEU  11  -1.209   2.404   2.404
   93   2HB   LEU  11           HB2      LEU  11  -2.395   1.542   1.542
   94    HG   LEU  11           HG       LEU  11   0.446   1.504   1.504
   95   1HD1  LEU  11          HD11      LEU  11  -0.495   0.471   0.471
   96   2HD1  LEU  11          HD12      LEU  11   0.322  -0.729  -0.729
   97   3HD1  LEU  11          HD13      LEU  11   1.149   0.765   0.765
   98   1HD2  LEU  11          HD22      LEU  11  -1.912  -0.394  -0.394
   99   2HD2  LEU  11          HD23      LEU  11  -1.151   0.366   0.366
  100   3HD2  LEU  11          HD21      LEU  11  -0.300  -0.897  -0.897
  101    H    GLN  12           HN       GLN  12  -1.557   5.001   5.001
  102    HA   GLN  12           HA       GLN  12  -4.439   5.396   5.396
  103   1HB   GLN  12           HB1      GLN  12  -2.473   5.916   5.916
  104   2HB   GLN  12           HB2      GLN  12  -2.834   7.526   7.526
  105   1HG   GLN  12           HG1      GLN  12  -5.349   6.451   6.451
  106   2HG   GLN  12           HG2      GLN  12  -4.491   5.726   5.726
  107   1HE2  GLN  12          HE22      GLN  12  -5.256   9.740   9.740
  108   2HE2  GLN  12          HE21      GLN  12  -5.579   8.797   8.797
  109    H    ALA  13           HN       ALA  13  -1.697   6.740   6.740
  110    HA   ALA  13           HA       ALA  13  -2.798   9.289   9.289
  111   1HB   ALA  13           HB1      ALA  13  -0.583   7.548   7.548
  112   2HB   ALA  13           HB2      ALA  13  -1.178   8.749   8.749
  113   3HB   ALA  13           HB3      ALA  13  -0.564   9.259   9.259
  114    H    LEU  14           HN       LEU  14  -3.232   6.052   6.052
  115    HA   LEU  14           HA       LEU  14  -4.544   6.947   6.947
  116   1HB   LEU  14           HB1      LEU  14  -3.346   4.758   4.758
  117   2HB   LEU  14           HB2      LEU  14  -4.580   4.211   4.211
  118    HG   LEU  14           HG       LEU  14  -5.984   5.258   5.258
  119   1HD1  LEU  14          HD13      LEU  14  -3.378   4.350   4.350
  120   2HD1  LEU  14          HD11      LEU  14  -4.583   3.218   3.218
  121   3HD1  LEU  14          HD12      LEU  14  -4.694   4.931   4.931
  122   1HD2  LEU  14          HD23      LEU  14  -6.572   3.318   3.318
  123   2HD2  LEU  14          HD21      LEU  14  -6.738   2.948   2.948
  124   3HD2  LEU  14          HD22      LEU  14  -5.335   2.365   2.365
  125    H    GLU  15           HN       GLU  15  -5.527   5.958   5.958
  126    HA   GLU  15           HA       GLU  15  -8.317   5.619   5.619
  127   1HB   GLU  15           HB1      GLU  15  -6.917   5.068   5.068
  128   2HB   GLU  15           HB2      GLU  15  -7.310   6.724   6.724
  129   1HG   GLU  15           HG1      GLU  15  -9.003   5.212   5.212
  130   2HG   GLU  15           HG2      GLU  15  -9.728   6.202   6.202
  131    H    ALA  16           HN       ALA  16  -6.497   8.463   8.463
  132    HA   ALA  16           HA       ALA  16  -8.782  10.205  10.205
  133   1HB   ALA  16           HB3      ALA  16  -5.809  10.585  10.585
  134   2HB   ALA  16           HB1      ALA  16  -6.838  11.986  11.986
  135   3HB   ALA  16           HB2      ALA  16  -7.020  11.059  11.059
  136    H    ARG  17           HN       ARG  17  -7.112   8.815   8.815
  137    HA   ARG  17           HA       ARG  17  -7.821  11.059  11.059
  138   1HB   ARG  17           HB1      ARG  17  -5.962   8.691   8.691
  139   2HB   ARG  17           HB2      ARG  17  -6.443   9.677   9.677
  140   1HG   ARG  17           HG1      ARG  17  -5.725  11.637  11.637
  141   2HG   ARG  17           HG2      ARG  17  -4.667  10.350  10.350
  142   1HD   ARG  17           HD1      ARG  17  -3.318  11.187  11.187
  143   2HD   ARG  17           HD2      ARG  17  -4.259  10.048  10.048
  144    HE   ARG  17           HE       ARG  17  -5.098  12.908  12.908
  145   1HH1  ARG  17          HH21      ARG  17  -3.301  10.776  10.776
  146   2HH1  ARG  17          HH22      ARG  17  -4.117  11.128  11.128
  147   1HH2  ARG  17          HH11      ARG  17  -6.562  13.080  13.080
  148   2HH2  ARG  17          HH12      ARG  17  -5.963  12.432  12.432
  149    H    GLY  18           HN       GLY  18  -9.833   9.252   9.252
  150   1HA   GLY  18           HA1      GLY  18 -11.582   8.809   8.809
  151   2HA   GLY  18           HA2      GLY  18 -10.532   7.398   7.398
  152    H    THR  19           HN       THR  19 -13.435   7.783   7.783
  153    HA   THR  19           HA       THR  19 -13.178   6.487   6.487
  154    HB   THR  19           HB       THR  19 -15.372   7.330   7.330
  155    HG1  THR  19           HG1      THR  19 -16.312   7.051   7.051
  156   1HG2  THR  19          HG22      THR  19 -13.621   9.380   9.380
  157   2HG2  THR  19          HG23      THR  19 -15.037   9.813   9.813
  158   3HG2  THR  19          HG21      THR  19 -13.677   8.988   8.988
  159    H    ASP  20           HN       ASP  20 -13.440   5.625   5.625
  160    HA   ASP  20           HA       ASP  20 -15.406   3.446   3.446
  161   1HB   ASP  20           HB1      ASP  20 -15.467   5.336   5.336
  162   2HB   ASP  20           HB2      ASP  20 -14.892   3.847   3.847
  163    H    SER  21           HN       SER  21 -12.982   2.858   2.858
  164    HA   SER  21           HA       SER  21 -12.137   0.625   0.625
  165   1HB   SER  21           HB1      SER  21 -11.183   2.275   2.275
  166   2HB   SER  21           HB2      SER  21 -10.383   3.090   3.090
  167    HG   SER  21           HG       SER  21  -9.911   0.431   0.431
  168    H    ASN  22           HN       ASN  22 -12.712   1.470   1.470
  169    HA   ASN  22           HA       ASN  22 -10.089   1.181   1.181
  170   1HB   ASN  22           HB1      ASN  22 -11.241   1.690   1.690
  171   2HB   ASN  22           HB2      ASN  22 -11.893   2.780   2.780
  172   1HD2  ASN  22          HD22      ASN  22 -15.162   1.618   1.618
  173   2HD2  ASN  22          HD21      ASN  22 -14.136   2.890   2.890
  174    H    ALA  23           HN       ALA  23 -11.789  -0.924  -0.924
  175    HA   ALA  23           HA       ALA  23 -11.758  -2.998  -2.998
  176   1HB   ALA  23           HB1      ALA  23 -13.831  -2.352  -2.352
  177   2HB   ALA  23           HB2      ALA  23 -13.058  -3.642  -3.642
  178   3HB   ALA  23           HB3      ALA  23 -13.613  -3.945  -3.945
  179    H    GLU  24           HN       GLU  24 -10.497  -2.076  -2.076
  180    HA   GLU  24           HA       GLU  24  -9.267  -4.692  -4.692
  181   1HB   GLU  24           HB1      GLU  24  -9.273  -2.075  -2.075
  182   2HB   GLU  24           HB2      GLU  24  -8.207  -3.401  -3.401
  183   1HG   GLU  24           HG1      GLU  24 -11.161  -3.856  -3.856
  184   2HG   GLU  24           HG2      GLU  24 -10.540  -3.249  -3.249
  185    H    LEU  25           HN       LEU  25  -8.585  -2.528  -2.528
  186    HA   LEU  25           HA       LEU  25  -5.868  -1.750  -1.750
  187   1HB   LEU  25           HB1      LEU  25  -7.537  -2.114  -2.114
  188   2HB   LEU  25           HB2      LEU  25  -5.830  -1.679  -1.679
  189    HG   LEU  25           HG       LEU  25  -6.183   0.345   0.345
  190   1HD1  LEU  25          HD11      LEU  25  -8.986  -0.703  -0.703
  191   2HD1  LEU  25          HD12      LEU  25  -8.411   0.899   0.899
  192   3HD1  LEU  25          HD13      LEU  25  -7.707  -0.538  -0.538
  193   1HD2  LEU  25          HD21      LEU  25  -7.786  -0.286  -0.286
  194   2HD2  LEU  25          HD22      LEU  25  -6.933   1.207   1.207
  195   3HD2  LEU  25          HD23      LEU  25  -8.574   0.946   0.946
  196    H    ARG  26           HN       ARG  26  -7.290  -4.788  -4.788
  197    HA   ARG  26           HA       ARG  26  -4.918  -5.924  -5.924
  198   1HB   ARG  26           HB1      ARG  26  -7.543  -6.999  -6.999
  199   2HB   ARG  26           HB2      ARG  26  -6.227  -8.118  -8.118
  200   1HG   ARG  26           HG1      ARG  26  -7.285  -7.989  -7.989
  201   2HG   ARG  26           HG2      ARG  26  -6.061  -6.730  -6.730
  202   1HD   ARG  26           HD1      ARG  26  -8.269  -5.499  -5.499
  203   2HD   ARG  26           HD2      ARG  26  -8.943  -6.483  -6.483
  204    HE   ARG  26           HE       ARG  26  -6.670  -5.004  -5.004
  205   1HH1  ARG  26          HH11      ARG  26  -9.954  -5.360  -5.360
  206   2HH1  ARG  26          HH12      ARG  26 -10.288  -3.720  -3.720
  207   1HH2  ARG  26          HH21      ARG  26  -7.087  -2.596  -2.596
  208   2HH2  ARG  26          HH22      ARG  26  -8.663  -2.156  -2.156
  209    H    ALA  27           HN       ALA  27  -6.130  -5.562  -5.562
  210    HA   ALA  27           HA       ALA  27  -4.575  -7.595  -7.595
  211   1HB   ALA  27           HB1      ALA  27  -6.212  -5.345  -5.345
  212   2HB   ALA  27           HB2      ALA  27  -4.762  -5.462  -5.462
  213   3HB   ALA  27           HB3      ALA  27  -5.858  -6.838  -6.838
  214    H    MET  28           HN       MET  28  -3.908  -4.091  -4.091
  215    HA   MET  28           HA       MET  28  -1.233  -4.297  -4.297
  216   1HB   MET  28           HB1      MET  28  -0.934  -2.033  -2.033
  217   2HB   MET  28           HB2      MET  28  -2.414  -2.154  -2.154
  218   1HG   MET  28           HG1      MET  28  -3.425  -2.880  -2.880
  219   2HG   MET  28           HG2      MET  28  -2.067  -1.924  -1.924
  220   1HE   MET  28           HE1      MET  28  -3.111  -0.567  -0.567
  221   2HE   MET  28           HE2      MET  28  -2.829   1.012   1.012
  222   3HE   MET  28           HE3      MET  28  -4.473   0.503   0.503
  223    H    GLU  29           HN       GLU  29  -2.623  -5.115  -5.115
  224    HA   GLU  29           HA       GLU  29  -0.370  -4.684  -4.684
  225   1HB   GLU  29           HB1      GLU  29  -2.917  -5.463  -5.463
  226   2HB   GLU  29           HB2      GLU  29  -2.118  -7.035  -7.035
  227   1HG   GLU  29           HG1      GLU  29  -0.534  -5.122  -5.122
  228   2HG   GLU  29           HG2      GLU  29  -2.202  -5.013  -5.013
  229    H    ALA  30           HN       ALA  30  -1.353  -7.485  -7.485
  230    HA   ALA  30           HA       ALA  30   0.673  -9.266  -9.266
  231   1HB   ALA  30           HB1      ALA  30  -1.377  -9.281  -9.281
  232   2HB   ALA  30           HB2      ALA  30   0.107  -9.576  -9.576
  233   3HB   ALA  30           HB3      ALA  30  -0.332 -10.631 -10.631
  234    H    LYS  31           HN       LYS  31   0.666  -7.507  -7.507
  235    HA   LYS  31           HA       LYS  31   3.377  -7.926  -7.926
  236   1HB   LYS  31           HB1      LYS  31   1.567  -5.588  -5.588
  237   2HB   LYS  31           HB2      LYS  31   3.166  -5.810  -5.810
  238   1HG   LYS  31           HG1      LYS  31   2.501  -7.636  -7.636
  239   2HG   LYS  31           HG2      LYS  31   1.270  -8.120  -8.120
  240   1HD   LYS  31           HD1      LYS  31   0.509  -5.561  -5.561
  241   2HD   LYS  31           HD2      LYS  31   0.982  -6.486  -6.486
  242   1HE   LYS  31           HE1      LYS  31  -0.569  -8.136  -8.136
  243   2HE   LYS  31           HE2      LYS  31  -1.454  -6.664  -6.664
  244   1HZ   LYS  31           HZ3      LYS  31  -1.045  -7.110  -7.110
  245   2HZ   LYS  31           HZ1      LYS  31  -0.233  -8.544  -8.544
  246   3HZ   LYS  31           HZ2      LYS  31  -1.891  -8.389  -8.389
  247    H    LEU  32           HN       LEU  32   1.942  -5.717  -5.717
  248    HA   LEU  32           HA       LEU  32   3.966  -3.787  -3.787
  249   1HB   LEU  32           HB1      LEU  32   1.767  -3.831  -3.831
  250   2HB   LEU  32           HB2      LEU  32   2.456  -5.057  -5.057
  251    HG   LEU  32           HG       LEU  32   4.376  -3.388  -3.388
  252   1HD1  LEU  32          HD11      LEU  32   2.871  -1.957  -1.957
  253   2HD1  LEU  32          HD12      LEU  32   2.732  -1.070  -1.070
  254   3HD1  LEU  32          HD13      LEU  32   4.324  -1.424  -1.424
  255   1HD2  LEU  32          HD21      LEU  32   2.613  -3.880  -3.880
  256   2HD2  LEU  32          HD22      LEU  32   3.080  -2.180  -2.180
  257   3HD2  LEU  32          HD23      LEU  32   1.578  -2.659  -2.659
  258    H    LYS  33           HN       LYS  33   3.671  -6.565  -6.565
  259    HA   LYS  33           HA       LYS  33   6.347  -6.378  -6.378
  260   1HB   LYS  33           HB1      LYS  33   5.969  -8.778  -8.778
  261   2HB   LYS  33           HB2      LYS  33   4.758  -7.622  -7.622
  262   1HG   LYS  33           HG1      LYS  33   3.111  -8.572  -8.572
  263   2HG   LYS  33           HG2      LYS  33   4.180  -8.834  -8.834
  264   1HD   LYS  33           HD1      LYS  33   5.191 -10.770 -10.770
  265   2HD   LYS  33           HD2      LYS  33   4.106 -10.509 -10.509
  266   1HE   LYS  33           HE1      LYS  33   2.521 -10.572 -10.572
  267   2HE   LYS  33           HE2      LYS  33   3.601 -11.966 -11.966
  268   1HZ   LYS  33           HZ1      LYS  33   2.539 -11.569 -11.569
  269   2HZ   LYS  33           HZ2      LYS  33   1.286 -11.705 -11.705
  270   3HZ   LYS  33           HZ3      LYS  33   2.446 -12.938 -12.938
  271    H    ALA  34           HN       ALA  34   5.166  -7.470  -7.470
  272    HA   ALA  34           HA       ALA  34   7.281  -9.415  -9.415
  273   1HB   ALA  34           HB1      ALA  34   4.836  -8.687  -8.687
  274   2HB   ALA  34           HB2      ALA  34   6.100  -8.371  -8.371
  275   3HB   ALA  34           HB3      ALA  34   5.933  -9.979  -9.979
  276    H    GLU  35           HN       GLU  35   6.797  -5.972  -5.972
  277    HA   GLU  35           HA       GLU  35   9.187  -5.802  -5.802
  278   1HB   GLU  35           HB1      GLU  35   7.068  -4.378  -4.378
  279   2HB   GLU  35           HB2      GLU  35   7.623  -3.480  -3.480
  280   1HG   GLU  35           HG1      GLU  35   9.747  -2.983  -2.983
  281   2HG   GLU  35           HG2      GLU  35   9.213  -3.905  -3.905
  282    H    ILE  36           HN       ILE  36   8.254  -5.214  -5.214
  283    HA   ILE  36           HA       ILE  36  10.230  -3.511  -3.511
  284    HB   ILE  36           HB       ILE  36  10.153  -4.793  -4.793
  285   1HG1  ILE  36          HG11      ILE  36   8.176  -6.700  -6.700
  286   2HG1  ILE  36          HG12      ILE  36   9.289  -6.882  -6.882
  287   1HG2  ILE  36          HG23      ILE  36   8.347  -3.190  -3.190
  288   2HG2  ILE  36          HG21      ILE  36   7.447  -4.532  -4.532
  289   3HG2  ILE  36          HG22      ILE  36   7.760  -4.497  -4.497
  290   1HD1  ILE  36          HD11      ILE  36  10.488  -6.583  -6.583
  291   2HD1  ILE  36          HD12      ILE  36   9.688  -8.114  -8.114
  292   3HD1  ILE  36          HD13      ILE  36  11.028  -7.561  -7.561
  293    H    GLN  37           HN       GLN  37  10.609  -6.850  -6.850
  294    HA   GLN  37           HA       GLN  37  13.221  -7.305  -7.305
  295   1HB   GLN  37           HB1      GLN  37  11.666  -8.435  -8.435
  296   2HB   GLN  37           HB2      GLN  37  13.353  -8.890  -8.890
  297   1HG   GLN  37           HG1      GLN  37  11.396  -9.020  -9.020
  298   2HG   GLN  37           HG2      GLN  37  11.485 -10.337 -10.337
  299   1HE2  GLN  37          HE22      GLN  37  14.733 -11.405 -11.405
  300   2HE2  GLN  37          HE21      GLN  37  13.644 -11.429 -11.429
  301    H    LYS  38           HN       LYS  38  12.321  -6.415  -6.415
  302    HA   LYS  38           HA       LYS  38  14.958  -5.823  -5.823
  303   1HB   LYS  38           HB1      LYS  38  12.215  -5.142  -5.142
  304   2HB   LYS  38           HB2      LYS  38  13.542  -4.165  -4.165
  305   1HG   LYS  38           HG1      LYS  38  14.697  -6.179  -6.179
  306   2HG   LYS  38           HG2      LYS  38  13.446  -7.197  -7.197
  307   1HD   LYS  38           HD1      LYS  38  12.974  -6.990  -6.990
  308   2HD   LYS  38           HD2      LYS  38  11.774  -6.036  -6.036
  309   1HE   LYS  38           HE1      LYS  38  14.275  -4.620  -4.620
  310   2HE   LYS  38           HE2      LYS  38  13.202  -5.062  -5.062
  311   1HZ   LYS  38           HZ2      LYS  38  11.460  -4.100  -4.100
  312   2HZ   LYS  38           HZ3      LYS  38  12.814  -3.139  -3.139
  313   3HZ   LYS  38           HZ1      LYS  38  12.181  -3.159  -3.159
  314   1HN   NH2  39          1HN       NH2  39  12.881  -2.722  -2.722
  315   2HN   NH2  39          2HN       NH2  39  13.536  -3.727  -3.727

  Start of MODEL    6
    1   1H2   SIN   0          1H2       SIN   0  11.090   4.134   4.134
    2   2H2   SIN   0          2H2       SIN   0  12.536   4.279   4.279
    3   1H3   SIN   0          1H3       SIN   0  10.465   3.263   3.263
    4   2H3   SIN   0          2H3       SIN   0   9.789   4.626   4.626
    5    H    ASP   1           HN       ASP   1  13.431   4.940   4.940
    6    HA   ASP   1           HA       ASP   1  11.844   3.019   3.019
    7   1HB   ASP   1           HB1      ASP   1  14.586   3.374   3.374
    8   2HB   ASP   1           HB2      ASP   1  14.497   3.169   3.169
    9    H    TRP   2           HN       TRP   2  13.366   6.072   6.072
   10    HA   TRP   2           HA       TRP   2  13.427   5.931   5.931
   11   1HB   TRP   2           HB1      TRP   2  13.337   8.317   8.317
   12   2HB   TRP   2           HB2      TRP   2  14.087   7.901   7.901
   13    HD1  TRP   2           HD1      TRP   2  12.374   7.755   7.755
   14    HE1  TRP   2           HE1      TRP   2  10.279   9.178   9.178
   15    HE3  TRP   2           HE3      TRP   2  11.437   9.672   9.672
   16    HZ2  TRP   2           HZ2      TRP   2   8.448  10.893  10.893
   17    HZ3  TRP   2           HZ3      TRP   2   9.531  11.205  11.205
   18    HH2  TRP   2           HH2      TRP   2   8.031  11.816  11.816
   19    H    LEU   3           HN       LEU   3  10.643   6.571   6.571
   20    HA   LEU   3           HA       LEU   3   8.808   7.220   7.220
   21   1HB   LEU   3           HB1      LEU   3   8.665   6.503   6.503
   22   2HB   LEU   3           HB2      LEU   3   7.285   5.892   5.892
   23    HG   LEU   3           HG       LEU   3   8.074   8.638   8.638
   24   1HD1  LEU   3          HD11      LEU   3   8.553   8.687   8.687
   25   2HD1  LEU   3          HD12      LEU   3   6.944   8.045   8.045
   26   3HD1  LEU   3          HD13      LEU   3   7.126   9.648   9.648
   27   1HD2  LEU   3          HD23      LEU   3   5.930   7.112   7.112
   28   2HD2  LEU   3          HD21      LEU   3   5.806   8.867   8.867
   29   3HD2  LEU   3          HD22      LEU   3   5.383   7.855   7.855
   30    H    LYS   4           HN       LYS   4   9.837   4.095   4.095
   31    HA   LYS   4           HA       LYS   4   7.986   2.359   2.359
   32   1HB   LYS   4           HB1      LYS   4  10.600   2.129   2.129
   33   2HB   LYS   4           HB2      LYS   4  10.652   1.373   1.373
   34   1HG   LYS   4           HG1      LYS   4   9.582  -0.425  -0.425
   35   2HG   LYS   4           HG2      LYS   4   8.211   0.595   0.595
   36   1HD   LYS   4           HD1      LYS   4   8.886   0.791   0.791
   37   2HD   LYS   4           HD2      LYS   4  10.599   0.709   0.709
   38   1HE   LYS   4           HE1      LYS   4   8.774  -1.683  -1.683
   39   2HE   LYS   4           HE2      LYS   4   9.597  -1.320  -1.320
   40   1HZ   LYS   4           HZ2      LYS   4  11.409  -1.125  -1.125
   41   2HZ   LYS   4           HZ3      LYS   4  10.633  -2.636  -2.636
   42   3HZ   LYS   4           HZ1      LYS   4  11.466  -2.155  -2.155
   43    H    ALA   5           HN       ALA   5  10.545   4.216   4.216
   44    HA   ALA   5           HA       ALA   5  10.321   2.956   2.956
   45   1HB   ALA   5           HB3      ALA   5  12.044   4.773   4.773
   46   2HB   ALA   5           HB1      ALA   5  11.114   5.796   5.796
   47   3HB   ALA   5           HB2      ALA   5  11.983   4.396   4.396
   48    H    ARG   6           HN       ARG   6   8.873   5.906   5.906
   49    HA   ARG   6           HA       ARG   6   7.246   6.275   6.275
   50   1HB   ARG   6           HB1      ARG   6   6.305   8.226   8.226
   51   2HB   ARG   6           HB2      ARG   6   7.926   8.364   8.364
   52   1HG   ARG   6           HG1      ARG   6   7.707   7.043   7.043
   53   2HG   ARG   6           HG2      ARG   6   7.408   8.782   8.782
   54   1HD   ARG   6           HD1      ARG   6   9.845   7.440   7.440
   55   2HD   ARG   6           HD2      ARG   6   9.812   8.193   8.193
   56    HE   ARG   6           HE       ARG   6   8.906  10.205  10.205
   57   1HH1  ARG   6          HH11      ARG   6  11.016   7.985   7.985
   58   2HH1  ARG   6          HH12      ARG   6  12.304   9.103   9.103
   59   1HH2  ARG   6          HH21      ARG   6  10.813  11.698  11.698
   60   2HH2  ARG   6          HH22      ARG   6  12.188  11.206  11.206
   61    H    VAL   7           HN       VAL   7   6.974   4.172   4.172
   62    HA   VAL   7           HA       VAL   7   4.186   4.681   4.681
   63    HB   VAL   7           HB       VAL   7   6.069   2.404   2.404
   64   1HG1  VAL   7          HG11      VAL   7   3.173   2.902   2.902
   65   2HG1  VAL   7          HG12      VAL   7   4.175   2.130   2.130
   66   3HG1  VAL   7          HG13      VAL   7   3.994   1.382   1.382
   67   1HG2  VAL   7          HG21      VAL   7   5.774   5.051   5.051
   68   2HG2  VAL   7          HG22      VAL   7   6.789   3.758   3.758
   69   3HG2  VAL   7          HG23      VAL   7   5.136   3.949   3.949
   70    H    GLU   8           HN       GLU   8   6.024   2.582   2.582
   71    HA   GLU   8           HA       GLU   8   3.865   0.794   0.794
   72   1HB   GLU   8           HB1      GLU   8   6.577   1.106   1.106
   73   2HB   GLU   8           HB2      GLU   8   5.641   1.195   1.195
   74   1HG   GLU   8           HG1      GLU   8   5.562  -1.065  -1.065
   75   2HG   GLU   8           HG2      GLU   8   4.440  -0.882  -0.882
   76    H    GLN   9           HN       GLN   9   5.224   3.500   3.500
   77    HA   GLN   9           HA       GLN   9   3.245   3.606   3.606
   78   1HB   GLN   9           HB1      GLN   9   4.977   5.697   5.697
   79   2HB   GLN   9           HB2      GLN   9   3.730   6.193   6.193
   80   1HG   GLN   9           HG1      GLN   9   5.322   5.772   5.772
   81   2HG   GLN   9           HG2      GLN   9   4.882   4.083   4.083
   82   1HE2  GLN   9          HE22      GLN   9   8.499   5.446   5.446
   83   2HE2  GLN   9          HE21      GLN   9   7.374   6.492   6.492
   84    H    GLU  10           HN       GLU  10   3.070   4.600   4.600
   85    HA   GLU  10           HA       GLU  10   0.771   6.279   6.279
   86   1HB   GLU  10           HB1      GLU  10   2.450   5.619   5.619
   87   2HB   GLU  10           HB2      GLU  10   1.094   4.565   4.565
   88   1HG   GLU  10           HG1      GLU  10  -0.349   6.718   6.718
   89   2HG   GLU  10           HG2      GLU  10   1.179   7.569   7.569
   90    H    LEU  11           HN       LEU  11   0.857   2.916   2.916
   91    HA   LEU  11           HA       LEU  11  -1.979   2.621   2.621
   92   1HB   LEU  11           HB1      LEU  11  -1.615   0.296   0.296
   93   2HB   LEU  11           HB2      LEU  11  -0.982   1.519   1.519
   94    HG   LEU  11           HG       LEU  11   0.933   0.945   0.945
   95   1HD1  LEU  11          HD12      LEU  11  -0.518  -1.279  -1.279
   96   2HD1  LEU  11          HD13      LEU  11   0.488  -1.493  -1.493
   97   3HD1  LEU  11          HD11      LEU  11   1.237  -1.356  -1.356
   98   1HD2  LEU  11          HD23      LEU  11   1.269   1.895   1.895
   99   2HD2  LEU  11          HD21      LEU  11   2.394   0.605   0.605
  100   3HD2  LEU  11          HD22      LEU  11   1.023   0.266   0.266
  101    H    GLN  12           HN       GLN  12   0.425   2.716   2.716
  102    HA   GLN  12           HA       GLN  12   0.080   0.295   0.295
  103   1HB   GLN  12           HB1      GLN  12   1.611   2.700   2.700
  104   2HB   GLN  12           HB2      GLN  12   0.766   2.462   2.462
  105   1HG   GLN  12           HG1      GLN  12   1.675  -0.090  -0.090
  106   2HG   GLN  12           HG2      GLN  12   3.016   0.989   0.989
  107   1HE2  GLN  12          HE22      GLN  12   3.936   1.089   1.089
  108   2HE2  GLN  12          HE21      GLN  12   4.416   0.992   0.992
  109    H    ALA  13           HN       ALA  13  -1.369   3.548   3.548
  110    HA   ALA  13           HA       ALA  13  -2.982   2.930   2.930
  111   1HB   ALA  13           HB1      ALA  13  -3.329   4.973   4.973
  112   2HB   ALA  13           HB2      ALA  13  -4.320   4.922   4.922
  113   3HB   ALA  13           HB3      ALA  13  -2.588   5.236   5.236
  114    H    LEU  14           HN       LEU  14  -3.235   2.014   2.014
  115    HA   LEU  14           HA       LEU  14  -6.131   1.629   1.629
  116   1HB   LEU  14           HB1      LEU  14  -4.184   1.781   1.781
  117   2HB   LEU  14           HB2      LEU  14  -4.639   0.077   0.077
  118    HG   LEU  14           HG       LEU  14  -7.089   1.263   1.263
  119   1HD1  LEU  14          HD11      LEU  14  -6.110   3.519   3.519
  120   2HD1  LEU  14          HD12      LEU  14  -5.369   3.051   3.051
  121   3HD1  LEU  14          HD13      LEU  14  -7.125   3.137   3.137
  122   1HD2  LEU  14          HD23      LEU  14  -6.306  -0.504  -0.504
  123   2HD2  LEU  14          HD21      LEU  14  -7.349   0.704   0.704
  124   3HD2  LEU  14          HD22      LEU  14  -5.604   0.771   0.771
  125    H    GLU  15           HN       GLU  15  -3.386  -0.670  -0.670
  126    HA   GLU  15           HA       GLU  15  -5.089  -2.913  -2.913
  127   1HB   GLU  15           HB1      GLU  15  -2.953  -4.188  -4.188
  128   2HB   GLU  15           HB2      GLU  15  -3.143  -3.251  -3.251
  129   1HG   GLU  15           HG1      GLU  15  -1.663  -1.527  -1.527
  130   2HG   GLU  15           HG2      GLU  15  -1.615  -2.266  -2.266
  131    H    ALA  16           HN       ALA  16  -3.744  -0.437  -0.437
  132    HA   ALA  16           HA       ALA  16  -3.115  -2.069  -2.069
  133   1HB   ALA  16           HB2      ALA  16  -3.114   0.901   0.901
  134   2HB   ALA  16           HB3      ALA  16  -2.834   0.248   0.248
  135   3HB   ALA  16           HB1      ALA  16  -1.729  -0.149  -0.149
  136    H    ARG  17           HN       ARG  17  -5.893  -0.711  -0.711
  137    HA   ARG  17           HA       ARG  17  -7.270  -0.337  -0.337
  138   1HB   ARG  17           HB1      ARG  17  -7.595   0.710   0.710
  139   2HB   ARG  17           HB2      ARG  17  -9.075  -0.146  -0.146
  140   1HG   ARG  17           HG1      ARG  17  -9.014   1.111   1.111
  141   2HG   ARG  17           HG2      ARG  17  -7.718   2.094   2.094
  142   1HD   ARG  17           HD1      ARG  17 -10.521   1.786   1.786
  143   2HD   ARG  17           HD2      ARG  17  -9.871   3.218   3.218
  144    HE   ARG  17           HE       ARG  17  -8.140   2.646   2.646
  145   1HH1  ARG  17          HH11      ARG  17 -10.388   1.886   1.886
  146   2HH1  ARG  17          HH12      ARG  17 -11.049   3.391   3.391
  147   1HH2  ARG  17          HH21      ARG  17  -9.443   5.282   5.282
  148   2HH2  ARG  17          HH22      ARG  17 -10.514   5.313   5.313
  149    H    GLY  18           HN       GLY  18  -6.341  -3.009  -3.009
  150   1HA   GLY  18           HA1      GLY  18  -7.200  -5.186  -5.186
  151   2HA   GLY  18           HA2      GLY  18  -8.278  -4.703  -4.703
  152    H    THR  19           HN       THR  19  -7.990  -5.195  -5.195
  153    HA   THR  19           HA       THR  19 -10.941  -5.127  -5.127
  154    HB   THR  19           HB       THR  19  -9.868  -3.873  -3.873
  155    HG1  THR  19           HG1      THR  19  -8.880  -2.141  -2.141
  156   1HG2  THR  19          HG22      THR  19 -12.014  -3.582  -3.582
  157   2HG2  THR  19          HG23      THR  19 -11.363  -2.013  -2.013
  158   3HG2  THR  19          HG21      THR  19 -11.977  -3.122  -3.122
  159    H    ASP  20           HN       ASP  20  -9.936  -7.478  -7.478
  160    HA   ASP  20           HA       ASP  20  -9.285  -9.383  -9.383
  161   1HB   ASP  20           HB1      ASP  20 -11.676  -8.577  -8.577
  162   2HB   ASP  20           HB2      ASP  20 -10.799  -8.256  -8.256
  163    H    SER  21           HN       SER  21  -7.287  -7.484  -7.484
  164    HA   SER  21           HA       SER  21  -6.512  -7.068  -7.068
  165   1HB   SER  21           HB1      SER  21  -4.638  -5.845  -5.845
  166   2HB   SER  21           HB2      SER  21  -6.038  -5.404  -5.404
  167    HG   SER  21           HG       SER  21  -5.321  -6.575  -6.575
  168    H    ASN  22           HN       ASN  22  -6.505  -9.717  -9.717
  169    HA   ASN  22           HA       ASN  22  -3.778 -10.638 -10.638
  170   1HB   ASN  22           HB1      ASN  22  -5.143 -11.123 -11.123
  171   2HB   ASN  22           HB2      ASN  22  -5.889 -12.390 -12.390
  172   1HD2  ASN  22          HD22      ASN  22  -1.806 -12.673 -12.673
  173   2HD2  ASN  22          HD21      ASN  22  -2.500 -11.148 -11.148
  174    H    ALA  23           HN       ALA  23  -6.035 -10.136 -10.136
  175    HA   ALA  23           HA       ALA  23  -5.838 -12.785 -12.785
  176   1HB   ALA  23           HB3      ALA  23  -8.240 -10.941 -10.941
  177   2HB   ALA  23           HB1      ALA  23  -8.125 -12.443 -12.443
  178   3HB   ALA  23           HB2      ALA  23  -8.111 -12.482 -12.482
  179    H    GLU  24           HN       GLU  24  -6.405  -9.292  -9.292
  180    HA   GLU  24           HA       GLU  24  -5.785  -9.470  -9.470
  181   1HB   GLU  24           HB1      GLU  24  -6.086  -6.943  -6.943
  182   2HB   GLU  24           HB2      GLU  24  -6.341  -7.156  -7.156
  183   1HG   GLU  24           HG1      GLU  24  -8.451  -7.947  -7.947
  184   2HG   GLU  24           HG2      GLU  24  -7.986  -8.929  -8.929
  185    H    LEU  25           HN       LEU  25  -3.763 -10.000 -10.000
  186    HA   LEU  25           HA       LEU  25  -1.795  -7.913  -7.913
  187   1HB   LEU  25           HB1      LEU  25  -1.775 -10.806 -10.806
  188   2HB   LEU  25           HB2      LEU  25  -0.248  -9.935  -9.935
  189    HG   LEU  25           HG       LEU  25  -2.400  -8.528  -8.528
  190   1HD1  LEU  25          HD11      LEU  25  -2.645 -10.880 -10.880
  191   2HD1  LEU  25          HD12      LEU  25  -0.930 -10.899 -10.899
  192   3HD1  LEU  25          HD13      LEU  25  -2.031  -9.818  -9.818
  193   1HD2  LEU  25          HD22      LEU  25   0.521  -8.653  -8.653
  194   2HD2  LEU  25          HD23      LEU  25  -0.511  -7.329  -7.329
  195   3HD2  LEU  25          HD21      LEU  25  -0.051  -8.608  -8.608
  196    H    ARG  26           HN       ARG  26  -2.471 -10.708 -10.708
  197    HA   ARG  26           HA       ARG  26   0.023 -10.481 -10.481
  198   1HB   ARG  26           HB1      ARG  26  -2.497 -11.937 -11.937
  199   2HB   ARG  26           HB2      ARG  26  -0.845 -12.258 -12.258
  200   1HG   ARG  26           HG1      ARG  26  -1.608 -12.428 -12.428
  201   2HG   ARG  26           HG2      ARG  26  -1.853 -13.797 -13.797
  202   1HD   ARG  26           HD1      ARG  26   0.295 -14.269 -14.269
  203   2HD   ARG  26           HD2      ARG  26   0.677 -13.219 -13.219
  204    HE   ARG  26           HE       ARG  26   1.216 -11.456 -11.456
  205   1HH1  ARG  26          HH21      ARG  26  -0.584 -13.822 -13.822
  206   2HH1  ARG  26          HH22      ARG  26   0.262 -13.650 -13.650
  207   1HH2  ARG  26          HH11      ARG  26   2.618 -11.450 -11.450
  208   2HH2  ARG  26          HH12      ARG  26   2.071 -12.304 -12.304
  209    H    ALA  27           HN       ALA  27  -3.307  -9.362  -9.362
  210    HA   ALA  27           HA       ALA  27  -2.919  -8.421  -8.421
  211   1HB   ALA  27           HB3      ALA  27  -5.131  -8.972  -8.972
  212   2HB   ALA  27           HB1      ALA  27  -5.034  -7.249  -7.249
  213   3HB   ALA  27           HB2      ALA  27  -5.139  -7.793  -7.793
  214    H    MET  28           HN       MET  28  -2.390  -7.105  -7.105
  215    HA   MET  28           HA       MET  28  -2.379  -4.324  -4.324
  216   1HB   MET  28           HB1      MET  28  -2.435  -5.201  -5.201
  217   2HB   MET  28           HB2      MET  28  -0.756  -5.708  -5.708
  218   1HG   MET  28           HG1      MET  28   0.029  -3.503  -3.503
  219   2HG   MET  28           HG2      MET  28  -1.542  -2.864  -2.864
  220   1HE   MET  28           HE3      MET  28  -0.137  -5.251  -5.251
  221   2HE   MET  28           HE1      MET  28   0.673  -3.924  -3.924
  222   3HE   MET  28           HE2      MET  28  -0.667  -4.771  -4.771
  223    H    GLU  29           HN       GLU  29   0.016  -6.872  -6.872
  224    HA   GLU  29           HA       GLU  29   2.317  -5.225  -5.225
  225   1HB   GLU  29           HB1      GLU  29   1.637  -8.010  -8.010
  226   2HB   GLU  29           HB2      GLU  29   2.554  -7.500  -7.500
  227   1HG   GLU  29           HG1      GLU  29   4.157  -6.372  -6.372
  228   2HG   GLU  29           HG2      GLU  29   3.358  -7.369  -7.369
  229    H    ALA  30           HN       ALA  30  -0.021  -6.557  -6.557
  230    HA   ALA  30           HA       ALA  30   1.232  -5.424  -5.424
  231   1HB   ALA  30           HB2      ALA  30  -1.457  -6.555  -6.555
  232   2HB   ALA  30           HB3      ALA  30  -1.284  -5.623  -5.623
  233   3HB   ALA  30           HB1      ALA  30  -0.294  -7.059  -7.059
  234    H    LYS  31           HN       LYS  31  -1.558  -4.285  -4.285
  235    HA   LYS  31           HA       LYS  31  -1.908  -1.856  -1.856
  236   1HB   LYS  31           HB1      LYS  31  -2.833  -2.946  -2.946
  237   2HB   LYS  31           HB2      LYS  31  -2.896  -1.193  -1.193
  238   1HG   LYS  31           HG1      LYS  31  -4.251  -1.401  -1.401
  239   2HG   LYS  31           HG2      LYS  31  -4.054  -3.154  -3.154
  240   1HD   LYS  31           HD1      LYS  31  -5.852  -3.353  -3.353
  241   2HD   LYS  31           HD2      LYS  31  -5.042  -2.381  -2.381
  242   1HE   LYS  31           HE1      LYS  31  -5.804  -0.453  -0.453
  243   2HE   LYS  31           HE2      LYS  31  -7.125  -1.609  -1.609
  244   1HZ   LYS  31           HZ2      LYS  31  -7.116  -1.604  -1.604
  245   2HZ   LYS  31           HZ3      LYS  31  -6.228  -0.162  -0.162
  246   3HZ   LYS  31           HZ1      LYS  31  -7.786  -0.261  -0.261
  247    H    LEU  32           HN       LEU  32   0.545  -2.812  -2.812
  248    HA   LEU  32           HA       LEU  32   1.155  -0.340  -0.340
  249   1HB   LEU  32           HB1      LEU  32   2.175  -2.464  -2.464
  250   2HB   LEU  32           HB2      LEU  32   3.019  -2.577  -2.577
  251    HG   LEU  32           HG       LEU  32   4.194  -0.453  -0.453
  252   1HD1  LEU  32          HD12      LEU  32   2.549  -0.652  -0.652
  253   2HD1  LEU  32          HD13      LEU  32   4.027   0.307   0.307
  254   3HD1  LEU  32          HD11      LEU  32   2.661   0.703   0.703
  255   1HD2  LEU  32          HD23      LEU  32   4.393  -2.901  -2.901
  256   2HD2  LEU  32          HD21      LEU  32   5.631  -2.087  -2.087
  257   3HD2  LEU  32          HD22      LEU  32   5.219  -1.486  -1.486
  258    H    LYS  33           HN       LYS  33   2.323  -1.729  -1.729
  259    HA   LYS  33           HA       LYS  33   3.938   0.592   0.592
  260   1HB   LYS  33           HB1      LYS  33   3.769  -2.014  -2.014
  261   2HB   LYS  33           HB2      LYS  33   3.142  -1.050  -1.050
  262   1HG   LYS  33           HG1      LYS  33   5.160   0.393   0.393
  263   2HG   LYS  33           HG2      LYS  33   5.790  -0.627  -0.627
  264   1HD   LYS  33           HD1      LYS  33   6.158  -2.435  -2.435
  265   2HD   LYS  33           HD2      LYS  33   4.957  -1.883  -1.883
  266   1HE   LYS  33           HE1      LYS  33   7.010  -1.396  -1.396
  267   2HE   LYS  33           HE2      LYS  33   6.546   0.147   0.147
  268   1HZ   LYS  33           HZ2      LYS  33   7.912  -0.480  -0.480
  269   2HZ   LYS  33           HZ3      LYS  33   8.469  -1.832  -1.832
  270   3HZ   LYS  33           HZ1      LYS  33   8.813  -0.268  -0.268
  271    H    ALA  34           HN       ALA  34   0.675   0.314   0.314
  272    HA   ALA  34           HA       ALA  34   0.044   1.715   1.715
  273   1HB   ALA  34           HB1      ALA  34  -1.386  -0.015  -0.015
  274   2HB   ALA  34           HB2      ALA  34  -2.017   1.532   1.532
  275   3HB   ALA  34           HB3      ALA  34  -2.116   1.111   1.111
  276    H    GLU  35           HN       GLU  35  -0.131   2.411   2.411
  277    HA   GLU  35           HA       GLU  35  -0.877   5.183   5.183
  278   1HB   GLU  35           HB1      GLU  35  -1.217   3.659   3.659
  279   2HB   GLU  35           HB2      GLU  35   0.402   4.213   4.213
  280   1HG   GLU  35           HG1      GLU  35  -1.505   6.308   6.308
  281   2HG   GLU  35           HG2      GLU  35  -1.846   5.570   5.570
  282    H    ILE  36           HN       ILE  36   2.131   3.448   3.448
  283    HA   ILE  36           HA       ILE  36   3.829   5.640   5.640
  284    HB   ILE  36           HB       ILE  36   4.450   3.170   3.170
  285   1HG1  ILE  36          HG11      ILE  36   6.241   5.165   5.165
  286   2HG1  ILE  36          HG12      ILE  36   6.140   4.917   4.917
  287   1HG2  ILE  36          HG22      ILE  36   3.542   2.880   2.880
  288   2HG2  ILE  36          HG23      ILE  36   4.994   3.710   3.710
  289   3HG2  ILE  36          HG21      ILE  36   5.131   2.176   2.176
  290   1HD1  ILE  36          HD12      ILE  36   6.592   2.367   2.367
  291   2HD1  ILE  36          HD13      ILE  36   7.714   3.477   3.477
  292   3HD1  ILE  36          HD11      ILE  36   7.717   3.319   3.319
  293    H    GLN  37           HN       GLN  37   2.725   4.390   4.390
  294    HA   GLN  37           HA       GLN  37   4.256   5.944   5.944
  295   1HB   GLN  37           HB1      GLN  37   1.732   4.533   4.533
  296   2HB   GLN  37           HB2      GLN  37   1.643   6.031   6.031
  297   1HG   GLN  37           HG1      GLN  37   3.409   5.401   5.401
  298   2HG   GLN  37           HG2      GLN  37   4.033   4.216   4.216
  299   1HE2  GLN  37          HE22      GLN  37   2.209   1.614   1.614
  300   2HE2  GLN  37          HE21      GLN  37   3.566   2.101   2.101
  301    H    LYS  38           HN       LYS  38   1.149   6.901   6.901
  302    HA   LYS  38           HA       LYS  38   1.191   9.563   9.563
  303   1HB   LYS  38           HB1      LYS  38  -0.355   8.073   8.073
  304   2HB   LYS  38           HB2      LYS  38  -0.267   9.816   9.816
  305   1HG   LYS  38           HG1      LYS  38  -0.721   9.427   9.427
  306   2HG   LYS  38           HG2      LYS  38  -1.836   8.355   8.355
  307   1HD   LYS  38           HD1      LYS  38  -3.096  10.096  10.096
  308   2HD   LYS  38           HD2      LYS  38  -1.679  10.962  10.962
  309   1HE   LYS  38           HE1      LYS  38  -1.251  11.923  11.923
  310   2HE   LYS  38           HE2      LYS  38  -2.365  10.815  10.815
  311   1HZ   LYS  38           HZ2      LYS  38  -4.042  11.908  11.908
  312   2HZ   LYS  38           HZ3      LYS  38  -2.936  13.196  13.196
  313   3HZ   LYS  38           HZ1      LYS  38  -3.685  12.638  12.638
  314   1HN   NH2  39          1HN       NH2  39   1.415   9.144   9.144
  315   2HN   NH2  39          2HN       NH2  39   3.093   9.404   9.404

  Start of MODEL    7
    1   1H2   SIN   0          1H2       SIN   0 -16.070   0.152   0.152
    2   2H2   SIN   0          2H2       SIN   0 -16.798   0.495   0.495
    3   1H3   SIN   0          1H3       SIN   0 -13.927  -0.273  -0.273
    4   2H3   SIN   0          2H3       SIN   0 -14.307   1.308   1.308
    5    H    ASP   1           HN       ASP   1 -14.282   2.838   2.838
    6    HA   ASP   1           HA       ASP   1 -12.318   0.806   0.806
    7   1HB   ASP   1           HB1      ASP   1 -11.156   1.299   1.299
    8   2HB   ASP   1           HB2      ASP   1 -12.579   0.255   0.255
    9    H    TRP   2           HN       TRP   2 -13.236   3.971   3.971
   10    HA   TRP   2           HA       TRP   2 -10.936   5.484   5.484
   11   1HB   TRP   2           HB1      TRP   2 -11.830   7.120   7.120
   12   2HB   TRP   2           HB2      TRP   2 -13.181   6.394   6.394
   13    HD1  TRP   2           HD1      TRP   2 -14.467   4.376   4.376
   14    HE1  TRP   2           HE1      TRP   2 -14.957   4.067   4.067
   15    HE3  TRP   2           HE3      TRP   2 -11.006   7.563   7.563
   16    HZ2  TRP   2           HZ2      TRP   2 -13.983   5.055   5.055
   17    HZ3  TRP   2           HZ3      TRP   2 -10.802   7.868   7.868
   18    HH2  TRP   2           HH2      TRP   2 -12.287   6.616   6.616
   19    H    LEU   3           HN       LEU   3 -11.730   3.429   3.429
   20    HA   LEU   3           HA       LEU   3  -9.732   4.327   4.327
   21   1HB   LEU   3           HB1      LEU   3 -11.565   2.173   2.173
   22   2HB   LEU   3           HB2      LEU   3  -9.972   1.469   1.469
   23    HG   LEU   3           HG       LEU   3 -10.062   3.780   3.780
   24   1HD1  LEU   3          HD11      LEU   3 -12.639   3.413   3.413
   25   2HD1  LEU   3          HD12      LEU   3 -12.498   2.199   2.199
   26   3HD1  LEU   3          HD13      LEU   3 -12.113   3.886   3.886
   27   1HD2  LEU   3          HD21      LEU   3  -9.522   1.044   1.044
   28   2HD2  LEU   3          HD22      LEU   3  -9.278   2.269   2.269
   29   3HD2  LEU   3          HD23      LEU   3 -10.782   1.348   1.348
   30    H    LYS   4           HN       LYS   4  -9.500   2.078   2.078
   31    HA   LYS   4           HA       LYS   4  -6.961   0.988   0.988
   32   1HB   LYS   4           HB1      LYS   4  -8.688   1.272   1.272
   33   2HB   LYS   4           HB2      LYS   4  -7.142   1.949   1.949
   34   1HG   LYS   4           HG1      LYS   4  -7.123  -0.425  -0.425
   35   2HG   LYS   4           HG2      LYS   4  -6.029  -0.138  -0.138
   36   1HD   LYS   4           HD1      LYS   4  -7.225  -1.563  -1.563
   37   2HD   LYS   4           HD2      LYS   4  -8.659  -0.559  -0.559
   38   1HE   LYS   4           HE1      LYS   4  -7.727  -2.894  -2.894
   39   2HE   LYS   4           HE2      LYS   4  -9.280  -2.679  -2.679
   40   1HZ   LYS   4           HZ1      LYS   4  -9.157  -0.525  -0.525
   41   2HZ   LYS   4           HZ2      LYS   4  -8.387  -1.705  -1.705
   42   3HZ   LYS   4           HZ3      LYS   4  -9.964  -1.968  -1.968
   43    H    ALA   5           HN       ALA   5  -7.848   4.223   4.223
   44    HA   ALA   5           HA       ALA   5  -5.116   5.122   5.122
   45   1HB   ALA   5           HB3      ALA   5  -7.790   6.503   6.503
   46   2HB   ALA   5           HB1      ALA   5  -6.292   7.431   7.431
   47   3HB   ALA   5           HB2      ALA   5  -6.748   6.396   6.396
   48    H    ARG   6           HN       ARG   6  -7.484   5.232   5.232
   49    HA   ARG   6           HA       ARG   6  -6.165   6.906   6.906
   50   1HB   ARG   6           HB1      ARG   6  -7.832   4.412   4.412
   51   2HB   ARG   6           HB2      ARG   6  -7.221   5.357   5.357
   52   1HG   ARG   6           HG1      ARG   6  -8.685   6.767   6.767
   53   2HG   ARG   6           HG2      ARG   6  -9.612   5.863   5.863
   54   1HD   ARG   6           HD1      ARG   6  -8.964   8.425   8.425
   55   2HD   ARG   6           HD2      ARG   6  -9.021   7.279   7.279
   56    HE   ARG   6           HE       ARG   6  -6.524   7.058   7.058
   57   1HH1  ARG   6          HH21      ARG   6  -6.981   8.823   8.823
   58   2HH1  ARG   6          HH22      ARG   6  -6.147  10.255  10.255
   59   1HH2  ARG   6          HH11      ARG   6  -5.963   9.294   9.294
   60   2HH2  ARG   6          HH12      ARG   6  -5.570  10.521  10.521
   61    H    VAL   7           HN       VAL   7  -5.544   3.526   3.526
   62    HA   VAL   7           HA       VAL   7  -3.548   3.177   3.177
   63    HB   VAL   7           HB       VAL   7  -3.810   1.427   1.427
   64   1HG1  VAL   7          HG13      VAL   7  -2.100   1.015   1.015
   65   2HG1  VAL   7          HG11      VAL   7  -3.438   0.772   0.772
   66   3HG1  VAL   7          HG12      VAL   7  -3.227  -0.319  -0.319
   67   1HG2  VAL   7          HG22      VAL   7  -5.784   1.807   1.807
   68   2HG2  VAL   7          HG23      VAL   7  -6.096   1.661   1.661
   69   3HG2  VAL   7          HG21      VAL   7  -5.622   0.241   0.241
   70    H    GLU   8           HN       GLU   8  -3.570   4.018   4.018
   71    HA   GLU   8           HA       GLU   8  -0.785   3.632   3.632
   72   1HB   GLU   8           HB1      GLU   8  -3.041   5.034   5.034
   73   2HB   GLU   8           HB2      GLU   8  -1.454   5.722   5.722
   74   1HG   GLU   8           HG1      GLU   8  -0.637   3.571   3.571
   75   2HG   GLU   8           HG2      GLU   8  -2.132   2.778   2.778
   76    H    GLN   9           HN       GLN   9  -2.495   6.726   6.726
   77    HA   GLN   9           HA       GLN   9  -0.237   8.357   8.357
   78   1HB   GLN   9           HB1      GLN   9  -2.633   9.124   9.124
   79   2HB   GLN   9           HB2      GLN   9  -2.742   8.572   8.572
   80   1HG   GLN   9           HG1      GLN   9  -2.136  10.770  10.770
   81   2HG   GLN   9           HG2      GLN   9  -0.528  10.057  10.057
   82   1HE2  GLN   9          HE22      GLN   9   0.142  12.401  12.401
   83   2HE2  GLN   9          HE21      GLN   9   0.599  11.757  11.757
   84    H    GLU  10           HN       GLU  10  -1.632   6.117   6.117
   85    HA   GLU  10           HA       GLU  10  -0.153   7.023   7.023
   86   1HB   GLU  10           HB1      GLU  10  -1.952   4.880   4.880
   87   2HB   GLU  10           HB2      GLU  10  -0.545   4.214   4.214
   88   1HG   GLU  10           HG1      GLU  10  -0.866   6.199   6.199
   89   2HG   GLU  10           HG2      GLU  10  -2.484   6.315   6.315
   90    H    LEU  11           HN       LEU  11   0.459   4.200   4.200
   91    HA   LEU  11           HA       LEU  11   2.976   3.519   3.519
   92   1HB   LEU  11           HB1      LEU  11   1.956   3.208   3.208
   93   2HB   LEU  11           HB2      LEU  11   3.401   2.418   2.418
   94    HG   LEU  11           HG       LEU  11   0.667   2.126   2.126
   95   1HD1  LEU  11          HD11      LEU  11   1.917   0.747   0.747
   96   2HD1  LEU  11          HD12      LEU  11   1.110  -0.279  -0.279
   97   3HD1  LEU  11          HD13      LEU  11   0.213   1.003   1.003
   98   1HD2  LEU  11          HD21      LEU  11   3.344   1.364   1.364
   99   2HD2  LEU  11          HD22      LEU  11   1.848   1.067   1.067
  100   3HD2  LEU  11          HD23      LEU  11   2.405  -0.094  -0.094
  101    H    GLN  12           HN       GLN  12   2.087   6.160   6.160
  102    HA   GLN  12           HA       GLN  12   4.603   6.668   6.668
  103   1HB   GLN  12           HB1      GLN  12   2.159   7.834   7.834
  104   2HB   GLN  12           HB2      GLN  12   3.005   9.020   9.020
  105   1HG   GLN  12           HG1      GLN  12   4.389   9.646   9.646
  106   2HG   GLN  12           HG2      GLN  12   4.521   8.003   8.003
  107   1HE2  GLN  12          HE22      GLN  12   2.395   8.977   8.977
  108   2HE2  GLN  12          HE21      GLN  12   3.893   8.326   8.326
  109    H    ALA  13           HN       ALA  13   3.240   8.051   8.051
  110    HA   ALA  13           HA       ALA  13   5.741   9.366   9.366
  111   1HB   ALA  13           HB3      ALA  13   3.238   9.867   9.867
  112   2HB   ALA  13           HB1      ALA  13   3.646   8.778   8.778
  113   3HB   ALA  13           HB2      ALA  13   4.585  10.250  10.250
  114    H    LEU  14           HN       LEU  14   4.276   6.255   6.255
  115    HA   LEU  14           HA       LEU  14   5.851   5.565   5.565
  116   1HB   LEU  14           HB1      LEU  14   3.839   4.339   4.339
  117   2HB   LEU  14           HB2      LEU  14   5.230   3.362   3.362
  118    HG   LEU  14           HG       LEU  14   5.629   3.690   3.690
  119   1HD1  LEU  14          HD13      LEU  14   3.219   4.690   4.690
  120   2HD1  LEU  14          HD11      LEU  14   2.708   3.014   3.014
  121   3HD1  LEU  14          HD12      LEU  14   3.598   3.497   3.497
  122   1HD2  LEU  14          HD22      LEU  14   4.159   1.496   1.496
  123   2HD2  LEU  14          HD23      LEU  14   5.896   1.593   1.593
  124   3HD2  LEU  14          HD21      LEU  14   4.793   1.328   1.328
  125    H    GLU  15           HN       GLU  15   6.444   5.111   5.111
  126    HA   GLU  15           HA       GLU  15   9.017   3.815   3.815
  127   1HB   GLU  15           HB1      GLU  15   9.272   3.877   3.877
  128   2HB   GLU  15           HB2      GLU  15   7.634   3.356   3.356
  129   1HG   GLU  15           HG1      GLU  15   6.686   5.353   5.353
  130   2HG   GLU  15           HG2      GLU  15   8.150   6.283   6.283
  131    H    ALA  16           HN       ALA  16   7.879   7.062   7.062
  132    HA   ALA  16           HA       ALA  16  10.040   8.479   8.479
  133   1HB   ALA  16           HB1      ALA  16   7.836   9.372   9.372
  134   2HB   ALA  16           HB2      ALA  16   8.684   9.348   9.348
  135   3HB   ALA  16           HB3      ALA  16   9.283  10.354  10.354
  136    H    ARG  17           HN       ARG  17   9.653   7.627   7.627
  137    HA   ARG  17           HA       ARG  17  12.613   7.346   7.346
  138   1HB   ARG  17           HB1      ARG  17  10.962   9.390   9.390
  139   2HB   ARG  17           HB2      ARG  17  11.985   8.485   8.485
  140   1HG   ARG  17           HG1      ARG  17  13.968   9.049   9.049
  141   2HG   ARG  17           HG2      ARG  17  13.018   9.712   9.712
  142   1HD   ARG  17           HD1      ARG  17  12.200  11.511  11.511
  143   2HD   ARG  17           HD2      ARG  17  13.045  10.817  10.817
  144    HE   ARG  17           HE       ARG  17  14.412  12.023  12.023
  145   1HH1  ARG  17          HH21      ARG  17  14.876  10.213  10.213
  146   2HH1  ARG  17          HH22      ARG  17  16.155  11.199  11.199
  147   1HH2  ARG  17          HH11      ARG  17  15.821  13.642  13.642
  148   2HH2  ARG  17          HH12      ARG  17  16.691  13.140  13.140
  149    H    GLY  18           HN       GLY  18  11.476   5.069   5.069
  150   1HA   GLY  18           HA1      GLY  18  10.277   4.197   4.197
  151   2HA   GLY  18           HA2      GLY  18  10.603   3.174   3.174
  152    H    THR  19           HN       THR  19  12.210   1.721   1.721
  153    HA   THR  19           HA       THR  19  14.800   2.244   2.244
  154    HB   THR  19           HB       THR  19  14.131   2.839   2.839
  155    HG1  THR  19           HG1      THR  19  15.513   0.831   0.831
  156   1HG2  THR  19          HG23      THR  19  11.924   0.931   0.931
  157   2HG2  THR  19          HG21      THR  19  12.429   1.076   1.076
  158   3HG2  THR  19          HG22      THR  19  11.880   2.501   2.501
  159    H    ASP  20           HN       ASP  20  15.120   0.650   0.650
  160    HA   ASP  20           HA       ASP  20  15.510  -1.537  -1.537
  161   1HB   ASP  20           HB1      ASP  20  15.417  -1.770  -1.770
  162   2HB   ASP  20           HB2      ASP  20  15.176  -3.269  -3.269
  163    H    SER  21           HN       SER  21  13.202  -0.860  -0.860
  164    HA   SER  21           HA       SER  21  11.581  -3.202  -3.202
  165   1HB   SER  21           HB1      SER  21  10.751  -0.977  -0.977
  166   2HB   SER  21           HB2      SER  21   9.532  -1.980  -1.980
  167    HG   SER  21           HG       SER  21  10.042  -3.593  -3.593
  168    H    ASN  22           HN       ASN  22  12.680  -1.469  -1.469
  169    HA   ASN  22           HA       ASN  22  10.329   0.020   0.020
  170   1HB   ASN  22           HB1      ASN  22  11.863   1.143   1.143
  171   2HB   ASN  22           HB2      ASN  22  12.616   1.109   1.109
  172   1HD2  ASN  22          HD21      ASN  22  12.938   0.052   0.052
  173   2HD2  ASN  22          HD22      ASN  22  14.377  -0.826  -0.826
  174    H    ALA  23           HN       ALA  23  11.061  -2.990  -2.990
  175    HA   ALA  23           HA       ALA  23  10.571  -3.378  -3.378
  176   1HB   ALA  23           HB3      ALA  23  12.242  -4.941  -4.941
  177   2HB   ALA  23           HB1      ALA  23  11.590  -5.721  -5.721
  178   3HB   ALA  23           HB2      ALA  23  12.683  -4.346  -4.346
  179    H    GLU  24           HN       GLU  24   9.887  -4.562  -4.562
  180    HA   GLU  24           HA       GLU  24   8.019  -6.581  -6.581
  181   1HB   GLU  24           HB1      GLU  24   8.231  -4.820  -4.820
  182   2HB   GLU  24           HB2      GLU  24   7.087  -6.155  -6.155
  183   1HG   GLU  24           HG1      GLU  24   8.793  -7.399  -7.399
  184   2HG   GLU  24           HG2      GLU  24   9.417  -7.359  -7.359
  185    H    LEU  25           HN       LEU  25   7.798  -3.157  -3.157
  186    HA   LEU  25           HA       LEU  25   5.054  -2.671  -2.671
  187   1HB   LEU  25           HB1      LEU  25   6.993  -1.459  -1.459
  188   2HB   LEU  25           HB2      LEU  25   5.364  -0.836  -0.836
  189    HG   LEU  25           HG       LEU  25   7.290  -1.257  -1.257
  190   1HD1  LEU  25          HD12      LEU  25   8.283   0.249   0.249
  191   2HD1  LEU  25          HD13      LEU  25   6.909   1.327   1.327
  192   3HD1  LEU  25          HD11      LEU  25   8.036   1.024   1.024
  193   1HD2  LEU  25          HD21      LEU  25   4.738   0.282   0.282
  194   2HD2  LEU  25          HD22      LEU  25   5.085  -0.903  -0.903
  195   3HD2  LEU  25          HD23      LEU  25   5.814   0.701   0.701
  196    H    ARG  26           HN       ARG  26   6.671  -4.317  -4.317
  197    HA   ARG  26           HA       ARG  26   4.403  -4.194  -4.194
  198   1HB   ARG  26           HB1      ARG  26   6.907  -5.891  -5.891
  199   2HB   ARG  26           HB2      ARG  26   5.682  -6.061  -6.061
  200   1HG   ARG  26           HG1      ARG  26   6.931  -3.389  -3.389
  201   2HG   ARG  26           HG2      ARG  26   7.656  -4.489  -4.489
  202   1HD   ARG  26           HD1      ARG  26   6.175  -3.844  -3.844
  203   2HD   ARG  26           HD2      ARG  26   4.826  -4.254  -4.254
  204    HE   ARG  26           HE       ARG  26   5.710  -1.598  -1.598
  205   1HH1  ARG  26          HH21      ARG  26   6.530  -0.863  -0.863
  206   2HH1  ARG  26          HH22      ARG  26   5.152  -0.806  -0.806
  207   1HH2  ARG  26          HH11      ARG  26   3.157  -2.732  -2.732
  208   2HH2  ARG  26          HH12      ARG  26   3.243  -1.863  -1.863
  209    H    ALA  27           HN       ALA  27   5.659  -6.583  -6.583
  210    HA   ALA  27           HA       ALA  27   3.720  -8.603  -8.603
  211   1HB   ALA  27           HB3      ALA  27   5.925  -8.893  -8.893
  212   2HB   ALA  27           HB1      ALA  27   5.074  -8.252  -8.252
  213   3HB   ALA  27           HB2      ALA  27   4.529  -9.751  -9.751
  214    H    MET  28           HN       MET  28   3.595  -5.701  -5.701
  215    HA   MET  28           HA       MET  28   1.496  -6.398  -6.398
  216   1HB   MET  28           HB1      MET  28   2.999  -4.240  -4.240
  217   2HB   MET  28           HB2      MET  28   1.690  -3.643  -3.643
  218   1HG   MET  28           HG1      MET  28   0.265  -3.431  -3.431
  219   2HG   MET  28           HG2      MET  28   0.784  -4.956  -4.956
  220   1HE   MET  28           HE1      MET  28   0.439  -4.235  -4.235
  221   2HE   MET  28           HE2      MET  28   2.053  -4.640  -4.640
  222   3HE   MET  28           HE3      MET  28   1.345  -3.079  -3.079
  223    H    GLU  29           HN       GLU  29   1.480  -5.561  -5.561
  224    HA   GLU  29           HA       GLU  29  -1.194  -4.753  -4.753
  225   1HB   GLU  29           HB1      GLU  29   0.953  -5.632  -5.632
  226   2HB   GLU  29           HB2      GLU  29  -0.493  -6.523  -6.523
  227   1HG   GLU  29           HG1      GLU  29  -1.732  -4.439  -4.439
  228   2HG   GLU  29           HG2      GLU  29  -0.360  -3.510  -3.510
  229    H    ALA  30           HN       ALA  30   0.136  -8.057  -8.057
  230    HA   ALA  30           HA       ALA  30  -2.216  -9.490  -9.490
  231   1HB   ALA  30           HB3      ALA  30   0.122 -10.096 -10.096
  232   2HB   ALA  30           HB1      ALA  30  -1.176 -11.258 -11.258
  233   3HB   ALA  30           HB2      ALA  30  -0.180 -10.709 -10.709
  234    H    LYS  31           HN       LYS  31  -1.076  -8.257  -8.257
  235    HA   LYS  31           HA       LYS  31  -3.438  -9.235  -9.235
  236   1HB   LYS  31           HB1      LYS  31  -1.151  -7.436  -7.436
  237   2HB   LYS  31           HB2      LYS  31  -2.500  -7.786  -7.786
  238   1HG   LYS  31           HG1      LYS  31  -1.289  -9.606  -9.606
  239   2HG   LYS  31           HG2      LYS  31  -1.813 -10.295 -10.295
  240   1HD   LYS  31           HD1      LYS  31   0.203  -9.649  -9.649
  241   2HD   LYS  31           HD2      LYS  31   0.650  -8.555  -8.555
  242   1HE   LYS  31           HE1      LYS  31   0.300 -11.505 -11.505
  243   2HE   LYS  31           HE2      LYS  31   1.821 -10.879 -10.879
  244   1HZ   LYS  31           HZ2      LYS  31   0.740  -9.413  -9.413
  245   2HZ   LYS  31           HZ3      LYS  31   1.212 -11.006 -11.006
  246   3HZ   LYS  31           HZ1      LYS  31   2.333  -9.919  -9.919
  247    H    LEU  32           HN       LEU  32  -2.705  -6.448  -6.448
  248    HA   LEU  32           HA       LEU  32  -4.190  -4.414  -4.414
  249   1HB   LEU  32           HB1      LEU  32  -2.967  -3.889  -3.889
  250   2HB   LEU  32           HB2      LEU  32  -3.850  -5.093  -5.093
  251    HG   LEU  32           HG       LEU  32  -5.926  -3.802  -3.802
  252   1HD1  LEU  32          HD13      LEU  32  -5.104  -2.846  -2.846
  253   2HD1  LEU  32          HD11      LEU  32  -4.288  -1.620  -1.620
  254   3HD1  LEU  32          HD12      LEU  32  -6.043  -1.778  -1.778
  255   1HD2  LEU  32          HD21      LEU  32  -3.498  -2.320  -2.320
  256   2HD2  LEU  32          HD22      LEU  32  -4.705  -3.208  -3.208
  257   3HD2  LEU  32          HD23      LEU  32  -5.129  -1.672  -1.672
  258    H    LYS  33           HN       LYS  33  -5.357  -7.122  -7.122
  259    HA   LYS  33           HA       LYS  33  -8.078  -6.268  -6.268
  260   1HB   LYS  33           HB1      LYS  33  -6.603  -8.422  -8.422
  261   2HB   LYS  33           HB2      LYS  33  -7.759  -9.166  -9.166
  262   1HG   LYS  33           HG1      LYS  33  -9.566  -7.802  -7.802
  263   2HG   LYS  33           HG2      LYS  33  -8.360  -7.352  -7.352
  264   1HD   LYS  33           HD1      LYS  33  -8.078  -9.624  -9.624
  265   2HD   LYS  33           HD2      LYS  33  -8.968 -10.233 -10.233
  266   1HE   LYS  33           HE1      LYS  33 -10.506 -10.336 -10.336
  267   2HE   LYS  33           HE2      LYS  33 -10.971  -8.904  -8.904
  268   1HZ   LYS  33           HZ1      LYS  33  -9.495  -7.627  -7.627
  269   2HZ   LYS  33           HZ2      LYS  33  -9.419  -9.025  -9.025
  270   3HZ   LYS  33           HZ3      LYS  33 -10.910  -8.259  -8.259
  271    H    ALA  34           HN       ALA  34  -6.457  -8.532  -8.532
  272    HA   ALA  34           HA       ALA  34  -8.750  -9.071  -9.071
  273   1HB   ALA  34           HB1      ALA  34  -6.225 -10.024 -10.024
  274   2HB   ALA  34           HB2      ALA  34  -6.109  -8.925  -8.925
  275   3HB   ALA  34           HB3      ALA  34  -7.306 -10.219 -10.219
  276    H    GLU  35           HN       GLU  35  -6.910  -6.205  -6.205
  277    HA   GLU  35           HA       GLU  35  -7.481  -5.193  -5.193
  278   1HB   GLU  35           HB1      GLU  35  -5.464  -4.533  -4.533
  279   2HB   GLU  35           HB2      GLU  35  -6.580  -3.596  -3.596
  280   1HG   GLU  35           HG1      GLU  35  -7.173  -2.185  -2.185
  281   2HG   GLU  35           HG2      GLU  35  -6.405  -3.262  -3.262
  282    H    ILE  36           HN       ILE  36  -8.840  -4.908  -4.908
  283    HA   ILE  36           HA       ILE  36 -10.568  -2.718  -2.718
  284    HB   ILE  36           HB       ILE  36 -11.281  -5.268  -5.268
  285   1HG1  ILE  36          HG11      ILE  36  -9.090  -4.685  -4.685
  286   2HG1  ILE  36          HG12      ILE  36 -10.199  -3.996  -3.996
  287   1HG2  ILE  36          HG21      ILE  36 -12.526  -2.689  -2.689
  288   2HG2  ILE  36          HG22      ILE  36 -11.985  -2.846  -2.846
  289   3HG2  ILE  36          HG23      ILE  36 -13.071  -4.051  -4.051
  290   1HD1  ILE  36          HD13      ILE  36  -9.025  -2.465  -2.465
  291   2HD1  ILE  36          HD11      ILE  36  -8.396  -2.405  -2.405
  292   3HD1  ILE  36          HD12      ILE  36 -10.017  -1.802  -1.802
  293    H    GLN  37           HN       GLN  37 -10.806  -5.986  -5.986
  294    HA   GLN  37           HA       GLN  37 -13.536  -6.125  -6.125
  295   1HB   GLN  37           HB1      GLN  37 -11.649  -7.865  -7.865
  296   2HB   GLN  37           HB2      GLN  37 -11.406  -7.041  -7.041
  297   1HG   GLN  37           HG1      GLN  37 -13.337  -7.868  -7.868
  298   2HG   GLN  37           HG2      GLN  37 -14.225  -7.652  -7.652
  299   1HE2  GLN  37          HE22      GLN  37 -13.912 -11.317 -11.317
  300   2HE2  GLN  37          HE21      GLN  37 -14.711 -10.035 -10.035
  301    H    LYS  38           HN       LYS  38 -10.899  -4.824  -4.824
  302    HA   LYS  38           HA       LYS  38 -12.459  -3.919  -3.919
  303   1HB   LYS  38           HB1      LYS  38 -10.065  -2.513  -2.513
  304   2HB   LYS  38           HB2      LYS  38 -10.683  -2.266  -2.266
  305   1HG   LYS  38           HG1      LYS  38 -10.391  -4.906  -4.906
  306   2HG   LYS  38           HG2      LYS  38  -9.212  -4.609  -4.609
  307   1HD   LYS  38           HD1      LYS  38  -8.461  -2.664  -2.664
  308   2HD   LYS  38           HD2      LYS  38  -9.169  -3.759  -3.759
  309   1HE   LYS  38           HE1      LYS  38  -7.024  -4.618  -4.618
  310   2HE   LYS  38           HE2      LYS  38  -7.745  -5.557  -5.557
  311   1HZ   LYS  38           HZ3      LYS  38  -6.946  -3.897  -3.897
  312   2HZ   LYS  38           HZ1      LYS  38  -6.231  -3.020  -3.020
  313   3HZ   LYS  38           HZ2      LYS  38  -5.660  -4.574  -4.574
  314   1HN   NH2  39          1HN       NH2  39 -14.047  -2.239  -2.239
  315   2HN   NH2  39          2HN       NH2  39 -12.408  -2.235  -2.235

  Start of MODEL    8
    1   1H2   SIN   0          1H2       SIN   0  11.585   8.641   8.641
    2   2H2   SIN   0          2H2       SIN   0  12.796   9.126   9.126
    3   1H3   SIN   0          1H3       SIN   0  10.768   9.202   9.202
    4   2H3   SIN   0          2H3       SIN   0  11.047  10.885  10.885
    5    H    ASP   1           HN       ASP   1   9.644  11.856  11.856
    6    HA   ASP   1           HA       ASP   1   7.766  10.416  10.416
    7   1HB   ASP   1           HB1      ASP   1   6.795  12.542  12.542
    8   2HB   ASP   1           HB2      ASP   1   8.525  12.825  12.825
    9    H    TRP   2           HN       TRP   2   7.411  11.984  11.984
   10    HA   TRP   2           HA       TRP   2   4.690  11.770  11.770
   11   1HB   TRP   2           HB1      TRP   2   5.123  11.630  11.630
   12   2HB   TRP   2           HB2      TRP   2   6.394  12.632  12.632
   13    HD1  TRP   2           HD1      TRP   2   8.714  11.349  11.349
   14    HE1  TRP   2           HE1      TRP   2   9.897   9.424   9.424
   15    HE3  TRP   2           HE3      TRP   2   4.799   9.574   9.574
   16    HZ2  TRP   2           HZ2      TRP   2   9.236   7.388   7.388
   17    HZ3  TRP   2           HZ3      TRP   2   5.091   7.643   7.643
   18    HH2  TRP   2           HH2      TRP   2   7.306   6.550   6.550
   19    H    LEU   3           HN       LEU   3   7.079   9.188   9.188
   20    HA   LEU   3           HA       LEU   3   5.539   7.138   7.138
   21   1HB   LEU   3           HB1      LEU   3   7.826   7.219   7.219
   22   2HB   LEU   3           HB2      LEU   3   6.959   5.692   5.692
   23    HG   LEU   3           HG       LEU   3   7.311   6.711   6.711
   24   1HD1  LEU   3          HD12      LEU   3   9.106   8.113   8.113
   25   2HD1  LEU   3          HD13      LEU   3   9.987   6.590   6.590
   26   3HD1  LEU   3          HD11      LEU   3   9.593   7.253   7.253
   27   1HD2  LEU   3          HD21      LEU   3   8.340   4.436   4.436
   28   2HD2  LEU   3          HD22      LEU   3   7.361   4.402   4.402
   29   3HD2  LEU   3          HD23      LEU   3   9.091   4.729   4.729
   30    H    LYS   4           HN       LYS   4   5.744   8.099   8.099
   31    HA   LYS   4           HA       LYS   4   4.093   6.156   6.156
   32   1HB   LYS   4           HB1      LYS   4   4.478   9.081   9.081
   33   2HB   LYS   4           HB2      LYS   4   3.241   8.182   8.182
   34   1HG   LYS   4           HG1      LYS   4   4.902   6.583   6.583
   35   2HG   LYS   4           HG2      LYS   4   6.150   7.345   7.345
   36   1HD   LYS   4           HD1      LYS   4   5.913   9.427   9.427
   37   2HD   LYS   4           HD2      LYS   4   4.637   8.688   8.688
   38   1HE   LYS   4           HE1      LYS   4   7.307   7.326   7.326
   39   2HE   LYS   4           HE2      LYS   4   7.120   8.697   8.697
   40   1HZ   LYS   4           HZ1      LYS   4   4.907   7.066   7.066
   41   2HZ   LYS   4           HZ2      LYS   4   6.258   6.035   6.035
   42   3HZ   LYS   4           HZ3      LYS   4   6.189   7.327   7.327
   43    H    ALA   5           HN       ALA   5   3.177   8.913   8.913
   44    HA   ALA   5           HA       ALA   5   0.317   8.502   8.502
   45   1HB   ALA   5           HB3      ALA   5   1.587  10.688  10.688
   46   2HB   ALA   5           HB1      ALA   5   1.477  10.021  10.021
   47   3HB   ALA   5           HB2      ALA   5   0.008  10.352  10.352
   48    H    ARG   6           HN       ARG   6   2.703   7.665   7.665
   49    HA   ARG   6           HA       ARG   6   0.626   6.359   6.359
   50   1HB   ARG   6           HB1      ARG   6   2.301   6.071   6.071
   51   2HB   ARG   6           HB2      ARG   6   2.568   7.676   7.676
   52   1HG   ARG   6           HG1      ARG   6   4.710   7.008   7.008
   53   2HG   ARG   6           HG2      ARG   6   4.081   6.036   6.036
   54   1HD   ARG   6           HD1      ARG   6   3.530   4.398   4.398
   55   2HD   ARG   6           HD2      ARG   6   4.980   5.201   5.201
   56    HE   ARG   6           HE       ARG   6   5.423   4.350   4.350
   57   1HH1  ARG   6          HH11      ARG   6   6.344   3.794   3.794
   58   2HH1  ARG   6          HH12      ARG   6   6.721   2.115   2.115
   59   1HH2  ARG   6          HH21      ARG   6   5.346   1.911   1.911
   60   2HH2  ARG   6          HH22      ARG   6   6.161   1.050   1.050
   61    H    VAL   7           HN       VAL   7   2.038   5.470   5.470
   62    HA   VAL   7           HA       VAL   7   2.832   2.759   2.759
   63    HB   VAL   7           HB       VAL   7   2.822   4.216   4.216
   64   1HG1  VAL   7          HG12      VAL   7   2.650   1.386   1.386
   65   2HG1  VAL   7          HG13      VAL   7   4.238   1.760   1.760
   66   3HG1  VAL   7          HG11      VAL   7   2.781   2.230   2.230
   67   1HG2  VAL   7          HG22      VAL   7   4.697   3.880   3.880
   68   2HG2  VAL   7          HG23      VAL   7   4.914   4.762   4.762
   69   3HG2  VAL   7          HG21      VAL   7   5.321   3.048   3.048
   70    H    GLU   8           HN       GLU   8   0.760   3.875   3.875
   71    HA   GLU   8           HA       GLU   8  -0.764   1.553   1.553
   72   1HB   GLU   8           HB1      GLU   8  -2.560   3.027   3.027
   73   2HB   GLU   8           HB2      GLU   8  -0.968   3.425   3.425
   74   1HG   GLU   8           HG1      GLU   8  -0.768   5.340   5.340
   75   2HG   GLU   8           HG2      GLU   8  -2.100   4.821   4.821
   76    H    GLN   9           HN       GLN   9  -0.865   3.918   3.918
   77    HA   GLN   9           HA       GLN   9  -3.489   3.332   3.332
   78   1HB   GLN   9           HB1      GLN   9  -1.014   4.542   4.542
   79   2HB   GLN   9           HB2      GLN   9  -2.468   4.259   4.259
   80   1HG   GLN   9           HG1      GLN   9  -3.779   5.676   5.676
   81   2HG   GLN   9           HG2      GLN   9  -2.457   5.802   5.802
   82   1HE2  GLN   9          HE22      GLN   9  -2.242   8.902   8.902
   83   2HE2  GLN   9          HE21      GLN   9  -3.251   8.235   8.235
   84    H    GLU  10           HN       GLU  10  -0.267   2.228   2.228
   85    HA   GLU  10           HA       GLU  10  -1.288   0.376   0.376
   86   1HB   GLU  10           HB1      GLU  10   0.925  -0.412  -0.412
   87   2HB   GLU  10           HB2      GLU  10   1.132   1.260   1.260
   88   1HG   GLU  10           HG1      GLU  10   1.242   0.380   0.380
   89   2HG   GLU  10           HG2      GLU  10   1.341  -1.239  -1.239
   90    H    LEU  11           HN       LEU  11  -0.429  -0.018  -0.018
   91    HA   LEU  11           HA       LEU  11  -0.919  -2.851  -2.851
   92   1HB   LEU  11           HB1      LEU  11  -0.822  -0.751  -0.751
   93   2HB   LEU  11           HB2      LEU  11  -1.036  -2.471  -2.471
   94    HG   LEU  11           HG       LEU  11   1.225  -1.623  -1.623
   95   1HD1  LEU  11          HD12      LEU  11   0.883  -0.497  -0.497
   96   2HD1  LEU  11          HD13      LEU  11   2.029  -1.818  -1.818
   97   3HD1  LEU  11          HD11      LEU  11   2.377  -0.548  -0.548
   98   1HD2  LEU  11          HD21      LEU  11   0.366  -4.034  -4.034
   99   2HD2  LEU  11          HD22      LEU  11   2.070  -3.694  -3.694
  100   3HD2  LEU  11          HD23      LEU  11   1.442  -3.635  -3.635
  101    H    GLN  12           HN       GLN  12  -2.994  -0.099  -0.099
  102    HA   GLN  12           HA       GLN  12  -5.214  -1.086  -1.086
  103   1HB   GLN  12           HB1      GLN  12  -4.669   1.122   1.122
  104   2HB   GLN  12           HB2      GLN  12  -6.150   0.357   0.357
  105   1HG   GLN  12           HG1      GLN  12  -6.813   0.319   0.319
  106   2HG   GLN  12           HG2      GLN  12  -5.570   1.559   1.559
  107   1HE2  GLN  12          HE22      GLN  12  -7.962   3.971   3.971
  108   2HE2  GLN  12          HE21      GLN  12  -6.789   3.476   3.476
  109    H    ALA  13           HN       ALA  13  -3.969  -2.008  -2.008
  110    HA   ALA  13           HA       ALA  13  -6.367  -3.143  -3.143
  111   1HB   ALA  13           HB1      ALA  13  -4.027  -2.670  -2.670
  112   2HB   ALA  13           HB2      ALA  13  -3.641  -4.295  -4.295
  113   3HB   ALA  13           HB3      ALA  13  -4.980  -4.045  -4.045
  114    H    LEU  14           HN       LEU  14  -3.565  -4.845  -4.845
  115    HA   LEU  14           HA       LEU  14  -5.022  -7.307  -7.307
  116   1HB   LEU  14           HB1      LEU  14  -2.369  -6.266  -6.266
  117   2HB   LEU  14           HB2      LEU  14  -3.001  -7.383  -7.383
  118    HG   LEU  14           HG       LEU  14  -3.566  -8.951  -8.951
  119   1HD1  LEU  14          HD11      LEU  14  -2.060  -6.778  -6.778
  120   2HD1  LEU  14          HD12      LEU  14  -1.969  -8.441  -8.441
  121   3HD1  LEU  14          HD13      LEU  14  -3.529  -7.622  -7.622
  122   1HD2  LEU  14          HD22      LEU  14  -0.798  -8.182  -8.182
  123   2HD2  LEU  14          HD23      LEU  14  -1.702  -9.658  -9.658
  124   3HD2  LEU  14          HD21      LEU  14  -0.986  -9.408  -9.408
  125    H    GLU  15           HN       GLU  15  -5.038  -4.367  -4.367
  126    HA   GLU  15           HA       GLU  15  -5.734  -5.464  -5.464
  127   1HB   GLU  15           HB1      GLU  15  -5.350  -2.836  -2.836
  128   2HB   GLU  15           HB2      GLU  15  -6.789  -2.869  -2.869
  129   1HG   GLU  15           HG1      GLU  15  -3.989  -3.722  -3.722
  130   2HG   GLU  15           HG2      GLU  15  -4.850  -2.289  -2.289
  131    H    ALA  16           HN       ALA  16  -7.429  -4.857  -4.857
  132    HA   ALA  16           HA       ALA  16 -10.062  -4.394  -4.394
  133   1HB   ALA  16           HB1      ALA  16  -8.770  -5.384  -5.384
  134   2HB   ALA  16           HB2      ALA  16 -10.318  -6.182  -6.182
  135   3HB   ALA  16           HB3      ALA  16 -10.240  -4.424  -4.424
  136    H    ARG  17           HN       ARG  17  -9.232  -7.624  -7.624
  137    HA   ARG  17           HA       ARG  17 -10.006  -9.724  -9.724
  138   1HB   ARG  17           HB1      ARG  17  -8.514  -8.457  -8.457
  139   2HB   ARG  17           HB2      ARG  17  -9.846  -9.341  -9.341
  140   1HG   ARG  17           HG1      ARG  17  -8.676 -11.244 -11.244
  141   2HG   ARG  17           HG2      ARG  17  -8.835 -11.017 -11.017
  142   1HD   ARG  17           HD1      ARG  17  -6.472 -11.209 -11.209
  143   2HD   ARG  17           HD2      ARG  17  -6.804  -9.543  -9.543
  144    HE   ARG  17           HE       ARG  17  -6.725  -8.934  -8.934
  145   1HH1  ARG  17          HH11      ARG  17  -6.929 -12.170 -12.170
  146   2HH1  ARG  17          HH12      ARG  17  -5.467 -12.406 -12.406
  147   1HH2  ARG  17          HH21      ARG  17  -4.297  -9.189  -9.189
  148   2HH2  ARG  17          HH22      ARG  17  -3.978 -10.718 -10.718
  149    H    GLY  18           HN       GLY  18 -12.007  -7.492  -7.492
  150   1HA   GLY  18           HA1      GLY  18 -14.328  -7.356  -7.356
  151   2HA   GLY  18           HA2      GLY  18 -14.227  -8.912  -8.912
  152    H    THR  19           HN       THR  19 -15.267  -8.512  -8.512
  153    HA   THR  19           HA       THR  19 -14.433  -6.096  -6.096
  154    HB   THR  19           HB       THR  19 -16.528  -6.501  -6.501
  155    HG1  THR  19           HG1      THR  19 -16.406  -8.833  -8.833
  156   1HG2  THR  19          HG23      THR  19 -16.533  -6.022  -6.022
  157   2HG2  THR  19          HG21      THR  19 -18.074  -6.122  -6.122
  158   3HG2  THR  19          HG22      THR  19 -16.889  -4.900  -4.900
  159    H    ASP  20           HN       ASP  20 -12.477  -7.790  -7.790
  160    HA   ASP  20           HA       ASP  20 -12.851  -8.931  -8.931
  161   1HB   ASP  20           HB1      ASP  20 -13.060 -10.603 -10.603
  162   2HB   ASP  20           HB2      ASP  20 -11.359 -10.757 -10.757
  163    H    SER  21           HN       SER  21 -11.452  -6.844  -6.844
  164    HA   SER  21           HA       SER  21  -8.830  -7.432  -7.432
  165   1HB   SER  21           HB1      SER  21  -9.170  -7.292  -7.292
  166   2HB   SER  21           HB2      SER  21  -7.944  -6.178  -6.178
  167    HG   SER  21           HG       SER  21  -7.709  -8.769  -8.769
  168    H    ASN  22           HN       ASN  22 -10.965  -5.626  -5.626
  169    HA   ASN  22           HA       ASN  22  -9.932  -2.946  -2.946
  170   1HB   ASN  22           HB1      ASN  22 -12.492  -3.967  -3.967
  171   2HB   ASN  22           HB2      ASN  22 -12.058  -2.912  -2.912
  172   1HD2  ASN  22          HD21      ASN  22 -12.937  -0.874  -0.874
  173   2HD2  ASN  22          HD22      ASN  22 -12.904  -0.083  -0.083
  174    H    ALA  23           HN       ALA  23  -8.612  -4.992  -4.992
  175    HA   ALA  23           HA       ALA  23  -8.270  -3.135  -3.135
  176   1HB   ALA  23           HB2      ALA  23  -8.742  -6.068  -6.068
  177   2HB   ALA  23           HB3      ALA  23  -7.557  -5.498  -5.498
  178   3HB   ALA  23           HB1      ALA  23  -9.212  -4.891  -4.891
  179    H    GLU  24           HN       GLU  24  -6.745  -5.638  -5.638
  180    HA   GLU  24           HA       GLU  24  -4.107  -5.396  -5.396
  181   1HB   GLU  24           HB1      GLU  24  -5.386  -6.447  -6.447
  182   2HB   GLU  24           HB2      GLU  24  -3.730  -5.892  -5.892
  183   1HG   GLU  24           HG1      GLU  24  -4.642  -7.846  -7.846
  184   2HG   GLU  24           HG2      GLU  24  -3.772  -8.269  -8.269
  185    H    LEU  25           HN       LEU  25  -5.980  -3.262  -3.262
  186    HA   LEU  25           HA       LEU  25  -4.036  -1.836  -1.836
  187   1HB   LEU  25           HB1      LEU  25  -6.422  -0.674  -0.674
  188   2HB   LEU  25           HB2      LEU  25  -5.554   0.094   0.094
  189    HG   LEU  25           HG       LEU  25  -6.499  -2.666  -2.666
  190   1HD1  LEU  25          HD12      LEU  25  -8.420  -0.333  -0.333
  191   2HD1  LEU  25          HD13      LEU  25  -8.817  -1.891  -1.891
  192   3HD1  LEU  25          HD11      LEU  25  -8.413  -1.794  -1.794
  193   1HD2  LEU  25          HD23      LEU  25  -5.376  -0.985  -0.985
  194   2HD2  LEU  25          HD21      LEU  25  -6.827  -1.797  -1.797
  195   3HD2  LEU  25          HD22      LEU  25  -6.922  -0.137  -0.137
  196    H    ARG  26           HN       ARG  26  -4.826  -1.667  -1.667
  197    HA   ARG  26           HA       ARG  26  -3.129   0.637   0.637
  198   1HB   ARG  26           HB1      ARG  26  -4.250  -1.451  -1.451
  199   2HB   ARG  26           HB2      ARG  26  -3.481   0.058   0.058
  200   1HG   ARG  26           HG1      ARG  26  -5.938  -0.119  -0.119
  201   2HG   ARG  26           HG2      ARG  26  -5.981   0.202   0.202
  202   1HD   ARG  26           HD1      ARG  26  -5.780   2.388   2.388
  203   2HD   ARG  26           HD2      ARG  26  -4.103   2.019   2.019
  204    HE   ARG  26           HE       ARG  26  -4.695   2.016   2.016
  205   1HH1  ARG  26          HH21      ARG  26  -7.540   1.179   1.179
  206   2HH1  ARG  26          HH22      ARG  26  -8.576   2.155   2.155
  207   1HH2  ARG  26          HH11      ARG  26  -5.966   3.798   3.798
  208   2HH2  ARG  26          HH12      ARG  26  -7.685   3.636   3.636
  209    H    ALA  27           HN       ALA  27  -2.768  -2.885  -2.885
  210    HA   ALA  27           HA       ALA  27  -0.138  -2.737  -2.737
  211   1HB   ALA  27           HB1      ALA  27  -1.583  -4.968  -4.968
  212   2HB   ALA  27           HB2      ALA  27  -0.020  -5.167  -5.167
  213   3HB   ALA  27           HB3      ALA  27  -1.444  -4.749  -4.749
  214    H    MET  28           HN       MET  28  -1.228  -2.040  -2.040
  215    HA   MET  28           HA       MET  28   1.033  -3.074  -3.074
  216   1HB   MET  28           HB1      MET  28  -1.354  -2.304  -2.304
  217   2HB   MET  28           HB2      MET  28  -0.585  -0.721  -0.721
  218   1HG   MET  28           HG1      MET  28  -0.282  -1.729  -1.729
  219   2HG   MET  28           HG2      MET  28   1.274  -1.876  -1.876
  220   1HE   MET  28           HE2      MET  28   2.328  -3.724  -3.724
  221   2HE   MET  28           HE3      MET  28   1.530  -5.187  -5.187
  222   3HE   MET  28           HE1      MET  28   1.042  -3.607  -3.607
  223    H    GLU  29           HN       GLU  29   0.147   0.154   0.154
  224    HA   GLU  29           HA       GLU  29   2.290   1.659   1.659
  225   1HB   GLU  29           HB1      GLU  29   2.047   3.048   3.048
  226   2HB   GLU  29           HB2      GLU  29   0.470   2.607   2.607
  227   1HG   GLU  29           HG1      GLU  29   0.935   0.507   0.507
  228   2HG   GLU  29           HG2      GLU  29   1.748   1.811   1.811
  229    H    ALA  30           HN       ALA  30   2.352  -0.911  -0.911
  230    HA   ALA  30           HA       ALA  30   4.802  -0.272  -0.272
  231   1HB   ALA  30           HB1      ALA  30   3.173  -2.741  -2.741
  232   2HB   ALA  30           HB2      ALA  30   4.832  -2.933  -2.933
  233   3HB   ALA  30           HB3      ALA  30   3.684  -1.976  -1.976
  234    H    LYS  31           HN       LYS  31   4.367  -2.869  -2.869
  235    HA   LYS  31           HA       LYS  31   7.147  -2.990  -2.990
  236   1HB   LYS  31           HB1      LYS  31   4.632  -4.074  -4.074
  237   2HB   LYS  31           HB2      LYS  31   6.091  -4.092  -4.092
  238   1HG   LYS  31           HG1      LYS  31   6.085  -6.175  -6.175
  239   2HG   LYS  31           HG2      LYS  31   7.259  -5.167  -5.167
  240   1HD   LYS  31           HD1      LYS  31   5.484  -4.544  -4.544
  241   2HD   LYS  31           HD2      LYS  31   4.374  -5.641  -5.641
  242   1HE   LYS  31           HE1      LYS  31   5.332  -7.483  -7.483
  243   2HE   LYS  31           HE2      LYS  31   6.965  -6.856  -6.856
  244   1HZ   LYS  31           HZ2      LYS  31   6.511  -5.331  -5.331
  245   2HZ   LYS  31           HZ3      LYS  31   5.058  -6.167  -6.167
  246   3HZ   LYS  31           HZ1      LYS  31   6.540  -6.975  -6.975
  247    H    LEU  32           HN       LEU  32   4.755  -0.722  -0.722
  248    HA   LEU  32           HA       LEU  32   5.506  -0.016  -0.016
  249   1HB   LEU  32           HB1      LEU  32   3.735   0.986   0.986
  250   2HB   LEU  32           HB2      LEU  32   4.926   2.280   2.280
  251    HG   LEU  32           HG       LEU  32   3.416   2.827   2.827
  252   1HD1  LEU  32          HD12      LEU  32   5.940   2.096   2.096
  253   2HD1  LEU  32          HD13      LEU  32   4.981   1.083   1.083
  254   3HD1  LEU  32          HD11      LEU  32   4.777   2.834   2.834
  255   1HD2  LEU  32          HD23      LEU  32   2.622   0.175   0.175
  256   2HD2  LEU  32          HD21      LEU  32   1.943   1.348   1.348
  257   3HD2  LEU  32          HD22      LEU  32   3.231   0.263   0.263
  258    H    LYS  33           HN       LYS  33   6.753   1.280   1.280
  259    HA   LYS  33           HA       LYS  33   8.705   2.981   2.981
  260   1HB   LYS  33           HB1      LYS  33   7.813   2.553   2.553
  261   2HB   LYS  33           HB2      LYS  33   9.431   1.851   1.851
  262   1HG   LYS  33           HG1      LYS  33   9.736   4.149   4.149
  263   2HG   LYS  33           HG2      LYS  33  10.224   4.011   4.011
  264   1HD   LYS  33           HD1      LYS  33   8.569   5.393   5.393
  265   2HD   LYS  33           HD2      LYS  33   7.362   4.503   4.503
  266   1HE   LYS  33           HE1      LYS  33   9.318   6.354   6.354
  267   2HE   LYS  33           HE2      LYS  33   7.824   6.972   6.972
  268   1HZ   LYS  33           HZ3      LYS  33   7.768   4.650   4.650
  269   2HZ   LYS  33           HZ1      LYS  33   7.832   6.223   6.223
  270   3HZ   LYS  33           HZ2      LYS  33   6.532   5.760   5.760
  271    H    ALA  34           HN       ALA  34   8.597  -0.425  -0.425
  272    HA   ALA  34           HA       ALA  34  11.446  -0.911  -0.911
  273   1HB   ALA  34           HB3      ALA  34   9.734  -2.614  -2.614
  274   2HB   ALA  34           HB1      ALA  34   9.263  -2.712  -2.712
  275   3HB   ALA  34           HB2      ALA  34  10.879  -3.215  -3.215
  276    H    GLU  35           HN       GLU  35   9.126  -0.975  -0.975
  277    HA   GLU  35           HA       GLU  35  11.294  -1.322  -1.322
  278   1HB   GLU  35           HB1      GLU  35   8.876  -2.170  -2.170
  279   2HB   GLU  35           HB2      GLU  35   8.458  -0.503  -0.503
  280   1HG   GLU  35           HG1      GLU  35  10.605  -0.856  -0.856
  281   2HG   GLU  35           HG2      GLU  35   9.986  -2.507  -2.507
  282    H    ILE  36           HN       ILE  36   9.304   1.341   1.341
  283    HA   ILE  36           HA       ILE  36   9.914   3.296   3.296
  284    HB   ILE  36           HB       ILE  36   9.479   3.571   3.571
  285   1HG1  ILE  36          HG11      ILE  36   7.670   4.066   4.066
  286   2HG1  ILE  36          HG12      ILE  36   7.585   2.663   2.663
  287   1HG2  ILE  36          HG23      ILE  36   9.956   5.596   5.596
  288   2HG2  ILE  36          HG21      ILE  36   8.834   5.986   5.986
  289   3HG2  ILE  36          HG22      ILE  36  10.514   5.599   5.599
  290   1HD1  ILE  36          HD12      ILE  36   7.574   4.887   4.887
  291   2HD1  ILE  36          HD13      ILE  36   6.500   5.329   5.329
  292   3HD1  ILE  36          HD11      ILE  36   6.197   3.860   3.860
  293    H    GLN  37           HN       GLN  37  11.957   1.830   1.830
  294    HA   GLN  37           HA       GLN  37  13.886   3.747   3.747
  295   1HB   GLN  37           HB1      GLN  37  14.229   0.822   0.822
  296   2HB   GLN  37           HB2      GLN  37  15.560   1.828   1.828
  297   1HG   GLN  37           HG1      GLN  37  13.250   2.201   2.201
  298   2HG   GLN  37           HG2      GLN  37  13.630   0.483   0.483
  299   1HE2  GLN  37          HE22      GLN  37  16.007   2.885   2.885
  300   2HE2  GLN  37          HE21      GLN  37  14.541   3.420   3.420
  301    H    LYS  38           HN       LYS  38  13.362   2.063   2.063
  302    HA   LYS  38           HA       LYS  38  14.746   4.119   4.119
  303   1HB   LYS  38           HB1      LYS  38  16.611   2.779   2.779
  304   2HB   LYS  38           HB2      LYS  38  16.696   2.863   2.863
  305   1HG   LYS  38           HG1      LYS  38  15.152   0.651   0.651
  306   2HG   LYS  38           HG2      LYS  38  16.120   0.546   0.546
  307   1HD   LYS  38           HD1      LYS  38  17.310  -0.640  -0.640
  308   2HD   LYS  38           HD2      LYS  38  18.174   0.869   0.869
  309   1HE   LYS  38           HE1      LYS  38  17.881   1.475   1.475
  310   2HE   LYS  38           HE2      LYS  38  16.133   1.336   1.336
  311   1HZ   LYS  38           HZ3      LYS  38  17.619  -1.155  -1.155
  312   2HZ   LYS  38           HZ1      LYS  38  17.539  -0.196  -0.196
  313   3HZ   LYS  38           HZ2      LYS  38  16.108  -0.723  -0.723
  314   1HN   NH2  39          1HN       NH2  39  13.373   3.465   3.465
  315   2HN   NH2  39          2HN       NH2  39  12.265   3.541   3.541

  Start of MODEL    9
    1   1H2   SIN   0          1H2       SIN   0  15.708   2.460   2.460
    2   2H2   SIN   0          2H2       SIN   0  13.944   2.414   2.414
    3   1H3   SIN   0          1H3       SIN   0  14.641   4.155   4.155
    4   2H3   SIN   0          2H3       SIN   0  15.741   4.574   4.574
    5    H    ASP   1           HN       ASP   1  14.888   5.682   5.682
    6    HA   ASP   1           HA       ASP   1  12.489   4.687   4.687
    7   1HB   ASP   1           HB1      ASP   1  13.697   7.338   7.338
    8   2HB   ASP   1           HB2      ASP   1  12.869   6.163   6.163
    9    H    TRP   2           HN       TRP   2  13.104   7.658   7.658
   10    HA   TRP   2           HA       TRP   2  10.803   9.114   9.114
   11   1HB   TRP   2           HB1      TRP   2  11.080  10.087  10.087
   12   2HB   TRP   2           HB2      TRP   2  12.699   9.684   9.684
   13    HD1  TRP   2           HD1      TRP   2  13.703   7.319   7.319
   14    HE1  TRP   2           HE1      TRP   2  13.406   6.122   6.122
   15    HE3  TRP   2           HE3      TRP   2   9.519   9.688   9.688
   16    HZ2  TRP   2           HZ2      TRP   2  11.598   6.175   6.175
   17    HZ3  TRP   2           HZ3      TRP   2   8.523   9.104   9.104
   18    HH2  TRP   2           HH2      TRP   2   9.558   7.350   7.350
   19    H    LEU   3           HN       LEU   3  11.151   6.215   6.215
   20    HA   LEU   3           HA       LEU   3   8.664   6.255   6.255
   21   1HB   LEU   3           HB1      LEU   3  10.535   4.080   4.080
   22   2HB   LEU   3           HB2      LEU   3   8.940   3.635   3.635
   23    HG   LEU   3           HG       LEU   3  10.034   5.660   5.660
   24   1HD1  LEU   3          HD11      LEU   3  12.169   4.559   4.559
   25   2HD1  LEU   3          HD12      LEU   3  11.805   3.239   3.239
   26   3HD1  LEU   3          HD13      LEU   3  12.124   4.857   4.857
   27   1HD2  LEU   3          HD21      LEU   3   9.560   2.692   2.692
   28   2HD2  LEU   3          HD22      LEU   3   8.357   3.964   3.964
   29   3HD2  LEU   3          HD23      LEU   3   9.756   3.887   3.887
   30    H    LYS   4           HN       LYS   4   9.482   4.872   4.872
   31    HA   LYS   4           HA       LYS   4   6.996   3.763   3.763
   32   1HB   LYS   4           HB1      LYS   4   9.197   5.013   5.013
   33   2HB   LYS   4           HB2      LYS   4   7.658   4.753   4.753
   34   1HG   LYS   4           HG1      LYS   4   7.871   2.474   2.474
   35   2HG   LYS   4           HG2      LYS   4   8.641   2.485   2.485
   36   1HD   LYS   4           HD1      LYS   4  10.734   3.322   3.322
   37   2HD   LYS   4           HD2      LYS   4   9.954   3.226   3.226
   38   1HE   LYS   4           HE1      LYS   4  11.354   1.220   1.220
   39   2HE   LYS   4           HE2      LYS   4   9.655   0.814   0.814
   40   1HZ   LYS   4           HZ1      LYS   4  10.469   1.453   1.453
   41   2HZ   LYS   4           HZ2      LYS   4  11.049  -0.013  -0.013
   42   3HZ   LYS   4           HZ3      LYS   4   9.378   0.281   0.281
   43    H    ALA   5           HN       ALA   5   7.921   7.139   7.139
   44    HA   ALA   5           HA       ALA   5   5.462   8.068   8.068
   45   1HB   ALA   5           HB2      ALA   5   7.953   9.193   9.193
   46   2HB   ALA   5           HB3      ALA   5   6.898  10.028  10.028
   47   3HB   ALA   5           HB1      ALA   5   6.533  10.059  10.059
   48    H    ARG   6           HN       ARG   6   6.715   7.764   7.764
   49    HA   ARG   6           HA       ARG   6   4.242   8.887   8.887
   50   1HB   ARG   6           HB1      ARG   6   5.310   8.701   8.701
   51   2HB   ARG   6           HB2      ARG   6   6.500   9.338   9.338
   52   1HG   ARG   6           HG1      ARG   6   7.826   7.658   7.658
   53   2HG   ARG   6           HG2      ARG   6   6.854   6.623   6.623
   54   1HD   ARG   6           HD1      ARG   6   6.870   5.636   5.636
   55   2HD   ARG   6           HD2      ARG   6   5.264   6.309   6.309
   56    HE   ARG   6           HE       ARG   6   6.647   8.363   8.363
   57   1HH1  ARG   6          HH11      ARG   6   5.371   5.256   5.256
   58   2HH1  ARG   6          HH12      ARG   6   5.659   5.336   5.336
   59   1HH2  ARG   6          HH21      ARG   6   7.303   8.385   8.385
   60   2HH2  ARG   6          HH22      ARG   6   6.753   7.106   7.106
   61    H    VAL   7           HN       VAL   7   4.928   5.989   5.989
   62    HA   VAL   7           HA       VAL   7   3.701   4.336   4.336
   63    HB   VAL   7           HB       VAL   7   4.734   3.657   3.657
   64   1HG1  VAL   7          HG13      VAL   7   2.825   2.210   2.210
   65   2HG1  VAL   7          HG11      VAL   7   3.860   1.756   1.756
   66   3HG1  VAL   7          HG12      VAL   7   4.334   1.346   1.346
   67   1HG2  VAL   7          HG23      VAL   7   6.042   4.105   4.105
   68   2HG2  VAL   7          HG21      VAL   7   6.735   3.393   3.393
   69   3HG2  VAL   7          HG22      VAL   7   6.018   2.356   2.356
   70    H    GLU   8           HN       GLU   8   2.977   5.479   5.479
   71    HA   GLU   8           HA       GLU   8   0.480   4.145   4.145
   72   1HB   GLU   8           HB1      GLU   8   1.552   5.242   5.242
   73   2HB   GLU   8           HB2      GLU   8   1.419   6.812   6.812
   74   1HG   GLU   8           HG1      GLU   8  -0.984   6.765   6.765
   75   2HG   GLU   8           HG2      GLU   8  -0.975   5.080   5.080
   76    H    GLN   9           HN       GLN   9   1.110   7.509   7.509
   77    HA   GLN   9           HA       GLN   9  -1.560   8.122   8.122
   78   1HB   GLN   9           HB1      GLN   9   1.006   9.114   9.114
   79   2HB   GLN   9           HB2      GLN   9  -0.578   9.874   9.874
   80   1HG   GLN   9           HG1      GLN   9  -0.036   9.442   9.442
   81   2HG   GLN   9           HG2      GLN   9   1.347  10.262  10.262
   82   1HE2  GLN   9          HE22      GLN   9  -0.904  13.017  13.017
   83   2HE2  GLN   9          HE21      GLN   9   0.171  11.949  11.949
   84    H    GLU  10           HN       GLU  10   0.983   6.432   6.432
   85    HA   GLU  10           HA       GLU  10  -0.204   6.392   6.392
   86   1HB   GLU  10           HB1      GLU  10   2.071   5.571   5.571
   87   2HB   GLU  10           HB2      GLU  10   1.449   4.254   4.254
   88   1HG   GLU  10           HG1      GLU  10   1.787   3.264   3.264
   89   2HG   GLU  10           HG2      GLU  10   0.056   3.602   3.602
   90    H    LEU  11           HN       LEU  11  -0.429   3.860   3.860
   91    HA   LEU  11           HA       LEU  11  -2.486   2.397   2.397
   92   1HB   LEU  11           HB1      LEU  11  -1.916   2.460   2.460
   93   2HB   LEU  11           HB2      LEU  11  -2.733   1.176   1.176
   94    HG   LEU  11           HG       LEU  11  -0.081   1.896   1.896
   95   1HD1  LEU  11          HD13      LEU  11   0.197   2.142   2.142
   96   2HD1  LEU  11          HD11      LEU  11  -0.243   0.440   0.440
   97   3HD1  LEU  11          HD12      LEU  11   1.212   0.905   0.905
   98   1HD2  LEU  11          HD21      LEU  11  -1.876  -0.391  -0.391
   99   2HD2  LEU  11          HD22      LEU  11  -0.598  -0.110  -0.110
  100   3HD2  LEU  11          HD23      LEU  11  -0.209  -0.816  -0.816
  101    H    GLN  12           HN       GLN  12  -2.559   5.377   5.377
  102    HA   GLN  12           HA       GLN  12  -5.141   5.298   5.298
  103   1HB   GLN  12           HB1      GLN  12  -3.337   7.101   7.101
  104   2HB   GLN  12           HB2      GLN  12  -3.908   7.734   7.734
  105   1HG   GLN  12           HG1      GLN  12  -5.985   8.347   8.347
  106   2HG   GLN  12           HG2      GLN  12  -5.886   7.181   7.181
  107   1HE2  GLN  12          HE22      GLN  12  -4.868  10.898  10.898
  108   2HE2  GLN  12          HE21      GLN  12  -5.944  10.402  10.402
  109    H    ALA  13           HN       ALA  13  -4.102   5.850   5.850
  110    HA   ALA  13           HA       ALA  13  -6.572   6.880   6.880
  111   1HB   ALA  13           HB2      ALA  13  -4.082   6.414   6.414
  112   2HB   ALA  13           HB3      ALA  13  -5.034   5.148   5.148
  113   3HB   ALA  13           HB1      ALA  13  -5.502   6.839   6.839
  114    H    LEU  14           HN       LEU  14  -5.324   3.546   3.546
  115    HA   LEU  14           HA       LEU  14  -7.609   2.323   2.323
  116   1HB   LEU  14           HB1      LEU  14  -5.158   1.463   1.463
  117   2HB   LEU  14           HB2      LEU  14  -6.504   0.493   0.493
  118    HG   LEU  14           HG       LEU  14  -7.026   0.689   0.689
  119   1HD1  LEU  14          HD13      LEU  14  -4.224   1.209   1.209
  120   2HD1  LEU  14          HD11      LEU  14  -4.413  -0.333  -0.333
  121   3HD1  LEU  14          HD12      LEU  14  -5.103   1.134   1.134
  122   1HD2  LEU  14          HD22      LEU  14  -6.303  -1.300  -1.300
  123   2HD2  LEU  14          HD23      LEU  14  -7.263  -1.499  -1.499
  124   3HD2  LEU  14          HD21      LEU  14  -5.509  -1.673  -1.673
  125    H    GLU  15           HN       GLU  15  -7.006   3.521   3.521
  126    HA   GLU  15           HA       GLU  15  -9.493   2.192   2.192
  127   1HB   GLU  15           HB1      GLU  15  -6.983   3.092   3.092
  128   2HB   GLU  15           HB2      GLU  15  -8.444   3.464   3.464
  129   1HG   GLU  15           HG1      GLU  15  -7.914   1.304   1.304
  130   2HG   GLU  15           HG2      GLU  15  -9.091   0.982   0.982
  131    H    ALA  16           HN       ALA  16  -8.697   4.961   4.961
  132    HA   ALA  16           HA       ALA  16 -10.154   6.850   6.850
  133   1HB   ALA  16           HB2      ALA  16  -8.313   7.030   7.030
  134   2HB   ALA  16           HB3      ALA  16  -9.799   7.839   7.839
  135   3HB   ALA  16           HB1      ALA  16  -8.970   8.344   8.344
  136    H    ARG  17           HN       ARG  17 -10.862   4.669   4.669
  137    HA   ARG  17           HA       ARG  17 -13.666   5.685   5.685
  138   1HB   ARG  17           HB1      ARG  17 -11.929   6.062   6.062
  139   2HB   ARG  17           HB2      ARG  17 -12.810   4.602   4.602
  140   1HG   ARG  17           HG1      ARG  17 -14.937   5.732   5.732
  141   2HG   ARG  17           HG2      ARG  17 -14.139   7.158   7.158
  142   1HD   ARG  17           HD1      ARG  17 -13.602   6.095   6.095
  143   2HD   ARG  17           HD2      ARG  17 -14.796   7.347   7.347
  144    HE   ARG  17           HE       ARG  17 -11.883   7.684   7.684
  145   1HH1  ARG  17          HH11      ARG  17 -14.374   8.609   8.609
  146   2HH1  ARG  17          HH12      ARG  17 -14.129  10.315  10.315
  147   1HH2  ARG  17          HH21      ARG  17 -11.814   9.978   9.978
  148   2HH2  ARG  17          HH22      ARG  17 -12.680  11.089  11.089
  149    H    GLY  18           HN       GLY  18 -12.226   3.359   3.359
  150   1HA   GLY  18           HA1      GLY  18 -12.620   1.072   1.072
  151   2HA   GLY  18           HA2      GLY  18 -14.220   1.379   1.379
  152    H    THR  19           HN       THR  19 -14.652   0.283   0.283
  153    HA   THR  19           HA       THR  19 -14.296  -0.678  -0.678
  154    HB   THR  19           HB       THR  19 -11.362  -0.059  -0.059
  155    HG1  THR  19           HG1      THR  19 -13.488   1.776   1.776
  156   1HG2  THR  19          HG22      THR  19 -13.510  -0.212  -0.212
  157   2HG2  THR  19          HG23      THR  19 -11.961   0.569   0.569
  158   3HG2  THR  19          HG21      THR  19 -12.014  -1.139  -1.139
  159    H    ASP  20           HN       ASP  20 -14.392  -2.310  -2.310
  160    HA   ASP  20           HA       ASP  20 -13.662  -4.370  -4.370
  161   1HB   ASP  20           HB1      ASP  20 -13.635  -4.452  -4.452
  162   2HB   ASP  20           HB2      ASP  20 -12.259  -5.385  -5.385
  163    H    SER  21           HN       SER  21 -11.947  -2.401  -2.401
  164    HA   SER  21           HA       SER  21  -9.253  -3.555  -3.555
  165   1HB   SER  21           HB1      SER  21  -8.405  -1.303  -1.303
  166   2HB   SER  21           HB2      SER  21  -9.325  -1.260  -1.260
  167    HG   SER  21           HG       SER  21  -9.815   0.100   0.100
  168    H    ASN  22           HN       ASN  22 -11.711  -3.483  -3.483
  169    HA   ASN  22           HA       ASN  22  -9.996  -3.256  -3.256
  170   1HB   ASN  22           HB1      ASN  22 -12.090  -3.601  -3.601
  171   2HB   ASN  22           HB2      ASN  22 -12.276  -2.318  -2.318
  172   1HD2  ASN  22          HD22      ASN  22 -14.647  -4.118  -4.118
  173   2HD2  ASN  22          HD21      ASN  22 -13.636  -2.756  -2.756
  174    H    ALA  23           HN       ALA  23 -10.025  -5.492  -5.492
  175    HA   ALA  23           HA       ALA  23 -10.251  -7.761  -7.761
  176   1HB   ALA  23           HB2      ALA  23 -10.787  -7.565  -7.565
  177   2HB   ALA  23           HB3      ALA  23 -10.356  -9.117  -9.117
  178   3HB   ALA  23           HB1      ALA  23 -11.799  -8.263  -8.263
  179    H    GLU  24           HN       GLU  24  -8.378  -6.504  -6.504
  180    HA   GLU  24           HA       GLU  24  -6.227  -8.410  -8.410
  181   1HB   GLU  24           HB1      GLU  24  -6.255  -5.876  -5.876
  182   2HB   GLU  24           HB2      GLU  24  -5.073  -7.181  -7.181
  183   1HG   GLU  24           HG1      GLU  24  -6.825  -8.742  -8.742
  184   2HG   GLU  24           HG2      GLU  24  -8.050  -7.488  -7.488
  185    H    LEU  25           HN       LEU  25  -7.181  -5.624  -5.624
  186    HA   LEU  25           HA       LEU  25  -4.807  -4.196  -4.196
  187   1HB   LEU  25           HB1      LEU  25  -7.405  -4.477  -4.477
  188   2HB   LEU  25           HB2      LEU  25  -6.126  -4.278  -4.278
  189    HG   LEU  25           HG       LEU  25  -6.232  -2.507  -2.507
  190   1HD1  LEU  25          HD11      LEU  25  -8.458  -2.482  -2.482
  191   2HD1  LEU  25          HD12      LEU  25  -7.587  -1.891  -1.891
  192   3HD1  LEU  25          HD13      LEU  25  -7.625  -0.929  -0.929
  193   1HD2  LEU  25          HD23      LEU  25  -5.098  -2.306  -2.306
  194   2HD2  LEU  25          HD21      LEU  25  -4.201  -2.379  -2.379
  195   3HD2  LEU  25          HD22      LEU  25  -5.147  -0.944  -0.944
  196    H    ARG  26           HN       ARG  26  -5.861  -7.299  -7.299
  197    HA   ARG  26           HA       ARG  26  -3.836  -7.438  -7.438
  198   1HB   ARG  26           HB1      ARG  26  -5.840  -9.272  -9.272
  199   2HB   ARG  26           HB2      ARG  26  -4.419 -10.042 -10.042
  200   1HG   ARG  26           HG1      ARG  26  -5.348  -9.764  -9.764
  201   2HG   ARG  26           HG2      ARG  26  -5.205  -8.019  -8.019
  202   1HD   ARG  26           HD1      ARG  26  -7.512  -9.591  -9.591
  203   2HD   ARG  26           HD2      ARG  26  -7.560  -8.943  -8.943
  204    HE   ARG  26           HE       ARG  26  -7.523  -7.332  -7.332
  205   1HH1  ARG  26          HH11      ARG  26  -6.958  -7.387  -7.387
  206   2HH1  ARG  26          HH12      ARG  26  -7.686  -5.844  -5.844
  207   1HH2  ARG  26          HH21      ARG  26  -8.725  -5.413  -5.413
  208   2HH2  ARG  26          HH22      ARG  26  -8.687  -4.725  -4.725
  209    H    ALA  27           HN       ALA  27  -4.107  -8.804  -8.804
  210    HA   ALA  27           HA       ALA  27  -1.521 -10.050 -10.050
  211   1HB   ALA  27           HB2      ALA  27  -3.683  -9.661  -9.661
  212   2HB   ALA  27           HB3      ALA  27  -2.097  -9.517  -9.517
  213   3HB   ALA  27           HB1      ALA  27  -2.524 -10.984 -10.984
  214    H    MET  28           HN       MET  28  -2.516  -6.795  -6.795
  215    HA   MET  28           HA       MET  28  -0.378  -5.845  -5.845
  216   1HB   MET  28           HB1      MET  28  -2.452  -4.546  -4.546
  217   2HB   MET  28           HB2      MET  28  -1.952  -4.343  -4.343
  218   1HG   MET  28           HG1      MET  28  -1.253  -2.355  -2.355
  219   2HG   MET  28           HG2      MET  28   0.209  -3.324  -3.324
  220   1HE   MET  28           HE2      MET  28   1.750  -3.338  -3.338
  221   2HE   MET  28           HE3      MET  28   1.658  -3.023  -3.023
  222   3HE   MET  28           HE1      MET  28   1.311  -1.731  -1.731
  223    H    GLU  29           HN       GLU  29  -0.725  -6.307  -6.307
  224    HA   GLU  29           HA       GLU  29   1.519  -4.925  -4.925
  225   1HB   GLU  29           HB1      GLU  29   1.520  -6.399  -6.399
  226   2HB   GLU  29           HB2      GLU  29  -0.161  -6.294  -6.294
  227   1HG   GLU  29           HG1      GLU  29   0.211  -8.392  -8.392
  228   2HG   GLU  29           HG2      GLU  29   1.806  -8.521  -8.521
  229    H    ALA  30           HN       ALA  30   1.402  -8.168  -8.168
  230    HA   ALA  30           HA       ALA  30   4.184  -8.732  -8.732
  231   1HB   ALA  30           HB1      ALA  30   2.431 -10.419 -10.419
  232   2HB   ALA  30           HB2      ALA  30   2.298  -9.684  -9.684
  233   3HB   ALA  30           HB3      ALA  30   3.805 -10.456 -10.456
  234    H    LYS  31           HN       LYS  31   2.324  -7.380  -7.380
  235    HA   LYS  31           HA       LYS  31   4.483  -7.011  -7.011
  236   1HB   LYS  31           HB1      LYS  31   1.952  -5.392  -5.392
  237   2HB   LYS  31           HB2      LYS  31   3.067  -5.150  -5.150
  238   1HG   LYS  31           HG1      LYS  31   2.687  -7.369  -7.369
  239   2HG   LYS  31           HG2      LYS  31   1.848  -7.844  -7.844
  240   1HD   LYS  31           HD1      LYS  31  -0.043  -6.500  -6.500
  241   2HD   LYS  31           HD2      LYS  31   0.837  -5.603  -5.603
  242   1HE   LYS  31           HE1      LYS  31   0.254  -7.115  -7.115
  243   2HE   LYS  31           HE2      LYS  31   0.915  -8.429  -8.429
  244   1HZ   LYS  31           HZ2      LYS  31  -1.483  -7.535  -7.535
  245   2HZ   LYS  31           HZ3      LYS  31  -1.762  -7.844  -7.844
  246   3HZ   LYS  31           HZ1      LYS  31  -1.127  -9.063  -9.063
  247    H    LEU  32           HN       LEU  32   3.605  -5.222  -5.222
  248    HA   LEU  32           HA       LEU  32   4.939  -2.774  -2.774
  249   1HB   LEU  32           HB1      LEU  32   3.477  -3.400  -3.400
  250   2HB   LEU  32           HB2      LEU  32   4.925  -4.150  -4.150
  251    HG   LEU  32           HG       LEU  32   5.889  -1.706  -1.706
  252   1HD1  LEU  32          HD12      LEU  32   3.425  -1.129  -1.129
  253   2HD1  LEU  32          HD13      LEU  32   3.199  -1.126  -1.126
  254   3HD1  LEU  32          HD11      LEU  32   4.327   0.007   0.007
  255   1HD2  LEU  32          HD22      LEU  32   4.640  -2.502  -2.502
  256   2HD2  LEU  32          HD23      LEU  32   6.317  -2.750  -2.750
  257   3HD2  LEU  32          HD21      LEU  32   5.709  -1.116  -1.116
  258    H    LYS  33           HN       LYS  33   6.243  -5.484  -5.484
  259    HA   LYS  33           HA       LYS  33   8.925  -4.551  -4.551
  260   1HB   LYS  33           HB1      LYS  33   7.511  -6.950  -6.950
  261   2HB   LYS  33           HB2      LYS  33   9.076  -7.346  -7.346
  262   1HG   LYS  33           HG1      LYS  33   9.472  -5.068  -5.068
  263   2HG   LYS  33           HG2      LYS  33   8.509  -6.212  -6.212
  264   1HD   LYS  33           HD1      LYS  33  10.632  -7.011  -7.011
  265   2HD   LYS  33           HD2      LYS  33  10.276  -7.948  -7.948
  266   1HE   LYS  33           HE1      LYS  33  12.448  -7.022  -7.022
  267   2HE   LYS  33           HE2      LYS  33  11.354  -6.028  -6.028
  268   1HZ   LYS  33           HZ3      LYS  33  12.172  -5.345  -5.345
  269   2HZ   LYS  33           HZ1      LYS  33  12.979  -4.771  -4.771
  270   3HZ   LYS  33           HZ2      LYS  33  11.353  -4.356  -4.356
  271    H    ALA  34           HN       ALA  34   7.222  -6.808  -6.808
  272    HA   ALA  34           HA       ALA  34   9.408  -7.624  -7.624
  273   1HB   ALA  34           HB2      ALA  34   6.478  -7.408  -7.408
  274   2HB   ALA  34           HB3      ALA  34   7.432  -7.440  -7.440
  275   3HB   ALA  34           HB1      ALA  34   7.559  -8.764  -8.764
  276    H    GLU  35           HN       GLU  35   7.794  -4.544  -4.544
  277    HA   GLU  35           HA       GLU  35   8.815  -3.577  -3.577
  278   1HB   GLU  35           HB1      GLU  35   6.787  -2.736  -2.736
  279   2HB   GLU  35           HB2      GLU  35   8.046  -1.678  -1.678
  280   1HG   GLU  35           HG1      GLU  35   8.084  -0.427  -0.427
  281   2HG   GLU  35           HG2      GLU  35   8.084  -1.853  -1.853
  282    H    ILE  36           HN       ILE  36   9.535  -2.602  -2.602
  283    HA   ILE  36           HA       ILE  36  11.770  -1.028  -1.028
  284    HB   ILE  36           HB       ILE  36  11.719  -3.127  -3.127
  285   1HG1  ILE  36          HG11      ILE  36   9.521  -2.220  -2.220
  286   2HG1  ILE  36          HG12      ILE  36  10.445  -1.255  -1.255
  287   1HG2  ILE  36          HG23      ILE  36  12.805  -0.299  -0.299
  288   2HG2  ILE  36          HG21      ILE  36  12.707  -1.153  -1.153
  289   3HG2  ILE  36          HG22      ILE  36  13.729  -1.781  -1.781
  290   1HD1  ILE  36          HD13      ILE  36  10.833   0.139   0.139
  291   2HD1  ILE  36          HD11      ILE  36   9.185  -0.455  -0.455
  292   3HD1  ILE  36          HD12      ILE  36   9.600   0.523   0.523
  293    H    GLN  37           HN       GLN  37  11.553  -4.533  -4.533
  294    HA   GLN  37           HA       GLN  37  14.286  -5.213  -5.213
  295   1HB   GLN  37           HB1      GLN  37  12.552  -6.925  -6.925
  296   2HB   GLN  37           HB2      GLN  37  12.006  -6.373  -6.373
  297   1HG   GLN  37           HG1      GLN  37  13.937  -7.177  -7.177
  298   2HG   GLN  37           HG2      GLN  37  14.865  -7.225  -7.225
  299   1HE2  GLN  37          HE22      GLN  37  14.152 -10.728 -10.728
  300   2HE2  GLN  37          HE21      GLN  37  15.332  -9.549  -9.549
  301    H    LYS  38           HN       LYS  38  12.372  -4.964  -4.964
  302    HA   LYS  38           HA       LYS  38  14.735  -4.434  -4.434
  303   1HB   LYS  38           HB1      LYS  38  11.814  -4.644  -4.644
  304   2HB   LYS  38           HB2      LYS  38  12.748  -3.696  -3.696
  305   1HG   LYS  38           HG1      LYS  38  14.139  -6.149  -6.149
  306   2HG   LYS  38           HG2      LYS  38  12.515  -6.498  -6.498
  307   1HD   LYS  38           HD1      LYS  38  14.554  -4.732  -4.732
  308   2HD   LYS  38           HD2      LYS  38  14.159  -6.388  -6.388
  309   1HE   LYS  38           HE1      LYS  38  11.771  -4.732  -4.732
  310   2HE   LYS  38           HE2      LYS  38  12.893  -4.076  -4.076
  311   1HZ   LYS  38           HZ3      LYS  38  12.931  -6.725  -6.725
  312   2HZ   LYS  38           HZ1      LYS  38  11.309  -6.475  -6.475
  313   3HZ   LYS  38           HZ2      LYS  38  12.001  -5.576  -5.576
  314   1HN   NH2  39          1HN       NH2  39  15.529  -2.240  -2.240
  315   2HN   NH2  39          2HN       NH2  39  14.264  -1.216  -1.216

  Start of MODEL   10
    1   1H2   SIN   0          1H2       SIN   0 -16.842   0.088   0.088
    2   2H2   SIN   0          2H2       SIN   0 -16.354  -1.391  -1.391
    3   1H3   SIN   0          1H3       SIN   0 -14.283  -0.585  -0.585
    4   2H3   SIN   0          2H3       SIN   0 -14.920   0.941   0.941
    5    H    ASP   1           HN       ASP   1 -14.478   2.692   2.692
    6    HA   ASP   1           HA       ASP   1 -12.751   2.079   2.079
    7   1HB   ASP   1           HB1      ASP   1 -14.873   2.567   2.567
    8   2HB   ASP   1           HB2      ASP   1 -14.961   4.125   4.125
    9    H    TRP   2           HN       TRP   2 -14.137   4.527   4.527
   10    HA   TRP   2           HA       TRP   2 -12.197   6.533   6.533
   11   1HB   TRP   2           HB1      TRP   2 -12.915   7.408   7.408
   12   2HB   TRP   2           HB2      TRP   2 -14.338   6.708   6.708
   13    HD1  TRP   2           HD1      TRP   2 -14.963   4.174   4.174
   14    HE1  TRP   2           HE1      TRP   2 -14.727   3.025   3.025
   15    HE3  TRP   2           HE3      TRP   2 -11.578   7.296   7.296
   16    HZ2  TRP   2           HZ2      TRP   2 -13.263   3.397   3.397
   17    HZ3  TRP   2           HZ3      TRP   2 -10.773   6.885   6.885
   18    HH2  TRP   2           HH2      TRP   2 -11.612   4.939   4.939
   19    H    LEU   3           HN       LEU   3 -12.203   3.635   3.635
   20    HA   LEU   3           HA       LEU   3  -9.945   4.146   4.146
   21   1HB   LEU   3           HB1      LEU   3 -11.418   1.749   1.749
   22   2HB   LEU   3           HB2      LEU   3  -9.744   1.459   1.459
   23    HG   LEU   3           HG       LEU   3 -11.167   3.275   3.275
   24   1HD1  LEU   3          HD13      LEU   3 -12.764   1.254   1.254
   25   2HD1  LEU   3          HD11      LEU   3 -12.025   0.493   0.493
   26   3HD1  LEU   3          HD12      LEU   3 -12.931   1.995   1.995
   27   1HD2  LEU   3          HD22      LEU   3  -8.991   1.512   1.512
   28   2HD2  LEU   3          HD23      LEU   3  -9.638   2.394   2.394
   29   3HD2  LEU   3          HD21      LEU   3 -10.188   0.752   0.752
   30    H    LYS   4           HN       LYS   4 -10.113   3.275   3.275
   31    HA   LYS   4           HA       LYS   4  -7.416   2.341   2.341
   32   1HB   LYS   4           HB1      LYS   4  -9.138   3.792   3.792
   33   2HB   LYS   4           HB2      LYS   4  -7.700   2.834   2.834
   34   1HG   LYS   4           HG1      LYS   4  -9.133   1.033   1.033
   35   2HG   LYS   4           HG2      LYS   4 -10.445   1.950   1.950
   36   1HD   LYS   4           HD1      LYS   4  -9.281   1.636   1.636
   37   2HD   LYS   4           HD2      LYS   4  -8.165   0.538   0.538
   38   1HE   LYS   4           HE1      LYS   4  -9.726  -1.016  -1.016
   39   2HE   LYS   4           HE2      LYS   4 -10.499  -0.511  -0.511
   40   1HZ   LYS   4           HZ2      LYS   4 -11.363   1.339   1.339
   41   2HZ   LYS   4           HZ3      LYS   4 -11.309  -0.058  -0.058
   42   3HZ   LYS   4           HZ1      LYS   4 -12.233  -0.047  -0.047
   43    H    ALA   5           HN       ALA   5  -8.864   5.552   5.552
   44    HA   ALA   5           HA       ALA   5  -6.379   6.896   6.896
   45   1HB   ALA   5           HB2      ALA   5  -8.985   7.931   7.931
   46   2HB   ALA   5           HB3      ALA   5  -7.651   8.961   8.961
   47   3HB   ALA   5           HB1      ALA   5  -8.505   7.963   7.963
   48    H    ARG   6           HN       ARG   6  -8.284   6.543   6.543
   49    HA   ARG   6           HA       ARG   6  -6.316   7.865   7.865
   50   1HB   ARG   6           HB1      ARG   6  -7.686   7.277   7.277
   51   2HB   ARG   6           HB2      ARG   6  -8.804   7.548   7.548
   52   1HG   ARG   6           HG1      ARG   6  -9.623   5.502   5.502
   53   2HG   ARG   6           HG2      ARG   6  -8.230   4.890   4.890
   54   1HD   ARG   6           HD1      ARG   6  -8.418   3.902   3.902
   55   2HD   ARG   6           HD2      ARG   6  -6.915   4.796   4.796
   56    HE   ARG   6           HE       ARG   6  -8.980   6.493   6.493
   57   1HH1  ARG   6          HH21      ARG   6  -5.922   5.809   5.809
   58   2HH1  ARG   6          HH22      ARG   6  -6.078   5.458   5.458
   59   1HH2  ARG   6          HH11      ARG   6  -9.540   5.263   5.263
   60   2HH2  ARG   6          HH12      ARG   6  -8.128   5.148   5.148
   61    H    VAL   7           HN       VAL   7  -6.345   4.804   4.804
   62    HA   VAL   7           HA       VAL   7  -4.760   3.538   3.538
   63    HB   VAL   7           HB       VAL   7  -5.910   2.591   2.591
   64   1HG1  VAL   7          HG12      VAL   7  -3.816   1.223   1.223
   65   2HG1  VAL   7          HG13      VAL   7  -4.821   0.366   0.366
   66   3HG1  VAL   7          HG11      VAL   7  -3.704   1.617   1.617
   67   1HG2  VAL   7          HG22      VAL   7  -6.808   2.583   2.583
   68   2HG2  VAL   7          HG23      VAL   7  -7.421   1.555   1.555
   69   3HG2  VAL   7          HG21      VAL   7  -6.166   0.954   0.954
   70    H    GLU   8           HN       GLU   8  -4.323   4.170   4.170
   71    HA   GLU   8           HA       GLU   8  -1.621   3.571   3.571
   72   1HB   GLU   8           HB1      GLU   8  -1.541   5.210   5.210
   73   2HB   GLU   8           HB2      GLU   8  -3.068   4.328   4.328
   74   1HG   GLU   8           HG1      GLU   8  -4.053   6.244   6.244
   75   2HG   GLU   8           HG2      GLU   8  -2.570   7.132   7.132
   76    H    GLN   9           HN       GLN   9  -3.037   6.593   6.593
   77    HA   GLN   9           HA       GLN   9  -0.579   7.988   7.988
   78   1HB   GLN   9           HB1      GLN   9  -2.669   9.196   9.196
   79   2HB   GLN   9           HB2      GLN   9  -3.230   8.204   8.204
   80   1HG   GLN   9           HG1      GLN   9  -2.276   9.657   9.657
   81   2HG   GLN   9           HG2      GLN   9  -0.699   9.277   9.277
   82   1HE2  GLN   9          HE22      GLN   9  -0.682  12.756  12.756
   83   2HE2  GLN   9          HE21      GLN   9  -0.093  11.593  11.593
   84    H    GLU  10           HN       GLU  10  -2.497   6.042   6.042
   85    HA   GLU  10           HA       GLU  10  -0.813   6.312   6.312
   86   1HB   GLU  10           HB1      GLU  10  -2.972   4.582   4.582
   87   2HB   GLU  10           HB2      GLU  10  -1.728   3.635   3.635
   88   1HG   GLU  10           HG1      GLU  10  -2.379   6.232   6.232
   89   2HG   GLU  10           HG2      GLU  10  -3.671   5.031   5.031
   90    H    LEU  11           HN       LEU  11  -0.514   4.144   4.144
   91    HA   LEU  11           HA       LEU  11   1.695   2.651   2.651
   92   1HB   LEU  11           HB1      LEU  11   0.732   2.987   2.987
   93   2HB   LEU  11           HB2      LEU  11   1.981   1.847   1.847
   94    HG   LEU  11           HG       LEU  11  -0.713   1.857   1.857
   95   1HD1  LEU  11          HD11      LEU  11   0.038   0.371   0.371
   96   2HD1  LEU  11          HD12      LEU  11  -1.443   0.127   0.127
   97   3HD1  LEU  11          HD13      LEU  11  -1.152   1.668   1.668
   98   1HD2  LEU  11          HD22      LEU  11   1.711   0.167   0.167
   99   2HD2  LEU  11          HD23      LEU  11   0.521   0.341   0.341
  100   3HD2  LEU  11          HD21      LEU  11   0.189  -0.722  -0.722
  101    H    GLN  12           HN       GLN  12   1.412   5.552   5.552
  102    HA   GLN  12           HA       GLN  12   4.156   5.709   5.709
  103   1HB   GLN  12           HB1      GLN  12   1.888   7.185   7.185
  104   2HB   GLN  12           HB2      GLN  12   2.831   8.288   8.288
  105   1HG   GLN  12           HG1      GLN  12   4.585   7.019   7.019
  106   2HG   GLN  12           HG2      GLN  12   3.202   7.685   7.685
  107   1HE2  GLN  12          HE22      GLN  12   3.958  11.086  11.086
  108   2HE2  GLN  12          HE21      GLN  12   2.647  10.057  10.057
  109    H    ALA  13           HN       ALA  13   2.507   6.615   6.615
  110    HA   ALA  13           HA       ALA  13   4.507   8.333   8.333
  111   1HB   ALA  13           HB2      ALA  13   2.120   7.811   7.811
  112   2HB   ALA  13           HB3      ALA  13   2.872   6.437   6.437
  113   3HB   ALA  13           HB1      ALA  13   3.390   8.079   8.079
  114    H    LEU  14           HN       LEU  14   3.978   4.846   4.846
  115    HA   LEU  14           HA       LEU  14   6.528   4.592   4.592
  116   1HB   LEU  14           HB1      LEU  14   4.625   2.508   2.508
  117   2HB   LEU  14           HB2      LEU  14   6.038   2.138   2.138
  118    HG   LEU  14           HG       LEU  14   4.654   4.166   4.166
  119   1HD1  LEU  14          HD13      LEU  14   2.856   2.322   2.322
  120   2HD1  LEU  14          HD11      LEU  14   2.478   2.572   2.572
  121   3HD1  LEU  14          HD12      LEU  14   2.547   3.950   3.950
  122   1HD2  LEU  14          HD21      LEU  14   5.243   1.260   1.260
  123   2HD2  LEU  14          HD22      LEU  14   5.654   2.607   2.607
  124   3HD2  LEU  14          HD23      LEU  14   4.021   1.942   1.942
  125    H    GLU  15           HN       GLU  15   5.644   4.747   4.747
  126    HA   GLU  15           HA       GLU  15   7.963   3.129   3.129
  127   1HB   GLU  15           HB1      GLU  15   5.721   4.513   4.513
  128   2HB   GLU  15           HB2      GLU  15   7.071   3.716   3.716
  129   1HG   GLU  15           HG1      GLU  15   5.755   2.103   2.103
  130   2HG   GLU  15           HG2      GLU  15   4.742   2.461   2.461
  131    H    ALA  16           HN       ALA  16   7.211   6.346   6.346
  132    HA   ALA  16           HA       ALA  16   8.692   7.861   7.861
  133   1HB   ALA  16           HB1      ALA  16   7.293   8.579   8.579
  134   2HB   ALA  16           HB2      ALA  16   8.857   8.508   8.508
  135   3HB   ALA  16           HB3      ALA  16   8.623   9.594   9.594
  136    H    ARG  17           HN       ARG  17   9.835   6.254   6.254
  137    HA   ARG  17           HA       ARG  17  12.485   5.909   5.909
  138   1HB   ARG  17           HB1      ARG  17  12.196   8.258   8.258
  139   2HB   ARG  17           HB2      ARG  17  12.567   7.241   7.241
  140   1HG   ARG  17           HG1      ARG  17  14.450   6.355   6.355
  141   2HG   ARG  17           HG2      ARG  17  14.286   8.020   8.020
  142   1HD   ARG  17           HD1      ARG  17  14.558   8.753   8.753
  143   2HD   ARG  17           HD2      ARG  17  14.965   7.082   7.082
  144    HE   ARG  17           HE       ARG  17  16.555   8.429   8.429
  145   1HH1  ARG  17          HH21      ARG  17  16.914   5.861   5.861
  146   2HH1  ARG  17          HH22      ARG  17  18.302   6.382   6.382
  147   1HH2  ARG  17          HH11      ARG  17  18.058   9.682   9.682
  148   2HH2  ARG  17          HH12      ARG  17  18.951   8.545   8.545
  149    H    GLY  18           HN       GLY  18  11.202   3.763   3.763
  150   1HA   GLY  18           HA1      GLY  18  11.409   2.890   2.890
  151   2HA   GLY  18           HA2      GLY  18  10.698   1.961   1.961
  152    H    THR  19           HN       THR  19  13.899   3.513   3.513
  153    HA   THR  19           HA       THR  19  16.008   2.575   2.575
  154    HB   THR  19           HB       THR  19  16.560   0.632   0.632
  155    HG1  THR  19           HG1      THR  19  14.846  -0.620  -0.620
  156   1HG2  THR  19          HG23      THR  19  15.539   3.187   3.187
  157   2HG2  THR  19          HG21      THR  19  15.126   1.978   1.978
  158   3HG2  THR  19          HG22      THR  19  16.809   2.215   2.215
  159    H    ASP  20           HN       ASP  20  15.214   2.194   2.194
  160    HA   ASP  20           HA       ASP  20  15.354   0.756   0.756
  161   1HB   ASP  20           HB1      ASP  20  16.819  -0.592  -0.592
  162   2HB   ASP  20           HB2      ASP  20  15.456  -1.704  -1.704
  163    H    SER  21           HN       SER  21  12.891   1.594   1.594
  164    HA   SER  21           HA       SER  21  11.151  -0.764  -0.764
  165   1HB   SER  21           HB1      SER  21  10.954   2.016   2.016
  166   2HB   SER  21           HB2      SER  21   9.619   1.593   1.593
  167    HG   SER  21           HG       SER  21  10.364   0.266   0.266
  168    H    ASN  22           HN       ASN  22  12.767   0.054   0.054
  169    HA   ASN  22           HA       ASN  22  10.581   0.548   0.548
  170   1HB   ASN  22           HB1      ASN  22  13.017   1.549   1.549
  171   2HB   ASN  22           HB2      ASN  22  13.425   0.003   0.003
  172   1HD2  ASN  22          HD22      ASN  22  12.124   2.694   2.694
  173   2HD2  ASN  22          HD21      ASN  22  13.118   2.904   2.904
  174    H    ALA  23           HN       ALA  23  10.923  -2.014  -2.014
  175    HA   ALA  23           HA       ALA  23  11.026  -3.843  -3.843
  176   1HB   ALA  23           HB3      ALA  23  12.402  -3.963  -3.963
  177   2HB   ALA  23           HB1      ALA  23  11.608  -5.464  -5.464
  178   3HB   ALA  23           HB2      ALA  23  12.821  -4.736  -4.736
  179    H    GLU  24           HN       GLU  24   9.731  -3.371  -3.371
  180    HA   GLU  24           HA       GLU  24   7.800  -5.449  -5.449
  181   1HB   GLU  24           HB1      GLU  24   8.137  -2.922  -2.922
  182   2HB   GLU  24           HB2      GLU  24   6.557  -3.702  -3.702
  183   1HG   GLU  24           HG1      GLU  24   8.523  -5.743  -5.743
  184   2HG   GLU  24           HG2      GLU  24   8.955  -4.439  -4.439
  185    H    LEU  25           HN       LEU  25   7.966  -2.506  -2.506
  186    HA   LEU  25           HA       LEU  25   5.355  -1.650  -1.650
  187   1HB   LEU  25           HB1      LEU  25   7.514  -2.035  -2.035
  188   2HB   LEU  25           HB2      LEU  25   6.000  -1.186  -1.186
  189    HG   LEU  25           HG       LEU  25   7.690  -0.410  -0.410
  190   1HD1  LEU  25          HD13      LEU  25   8.216   0.123   0.123
  191   2HD1  LEU  25          HD11      LEU  25   8.527   1.410   1.410
  192   3HD1  LEU  25          HD12      LEU  25   9.363  -0.136  -0.136
  193   1HD2  LEU  25          HD21      LEU  25   5.750   1.024   1.024
  194   2HD2  LEU  25          HD22      LEU  25   5.461   0.552   0.552
  195   3HD2  LEU  25          HD23      LEU  25   6.642   1.808   1.808
  196    H    ARG  26           HN       ARG  26   6.785  -4.653  -4.653
  197    HA   ARG  26           HA       ARG  26   4.636  -5.353  -5.353
  198   1HB   ARG  26           HB1      ARG  26   6.717  -7.034  -7.034
  199   2HB   ARG  26           HB2      ARG  26   5.585  -7.680  -7.680
  200   1HG   ARG  26           HG1      ARG  26   7.585  -5.450  -5.450
  201   2HG   ARG  26           HG2      ARG  26   7.741  -7.112  -7.112
  202   1HD   ARG  26           HD1      ARG  26   6.767  -6.208  -6.208
  203   2HD   ARG  26           HD2      ARG  26   5.294  -6.561  -6.561
  204    HE   ARG  26           HE       ARG  26   4.934  -4.242  -4.242
  205   1HH1  ARG  26          HH21      ARG  26   8.287  -4.939  -4.939
  206   2HH1  ARG  26          HH22      ARG  26   8.790  -3.309  -3.309
  207   1HH2  ARG  26          HH11      ARG  26   5.572  -2.136  -2.136
  208   2HH2  ARG  26          HH12      ARG  26   7.252  -1.722  -1.722
  209    H    ALA  27           HN       ALA  27   5.393  -6.308  -6.308
  210    HA   ALA  27           HA       ALA  27   3.115  -7.959  -7.959
  211   1HB   ALA  27           HB2      ALA  27   4.670  -6.286  -6.286
  212   2HB   ALA  27           HB3      ALA  27   3.492  -7.524  -7.524
  213   3HB   ALA  27           HB1      ALA  27   4.970  -7.975  -7.975
  214    H    MET  28           HN       MET  28   3.329  -4.580  -4.580
  215    HA   MET  28           HA       MET  28   1.176  -3.691  -3.691
  216   1HB   MET  28           HB1      MET  28   2.874  -2.264  -2.264
  217   2HB   MET  28           HB2      MET  28   1.870  -2.534  -2.534
  218   1HG   MET  28           HG1      MET  28  -0.062  -1.554  -1.554
  219   2HG   MET  28           HG2      MET  28   0.897  -1.344  -1.344
  220   1HE   MET  28           HE3      MET  28  -0.575  -0.123  -0.123
  221   2HE   MET  28           HE1      MET  28   0.115   1.458   1.458
  222   3HE   MET  28           HE2      MET  28   0.747   0.001   0.001
  223    H    GLU  29           HN       GLU  29   1.234  -4.953  -4.953
  224    HA   GLU  29           HA       GLU  29  -1.474  -4.475  -4.475
  225   1HB   GLU  29           HB1      GLU  29   0.705  -5.963  -5.963
  226   2HB   GLU  29           HB2      GLU  29  -0.697  -7.032  -7.032
  227   1HG   GLU  29           HG1      GLU  29  -1.807  -5.837  -5.837
  228   2HG   GLU  29           HG2      GLU  29  -1.286  -4.290  -4.290
  229    H    ALA  30           HN       ALA  30  -0.033  -7.338  -7.338
  230    HA   ALA  30           HA       ALA  30  -2.514  -8.721  -8.721
  231   1HB   ALA  30           HB1      ALA  30   0.239  -9.128  -9.128
  232   2HB   ALA  30           HB2      ALA  30  -0.729  -9.421  -9.421
  233   3HB   ALA  30           HB3      ALA  30  -1.062 -10.317 -10.317
  234    H    LYS  31           HN       LYS  31  -0.768  -6.414  -6.414
  235    HA   LYS  31           HA       LYS  31  -2.384  -6.729  -6.729
  236   1HB   LYS  31           HB1      LYS  31  -0.416  -4.781  -4.781
  237   2HB   LYS  31           HB2      LYS  31  -1.621  -4.096  -4.096
  238   1HG   LYS  31           HG1      LYS  31  -0.615  -5.061  -5.061
  239   2HG   LYS  31           HG2      LYS  31  -0.738  -6.649  -6.649
  240   1HD   LYS  31           HD1      LYS  31   1.510  -6.604  -6.604
  241   2HD   LYS  31           HD2      LYS  31   1.291  -5.344  -5.344
  242   1HE   LYS  31           HE1      LYS  31   1.039  -3.920  -3.920
  243   2HE   LYS  31           HE2      LYS  31   2.237  -5.133  -5.133
  244   1HZ   LYS  31           HZ1      LYS  31   3.529  -4.526  -4.526
  245   2HZ   LYS  31           HZ2      LYS  31   2.378  -3.350  -3.350
  246   3HZ   LYS  31           HZ3      LYS  31   3.287  -3.181  -3.181
  247    H    LEU  32           HN       LEU  32  -2.823  -4.814  -4.814
  248    HA   LEU  32           HA       LEU  32  -4.857  -3.066  -3.066
  249   1HB   LEU  32           HB1      LEU  32  -3.925  -4.145  -4.145
  250   2HB   LEU  32           HB2      LEU  32  -5.655  -3.799  -3.799
  251    HG   LEU  32           HG       LEU  32  -4.268  -1.662  -1.662
  252   1HD1  LEU  32          HD13      LEU  32  -3.116  -2.608  -2.608
  253   2HD1  LEU  32          HD11      LEU  32  -3.116  -0.890  -0.890
  254   3HD1  LEU  32          HD12      LEU  32  -2.271  -2.040  -2.040
  255   1HD2  LEU  32          HD21      LEU  32  -6.503  -1.865  -1.865
  256   2HD2  LEU  32          HD22      LEU  32  -5.604  -0.348  -0.348
  257   3HD2  LEU  32          HD23      LEU  32  -5.449  -1.454  -1.454
  258    H    LYS  33           HN       LYS  33  -5.372  -6.230  -6.230
  259    HA   LYS  33           HA       LYS  33  -8.163  -6.339  -6.339
  260   1HB   LYS  33           HB1      LYS  33  -6.379  -7.921  -7.921
  261   2HB   LYS  33           HB2      LYS  33  -6.735  -8.924  -8.924
  262   1HG   LYS  33           HG1      LYS  33  -9.235  -8.258  -8.258
  263   2HG   LYS  33           HG2      LYS  33  -8.574  -7.964  -7.964
  264   1HD   LYS  33           HD1      LYS  33  -8.297 -10.547 -10.547
  265   2HD   LYS  33           HD2      LYS  33  -9.404 -10.287 -10.287
  266   1HE   LYS  33           HE1      LYS  33  -6.569  -9.591  -9.591
  267   2HE   LYS  33           HE2      LYS  33  -6.897 -11.308 -11.308
  268   1HZ   LYS  33           HZ2      LYS  33  -8.394  -9.555  -9.555
  269   2HZ   LYS  33           HZ3      LYS  33  -7.114 -10.573 -10.573
  270   3HZ   LYS  33           HZ1      LYS  33  -8.545 -11.240 -11.240
  271    H    ALA  34           HN       ALA  34  -5.481  -6.809  -6.809
  272    HA   ALA  34           HA       ALA  34  -6.761  -8.518  -8.518
  273   1HB   ALA  34           HB2      ALA  34  -4.268  -7.096  -7.096
  274   2HB   ALA  34           HB3      ALA  34  -4.948  -6.813  -6.813
  275   3HB   ALA  34           HB1      ALA  34  -4.658  -8.461  -8.461
  276    H    GLU  35           HN       GLU  35  -6.757  -5.031  -5.031
  277    HA   GLU  35           HA       GLU  35  -8.222  -4.560  -4.560
  278   1HB   GLU  35           HB1      GLU  35  -7.078  -2.825  -2.825
  279   2HB   GLU  35           HB2      GLU  35  -8.308  -2.165  -2.165
  280   1HG   GLU  35           HG1      GLU  35  -6.778  -3.219  -3.219
  281   2HG   GLU  35           HG2      GLU  35  -5.532  -3.111  -3.111
  282    H    ILE  36           HN       ILE  36  -8.869  -3.700  -3.700
  283    HA   ILE  36           HA       ILE  36 -11.584  -3.108  -3.108
  284    HB   ILE  36           HB       ILE  36 -11.699  -4.169  -4.169
  285   1HG1  ILE  36          HG11      ILE  36  -8.718  -3.825  -3.825
  286   2HG1  ILE  36          HG12      ILE  36  -9.449  -5.380  -5.380
  287   1HG2  ILE  36          HG21      ILE  36 -10.604  -1.697  -1.697
  288   2HG2  ILE  36          HG22      ILE  36  -9.887  -2.096  -2.096
  289   3HG2  ILE  36          HG23      ILE  36 -11.637  -1.936  -1.936
  290   1HD1  ILE  36          HD11      ILE  36 -10.319  -4.064  -4.064
  291   2HD1  ILE  36          HD12      ILE  36  -8.704  -4.770  -4.770
  292   3HD1  ILE  36          HD13      ILE  36 -10.113  -5.778  -5.778
  293    H    GLN  37           HN       GLN  37 -10.051  -6.280  -6.280
  294    HA   GLN  37           HA       GLN  37 -12.196  -7.967  -7.967
  295   1HB   GLN  37           HB1      GLN  37  -9.733  -8.165  -8.165
  296   2HB   GLN  37           HB2      GLN  37 -11.002  -9.322  -9.322
  297   1HG   GLN  37           HG1      GLN  37 -10.011  -8.838  -8.838
  298   2HG   GLN  37           HG2      GLN  37  -9.384 -10.114 -10.114
  299   1HE2  GLN  37          HE22      GLN  37 -11.968 -12.012 -12.012
  300   2HE2  GLN  37          HE21      GLN  37 -10.313 -11.639 -11.639
  301    H    LYS  38           HN       LYS  38 -11.242  -7.021  -7.021
  302    HA   LYS  38           HA       LYS  38 -13.801  -7.824  -7.824
  303   1HB   LYS  38           HB1      LYS  38 -11.457  -6.292  -6.292
  304   2HB   LYS  38           HB2      LYS  38 -12.934  -6.540  -6.540
  305   1HG   LYS  38           HG1      LYS  38 -11.822  -8.444  -8.444
  306   2HG   LYS  38           HG2      LYS  38 -12.522  -9.069  -9.069
  307   1HD   LYS  38           HD1      LYS  38 -10.497  -9.191  -9.191
  308   2HD   LYS  38           HD2      LYS  38  -9.993  -7.620  -7.620
  309   1HE   LYS  38           HE1      LYS  38  -9.636  -8.723  -8.723
  310   2HE   LYS  38           HE2      LYS  38  -9.937 -10.275 -10.275
  311   1HZ   LYS  38           HZ3      LYS  38  -7.912  -8.400  -8.400
  312   2HZ   LYS  38           HZ1      LYS  38  -7.536  -9.485  -9.485
  313   3HZ   LYS  38           HZ2      LYS  38  -8.047 -10.073 -10.073
  314   1HN   NH2  39          1HN       NH2  39 -14.430  -5.101  -5.101
  315   2HN   NH2  39          2HN       NH2  39 -15.639  -5.924  -5.924

  Start of MODEL   11
    1   1H2   SIN   0          1H2       SIN   0 -16.010   2.099   2.099
    2   2H2   SIN   0          2H2       SIN   0 -15.394   3.453   3.453
    3   1H3   SIN   0          1H3       SIN   0 -16.260   1.534   1.534
    4   2H3   SIN   0          2H3       SIN   0 -15.379   0.632   0.632
    5    H    ASP   1           HN       ASP   1 -14.953   2.386   2.386
    6    HA   ASP   1           HA       ASP   1 -12.466   1.032   1.032
    7   1HB   ASP   1           HB1      ASP   1 -14.162   2.035   2.035
    8   2HB   ASP   1           HB2      ASP   1 -12.574   2.748   2.748
    9    H    TRP   2           HN       TRP   2 -13.220   4.500   4.500
   10    HA   TRP   2           HA       TRP   2 -10.649   5.522   5.522
   11   1HB   TRP   2           HB1      TRP   2 -11.427   7.560   7.560
   12   2HB   TRP   2           HB2      TRP   2 -12.770   6.865   6.865
   13    HD1  TRP   2           HD1      TRP   2 -14.524   5.370   5.370
   14    HE1  TRP   2           HE1      TRP   2 -15.366   5.717   5.717
   15    HE3  TRP   2           HE3      TRP   2 -10.841   8.402   8.402
   16    HZ2  TRP   2           HZ2      TRP   2 -14.549   7.113   7.113
   17    HZ3  TRP   2           HZ3      TRP   2 -10.887   9.236   9.236
   18    HH2  TRP   2           HH2      TRP   2 -12.737   8.591   8.591
   19    H    LEU   3           HN       LEU   3 -12.115   4.205   4.205
   20    HA   LEU   3           HA       LEU   3 -10.262   5.160   5.160
   21   1HB   LEU   3           HB1      LEU   3 -12.369   3.286   3.286
   22   2HB   LEU   3           HB2      LEU   3 -10.956   2.427   2.427
   23    HG   LEU   3           HG       LEU   3 -10.745   4.861   4.861
   24   1HD1  LEU   3          HD11      LEU   3 -13.250   5.005   5.005
   25   2HD1  LEU   3          HD12      LEU   3 -13.595   4.259   4.259
   26   3HD1  LEU   3          HD13      LEU   3 -12.764   5.812   5.812
   27   1HD2  LEU   3          HD23      LEU   3 -11.003   2.218   2.218
   28   2HD2  LEU   3          HD21      LEU   3 -10.840   3.550   3.550
   29   3HD2  LEU   3          HD22      LEU   3 -12.440   2.931   2.931
   30    H    LYS   4           HN       LYS   4 -10.000   2.406   2.406
   31    HA   LYS   4           HA       LYS   4  -7.737   1.117   1.117
   32   1HB   LYS   4           HB1      LYS   4  -9.088   1.134   1.134
   33   2HB   LYS   4           HB2      LYS   4  -7.448   1.633   1.633
   34   1HG   LYS   4           HG1      LYS   4  -6.915  -0.565  -0.565
   35   2HG   LYS   4           HG2      LYS   4  -7.064  -0.443  -0.443
   36   1HD   LYS   4           HD1      LYS   4  -8.772  -1.911  -1.911
   37   2HD   LYS   4           HD2      LYS   4  -9.700  -0.678  -0.678
   38   1HE   LYS   4           HE1      LYS   4  -8.045  -1.665  -1.665
   39   2HE   LYS   4           HE2      LYS   4  -8.415  -3.108  -3.108
   40   1HZ   LYS   4           HZ1      LYS   4 -10.794  -1.772  -1.772
   41   2HZ   LYS   4           HZ2      LYS   4 -10.100  -1.607  -1.607
   42   3HZ   LYS   4           HZ3      LYS   4 -10.340  -3.151  -3.151
   43    H    ALA   5           HN       ALA   5  -7.946   4.159   4.159
   44    HA   ALA   5           HA       ALA   5  -5.092   4.635   4.635
   45   1HB   ALA   5           HB2      ALA   5  -7.472   5.919   5.919
   46   2HB   ALA   5           HB3      ALA   5  -6.557   7.098   7.098
   47   3HB   ALA   5           HB1      ALA   5  -5.800   6.283   6.283
   48    H    ARG   6           HN       ARG   6  -7.743   5.559   5.559
   49    HA   ARG   6           HA       ARG   6  -6.413   7.339   7.339
   50   1HB   ARG   6           HB1      ARG   6  -8.584   5.295   5.295
   51   2HB   ARG   6           HB2      ARG   6  -7.934   6.180   6.180
   52   1HG   ARG   6           HG1      ARG   6  -8.690   7.782   7.782
   53   2HG   ARG   6           HG2      ARG   6 -10.006   7.097   7.097
   54   1HD   ARG   6           HD1      ARG   6  -9.659   9.132   9.132
   55   2HD   ARG   6           HD2      ARG   6  -8.637   8.053   8.053
   56    HE   ARG   6           HE       ARG   6  -7.327   9.436   9.436
   57   1HH1  ARG   6          HH11      ARG   6  -6.605   8.208   8.208
   58   2HH1  ARG   6          HH12      ARG   6  -5.899   9.633   9.633
   59   1HH2  ARG   6          HH21      ARG   6  -7.025  11.728  11.728
   60   2HH2  ARG   6          HH22      ARG   6  -6.134  11.626  11.626
   61    H    VAL   7           HN       VAL   7  -6.254   3.819   3.819
   62    HA   VAL   7           HA       VAL   7  -4.647   3.586   3.586
   63    HB   VAL   7           HB       VAL   7  -4.946   1.438   1.438
   64   1HG1  VAL   7          HG11      VAL   7  -3.563   1.198   1.198
   65   2HG1  VAL   7          HG12      VAL   7  -5.086   1.293   1.293
   66   3HG1  VAL   7          HG13      VAL   7  -4.805  -0.028  -0.028
   67   1HG2  VAL   7          HG21      VAL   7  -7.096   2.852   2.852
   68   2HG2  VAL   7          HG22      VAL   7  -7.193   1.550   1.550
   69   3HG2  VAL   7          HG23      VAL   7  -7.052   1.172   1.172
   70    H    GLU   8           HN       GLU   8  -4.101   3.736   3.736
   71    HA   GLU   8           HA       GLU   8  -1.405   2.788   2.788
   72   1HB   GLU   8           HB1      GLU   8  -2.925   4.660   4.660
   73   2HB   GLU   8           HB2      GLU   8  -1.249   4.202   4.202
   74   1HG   GLU   8           HG1      GLU   8  -2.674   1.815   1.815
   75   2HG   GLU   8           HG2      GLU   8  -3.644   2.716   2.716
   76    H    GLN   9           HN       GLN   9  -2.539   6.187   6.187
   77    HA   GLN   9           HA       GLN   9  -0.062   7.437   7.437
   78   1HB   GLN   9           HB1      GLN   9  -2.853   8.181   8.181
   79   2HB   GLN   9           HB2      GLN   9  -1.835   8.982   8.982
   80   1HG   GLN   9           HG1      GLN   9  -0.561  10.073  10.073
   81   2HG   GLN   9           HG2      GLN   9  -0.961   8.891   8.891
   82   1HE2  GLN   9          HE21      GLN   9  -1.878  11.929  11.929
   83   2HE2  GLN   9          HE22      GLN   9  -3.303  12.153  12.153
   84    H    GLU  10           HN       GLU  10  -2.161   6.001   6.001
   85    HA   GLU  10           HA       GLU  10  -0.823   6.989   6.989
   86   1HB   GLU  10           HB1      GLU  10  -2.920   5.850   5.850
   87   2HB   GLU  10           HB2      GLU  10  -2.298   4.390   4.390
   88   1HG   GLU  10           HG1      GLU  10  -1.290   3.683   3.683
   89   2HG   GLU  10           HG2      GLU  10  -0.689   5.297   5.297
   90    H    LEU  11           HN       LEU  11  -0.370   3.791   3.791
   91    HA   LEU  11           HA       LEU  11   1.972   3.157   3.157
   92   1HB   LEU  11           HB1      LEU  11   0.992   2.122   2.122
   93   2HB   LEU  11           HB2      LEU  11   2.345   1.424   1.424
   94    HG   LEU  11           HG       LEU  11   0.007   1.794   1.794
   95   1HD1  LEU  11          HD12      LEU  11  -0.849   1.291   1.291
   96   2HD1  LEU  11          HD13      LEU  11  -0.405  -0.357  -0.357
   97   3HD1  LEU  11          HD11      LEU  11  -1.595   0.525   0.525
   98   1HD2  LEU  11          HD22      LEU  11   2.000   0.368   0.368
   99   2HD2  LEU  11          HD23      LEU  11   0.491  -0.541  -0.541
  100   3HD2  LEU  11          HD21      LEU  11   1.536  -0.684  -0.684
  101    H    GLN  12           HN       GLN  12   1.495   5.315   5.315
  102    HA   GLN  12           HA       GLN  12   3.993   5.144   5.144
  103   1HB   GLN  12           HB1      GLN  12   1.766   6.937   6.937
  104   2HB   GLN  12           HB2      GLN  12   3.240   7.894   7.894
  105   1HG   GLN  12           HG1      GLN  12   3.784   5.912   5.912
  106   2HG   GLN  12           HG2      GLN  12   2.187   6.556   6.556
  107   1HE2  GLN  12          HE22      GLN  12   3.446   9.896   9.896
  108   2HE2  GLN  12          HE21      GLN  12   2.088   9.073   9.073
  109    H    ALA  13           HN       ALA  13   3.052   7.081   7.081
  110    HA   ALA  13           HA       ALA  13   5.698   8.189   8.189
  111   1HB   ALA  13           HB3      ALA  13   3.175   8.052   8.052
  112   2HB   ALA  13           HB1      ALA  13   4.673   8.542   8.542
  113   3HB   ALA  13           HB2      ALA  13   4.055   9.468   9.468
  114    H    LEU  14           HN       LEU  14   4.054   5.276   5.276
  115    HA   LEU  14           HA       LEU  14   5.826   4.546   4.546
  116   1HB   LEU  14           HB1      LEU  14   3.589   3.417   3.417
  117   2HB   LEU  14           HB2      LEU  14   4.889   2.254   2.254
  118    HG   LEU  14           HG       LEU  14   5.381   2.230   2.230
  119   1HD1  LEU  14          HD12      LEU  14   3.786   4.644   4.644
  120   2HD1  LEU  14          HD13      LEU  14   3.140   3.523   3.523
  121   3HD1  LEU  14          HD11      LEU  14   4.823   4.043   4.043
  122   1HD2  LEU  14          HD21      LEU  14   2.461   1.846   1.846
  123   2HD2  LEU  14          HD22      LEU  14   3.732   0.623   0.623
  124   3HD2  LEU  14          HD23      LEU  14   3.171   1.292   1.292
  125    H    GLU  15           HN       GLU  15   5.987   4.060   4.060
  126    HA   GLU  15           HA       GLU  15   8.529   2.572   2.572
  127   1HB   GLU  15           HB1      GLU  15   8.381   2.376   2.376
  128   2HB   GLU  15           HB2      GLU  15   6.925   1.783   1.783
  129   1HG   GLU  15           HG1      GLU  15   5.728   3.803   3.803
  130   2HG   GLU  15           HG2      GLU  15   7.202   4.611   4.611
  131    H    ALA  16           HN       ALA  16   7.661   5.752   5.752
  132    HA   ALA  16           HA       ALA  16   9.636   6.874   6.874
  133   1HB   ALA  16           HB1      ALA  16   8.028   8.024   8.024
  134   2HB   ALA  16           HB2      ALA  16   9.178   8.986   8.986
  135   3HB   ALA  16           HB3      ALA  16   7.777   8.272   8.272
  136    H    ARG  17           HN       ARG  17   9.719   5.563   5.563
  137    HA   ARG  17           HA       ARG  17  12.538   5.569   5.569
  138   1HB   ARG  17           HB1      ARG  17  12.806   7.347   7.347
  139   2HB   ARG  17           HB2      ARG  17  12.499   7.968   7.968
  140   1HG   ARG  17           HG1      ARG  17  10.040   8.053   8.053
  141   2HG   ARG  17           HG2      ARG  17  10.511   7.681   7.681
  142   1HD   ARG  17           HD1      ARG  17  12.224   9.754   9.754
  143   2HD   ARG  17           HD2      ARG  17  10.688  10.208  10.208
  144    HE   ARG  17           HE       ARG  17   9.694  10.274  10.274
  145   1HH1  ARG  17          HH11      ARG  17  11.485   8.080   8.080
  146   2HH1  ARG  17          HH12      ARG  17  12.426   8.992   8.992
  147   1HH2  ARG  17          HH21      ARG  17  11.583  12.065  12.065
  148   2HH2  ARG  17          HH22      ARG  17  12.481  11.246  11.246
  149    H    GLY  18           HN       GLY  18  11.585   3.464   3.464
  150   1HA   GLY  18           HA1      GLY  18  10.851   3.536   3.536
  151   2HA   GLY  18           HA2      GLY  18  10.148   2.370   2.370
  152    H    THR  19           HN       THR  19  11.588   0.723   0.723
  153    HA   THR  19           HA       THR  19  14.333   0.447   0.447
  154    HB   THR  19           HB       THR  19  13.377  -1.630  -1.630
  155    HG1  THR  19           HG1      THR  19  11.450  -0.543  -0.543
  156   1HG2  THR  19          HG22      THR  19  14.872   0.941   0.941
  157   2HG2  THR  19          HG23      THR  19  14.405   0.012   0.012
  158   3HG2  THR  19          HG21      THR  19  15.438  -0.717  -0.717
  159    H    ASP  20           HN       ASP  20  14.407  -0.399  -0.399
  160    HA   ASP  20           HA       ASP  20  14.288  -2.065  -2.065
  161   1HB   ASP  20           HB1      ASP  20  14.477  -3.431  -3.431
  162   2HB   ASP  20           HB2      ASP  20  13.728  -4.418  -4.418
  163    H    SER  21           HN       SER  21  11.985  -0.706  -0.706
  164    HA   SER  21           HA       SER  21   9.768  -2.622  -2.622
  165   1HB   SER  21           HB1      SER  21   9.468  -0.329  -0.329
  166   2HB   SER  21           HB2      SER  21   9.717   0.312   0.312
  167    HG   SER  21           HG       SER  21   7.647  -1.429  -1.429
  168    H    ASN  22           HN       ASN  22  11.968  -1.922  -1.922
  169    HA   ASN  22           HA       ASN  22  10.054  -2.032  -2.032
  170   1HB   ASN  22           HB1      ASN  22  11.921  -0.473  -0.473
  171   2HB   ASN  22           HB2      ASN  22  13.075  -1.773  -1.773
  172   1HD2  ASN  22          HD22      ASN  22  13.042  -2.877  -2.877
  173   2HD2  ASN  22          HD21      ASN  22  13.728  -3.012  -3.012
  174    H    ALA  23           HN       ALA  23  10.704  -4.290  -4.290
  175    HA   ALA  23           HA       ALA  23  11.460  -6.304  -6.304
  176   1HB   ALA  23           HB3      ALA  23  12.908  -5.816  -5.816
  177   2HB   ALA  23           HB1      ALA  23  11.758  -6.981  -6.981
  178   3HB   ALA  23           HB2      ALA  23  12.778  -7.424  -7.424
  179    H    GLU  24           HN       GLU  24   9.503  -5.659  -5.659
  180    HA   GLU  24           HA       GLU  24   7.941  -8.080  -8.080
  181   1HB   GLU  24           HB1      GLU  24   7.060  -5.620  -5.620
  182   2HB   GLU  24           HB2      GLU  24   6.730  -7.312  -7.312
  183   1HG   GLU  24           HG1      GLU  24   9.259  -7.572  -7.572
  184   2HG   GLU  24           HG2      GLU  24   9.341  -5.810  -5.810
  185    H    LEU  25           HN       LEU  25   8.065  -5.368  -5.368
  186    HA   LEU  25           HA       LEU  25   5.523  -4.398  -4.398
  187   1HB   LEU  25           HB1      LEU  25   7.733  -5.111  -5.111
  188   2HB   LEU  25           HB2      LEU  25   6.198  -4.496  -4.496
  189    HG   LEU  25           HG       LEU  25   7.515  -3.050  -3.050
  190   1HD1  LEU  25          HD12      LEU  25   9.261  -3.516  -3.516
  191   2HD1  LEU  25          HD13      LEU  25   8.263  -2.559  -2.559
  192   3HD1  LEU  25          HD11      LEU  25   8.961  -1.812  -1.812
  193   1HD2  LEU  25          HD22      LEU  25   5.207  -2.587  -2.587
  194   2HD2  LEU  25          HD23      LEU  25   6.274  -1.226  -1.226
  195   3HD2  LEU  25          HD21      LEU  25   6.183  -1.882  -1.882
  196    H    ARG  26           HN       ARG  26   6.679  -7.637  -7.637
  197    HA   ARG  26           HA       ARG  26   4.459  -8.384  -8.384
  198   1HB   ARG  26           HB1      ARG  26   6.058 -10.268 -10.268
  199   2HB   ARG  26           HB2      ARG  26   5.245 -10.633 -10.633
  200   1HG   ARG  26           HG1      ARG  26   7.620  -8.771  -8.771
  201   2HG   ARG  26           HG2      ARG  26   7.680 -10.402 -10.402
  202   1HD   ARG  26           HD1      ARG  26   6.840  -9.743  -9.743
  203   2HD   ARG  26           HD2      ARG  26   5.677  -8.644  -8.644
  204    HE   ARG  26           HE       ARG  26   8.325  -7.577  -7.577
  205   1HH1  ARG  26          HH11      ARG  26   5.899  -8.272  -8.272
  206   2HH1  ARG  26          HH12      ARG  26   6.319  -6.935  -6.935
  207   1HH2  ARG  26          HH21      ARG  26   8.858  -5.807  -5.807
  208   2HH2  ARG  26          HH22      ARG  26   7.994  -5.543  -5.543
  209    H    ALA  27           HN       ALA  27   5.146  -9.317  -9.317
  210    HA   ALA  27           HA       ALA  27   2.501 -10.300 -10.300
  211   1HB   ALA  27           HB2      ALA  27   4.810 -10.514 -10.514
  212   2HB   ALA  27           HB3      ALA  27   4.065  -9.211  -9.211
  213   3HB   ALA  27           HB1      ALA  27   3.241 -10.762 -10.762
  214    H    MET  28           HN       MET  28   3.611  -7.144  -7.144
  215    HA   MET  28           HA       MET  28   1.862  -5.821  -5.821
  216   1HB   MET  28           HB1      MET  28   3.900  -4.724  -4.724
  217   2HB   MET  28           HB2      MET  28   3.223  -4.746  -4.746
  218   1HG   MET  28           HG1      MET  28   1.798  -3.015  -3.015
  219   2HG   MET  28           HG2      MET  28   1.481  -3.560  -3.560
  220   1HE   MET  28           HE1      MET  28   4.367  -2.747  -2.747
  221   2HE   MET  28           HE2      MET  28   3.686  -1.123  -1.123
  222   3HE   MET  28           HE3      MET  28   5.242  -1.407  -1.407
  223    H    GLU  29           HN       GLU  29   1.716  -6.471  -6.471
  224    HA   GLU  29           HA       GLU  29  -0.702  -5.138  -5.138
  225   1HB   GLU  29           HB1      GLU  29  -0.879  -6.511  -6.511
  226   2HB   GLU  29           HB2      GLU  29   0.852  -6.359  -6.359
  227   1HG   GLU  29           HG1      GLU  29   0.562  -8.543  -8.543
  228   2HG   GLU  29           HG2      GLU  29  -0.956  -8.717  -8.717
  229    H    ALA  30           HN       ALA  30  -0.155  -8.311  -8.311
  230    HA   ALA  30           HA       ALA  30  -2.854  -9.210  -9.210
  231   1HB   ALA  30           HB3      ALA  30  -0.576  -9.765  -9.765
  232   2HB   ALA  30           HB1      ALA  30  -2.109 -10.638 -10.638
  233   3HB   ALA  30           HB2      ALA  30  -1.049 -10.740 -10.740
  234    H    LYS  31           HN       LYS  31  -1.002  -7.560  -7.560
  235    HA   LYS  31           HA       LYS  31  -3.187  -7.252  -7.252
  236   1HB   LYS  31           HB1      LYS  31  -0.505  -6.021  -6.021
  237   2HB   LYS  31           HB2      LYS  31  -1.674  -5.090  -5.090
  238   1HG   LYS  31           HG1      LYS  31  -1.933  -6.821  -6.821
  239   2HG   LYS  31           HG2      LYS  31  -1.219  -8.029  -8.029
  240   1HD   LYS  31           HD1      LYS  31   0.930  -7.390  -7.390
  241   2HD   LYS  31           HD2      LYS  31   0.489  -5.695  -5.695
  242   1HE   LYS  31           HE1      LYS  31  -0.747  -7.452  -7.452
  243   2HE   LYS  31           HE2      LYS  31   1.016  -7.481  -7.481
  244   1HZ   LYS  31           HZ1      LYS  31   0.631  -4.889  -4.889
  245   2HZ   LYS  31           HZ2      LYS  31  -0.828  -5.286  -5.286
  246   3HZ   LYS  31           HZ3      LYS  31   0.657  -5.660  -5.660
  247    H    LEU  32           HN       LEU  32  -2.400  -5.611  -5.611
  248    HA   LEU  32           HA       LEU  32  -3.722  -3.128  -3.128
  249   1HB   LEU  32           HB1      LEU  32  -2.507  -4.481  -4.481
  250   2HB   LEU  32           HB2      LEU  32  -4.100  -3.926  -3.926
  251    HG   LEU  32           HG       LEU  32  -3.395  -1.690  -1.690
  252   1HD1  LEU  32          HD12      LEU  32  -0.834  -3.230  -3.230
  253   2HD1  LEU  32          HD13      LEU  32  -0.808  -1.484  -1.484
  254   3HD1  LEU  32          HD11      LEU  32  -1.360  -2.153  -2.153
  255   1HD2  LEU  32          HD23      LEU  32  -2.634  -2.782  -2.782
  256   2HD2  LEU  32          HD21      LEU  32  -3.721  -1.452  -1.452
  257   3HD2  LEU  32          HD22      LEU  32  -1.975  -1.213  -1.213
  258    H    LYS  33           HN       LYS  33  -4.952  -6.043  -6.043
  259    HA   LYS  33           HA       LYS  33  -7.638  -5.112  -5.112
  260   1HB   LYS  33           HB1      LYS  33  -6.598  -7.958  -7.958
  261   2HB   LYS  33           HB2      LYS  33  -8.213  -7.486  -7.486
  262   1HG   LYS  33           HG1      LYS  33  -7.283  -6.223  -6.223
  263   2HG   LYS  33           HG2      LYS  33  -5.642  -6.510  -6.510
  264   1HD   LYS  33           HD1      LYS  33  -5.718  -8.797  -8.797
  265   2HD   LYS  33           HD2      LYS  33  -7.481  -8.818  -8.818
  266   1HE   LYS  33           HE1      LYS  33  -6.434  -6.882  -6.882
  267   2HE   LYS  33           HE2      LYS  33  -5.715  -8.466  -8.466
  268   1HZ   LYS  33           HZ1      LYS  33  -8.190  -9.221  -9.221
  269   2HZ   LYS  33           HZ2      LYS  33  -8.513  -7.630  -7.630
  270   3HZ   LYS  33           HZ3      LYS  33  -7.631  -8.680  -8.680
  271    H    ALA  34           HN       ALA  34  -5.871  -6.674  -6.674
  272    HA   ALA  34           HA       ALA  34  -8.115  -7.545  -7.545
  273   1HB   ALA  34           HB2      ALA  34  -5.462  -7.865  -7.865
  274   2HB   ALA  34           HB3      ALA  34  -5.689  -6.534  -6.534
  275   3HB   ALA  34           HB1      ALA  34  -6.572  -8.045  -8.045
  276    H    GLU  35           HN       GLU  35  -6.251  -4.496  -4.496
  277    HA   GLU  35           HA       GLU  35  -7.782  -3.278  -3.278
  278   1HB   GLU  35           HB1      GLU  35  -5.792  -2.423  -2.423
  279   2HB   GLU  35           HB2      GLU  35  -6.943  -1.162  -1.162
  280   1HG   GLU  35           HG1      GLU  35  -6.002  -0.922  -0.922
  281   2HG   GLU  35           HG2      GLU  35  -6.028  -2.663  -2.663
  282    H    ILE  36           HN       ILE  36  -7.938  -2.644  -2.644
  283    HA   ILE  36           HA       ILE  36 -10.295  -1.092  -1.092
  284    HB   ILE  36           HB       ILE  36 -10.587  -1.997  -1.997
  285   1HG1  ILE  36          HG11      ILE  36  -7.925  -2.949  -2.949
  286   2HG1  ILE  36          HG12      ILE  36  -8.680  -3.855  -3.855
  287   1HG2  ILE  36          HG22      ILE  36  -9.281   0.081   0.081
  288   2HG2  ILE  36          HG23      ILE  36  -7.834  -0.906  -0.906
  289   3HG2  ILE  36          HG21      ILE  36  -8.873  -0.566  -0.566
  290   1HD1  ILE  36          HD11      ILE  36 -10.640  -3.634  -3.634
  291   2HD1  ILE  36          HD12      ILE  36  -9.139  -4.062  -4.062
  292   3HD1  ILE  36          HD13      ILE  36  -9.757  -5.086  -5.086
  293    H    GLN  37           HN       GLN  37  -9.865  -4.518  -4.518
  294    HA   GLN  37           HA       GLN  37 -12.253  -5.650  -5.650
  295   1HB   GLN  37           HB1      GLN  37 -10.457  -6.895  -6.895
  296   2HB   GLN  37           HB2      GLN  37 -10.919  -6.114  -6.114
  297   1HG   GLN  37           HG1      GLN  37 -12.461  -7.723  -7.723
  298   2HG   GLN  37           HG2      GLN  37 -13.293  -7.181  -7.181
  299   1HE2  GLN  37          HE22      GLN  37 -12.359 -10.755 -10.755
  300   2HE2  GLN  37          HE21      GLN  37 -13.365  -9.913  -9.913
  301    H    LYS  38           HN       LYS  38 -11.736  -3.666  -3.666
  302    HA   LYS  38           HA       LYS  38 -14.160  -3.937  -3.937
  303   1HB   LYS  38           HB1      LYS  38 -12.250  -2.377  -2.377
  304   2HB   LYS  38           HB2      LYS  38 -12.905  -1.239  -1.239
  305   1HG   LYS  38           HG1      LYS  38 -14.500  -0.571  -0.571
  306   2HG   LYS  38           HG2      LYS  38 -15.005  -2.236  -2.236
  307   1HD   LYS  38           HD1      LYS  38 -12.591  -2.097  -2.097
  308   2HD   LYS  38           HD2      LYS  38 -13.278  -0.498  -0.498
  309   1HE   LYS  38           HE1      LYS  38 -15.413  -1.622  -1.622
  310   2HE   LYS  38           HE2      LYS  38 -14.583  -3.173  -3.173
  311   1HZ   LYS  38           HZ1      LYS  38 -12.936  -2.344  -2.344
  312   2HZ   LYS  38           HZ2      LYS  38 -13.829  -0.909  -0.909
  313   3HZ   LYS  38           HZ3      LYS  38 -14.499  -2.392  -2.392
  314   1HN   NH2  39          1HN       NH2  39 -14.391  -2.197  -2.197
  315   2HN   NH2  39          2HN       NH2  39 -14.451  -0.901  -0.901

  Start of MODEL   12
    1   1H2   SIN   0          1H2       SIN   0 -17.142   0.288   0.288
    2   2H2   SIN   0          2H2       SIN   0 -16.225  -0.807  -0.807
    3   1H3   SIN   0          1H3       SIN   0 -14.547  -1.080  -1.080
    4   2H3   SIN   0          2H3       SIN   0 -15.450   0.058   0.058
    5    H    ASP   1           HN       ASP   1 -15.566   1.109   1.109
    6    HA   ASP   1           HA       ASP   1 -12.908   0.088   0.088
    7   1HB   ASP   1           HB1      ASP   1 -14.989   0.213   0.213
    8   2HB   ASP   1           HB2      ASP   1 -14.081   1.611   1.611
    9    H    TRP   2           HN       TRP   2 -14.159   3.311   3.311
   10    HA   TRP   2           HA       TRP   2 -12.094   4.793   4.793
   11   1HB   TRP   2           HB1      TRP   2 -12.839   6.661   6.661
   12   2HB   TRP   2           HB2      TRP   2 -14.269   5.704   5.704
   13    HD1  TRP   2           HD1      TRP   2 -15.080   3.952   3.952
   14    HE1  TRP   2           HE1      TRP   2 -15.004   4.152   4.152
   15    HE3  TRP   2           HE3      TRP   2 -11.591   7.628   7.628
   16    HZ2  TRP   2           HZ2      TRP   2 -13.613   5.683   5.683
   17    HZ3  TRP   2           HZ3      TRP   2 -10.900   8.443   8.443
   18    HH2  TRP   2           HH2      TRP   2 -11.909   7.474   7.474
   19    H    LEU   3           HN       LEU   3 -12.331   3.390   3.390
   20    HA   LEU   3           HA       LEU   3 -10.065   4.604   4.604
   21   1HB   LEU   3           HB1      LEU   3 -11.814   2.389   2.389
   22   2HB   LEU   3           HB2      LEU   3 -10.143   1.958   1.958
   23    HG   LEU   3           HG       LEU   3 -10.728   4.680   4.680
   24   1HD1  LEU   3          HD12      LEU   3 -13.034   3.684   3.684
   25   2HD1  LEU   3          HD13      LEU   3 -12.368   2.505   2.505
   26   3HD1  LEU   3          HD11      LEU   3 -12.353   4.221   4.221
   27   1HD2  LEU   3          HD22      LEU   3  -9.270   2.358   2.358
   28   2HD2  LEU   3          HD23      LEU   3  -9.114   4.016   4.016
   29   3HD2  LEU   3          HD21      LEU   3 -10.258   2.917   2.917
   30    H    LYS   4           HN       LYS   4 -10.233   2.166   2.166
   31    HA   LYS   4           HA       LYS   4  -7.602   1.053   1.053
   32   1HB   LYS   4           HB1      LYS   4  -8.982   1.246   1.246
   33   2HB   LYS   4           HB2      LYS   4  -7.882  -0.008  -0.008
   34   1HG   LYS   4           HG1      LYS   4  -9.986   0.037   0.037
   35   2HG   LYS   4           HG2      LYS   4 -10.765   0.174   0.174
   36   1HD   LYS   4           HD1      LYS   4 -10.447  -2.035  -2.035
   37   2HD   LYS   4           HD2      LYS   4  -8.706  -1.757  -1.757
   38   1HE   LYS   4           HE1      LYS   4  -9.928  -1.727  -1.727
   39   2HE   LYS   4           HE2      LYS   4 -10.103  -3.273  -3.273
   40   1HZ   LYS   4           HZ1      LYS   4  -7.492  -1.973  -1.973
   41   2HZ   LYS   4           HZ2      LYS   4  -7.950  -2.656  -2.656
   42   3HZ   LYS   4           HZ3      LYS   4  -7.879  -3.622  -3.622
   43    H    ALA   5           HN       ALA   5  -8.864   3.807   3.807
   44    HA   ALA   5           HA       ALA   5  -6.247   4.422   4.422
   45   1HB   ALA   5           HB3      ALA   5  -8.987   5.659   5.659
   46   2HB   ALA   5           HB1      ALA   5  -7.585   6.578   6.578
   47   3HB   ALA   5           HB2      ALA   5  -7.997   5.050   5.050
   48    H    ARG   6           HN       ARG   6  -8.174   5.403   5.403
   49    HA   ARG   6           HA       ARG   6  -6.394   7.669   7.669
   50   1HB   ARG   6           HB1      ARG   6  -7.947   8.368   8.368
   51   2HB   ARG   6           HB2      ARG   6  -8.972   7.573   7.573
   52   1HG   ARG   6           HG1      ARG   6  -9.771   6.380   6.380
   53   2HG   ARG   6           HG2      ARG   6  -8.259   5.476   5.476
   54   1HD   ARG   6           HD1      ARG   6  -7.780   7.921   7.921
   55   2HD   ARG   6           HD2      ARG   6  -9.180   7.118   7.118
   56    HE   ARG   6           HE       ARG   6  -7.299   5.091   5.091
   57   1HH1  ARG   6          HH21      ARG   6  -5.666   7.761   7.761
   58   2HH1  ARG   6          HH22      ARG   6  -5.329   7.566   7.566
   59   1HH2  ARG   6          HH11      ARG   6  -7.635   5.016   5.016
   60   2HH2  ARG   6          HH12      ARG   6  -6.444   6.015   6.015
   61    H    VAL   7           HN       VAL   7  -6.428   4.352   4.352
   62    HA   VAL   7           HA       VAL   7  -5.059   4.634   4.634
   63    HB   VAL   7           HB       VAL   7  -6.723   2.778   2.778
   64   1HG1  VAL   7          HG11      VAL   7  -4.375   1.821   1.821
   65   2HG1  VAL   7          HG12      VAL   7  -5.764   0.826   0.826
   66   3HG1  VAL   7          HG13      VAL   7  -5.981   2.239   2.239
   67   1HG2  VAL   7          HG21      VAL   7  -4.530   2.833   2.833
   68   2HG2  VAL   7          HG22      VAL   7  -5.698   1.511   1.511
   69   3HG2  VAL   7          HG23      VAL   7  -4.200   1.387   1.387
   70    H    GLU   8           HN       GLU   8  -4.317   3.848   3.848
   71    HA   GLU   8           HA       GLU   8  -1.627   2.942   2.942
   72   1HB   GLU   8           HB1      GLU   8  -3.327   3.437   3.437
   73   2HB   GLU   8           HB2      GLU   8  -1.722   4.113   4.113
   74   1HG   GLU   8           HG1      GLU   8  -1.122   1.997   1.997
   75   2HG   GLU   8           HG2      GLU   8  -1.157   1.674   1.674
   76    H    GLN   9           HN       GLN   9  -3.031   6.125   6.125
   77    HA   GLN   9           HA       GLN   9  -0.628   7.561   7.561
   78   1HB   GLN   9           HB1      GLN   9  -3.338   8.196   8.196
   79   2HB   GLN   9           HB2      GLN   9  -2.588   9.073   9.073
   80   1HG   GLN   9           HG1      GLN   9  -0.858   9.899   9.899
   81   2HG   GLN   9           HG2      GLN   9  -1.868   9.212   9.212
   82   1HE2  GLN   9          HE22      GLN   9  -3.516  12.350  12.350
   83   2HE2  GLN   9          HE21      GLN   9  -2.548  11.241  11.241
   84    H    GLU  10           HN       GLU  10  -2.395   6.904   6.904
   85    HA   GLU  10           HA       GLU  10  -0.523   8.284   8.284
   86   1HB   GLU  10           HB1      GLU  10  -2.800   6.443   6.443
   87   2HB   GLU  10           HB2      GLU  10  -1.584   6.383   6.383
   88   1HG   GLU  10           HG1      GLU  10  -2.265   9.113   9.113
   89   2HG   GLU  10           HG2      GLU  10  -3.617   8.236   8.236
   90    H    LEU  11           HN       LEU  11  -0.833   4.843   4.843
   91    HA   LEU  11           HA       LEU  11   1.429   3.985   3.985
   92   1HB   LEU  11           HB1      LEU  11   0.039   2.768   2.768
   93   2HB   LEU  11           HB2      LEU  11   1.331   1.960   1.960
   94    HG   LEU  11           HG       LEU  11  -0.924   3.056   3.056
   95   1HD1  LEU  11          HD11      LEU  11  -1.216   0.994   0.994
   96   2HD1  LEU  11          HD12      LEU  11  -1.915   0.595   0.595
   97   3HD1  LEU  11          HD13      LEU  11  -2.432   2.050   2.050
   98   1HD2  LEU  11          HD23      LEU  11   1.269   1.268   1.268
   99   2HD2  LEU  11          HD21      LEU  11   0.070   1.720   1.720
  100   3HD2  LEU  11          HD22      LEU  11  -0.204   0.315   0.315
  101    H    GLN  12           HN       GLN  12   1.229   5.856   5.856
  102    HA   GLN  12           HA       GLN  12   3.611   4.895   4.895
  103   1HB   GLN  12           HB1      GLN  12   1.599   6.445   6.445
  104   2HB   GLN  12           HB2      GLN  12   2.699   7.724   7.724
  105   1HG   GLN  12           HG1      GLN  12   4.275   7.197   7.197
  106   2HG   GLN  12           HG2      GLN  12   3.807   5.497   5.497
  107   1HE2  GLN  12          HE22      GLN  12   2.217   6.363   6.363
  108   2HE2  GLN  12          HE21      GLN  12   3.525   5.550   5.550
  109    H    ALA  13           HN       ALA  13   2.971   7.835   7.835
  110    HA   ALA  13           HA       ALA  13   5.676   8.706   8.706
  111   1HB   ALA  13           HB2      ALA  13   3.154   9.341   9.341
  112   2HB   ALA  13           HB3      ALA  13   4.556   9.550   9.550
  113   3HB   ALA  13           HB1      ALA  13   4.467  10.414  10.414
  114    H    LEU  14           HN       LEU  14   4.069   6.120   6.120
  115    HA   LEU  14           HA       LEU  14   5.898   5.994   5.994
  116   1HB   LEU  14           HB1      LEU  14   3.544   4.569   4.569
  117   2HB   LEU  14           HB2      LEU  14   4.791   3.442   3.442
  118    HG   LEU  14           HG       LEU  14   5.012   4.785   4.785
  119   1HD1  LEU  14          HD12      LEU  14   3.444   6.622   6.622
  120   2HD1  LEU  14          HD13      LEU  14   2.436   6.068   6.068
  121   3HD1  LEU  14          HD11      LEU  14   4.011   6.793   6.793
  122   1HD2  LEU  14          HD22      LEU  14   2.877   3.041   3.041
  123   2HD2  LEU  14          HD23      LEU  14   3.611   3.201   3.201
  124   3HD2  LEU  14          HD21      LEU  14   2.244   4.222   4.222
  125    H    GLU  15           HN       GLU  15   5.593   4.225   4.225
  126    HA   GLU  15           HA       GLU  15   8.021   2.682   2.682
  127   1HB   GLU  15           HB1      GLU  15   6.252   2.984   2.984
  128   2HB   GLU  15           HB2      GLU  15   7.699   1.974   1.974
  129   1HG   GLU  15           HG1      GLU  15   5.342   1.700   1.700
  130   2HG   GLU  15           HG2      GLU  15   5.664   0.654   0.654
  131    H    ALA  16           HN       ALA  16   7.308   5.789   5.789
  132    HA   ALA  16           HA       ALA  16   9.618   5.995   5.995
  133   1HB   ALA  16           HB2      ALA  16   7.360   7.435   7.435
  134   2HB   ALA  16           HB3      ALA  16   8.388   8.436   8.436
  135   3HB   ALA  16           HB1      ALA  16   8.854   8.115   8.115
  136    H    ARG  17           HN       ARG  17   8.846   7.163   7.163
  137    HA   ARG  17           HA       ARG  17  11.723   7.850   7.850
  138   1HB   ARG  17           HB1      ARG  17   9.791   9.465   9.465
  139   2HB   ARG  17           HB2      ARG  17   9.517   8.405   8.405
  140   1HG   ARG  17           HG1      ARG  17  12.117   8.692   8.692
  141   2HG   ARG  17           HG2      ARG  17  11.883  10.148  10.148
  142   1HD   ARG  17           HD1      ARG  17   9.774  10.158  10.158
  143   2HD   ARG  17           HD2      ARG  17  11.191   9.660   9.660
  144    HE   ARG  17           HE       ARG  17  11.476  12.046  12.046
  145   1HH1  ARG  17          HH21      ARG  17   9.846  11.682  11.682
  146   2HH1  ARG  17          HH22      ARG  17  10.917  12.608  12.608
  147   1HH2  ARG  17          HH11      ARG  17  13.417  12.794  12.794
  148   2HH2  ARG  17          HH12      ARG  17  12.938  13.239  13.239
  149    H    GLY  18           HN       GLY  18  11.387   5.157   5.157
  150   1HA   GLY  18           HA1      GLY  18  11.263   4.273   4.273
  151   2HA   GLY  18           HA2      GLY  18  11.011   3.211   3.211
  152    H    THR  19           HN       THR  19  12.799   2.195   2.195
  153    HA   THR  19           HA       THR  19  15.456   2.971   2.971
  154    HB   THR  19           HB       THR  19  15.325   3.485   3.485
  155    HG1  THR  19           HG1      THR  19  17.190   2.327   2.327
  156   1HG2  THR  19          HG21      THR  19  13.948   0.934   0.934
  157   2HG2  THR  19          HG22      THR  19  15.266   0.949   0.949
  158   3HG2  THR  19          HG23      THR  19  14.005   2.180   2.180
  159    H    ASP  20           HN       ASP  20  13.266   0.892   0.892
  160    HA   ASP  20           HA       ASP  20  15.123  -1.232  -1.232
  161   1HB   ASP  20           HB1      ASP  20  14.388  -1.608  -1.608
  162   2HB   ASP  20           HB2      ASP  20  12.855  -2.112  -2.112
  163    H    SER  21           HN       SER  21  13.648   0.294   0.294
  164    HA   SER  21           HA       SER  21  11.023  -0.729  -0.729
  165   1HB   SER  21           HB1      SER  21  13.002   0.740   0.740
  166   2HB   SER  21           HB2      SER  21  11.315   0.450   0.450
  167    HG   SER  21           HG       SER  21  12.213   2.462   2.462
  168    H    ASN  22           HN       ASN  22  10.953  -1.406  -1.406
  169    HA   ASN  22           HA       ASN  22  11.171  -3.283  -3.283
  170   1HB   ASN  22           HB1      ASN  22  13.642  -2.157  -2.157
  171   2HB   ASN  22           HB2      ASN  22  13.970  -3.786  -3.786
  172   1HD2  ASN  22          HD22      ASN  22  13.697  -5.261  -5.261
  173   2HD2  ASN  22          HD21      ASN  22  14.015  -5.486  -5.486
  174    H    ALA  23           HN       ALA  23  10.709  -3.557  -3.557
  175    HA   ALA  23           HA       ALA  23  11.126  -6.492  -6.492
  176   1HB   ALA  23           HB3      ALA  23  12.535  -4.648  -4.648
  177   2HB   ALA  23           HB1      ALA  23  11.290  -5.293  -5.293
  178   3HB   ALA  23           HB2      ALA  23  12.422  -6.387  -6.387
  179    H    GLU  24           HN       GLU  24   9.447  -3.694  -3.694
  180    HA   GLU  24           HA       GLU  24   7.334  -5.407  -5.407
  181   1HB   GLU  24           HB1      GLU  24   7.820  -2.429  -2.429
  182   2HB   GLU  24           HB2      GLU  24   6.317  -3.128  -3.128
  183   1HG   GLU  24           HG1      GLU  24   9.045  -4.017  -4.017
  184   2HG   GLU  24           HG2      GLU  24   8.132  -2.727  -2.727
  185    H    LEU  25           HN       LEU  25   7.844  -5.095  -5.095
  186    HA   LEU  25           HA       LEU  25   5.498  -3.665  -3.665
  187   1HB   LEU  25           HB1      LEU  25   7.460  -5.541  -5.541
  188   2HB   LEU  25           HB2      LEU  25   6.165  -4.691  -4.691
  189    HG   LEU  25           HG       LEU  25   8.094  -3.156  -3.156
  190   1HD1  LEU  25          HD12      LEU  25   9.470  -4.540  -4.540
  191   2HD1  LEU  25          HD13      LEU  25   8.536  -3.938  -3.938
  192   3HD1  LEU  25          HD11      LEU  25   9.542  -2.832  -2.832
  193   1HD2  LEU  25          HD23      LEU  25   6.030  -2.097  -2.097
  194   2HD2  LEU  25          HD21      LEU  25   7.507  -1.354  -1.354
  195   3HD2  LEU  25          HD22      LEU  25   6.602  -2.481  -2.481
  196    H    ARG  26           HN       ARG  26   6.444  -7.105  -7.105
  197    HA   ARG  26           HA       ARG  26   3.811  -8.008  -8.008
  198   1HB   ARG  26           HB1      ARG  26   6.034  -9.582  -9.582
  199   2HB   ARG  26           HB2      ARG  26   4.663 -10.250 -10.250
  200   1HG   ARG  26           HG1      ARG  26   6.555  -8.294  -8.294
  201   2HG   ARG  26           HG2      ARG  26   6.926 -10.018 -10.018
  202   1HD   ARG  26           HD1      ARG  26   5.628 -10.251 -10.251
  203   2HD   ARG  26           HD2      ARG  26   4.241  -9.880  -9.880
  204    HE   ARG  26           HE       ARG  26   4.286  -7.620  -7.620
  205   1HH1  ARG  26          HH11      ARG  26   7.166  -7.063  -7.063
  206   2HH1  ARG  26          HH12      ARG  26   7.481  -7.084  -7.084
  207   1HH2  ARG  26          HH21      ARG  26   4.539  -8.740  -8.740
  208   2HH2  ARG  26          HH22      ARG  26   5.993  -8.035  -8.035
  209    H    ALA  27           HN       ALA  27   5.520  -7.665  -7.665
  210    HA   ALA  27           HA       ALA  27   3.588  -8.981  -8.981
  211   1HB   ALA  27           HB3      ALA  27   5.989  -8.039  -8.039
  212   2HB   ALA  27           HB1      ALA  27   5.090  -6.589  -6.589
  213   3HB   ALA  27           HB2      ALA  27   4.758  -8.121  -8.121
  214    H    MET  28           HN       MET  28   3.742  -5.714  -5.714
  215    HA   MET  28           HA       MET  28   1.669  -4.581  -4.581
  216   1HB   MET  28           HB1      MET  28   3.385  -3.535  -3.535
  217   2HB   MET  28           HB2      MET  28   1.954  -3.658  -3.658
  218   1HG   MET  28           HG1      MET  28   1.609  -2.535  -2.535
  219   2HG   MET  28           HG2      MET  28   2.392  -1.517  -1.517
  220   1HE   MET  28           HE3      MET  28   1.561  -0.880  -0.880
  221   2HE   MET  28           HE1      MET  28   0.995  -2.438  -2.438
  222   3HE   MET  28           HE2      MET  28  -0.075  -1.038  -1.038
  223    H    GLU  29           HN       GLU  29   1.617  -6.708  -6.708
  224    HA   GLU  29           HA       GLU  29  -1.039  -6.173  -6.173
  225   1HB   GLU  29           HB1      GLU  29   1.004  -8.233  -8.233
  226   2HB   GLU  29           HB2      GLU  29  -0.636  -8.882  -8.882
  227   1HG   GLU  29           HG1      GLU  29  -1.059  -7.890  -7.890
  228   2HG   GLU  29           HG2      GLU  29  -0.401  -6.348  -6.348
  229    H    ALA  30           HN       ALA  30   0.169  -8.655  -8.655
  230    HA   ALA  30           HA       ALA  30  -2.418  -9.684  -9.684
  231   1HB   ALA  30           HB3      ALA  30   0.324  -9.958  -9.958
  232   2HB   ALA  30           HB1      ALA  30  -0.904 -10.132 -10.132
  233   3HB   ALA  30           HB2      ALA  30  -0.939 -11.178 -11.178
  234    H    LYS  31           HN       LYS  31  -0.315  -7.541  -7.541
  235    HA   LYS  31           HA       LYS  31  -2.232  -6.926  -6.926
  236   1HB   LYS  31           HB1      LYS  31   0.370  -6.042  -6.042
  237   2HB   LYS  31           HB2      LYS  31  -0.634  -4.598  -4.598
  238   1HG   LYS  31           HG1      LYS  31  -1.452  -5.484  -5.484
  239   2HG   LYS  31           HG2      LYS  31  -0.269  -6.785  -6.785
  240   1HD   LYS  31           HD1      LYS  31   1.561  -5.272  -5.272
  241   2HD   LYS  31           HD2      LYS  31   0.527  -3.876  -3.876
  242   1HE   LYS  31           HE1      LYS  31   0.194  -5.625  -5.625
  243   2HE   LYS  31           HE2      LYS  31   1.265  -4.224  -4.224
  244   1HZ   LYS  31           HZ1      LYS  31  -1.632  -4.175  -4.175
  245   2HZ   LYS  31           HZ2      LYS  31  -0.947  -3.671  -3.671
  246   3HZ   LYS  31           HZ3      LYS  31  -0.596  -2.832  -2.832
  247    H    LEU  32           HN       LEU  32  -2.062  -5.894  -5.894
  248    HA   LEU  32           HA       LEU  32  -3.502  -3.433  -3.433
  249   1HB   LEU  32           HB1      LEU  32  -2.349  -3.877  -3.877
  250   2HB   LEU  32           HB2      LEU  32  -3.182  -5.416  -5.416
  251    HG   LEU  32           HG       LEU  32  -5.314  -4.248  -4.248
  252   1HD1  LEU  32          HD12      LEU  32  -3.618  -1.800  -1.800
  253   2HD1  LEU  32          HD13      LEU  32  -5.203  -1.709  -1.709
  254   3HD1  LEU  32          HD11      LEU  32  -5.054  -2.335  -2.335
  255   1HD2  LEU  32          HD22      LEU  32  -2.976  -3.892  -3.892
  256   2HD2  LEU  32          HD23      LEU  32  -4.635  -4.290  -4.290
  257   3HD2  LEU  32          HD21      LEU  32  -4.158  -2.605  -2.605
  258    H    LYS  33           HN       LYS  33  -4.616  -6.748  -6.748
  259    HA   LYS  33           HA       LYS  33  -7.402  -5.972  -5.972
  260   1HB   LYS  33           HB1      LYS  33  -5.953  -8.194  -8.194
  261   2HB   LYS  33           HB2      LYS  33  -6.897  -8.799  -8.799
  262   1HG   LYS  33           HG1      LYS  33  -8.775  -7.306  -7.306
  263   2HG   LYS  33           HG2      LYS  33  -7.798  -7.848  -7.848
  264   1HD   LYS  33           HD1      LYS  33  -9.143  -9.577  -9.577
  265   2HD   LYS  33           HD2      LYS  33  -9.515  -9.507  -9.507
  266   1HE   LYS  33           HE1      LYS  33  -6.860 -10.404 -10.404
  267   2HE   LYS  33           HE2      LYS  33  -8.122 -11.490 -11.490
  268   1HZ   LYS  33           HZ3      LYS  33  -7.887  -9.926  -9.926
  269   2HZ   LYS  33           HZ1      LYS  33  -6.308  -9.772  -9.772
  270   3HZ   LYS  33           HZ2      LYS  33  -6.923 -11.308 -11.308
  271    H    ALA  34           HN       ALA  34  -5.145  -6.921  -6.921
  272    HA   ALA  34           HA       ALA  34  -7.195  -7.739  -7.739
  273   1HB   ALA  34           HB2      ALA  34  -4.482  -8.147  -8.147
  274   2HB   ALA  34           HB3      ALA  34  -4.581  -6.924  -6.924
  275   3HB   ALA  34           HB1      ALA  34  -5.446  -8.450  -8.450
  276    H    GLU  35           HN       GLU  35  -5.523  -4.762  -4.762
  277    HA   GLU  35           HA       GLU  35  -6.507  -3.408  -3.408
  278   1HB   GLU  35           HB1      GLU  35  -4.305  -2.997  -2.997
  279   2HB   GLU  35           HB2      GLU  35  -5.404  -1.775  -1.775
  280   1HG   GLU  35           HG1      GLU  35  -4.641  -0.525  -0.525
  281   2HG   GLU  35           HG2      GLU  35  -5.799  -1.472  -1.472
  282    H    ILE  36           HN       ILE  36  -7.111  -3.346  -3.346
  283    HA   ILE  36           HA       ILE  36  -8.986  -1.240  -1.240
  284    HB   ILE  36           HB       ILE  36  -7.957  -2.606  -2.606
  285   1HG1  ILE  36          HG11      ILE  36 -10.551  -2.344  -2.344
  286   2HG1  ILE  36          HG12      ILE  36 -10.467  -1.166  -1.166
  287   1HG2  ILE  36          HG22      ILE  36  -8.941  -4.777  -4.777
  288   2HG2  ILE  36          HG23      ILE  36 -10.506  -4.196  -4.196
  289   3HG2  ILE  36          HG21      ILE  36  -9.201  -4.482  -4.482
  290   1HD1  ILE  36          HD11      ILE  36  -7.997  -0.970  -0.970
  291   2HD1  ILE  36          HD12      ILE  36  -9.202  -1.093  -1.093
  292   3HD1  ILE  36          HD13      ILE  36  -9.328   0.185   0.185
  293    H    GLN  37           HN       GLN  37  -9.367  -4.590  -4.590
  294    HA   GLN  37           HA       GLN  37 -12.104  -4.986  -4.986
  295   1HB   GLN  37           HB1      GLN  37  -9.927  -6.115  -6.115
  296   2HB   GLN  37           HB2      GLN  37 -11.095  -5.682  -5.682
  297   1HG   GLN  37           HG1      GLN  37 -12.570  -6.799  -6.799
  298   2HG   GLN  37           HG2      GLN  37 -11.192  -7.865  -7.865
  299   1HE2  GLN  37          HE22      GLN  37 -12.283  -8.082  -8.082
  300   2HE2  GLN  37          HE21      GLN  37 -10.921  -7.417  -7.417
  301    H    LYS  38           HN       LYS  38 -10.285  -2.930  -2.930
  302    HA   LYS  38           HA       LYS  38 -12.535  -1.221  -1.221
  303   1HB   LYS  38           HB1      LYS  38 -12.979  -3.444  -3.444
  304   2HB   LYS  38           HB2      LYS  38 -11.823  -2.733  -2.733
  305   1HG   LYS  38           HG1      LYS  38 -13.329  -1.205  -1.205
  306   2HG   LYS  38           HG2      LYS  38 -13.811  -0.797  -0.797
  307   1HD   LYS  38           HD1      LYS  38 -15.331  -2.669  -2.669
  308   2HD   LYS  38           HD2      LYS  38 -14.714  -3.312  -3.312
  309   1HE   LYS  38           HE1      LYS  38 -16.471  -2.192  -2.192
  310   2HE   LYS  38           HE2      LYS  38 -15.440  -0.773  -0.773
  311   1HZ   LYS  38           HZ2      LYS  38 -16.925  -1.539  -1.539
  312   2HZ   LYS  38           HZ3      LYS  38 -17.879  -0.999  -0.999
  313   3HZ   LYS  38           HZ1      LYS  38 -16.662   0.000   0.000
  314   1HN   NH2  39          1HN       NH2  39  -8.801  -0.859  -0.859
  315   2HN   NH2  39          2HN       NH2  39  -9.222  -2.190  -2.190

  Start of MODEL   13
    1   1H2   SIN   0          1H2       SIN   0  16.665   1.384   1.384
    2   2H2   SIN   0          2H2       SIN   0  16.185   1.660   1.660
    3   1H3   SIN   0          1H3       SIN   0  15.016   3.000   3.000
    4   2H3   SIN   0          2H3       SIN   0  16.026   3.762   3.762
    5    H    ASP   1           HN       ASP   1  13.082   4.192   4.192
    6    HA   ASP   1           HA       ASP   1  11.516   3.849   3.849
    7   1HB   ASP   1           HB1      ASP   1  13.770   5.517   5.517
    8   2HB   ASP   1           HB2      ASP   1  12.346   6.557   6.557
    9    H    TRP   2           HN       TRP   2  12.543   6.652   6.652
   10    HA   TRP   2           HA       TRP   2  10.010   7.820   7.820
   11   1HB   TRP   2           HB1      TRP   2  10.801   8.992   8.992
   12   2HB   TRP   2           HB2      TRP   2  12.153   8.834   8.834
   13    HD1  TRP   2           HD1      TRP   2  13.908   6.880   6.880
   14    HE1  TRP   2           HE1      TRP   2  14.686   5.857   5.857
   15    HE3  TRP   2           HE3      TRP   2  10.063   8.356   8.356
   16    HZ2  TRP   2           HZ2      TRP   2  13.762   5.693   5.693
   17    HZ3  TRP   2           HZ3      TRP   2  10.022   7.761   7.761
   18    HH2  TRP   2           HH2      TRP   2  11.867   6.429   6.429
   19    H    LEU   3           HN       LEU   3  11.256   4.969   4.969
   20    HA   LEU   3           HA       LEU   3   9.676   4.737   4.737
   21   1HB   LEU   3           HB1      LEU   3  10.927   2.850   2.850
   22   2HB   LEU   3           HB2      LEU   3   9.552   2.186   2.186
   23    HG   LEU   3           HG       LEU   3  11.686   1.826   1.826
   24   1HD1  LEU   3          HD11      LEU   3   9.283   2.948   2.948
   25   2HD1  LEU   3          HD12      LEU   3  10.603   3.736   3.736
   26   3HD1  LEU   3          HD13      LEU   3  10.463   1.978   1.978
   27   1HD2  LEU   3          HD21      LEU   3  11.839   4.782   4.782
   28   2HD2  LEU   3          HD22      LEU   3  13.124   3.575   3.575
   29   3HD2  LEU   3          HD23      LEU   3  12.496   4.123   4.123
   30    H    LYS   4           HN       LYS   4   8.786   4.101   4.101
   31    HA   LYS   4           HA       LYS   4   6.233   2.998   2.998
   32   1HB   LYS   4           HB1      LYS   4   7.698   3.895   3.895
   33   2HB   LYS   4           HB2      LYS   4   6.331   5.010   5.010
   34   1HG   LYS   4           HG1      LYS   4   5.082   3.397   3.397
   35   2HG   LYS   4           HG2      LYS   4   5.259   2.445   2.445
   36   1HD   LYS   4           HD1      LYS   4   6.465   0.947   0.947
   37   2HD   LYS   4           HD2      LYS   4   7.698   2.185   2.185
   38   1HE   LYS   4           HE1      LYS   4   5.330   2.431   2.431
   39   2HE   LYS   4           HE2      LYS   4   6.304   0.987   0.987
   40   1HZ   LYS   4           HZ2      LYS   4   7.562   3.646   3.646
   41   2HZ   LYS   4           HZ3      LYS   4   6.932   3.119   3.119
   42   3HZ   LYS   4           HZ1      LYS   4   8.175   2.243   2.243
   43    H    ALA   5           HN       ALA   5   7.165   6.440   6.440
   44    HA   ALA   5           HA       ALA   5   4.469   7.397   7.397
   45   1HB   ALA   5           HB1      ALA   5   6.911   8.566   8.566
   46   2HB   ALA   5           HB2      ALA   5   6.592   9.126   9.126
   47   3HB   ALA   5           HB3      ALA   5   5.421   9.437   9.437
   48    H    ARG   6           HN       ARG   6   7.221   6.843   6.843
   49    HA   ARG   6           HA       ARG   6   5.670   7.627   7.627
   50   1HB   ARG   6           HB1      ARG   6   7.598   7.237   7.237
   51   2HB   ARG   6           HB2      ARG   6   8.263   7.641   7.641
   52   1HG   ARG   6           HG1      ARG   6   9.384   5.684   5.684
   53   2HG   ARG   6           HG2      ARG   6   7.830   4.881   4.881
   54   1HD   ARG   6           HD1      ARG   6   7.999   5.658   5.658
   55   2HD   ARG   6           HD2      ARG   6   9.518   4.868   4.868
   56    HE   ARG   6           HE       ARG   6   7.728   3.115   3.115
   57   1HH1  ARG   6          HH21      ARG   6   8.286   4.559   4.559
   58   2HH1  ARG   6          HH22      ARG   6   7.275   3.449   3.449
   59   1HH2  ARG   6          HH11      ARG   6   6.223   1.776   1.776
   60   2HH2  ARG   6          HH12      ARG   6   6.109   1.873   1.873
   61    H    VAL   7           HN       VAL   7   5.470   4.943   4.943
   62    HA   VAL   7           HA       VAL   7   4.984   3.033   3.033
   63    HB   VAL   7           HB       VAL   7   4.906   2.798   2.798
   64   1HG1  VAL   7          HG13      VAL   7   4.217   0.734   0.734
   65   2HG1  VAL   7          HG11      VAL   7   4.478   0.368   0.368
   66   3HG1  VAL   7          HG12      VAL   7   3.125   1.390   1.390
   67   1HG2  VAL   7          HG23      VAL   7   6.948   2.570   2.570
   68   2HG2  VAL   7          HG21      VAL   7   7.035   2.093   2.093
   69   3HG2  VAL   7          HG22      VAL   7   6.553   0.917   0.917
   70    H    GLU   8           HN       GLU   8   3.131   4.355   4.355
   71    HA   GLU   8           HA       GLU   8   0.605   3.361   3.361
   72   1HB   GLU   8           HB1      GLU   8   1.071   5.752   5.752
   73   2HB   GLU   8           HB2      GLU   8  -0.390   4.769   4.769
   74   1HG   GLU   8           HG1      GLU   8   1.313   2.806   2.806
   75   2HG   GLU   8           HG2      GLU   8   2.249   4.130   4.130
   76    H    GLN   9           HN       GLN   9   2.414   6.338   6.338
   77    HA   GLN   9           HA       GLN   9   0.297   7.819   7.819
   78   1HB   GLN   9           HB1      GLN   9   2.986   8.278   8.278
   79   2HB   GLN   9           HB2      GLN   9   2.913   8.415   8.415
   80   1HG   GLN   9           HG1      GLN   9   1.789  10.372  10.372
   81   2HG   GLN   9           HG2      GLN   9   0.639   9.715   9.715
   82   1HE2  GLN   9          HE22      GLN   9   2.187  11.300  11.300
   83   2HE2  GLN   9          HE21      GLN   9   0.851  10.439  10.439
   84    H    GLU  10           HN       GLU  10   2.515   5.370   5.370
   85    HA   GLU  10           HA       GLU  10   1.963   5.852   5.852
   86   1HB   GLU  10           HB1      GLU  10   3.627   4.062   4.062
   87   2HB   GLU  10           HB2      GLU  10   2.841   3.211   3.211
   88   1HG   GLU  10           HG1      GLU  10   3.916   5.850   5.850
   89   2HG   GLU  10           HG2      GLU  10   5.149   4.698   4.698
   90    H    LEU  11           HN       LEU  11   1.098   3.122   3.122
   91    HA   LEU  11           HA       LEU  11  -0.769   1.933   1.933
   92   1HB   LEU  11           HB1      LEU  11  -0.606   1.910   1.910
   93   2HB   LEU  11           HB2      LEU  11  -1.734   0.911   0.911
   94    HG   LEU  11           HG       LEU  11   0.936   0.696   0.696
   95   1HD1  LEU  11          HD11      LEU  11   0.588   0.057   0.057
   96   2HD1  LEU  11          HD12      LEU  11   1.931  -0.512  -0.512
   97   3HD1  LEU  11          HD13      LEU  11   1.721   1.214   1.214
   98   1HD2  LEU  11          HD22      LEU  11  -1.334  -0.848  -0.848
   99   2HD2  LEU  11          HD23      LEU  11   0.230  -1.446  -1.446
  100   3HD2  LEU  11          HD21      LEU  11  -0.227  -1.607  -1.607
  101    H    GLN  12           HN       GLN  12  -1.059   4.710   4.710
  102    HA   GLN  12           HA       GLN  12  -3.962   4.754   4.754
  103   1HB   GLN  12           HB1      GLN  12  -2.724   5.906   5.906
  104   2HB   GLN  12           HB2      GLN  12  -1.904   6.911   6.911
  105   1HG   GLN  12           HG1      GLN  12  -3.828   8.070   8.070
  106   2HG   GLN  12           HG2      GLN  12  -4.009   7.956   7.956
  107   1HE2  GLN  12          HE22      GLN  12  -7.242   6.662   6.662
  108   2HE2  GLN  12          HE21      GLN  12  -6.362   7.977   7.977
  109    H    ALA  13           HN       ALA  13  -1.481   5.960   5.960
  110    HA   ALA  13           HA       ALA  13  -3.122   7.855   7.855
  111   1HB   ALA  13           HB3      ALA  13  -0.460   6.752   6.752
  112   2HB   ALA  13           HB1      ALA  13  -1.224   6.807   6.807
  113   3HB   ALA  13           HB2      ALA  13  -1.080   8.279   8.279
  114    H    LEU  14           HN       LEU  14  -3.166   4.448   4.448
  115    HA   LEU  14           HA       LEU  14  -4.278   4.156   4.156
  116   1HB   LEU  14           HB1      LEU  14  -3.430   2.295   2.295
  117   2HB   LEU  14           HB2      LEU  14  -4.614   1.717   1.717
  118    HG   LEU  14           HG       LEU  14  -1.900   2.902   2.902
  119   1HD1  LEU  14          HD13      LEU  14  -2.816   0.203   0.203
  120   2HD1  LEU  14          HD11      LEU  14  -2.100   0.298   0.298
  121   3HD1  LEU  14          HD12      LEU  14  -1.171   0.806   0.806
  122   1HD2  LEU  14          HD23      LEU  14  -4.320   2.476   2.476
  123   2HD2  LEU  14          HD21      LEU  14  -2.818   3.267   3.267
  124   3HD2  LEU  14          HD22      LEU  14  -2.985   1.519   1.519
  125    H    GLU  15           HN       GLU  15  -5.346   4.058   4.058
  126    HA   GLU  15           HA       GLU  15  -8.098   3.376   3.376
  127   1HB   GLU  15           HB1      GLU  15  -6.751   3.986   3.986
  128   2HB   GLU  15           HB2      GLU  15  -8.498   3.781   3.781
  129   1HG   GLU  15           HG1      GLU  15  -8.315   1.525   1.525
  130   2HG   GLU  15           HG2      GLU  15  -6.662   1.710   1.710
  131    H    ALA  16           HN       ALA  16  -6.236   6.204   6.204
  132    HA   ALA  16           HA       ALA  16  -8.286   8.035   8.035
  133   1HB   ALA  16           HB2      ALA  16  -5.784   8.495   8.495
  134   2HB   ALA  16           HB3      ALA  16  -6.795   9.781   9.781
  135   3HB   ALA  16           HB1      ALA  16  -5.939   8.687   8.687
  136    H    ARG  17           HN       ARG  17  -8.067   6.186   6.186
  137    HA   ARG  17           HA       ARG  17 -10.060   7.920   7.920
  138   1HB   ARG  17           HB1      ARG  17  -8.855   7.469   7.469
  139   2HB   ARG  17           HB2      ARG  17  -8.051   8.604   8.604
  140   1HG   ARG  17           HG1      ARG  17  -6.587   6.805   6.805
  141   2HG   ARG  17           HG2      ARG  17  -7.417   5.643   5.643
  142   1HD   ARG  17           HD1      ARG  17  -6.783   7.279   7.279
  143   2HD   ARG  17           HD2      ARG  17  -5.604   7.918   7.918
  144    HE   ARG  17           HE       ARG  17  -5.465   5.025   5.025
  145   1HH1  ARG  17          HH21      ARG  17  -4.915   7.805   7.805
  146   2HH1  ARG  17          HH22      ARG  17  -3.370   7.277   7.277
  147   1HH2  ARG  17          HH11      ARG  17  -3.317   4.418   4.418
  148   2HH2  ARG  17          HH12      ARG  17  -2.463   5.360   5.360
  149    H    GLY  18           HN       GLY  18 -11.042   5.843   5.843
  150   1HA   GLY  18           HA1      GLY  18 -11.910   4.063   4.063
  151   2HA   GLY  18           HA2      GLY  18 -10.777   3.246   3.246
  152    H    THR  19           HN       THR  19 -13.723   2.846   2.846
  153    HA   THR  19           HA       THR  19 -14.579   3.341   3.341
  154    HB   THR  19           HB       THR  19 -16.849   3.563   3.563
  155    HG1  THR  19           HG1      THR  19 -15.754   2.528   2.528
  156   1HG2  THR  19          HG23      THR  19 -14.909   5.365   5.365
  157   2HG2  THR  19          HG21      THR  19 -15.595   5.068   5.068
  158   3HG2  THR  19          HG22      THR  19 -16.627   5.643   5.643
  159    H    ASP  20           HN       ASP  20 -13.162   1.010   1.010
  160    HA   ASP  20           HA       ASP  20 -14.990  -1.074  -1.074
  161   1HB   ASP  20           HB1      ASP  20 -14.986  -0.728  -0.728
  162   2HB   ASP  20           HB2      ASP  20 -13.527  -1.712  -1.712
  163    H    SER  21           HN       SER  21 -13.082  -0.476  -0.476
  164    HA   SER  21           HA       SER  21 -11.291  -2.720  -2.720
  165   1HB   SER  21           HB1      SER  21 -10.240  -0.052  -0.052
  166   2HB   SER  21           HB2      SER  21  -9.193  -1.164  -1.164
  167    HG   SER  21           HG       SER  21  -9.903  -2.778  -2.778
  168    H    ASN  22           HN       ASN  22 -13.185  -1.150  -1.150
  169    HA   ASN  22           HA       ASN  22 -11.370  -0.202  -0.202
  170   1HB   ASN  22           HB1      ASN  22 -14.153   0.325   0.325
  171   2HB   ASN  22           HB2      ASN  22 -13.948   0.085   0.085
  172   1HD2  ASN  22          HD22      ASN  22 -11.642   3.083   3.083
  173   2HD2  ASN  22          HD21      ASN  22 -11.770   1.601   1.601
  174    H    ALA  23           HN       ALA  23 -12.023  -3.074  -3.074
  175    HA   ALA  23           HA       ALA  23 -12.799  -4.082  -4.082
  176   1HB   ALA  23           HB3      ALA  23 -14.178  -4.557  -4.557
  177   2HB   ALA  23           HB1      ALA  23 -13.024  -5.889  -5.889
  178   3HB   ALA  23           HB2      ALA  23 -14.093  -5.716  -5.716
  179    H    GLU  24           HN       GLU  24 -10.612  -4.421  -4.421
  180    HA   GLU  24           HA       GLU  24  -9.129  -6.589  -6.589
  181   1HB   GLU  24           HB1      GLU  24  -8.481  -5.006  -5.006
  182   2HB   GLU  24           HB2      GLU  24  -7.726  -6.520  -6.520
  183   1HG   GLU  24           HG1      GLU  24 -10.190  -7.424  -7.424
  184   2HG   GLU  24           HG2      GLU  24 -10.513  -6.037  -6.037
  185    H    LEU  25           HN       LEU  25  -9.315  -3.823  -3.823
  186    HA   LEU  25           HA       LEU  25  -6.615  -2.725  -2.725
  187   1HB   LEU  25           HB1      LEU  25  -9.102  -2.040  -2.040
  188   2HB   LEU  25           HB2      LEU  25  -7.569  -1.442  -1.442
  189    HG   LEU  25           HG       LEU  25  -7.761  -1.102  -1.102
  190   1HD1  LEU  25          HD13      LEU  25 -10.202  -0.903  -0.903
  191   2HD1  LEU  25          HD11      LEU  25  -9.693   0.531   0.531
  192   3HD1  LEU  25          HD12      LEU  25  -9.538   0.483   0.483
  193   1HD2  LEU  25          HD22      LEU  25  -6.160  -0.025  -0.025
  194   2HD2  LEU  25          HD23      LEU  25  -6.946   1.095   1.095
  195   3HD2  LEU  25          HD21      LEU  25  -7.516   0.958   0.958
  196    H    ARG  26           HN       ARG  26  -8.176  -5.127  -5.127
  197    HA   ARG  26           HA       ARG  26  -6.377  -4.949  -4.949
  198   1HB   ARG  26           HB1      ARG  26  -8.713  -6.457  -6.457
  199   2HB   ARG  26           HB2      ARG  26  -7.453  -7.570  -7.570
  200   1HG   ARG  26           HG1      ARG  26  -8.802  -6.809  -6.809
  201   2HG   ARG  26           HG2      ARG  26  -7.148  -6.211  -6.211
  202   1HD   ARG  26           HD1      ARG  26  -8.843  -4.450  -4.450
  203   2HD   ARG  26           HD2      ARG  26  -7.832  -4.035  -4.035
  204    HE   ARG  26           HE       ARG  26 -10.141  -5.380  -5.380
  205   1HH1  ARG  26          HH11      ARG  26  -9.099  -2.661  -2.661
  206   2HH1  ARG  26          HH12      ARG  26 -10.425  -1.634  -1.634
  207   1HH2  ARG  26          HH21      ARG  26 -11.913  -3.978  -3.978
  208   2HH2  ARG  26          HH22      ARG  26 -12.018  -2.380  -2.380
  209    H    ALA  27           HN       ALA  27  -6.519  -6.886  -6.886
  210    HA   ALA  27           HA       ALA  27  -4.357  -8.638  -8.638
  211   1HB   ALA  27           HB3      ALA  27  -6.062  -8.852  -8.852
  212   2HB   ALA  27           HB1      ALA  27  -5.039  -7.720  -7.720
  213   3HB   ALA  27           HB2      ALA  27  -4.394  -9.281  -9.281
  214    H    MET  28           HN       MET  28  -4.444  -5.320  -5.320
  215    HA   MET  28           HA       MET  28  -1.748  -5.227  -5.227
  216   1HB   MET  28           HB1      MET  28  -3.444  -3.526  -3.526
  217   2HB   MET  28           HB2      MET  28  -3.490  -2.998  -2.998
  218   1HG   MET  28           HG1      MET  28  -1.024  -2.514  -2.514
  219   2HG   MET  28           HG2      MET  28  -1.122  -2.869  -2.869
  220   1HE   MET  28           HE2      MET  28  -2.893  -1.016  -1.016
  221   2HE   MET  28           HE3      MET  28  -1.339  -0.204  -0.204
  222   3HE   MET  28           HE1      MET  28  -2.840   0.666   0.666
  223    H    GLU  29           HN       GLU  29  -3.120  -5.200  -5.200
  224    HA   GLU  29           HA       GLU  29  -1.112  -3.784  -3.784
  225   1HB   GLU  29           HB1      GLU  29  -3.250  -4.537  -4.537
  226   2HB   GLU  29           HB2      GLU  29  -2.692  -6.208  -6.208
  227   1HG   GLU  29           HG1      GLU  29  -0.728  -5.573  -5.573
  228   2HG   GLU  29           HG2      GLU  29  -1.421  -3.960  -3.960
  229    H    ALA  30           HN       ALA  30  -1.369  -7.320  -7.320
  230    HA   ALA  30           HA       ALA  30   1.224  -7.883  -7.883
  231   1HB   ALA  30           HB3      ALA  30  -0.681  -9.528  -9.528
  232   2HB   ALA  30           HB1      ALA  30  -0.262  -9.530  -9.530
  233   3HB   ALA  30           HB2      ALA  30   0.906 -10.098 -10.098
  234    H    LYS  31           HN       LYS  31   0.060  -7.519  -7.519
  235    HA   LYS  31           HA       LYS  31   2.554  -7.995  -7.995
  236   1HB   LYS  31           HB1      LYS  31  -0.036  -7.270  -7.270
  237   2HB   LYS  31           HB2      LYS  31   1.008  -5.971  -5.971
  238   1HG   LYS  31           HG1      LYS  31   2.539  -8.072  -8.072
  239   2HG   LYS  31           HG2      LYS  31   0.960  -8.856  -8.856
  240   1HD   LYS  31           HD1      LYS  31   0.144  -7.150  -7.150
  241   2HD   LYS  31           HD2      LYS  31   1.667  -6.268  -6.268
  242   1HE   LYS  31           HE1      LYS  31   2.095  -9.068  -9.068
  243   2HE   LYS  31           HE2      LYS  31   1.061  -8.258  -8.258
  244   1HZ   LYS  31           HZ2      LYS  31   3.511  -6.935  -6.935
  245   2HZ   LYS  31           HZ3      LYS  31   3.616  -8.134  -8.134
  246   3HZ   LYS  31           HZ1      LYS  31   2.687  -6.742  -6.742
  247    H    LEU  32           HN       LEU  32   1.524  -5.347  -5.347
  248    HA   LEU  32           HA       LEU  32   2.931  -3.180  -3.180
  249   1HB   LEU  32           HB1      LEU  32   1.432  -2.926  -2.926
  250   2HB   LEU  32           HB2      LEU  32   2.556  -3.845  -3.845
  251    HG   LEU  32           HG       LEU  32   4.146  -1.869  -1.869
  252   1HD1  LEU  32          HD13      LEU  32   1.876  -0.838  -0.838
  253   2HD1  LEU  32          HD11      LEU  32   1.657  -0.530  -0.530
  254   3HD1  LEU  32          HD12      LEU  32   3.010   0.204   0.204
  255   1HD2  LEU  32          HD21      LEU  32   3.801  -2.862  -2.862
  256   2HD2  LEU  32          HD22      LEU  32   4.552  -1.283  -1.283
  257   3HD2  LEU  32          HD23      LEU  32   2.850  -1.391  -1.391
  258    H    LYS  33           HN       LYS  33   4.142  -5.169  -5.169
  259    HA   LYS  33           HA       LYS  33   6.843  -4.294  -4.294
  260   1HB   LYS  33           HB1      LYS  33   5.592  -6.672  -6.672
  261   2HB   LYS  33           HB2      LYS  33   7.337  -6.408  -6.408
  262   1HG   LYS  33           HG1      LYS  33   7.039  -4.223  -4.223
  263   2HG   LYS  33           HG2      LYS  33   5.286  -4.378  -4.378
  264   1HD   LYS  33           HD1      LYS  33   5.214  -6.056  -6.056
  265   2HD   LYS  33           HD2      LYS  33   6.919  -6.459  -6.459
  266   1HE   LYS  33           HE1      LYS  33   7.353  -4.024  -4.024
  267   2HE   LYS  33           HE2      LYS  33   5.693  -4.088  -4.088
  268   1HZ   LYS  33           HZ3      LYS  33   7.821  -6.044  -6.044
  269   2HZ   LYS  33           HZ1      LYS  33   7.308  -4.776  -4.776
  270   3HZ   LYS  33           HZ2      LYS  33   6.234  -6.033  -6.033
  271    H    ALA  34           HN       ALA  34   5.013  -6.917  -6.917
  272    HA   ALA  34           HA       ALA  34   7.142  -8.506  -8.506
  273   1HB   ALA  34           HB1      ALA  34   4.398  -8.524  -8.524
  274   2HB   ALA  34           HB2      ALA  34   4.937  -8.145  -8.145
  275   3HB   ALA  34           HB3      ALA  34   5.504  -9.612  -9.612
  276    H    GLU  35           HN       GLU  35   5.832  -5.453  -5.453
  277    HA   GLU  35           HA       GLU  35   7.393  -5.544  -5.544
  278   1HB   GLU  35           HB1      GLU  35   5.196  -4.099  -4.099
  279   2HB   GLU  35           HB2      GLU  35   6.488  -2.901  -2.901
  280   1HG   GLU  35           HG1      GLU  35   6.568  -4.589  -4.589
  281   2HG   GLU  35           HG2      GLU  35   5.111  -3.603  -3.603
  282    H    ILE  36           HN       ILE  36   7.691  -3.988  -3.988
  283    HA   ILE  36           HA       ILE  36   9.826  -2.258  -2.258
  284    HB   ILE  36           HB       ILE  36   9.490  -4.135  -4.135
  285   1HG1  ILE  36          HG11      ILE  36   8.505  -1.295  -1.295
  286   2HG1  ILE  36          HG12      ILE  36   7.490  -2.735  -2.735
  287   1HG2  ILE  36          HG23      ILE  36  11.540  -2.264  -2.264
  288   2HG2  ILE  36          HG21      ILE  36  10.583  -1.563  -1.563
  289   3HG2  ILE  36          HG22      ILE  36  11.327  -3.149  -3.149
  290   1HD1  ILE  36          HD11      ILE  36   8.583  -3.177  -3.177
  291   2HD1  ILE  36          HD12      ILE  36   8.768  -1.423  -1.423
  292   3HD1  ILE  36          HD13      ILE  36   7.165  -2.144  -2.144
  293    H    GLN  37           HN       GLN  37   9.897  -5.777  -5.777
  294    HA   GLN  37           HA       GLN  37  12.778  -5.974  -5.974
  295   1HB   GLN  37           HB1      GLN  37  10.898  -7.746  -7.746
  296   2HB   GLN  37           HB2      GLN  37  11.064  -8.172  -8.172
  297   1HG   GLN  37           HG1      GLN  37  13.584  -7.827  -7.827
  298   2HG   GLN  37           HG2      GLN  37  12.615  -9.256  -9.256
  299   1HE2  GLN  37          HE22      GLN  37  14.288 -10.775 -10.775
  300   2HE2  GLN  37          HE21      GLN  37  14.052 -10.770 -10.770
  301    H    LYS  38           HN       LYS  38  10.545  -7.085  -7.085
  302    HA   LYS  38           HA       LYS  38  12.434  -7.185  -7.185
  303   1HB   LYS  38           HB1      LYS  38   9.546  -6.331  -6.331
  304   2HB   LYS  38           HB2      LYS  38  10.570  -7.126  -7.126
  305   1HG   LYS  38           HG1      LYS  38  10.777  -8.908  -8.908
  306   2HG   LYS  38           HG2      LYS  38   9.169  -8.268  -8.268
  307   1HD   LYS  38           HD1      LYS  38   8.279  -9.360  -9.360
  308   2HD   LYS  38           HD2      LYS  38   9.542  -8.769  -8.769
  309   1HE   LYS  38           HE1      LYS  38  10.033 -11.006 -11.006
  310   2HE   LYS  38           HE2      LYS  38   9.423 -11.313 -11.313
  311   1HZ   LYS  38           HZ1      LYS  38  11.451  -9.712  -9.712
  312   2HZ   LYS  38           HZ2      LYS  38  12.055 -10.420 -10.420
  313   3HZ   LYS  38           HZ3      LYS  38  11.615 -11.397 -11.397
  314   1HN   NH2  39          1HN       NH2  39  10.714  -3.598  -3.598
  315   2HN   NH2  39          2HN       NH2  39  11.948  -3.965  -3.965

  Start of MODEL   14
    1   1H2   SIN   0          1H2       SIN   0  12.213   1.348   1.348
    2   2H2   SIN   0          2H2       SIN   0  12.272   0.007   0.007
    3   1H3   SIN   0          1H3       SIN   0  12.862   1.716   1.716
    4   2H3   SIN   0          2H3       SIN   0  14.467   1.316   1.316
    5    H    ASP   1           HN       ASP   1  12.561   4.200   4.200
    6    HA   ASP   1           HA       ASP   1  11.229   3.692   3.692
    7   1HB   ASP   1           HB1      ASP   1  13.315   4.533   4.533
    8   2HB   ASP   1           HB2      ASP   1  13.111   6.063   6.063
    9    H    TRP   2           HN       TRP   2  12.230   6.265   6.265
   10    HA   TRP   2           HA       TRP   2  10.072   8.014   8.014
   11   1HB   TRP   2           HB1      TRP   2  10.580   8.825   8.825
   12   2HB   TRP   2           HB2      TRP   2  12.107   8.369   8.369
   13    HD1  TRP   2           HD1      TRP   2  13.030   5.887   5.887
   14    HE1  TRP   2           HE1      TRP   2  12.874   4.560   4.560
   15    HE3  TRP   2           HE3      TRP   2   9.209   8.396   8.396
   16    HZ2  TRP   2           HZ2      TRP   2  11.303   4.573   4.573
   17    HZ3  TRP   2           HZ3      TRP   2   8.395   7.730   7.730
   18    HH2  TRP   2           HH2      TRP   2   9.438   5.820   5.820
   19    H    LEU   3           HN       LEU   3  10.271   4.972   4.972
   20    HA   LEU   3           HA       LEU   3   7.970   5.138   5.138
   21   1HB   LEU   3           HB1      LEU   3   9.435   2.876   2.876
   22   2HB   LEU   3           HB2      LEU   3   7.882   2.551   2.551
   23    HG   LEU   3           HG       LEU   3   9.228   4.183   4.183
   24   1HD1  LEU   3          HD12      LEU   3  11.245   3.539   3.539
   25   2HD1  LEU   3          HD13      LEU   3  11.139   1.984   1.984
   26   3HD1  LEU   3          HD11      LEU   3  11.437   3.455   3.455
   27   1HD2  LEU   3          HD23      LEU   3   8.096   1.568   1.568
   28   2HD2  LEU   3          HD21      LEU   3   8.412   2.517   2.517
   29   3HD2  LEU   3          HD22      LEU   3   9.647   1.425   1.425
   30    H    LYS   4           HN       LYS   4   8.223   4.421   4.421
   31    HA   LYS   4           HA       LYS   4   5.584   3.478   3.478
   32   1HB   LYS   4           HB1      LYS   4   7.740   4.571   4.571
   33   2HB   LYS   4           HB2      LYS   4   6.148   5.033   5.033
   34   1HG   LYS   4           HG1      LYS   4   6.199   2.984   2.984
   35   2HG   LYS   4           HG2      LYS   4   5.738   2.397   2.397
   36   1HD   LYS   4           HD1      LYS   4   7.777   1.459   1.459
   37   2HD   LYS   4           HD2      LYS   4   8.631   2.841   2.841
   38   1HE   LYS   4           HE1      LYS   4   7.138   0.835   0.835
   39   2HE   LYS   4           HE2      LYS   4   8.842   0.644   0.644
   40   1HZ   LYS   4           HZ2      LYS   4   8.916   3.117   3.117
   41   2HZ   LYS   4           HZ3      LYS   4   7.557   2.618   2.618
   42   3HZ   LYS   4           HZ1      LYS   4   9.036   1.810   1.810
   43    H    ALA   5           HN       ALA   5   6.815   6.772   6.772
   44    HA   ALA   5           HA       ALA   5   4.242   7.983   7.983
   45   1HB   ALA   5           HB3      ALA   5   6.458   9.124   9.124
   46   2HB   ALA   5           HB1      ALA   5   6.618   9.239   9.239
   47   3HB   ALA   5           HB2      ALA   5   5.305  10.082  10.082
   48    H    ARG   6           HN       ARG   6   6.068   7.293   7.293
   49    HA   ARG   6           HA       ARG   6   3.978   8.431   8.431
   50   1HB   ARG   6           HB1      ARG   6   5.363   7.861   7.861
   51   2HB   ARG   6           HB2      ARG   6   6.471   8.347   8.347
   52   1HG   ARG   6           HG1      ARG   6   7.506   6.363   6.363
   53   2HG   ARG   6           HG2      ARG   6   6.111   5.621   5.621
   54   1HD   ARG   6           HD1      ARG   6   4.990   5.518   5.518
   55   2HD   ARG   6           HD2      ARG   6   6.485   6.107   6.107
   56    HE   ARG   6           HE       ARG   6   7.085   3.817   3.817
   57   1HH1  ARG   6          HH21      ARG   6   4.454   3.307   3.307
   58   2HH1  ARG   6          HH22      ARG   6   5.124   2.442   2.442
   59   1HH2  ARG   6          HH11      ARG   6   8.396   3.337   3.337
   60   2HH2  ARG   6          HH12      ARG   6   7.355   2.458   2.458
   61    H    VAL   7           HN       VAL   7   4.168   5.595   5.595
   62    HA   VAL   7           HA       VAL   7   2.865   3.929   3.929
   63    HB   VAL   7           HB       VAL   7   3.804   3.410   3.410
   64   1HG1  VAL   7          HG12      VAL   7   1.771   1.993   1.993
   65   2HG1  VAL   7          HG13      VAL   7   3.069   0.957   0.957
   66   3HG1  VAL   7          HG11      VAL   7   2.106   1.903   1.903
   67   1HG2  VAL   7          HG23      VAL   7   5.126   3.330   3.330
   68   2HG2  VAL   7          HG21      VAL   7   5.570   2.366   2.366
   69   3HG2  VAL   7          HG22      VAL   7   4.564   1.664   1.664
   70    H    GLU   8           HN       GLU   8   2.114   5.466   5.466
   71    HA   GLU   8           HA       GLU   8  -0.538   4.446   4.446
   72   1HB   GLU   8           HB1      GLU   8   0.574   7.105   7.105
   73   2HB   GLU   8           HB2      GLU   8  -0.900   6.334   6.334
   74   1HG   GLU   8           HG1      GLU   8   0.360   4.470   4.470
   75   2HG   GLU   8           HG2      GLU   8   1.842   5.046   5.046
   76    H    GLN   9           HN       GLN   9   0.442   7.716   7.716
   77    HA   GLN   9           HA       GLN   9  -2.046   8.595   8.595
   78   1HB   GLN   9           HB1      GLN   9  -0.851  10.110  10.110
   79   2HB   GLN   9           HB2      GLN   9   0.070   9.950   9.950
   80   1HG   GLN   9           HG1      GLN   9   1.637   8.456   8.456
   81   2HG   GLN   9           HG2      GLN   9   0.610   8.244   8.244
   82   1HE2  GLN   9          HE22      GLN   9   2.927  10.678  10.678
   83   2HE2  GLN   9          HE21      GLN   9   2.678   9.005   9.005
   84    H    GLU  10           HN       GLU  10   0.056   6.197   6.197
   85    HA   GLU  10           HA       GLU  10  -1.102   6.213   6.213
   86   1HB   GLU  10           HB1      GLU  10   0.785   4.563   4.563
   87   2HB   GLU  10           HB2      GLU  10  -0.215   3.623   3.623
   88   1HG   GLU  10           HG1      GLU  10   1.411   6.080   6.080
   89   2HG   GLU  10           HG2      GLU  10   1.836   4.414   4.414
   90    H    LEU  11           HN       LEU  11  -1.493   3.754   3.754
   91    HA   LEU  11           HA       LEU  11  -3.789   2.561   2.561
   92   1HB   LEU  11           HB1      LEU  11  -3.083   2.542   2.542
   93   2HB   LEU  11           HB2      LEU  11  -4.034   1.343   1.343
   94    HG   LEU  11           HG       LEU  11  -1.421   1.797   1.797
   95   1HD1  LEU  11          HD11      LEU  11  -1.033   2.185   2.185
   96   2HD1  LEU  11          HD12      LEU  11  -1.363   0.460   0.460
   97   3HD1  LEU  11          HD13      LEU  11  -0.007   1.007   1.007
   98   1HD2  LEU  11          HD23      LEU  11  -3.275  -0.151  -0.151
   99   2HD2  LEU  11          HD21      LEU  11  -1.572  -0.470  -0.470
  100   3HD2  LEU  11          HD22      LEU  11  -2.240  -0.798  -0.798
  101    H    GLN  12           HN       GLN  12  -3.458   5.525   5.525
  102    HA   GLN  12           HA       GLN  12  -6.177   5.566   5.566
  103   1HB   GLN  12           HB1      GLN  12  -4.109   6.845   6.845
  104   2HB   GLN  12           HB2      GLN  12  -4.429   7.989   7.989
  105   1HG   GLN  12           HG1      GLN  12  -6.678   8.387   8.387
  106   2HG   GLN  12           HG2      GLN  12  -6.479   7.132   7.132
  107   1HE2  GLN  12          HE22      GLN  12  -5.744  10.256  10.256
  108   2HE2  GLN  12          HE21      GLN  12  -7.097   9.439   9.439
  109    H    ALA  13           HN       ALA  13  -4.457   7.180   7.180
  110    HA   ALA  13           HA       ALA  13  -6.675   8.642   8.642
  111   1HB   ALA  13           HB2      ALA  13  -4.107   8.601   8.601
  112   2HB   ALA  13           HB3      ALA  13  -4.676   7.468   7.468
  113   3HB   ALA  13           HB1      ALA  13  -5.332   9.104   9.104
  114    H    LEU  14           HN       LEU  14  -5.814   5.259   5.259
  115    HA   LEU  14           HA       LEU  14  -7.505   4.669   4.669
  116   1HB   LEU  14           HB1      LEU  14  -5.807   3.215   3.215
  117   2HB   LEU  14           HB2      LEU  14  -7.364   2.393   2.393
  118    HG   LEU  14           HG       LEU  14  -5.855   1.574   1.574
  119   1HD1  LEU  14          HD13      LEU  14  -8.393   2.055   2.055
  120   2HD1  LEU  14          HD11      LEU  14  -7.828   3.373   3.373
  121   3HD1  LEU  14          HD12      LEU  14  -7.388   1.707   1.707
  122   1HD2  LEU  14          HD21      LEU  14  -4.575   3.796   3.796
  123   2HD2  LEU  14          HD22      LEU  14  -4.877   3.014   3.014
  124   3HD2  LEU  14          HD23      LEU  14  -5.868   4.383   4.383
  125    H    GLU  15           HN       GLU  15  -8.036   3.766   3.766
  126    HA   GLU  15           HA       GLU  15 -10.826   3.245   3.245
  127   1HB   GLU  15           HB1      GLU  15 -10.892   3.528   3.528
  128   2HB   GLU  15           HB2      GLU  15  -9.778   2.307   2.307
  129   1HG   GLU  15           HG1      GLU  15  -7.891   3.666   3.666
  130   2HG   GLU  15           HG2      GLU  15  -8.857   5.140   5.140
  131    H    ALA  16           HN       ALA  16  -9.115   6.182   6.182
  132    HA   ALA  16           HA       ALA  16 -10.874   7.948   7.948
  133   1HB   ALA  16           HB2      ALA  16  -8.590   8.402   8.402
  134   2HB   ALA  16           HB3      ALA  16  -9.569   8.692   8.692
  135   3HB   ALA  16           HB1      ALA  16  -9.803   9.684   9.684
  136    H    ARG  17           HN       ARG  17 -11.255   6.270   6.270
  137    HA   ARG  17           HA       ARG  17 -14.057   6.946   6.946
  138   1HB   ARG  17           HB1      ARG  17 -13.865   8.149   8.149
  139   2HB   ARG  17           HB2      ARG  17 -13.366   9.082   9.082
  140   1HG   ARG  17           HG1      ARG  17 -11.200   9.159   9.159
  141   2HG   ARG  17           HG2      ARG  17 -11.208   7.468   7.468
  142   1HD   ARG  17           HD1      ARG  17 -11.310   8.177   8.177
  143   2HD   ARG  17           HD2      ARG  17 -12.919   8.813   8.813
  144    HE   ARG  17           HE       ARG  17 -10.565  10.403  10.403
  145   1HH1  ARG  17          HH21      ARG  17 -13.659  10.195  10.195
  146   2HH1  ARG  17          HH22      ARG  17 -13.658  11.831  11.831
  147   1HH2  ARG  17          HH11      ARG  17 -10.428  12.486  12.486
  148   2HH2  ARG  17          HH12      ARG  17 -11.830  13.127  13.127
  149    H    GLY  18           HN       GLY  18 -12.981   4.487   4.487
  150   1HA   GLY  18           HA1      GLY  18 -13.234   3.591   3.591
  151   2HA   GLY  18           HA2      GLY  18 -12.050   2.866   2.866
  152    H    THR  19           HN       THR  19 -13.747   2.829   2.829
  153    HA   THR  19           HA       THR  19 -15.179   1.258   1.258
  154    HB   THR  19           HB       THR  19 -17.427   1.368   1.368
  155    HG1  THR  19           HG1      THR  19 -17.497   0.819   0.819
  156   1HG2  THR  19          HG23      THR  19 -16.353   3.568   3.568
  157   2HG2  THR  19          HG21      THR  19 -16.163   3.901   3.901
  158   3HG2  THR  19          HG22      THR  19 -17.776   3.715   3.715
  159    H    ASP  20           HN       ASP  20 -13.223   0.318   0.318
  160    HA   ASP  20           HA       ASP  20 -14.437  -2.374  -2.374
  161   1HB   ASP  20           HB1      ASP  20 -14.544  -0.734  -0.734
  162   2HB   ASP  20           HB2      ASP  20 -12.910  -1.362  -1.362
  163    H    SER  21           HN       SER  21 -12.547  -1.726  -1.726
  164    HA   SER  21           HA       SER  21 -10.484  -3.592  -3.592
  165   1HB   SER  21           HB1      SER  21  -8.731  -2.488  -2.488
  166   2HB   SER  21           HB2      SER  21  -9.982  -1.428  -1.428
  167    HG   SER  21           HG       SER  21  -8.223  -0.378  -0.378
  168    H    ASN  22           HN       ASN  22 -12.251  -2.552  -2.552
  169    HA   ASN  22           HA       ASN  22 -10.422  -1.288  -1.288
  170   1HB   ASN  22           HB1      ASN  22 -12.971  -0.780  -0.780
  171   2HB   ASN  22           HB2      ASN  22 -13.202  -2.241  -2.241
  172   1HD2  ASN  22          HD22      ASN  22 -12.116  -0.734  -0.734
  173   2HD2  ASN  22          HD21      ASN  22 -12.539  -2.184  -2.184
  174    H    ALA  23           HN       ALA  23 -10.314  -4.169  -4.169
  175    HA   ALA  23           HA       ALA  23 -10.169  -5.486  -5.486
  176   1HB   ALA  23           HB2      ALA  23 -11.166  -6.489  -6.489
  177   2HB   ALA  23           HB3      ALA  23 -10.462  -7.628  -7.628
  178   3HB   ALA  23           HB1      ALA  23 -11.879  -6.681  -6.681
  179    H    GLU  24           HN       GLU  24  -8.765  -5.233  -5.233
  180    HA   GLU  24           HA       GLU  24  -6.540  -6.966  -6.966
  181   1HB   GLU  24           HB1      GLU  24  -5.607  -6.044  -6.044
  182   2HB   GLU  24           HB2      GLU  24  -7.343  -6.262  -6.262
  183   1HG   GLU  24           HG1      GLU  24  -7.771  -3.936  -3.936
  184   2HG   GLU  24           HG2      GLU  24  -6.163  -3.643  -3.643
  185    H    LEU  25           HN       LEU  25  -7.278  -3.977  -3.977
  186    HA   LEU  25           HA       LEU  25  -4.755  -2.654  -2.654
  187   1HB   LEU  25           HB1      LEU  25  -7.058  -2.660  -2.660
  188   2HB   LEU  25           HB2      LEU  25  -5.633  -1.642  -1.642
  189    HG   LEU  25           HG       LEU  25  -6.715  -1.494  -1.494
  190   1HD1  LEU  25          HD11      LEU  25  -8.806  -1.902  -1.902
  191   2HD1  LEU  25          HD12      LEU  25  -8.443  -0.398  -0.398
  192   3HD1  LEU  25          HD13      LEU  25  -8.781  -0.377  -0.377
  193   1HD2  LEU  25          HD23      LEU  25  -5.313   0.094   0.094
  194   2HD2  LEU  25          HD21      LEU  25  -5.694   0.503   0.503
  195   3HD2  LEU  25          HD22      LEU  25  -6.805   0.954   0.954
  196    H    ARG  26           HN       ARG  26  -6.158  -4.992  -4.992
  197    HA   ARG  26           HA       ARG  26  -3.888  -5.032  -5.032
  198   1HB   ARG  26           HB1      ARG  26  -6.414  -6.285  -6.285
  199   2HB   ARG  26           HB2      ARG  26  -5.229  -7.591  -7.591
  200   1HG   ARG  26           HG1      ARG  26  -5.620  -7.116  -7.116
  201   2HG   ARG  26           HG2      ARG  26  -4.117  -6.266  -6.266
  202   1HD   ARG  26           HD1      ARG  26  -6.571  -4.710  -4.710
  203   2HD   ARG  26           HD2      ARG  26  -6.306  -5.103  -5.103
  204    HE   ARG  26           HE       ARG  26  -3.869  -4.157  -4.157
  205   1HH1  ARG  26          HH21      ARG  26  -6.197  -3.115  -3.115
  206   2HH1  ARG  26          HH22      ARG  26  -6.101  -1.435  -1.435
  207   1HH2  ARG  26          HH11      ARG  26  -4.091  -1.956  -1.956
  208   2HH2  ARG  26          HH12      ARG  26  -4.911  -0.779  -0.779
  209    H    ALA  27           HN       ALA  27  -4.730  -6.948  -6.948
  210    HA   ALA  27           HA       ALA  27  -2.493  -8.746  -8.746
  211   1HB   ALA  27           HB2      ALA  27  -4.241  -7.985  -7.985
  212   2HB   ALA  27           HB3      ALA  27  -3.005  -9.241  -9.241
  213   3HB   ALA  27           HB1      ALA  27  -4.385  -9.421  -9.421
  214    H    MET  28           HN       MET  28  -2.667  -5.471  -5.471
  215    HA   MET  28           HA       MET  28  -0.606  -5.344  -5.344
  216   1HB   MET  28           HB1      MET  28  -2.293  -3.526  -3.526
  217   2HB   MET  28           HB2      MET  28  -1.394  -3.180  -3.180
  218   1HG   MET  28           HG1      MET  28  -0.541  -1.664  -1.664
  219   2HG   MET  28           HG2      MET  28   0.672  -2.938  -2.938
  220   1HE   MET  28           HE2      MET  28   1.430  -1.685  -1.685
  221   2HE   MET  28           HE3      MET  28   1.836  -3.389  -3.389
  222   3HE   MET  28           HE1      MET  28   1.174  -2.473  -2.473
  223    H    GLU  29           HN       GLU  29  -0.623  -5.319  -5.319
  224    HA   GLU  29           HA       GLU  29   1.981  -4.398  -4.398
  225   1HB   GLU  29           HB1      GLU  29   1.859  -5.651  -5.651
  226   2HB   GLU  29           HB2      GLU  29   0.255  -5.005  -5.005
  227   1HG   GLU  29           HG1      GLU  29  -0.090  -7.302  -7.302
  228   2HG   GLU  29           HG2      GLU  29   1.252  -7.834  -7.834
  229    H    ALA  30           HN       ALA  30   0.911  -7.569  -7.569
  230    HA   ALA  30           HA       ALA  30   3.310  -9.012  -9.012
  231   1HB   ALA  30           HB2      ALA  30   0.860  -9.295  -9.295
  232   2HB   ALA  30           HB3      ALA  30   2.250  -9.895  -9.895
  233   3HB   ALA  30           HB1      ALA  30   1.890 -10.547 -10.547
  234    H    LYS  31           HN       LYS  31   2.236  -7.367  -7.367
  235    HA   LYS  31           HA       LYS  31   4.693  -7.674  -7.674
  236   1HB   LYS  31           HB1      LYS  31   2.314  -5.900  -5.900
  237   2HB   LYS  31           HB2      LYS  31   3.781  -5.396  -5.396
  238   1HG   LYS  31           HG1      LYS  31   3.753  -7.220  -7.220
  239   2HG   LYS  31           HG2      LYS  31   2.949  -8.257  -8.257
  240   1HD   LYS  31           HD1      LYS  31   0.982  -7.828  -7.828
  241   2HD   LYS  31           HD2      LYS  31   1.165  -6.122  -6.122
  242   1HE   LYS  31           HE1      LYS  31   2.863  -6.322  -6.322
  243   2HE   LYS  31           HE2      LYS  31   1.644  -7.518  -7.518
  244   1HZ   LYS  31           HZ2      LYS  31   0.232  -5.367  -5.367
  245   2HZ   LYS  31           HZ3      LYS  31   1.462  -4.680  -4.680
  246   3HZ   LYS  31           HZ1      LYS  31   0.408  -5.823  -5.823
  247    H    LEU  32           HN       LEU  32   3.783  -5.513  -5.513
  248    HA   LEU  32           HA       LEU  32   5.597  -3.381  -3.381
  249   1HB   LEU  32           HB1      LEU  32   3.751  -3.641  -3.641
  250   2HB   LEU  32           HB2      LEU  32   4.991  -4.465  -4.465
  251    HG   LEU  32           HG       LEU  32   6.379  -2.276  -2.276
  252   1HD1  LEU  32          HD13      LEU  32   3.546  -1.690  -1.690
  253   2HD1  LEU  32          HD11      LEU  32   4.301  -0.567  -0.567
  254   3HD1  LEU  32          HD12      LEU  32   4.961  -0.761  -0.761
  255   1HD2  LEU  32          HD21      LEU  32   4.651  -2.835  -2.835
  256   2HD2  LEU  32          HD22      LEU  32   6.410  -2.792  -2.792
  257   3HD2  LEU  32          HD23      LEU  32   5.490  -1.288  -1.288
  258    H    LYS  33           HN       LYS  33   6.118  -5.944  -5.944
  259    HA   LYS  33           HA       LYS  33   8.912  -5.501  -5.501
  260   1HB   LYS  33           HB1      LYS  33   7.176  -6.981  -6.981
  261   2HB   LYS  33           HB2      LYS  33   7.878  -8.264  -8.264
  262   1HG   LYS  33           HG1      LYS  33  10.005  -7.969  -7.969
  263   2HG   LYS  33           HG2      LYS  33   9.700  -6.286  -6.286
  264   1HD   LYS  33           HD1      LYS  33   9.331  -7.046  -7.046
  265   2HD   LYS  33           HD2      LYS  33   7.808  -7.685  -7.685
  266   1HE   LYS  33           HE1      LYS  33  10.457  -9.166  -9.166
  267   2HE   LYS  33           HE2      LYS  33   9.097  -9.447  -9.447
  268   1HZ   LYS  33           HZ1      LYS  33   8.028  -9.565  -9.565
  269   2HZ   LYS  33           HZ2      LYS  33   9.509 -10.386 -10.386
  270   3HZ   LYS  33           HZ3      LYS  33   8.364 -10.882 -10.882
  271    H    ALA  34           HN       ALA  34   7.118  -6.963  -6.963
  272    HA   ALA  34           HA       ALA  34   9.125  -8.843  -8.843
  273   1HB   ALA  34           HB3      ALA  34   6.741  -8.999  -8.999
  274   2HB   ALA  34           HB1      ALA  34   6.908  -7.491  -7.491
  275   3HB   ALA  34           HB2      ALA  34   7.809  -8.921  -8.921
  276    H    GLU  35           HN       GLU  35   8.433  -5.436  -5.436
  277    HA   GLU  35           HA       GLU  35  10.532  -5.324  -5.324
  278   1HB   GLU  35           HB1      GLU  35   8.549  -3.384  -3.384
  279   2HB   GLU  35           HB2      GLU  35   9.953  -2.767  -2.767
  280   1HG   GLU  35           HG1      GLU  35   8.217  -4.944  -4.944
  281   2HG   GLU  35           HG2      GLU  35   7.806  -3.240  -3.240
  282    H    ILE  36           HN       ILE  36   9.988  -3.805  -3.805
  283    HA   ILE  36           HA       ILE  36  12.443  -2.482  -2.482
  284    HB   ILE  36           HB       ILE  36  10.738  -3.878  -3.878
  285   1HG1  ILE  36          HG11      ILE  36  11.059  -0.983  -0.983
  286   2HG1  ILE  36          HG12      ILE  36  10.445  -1.495  -1.495
  287   1HG2  ILE  36          HG21      ILE  36  13.400  -2.577  -2.577
  288   2HG2  ILE  36          HG22      ILE  36  12.202  -2.111  -2.111
  289   3HG2  ILE  36          HG23      ILE  36  12.656  -3.805  -3.805
  290   1HD1  ILE  36          HD13      ILE  36   8.692  -2.833  -2.833
  291   2HD1  ILE  36          HD11      ILE  36   9.282  -2.224  -2.224
  292   3HD1  ILE  36          HD12      ILE  36   8.574  -1.113  -1.113
  293    H    GLN  37           HN       GLN  37  11.829  -5.895  -5.895
  294    HA   GLN  37           HA       GLN  37  14.024  -6.875  -6.875
  295   1HB   GLN  37           HB1      GLN  37  12.415  -8.449  -8.449
  296   2HB   GLN  37           HB2      GLN  37  12.655  -7.932  -7.932
  297   1HG   GLN  37           HG1      GLN  37  14.909  -8.840  -8.840
  298   2HG   GLN  37           HG2      GLN  37  14.808  -9.212  -9.212
  299   1HE2  GLN  37          HE22      GLN  37  13.334 -11.835 -11.835
  300   2HE2  GLN  37          HE21      GLN  37  14.194 -10.448 -10.448
  301    H    LYS  38           HN       LYS  38  14.061  -6.915  -6.915
  302    HA   LYS  38           HA       LYS  38  16.954  -6.632  -6.632
  303   1HB   LYS  38           HB1      LYS  38  16.694  -6.697  -6.697
  304   2HB   LYS  38           HB2      LYS  38  15.878  -8.043  -8.043
  305   1HG   LYS  38           HG1      LYS  38  13.995  -5.947  -5.947
  306   2HG   LYS  38           HG2      LYS  38  14.752  -5.950  -5.950
  307   1HD   LYS  38           HD1      LYS  38  14.039  -8.608  -8.608
  308   2HD   LYS  38           HD2      LYS  38  12.689  -7.575  -7.575
  309   1HE   LYS  38           HE1      LYS  38  15.015  -7.882  -7.882
  310   2HE   LYS  38           HE2      LYS  38  13.822  -9.177  -9.177
  311   1HZ   LYS  38           HZ2      LYS  38  12.084  -7.522  -7.522
  312   2HZ   LYS  38           HZ3      LYS  38  13.273  -6.323  -6.323
  313   3HZ   LYS  38           HZ1      LYS  38  13.196  -7.615  -7.615
  314   1HN   NH2  39          1HN       NH2  39  14.679  -4.092  -4.092
  315   2HN   NH2  39          2HN       NH2  39  16.137  -3.229  -3.229

  Start of MODEL   15
    1   1H2   SIN   0          1H2       SIN   0  15.557   3.167   3.167
    2   2H2   SIN   0          2H2       SIN   0  15.907   1.905   1.905
    3   1H3   SIN   0          1H3       SIN   0  15.359   3.553   3.553
    4   2H3   SIN   0          2H3       SIN   0  17.039   4.030   4.030
    5    H    ASP   1           HN       ASP   1  14.674   5.736   5.736
    6    HA   ASP   1           HA       ASP   1  13.384   6.346   6.346
    7   1HB   ASP   1           HB1      ASP   1  15.445   7.876   7.876
    8   2HB   ASP   1           HB2      ASP   1  14.703   8.753   8.753
    9    H    TRP   2           HN       TRP   2  13.985   7.652   7.652
   10    HA   TRP   2           HA       TRP   2  11.449   8.777   8.777
   11   1HB   TRP   2           HB1      TRP   2  11.936   8.625   8.625
   12   2HB   TRP   2           HB2      TRP   2  13.435   9.013   9.013
   13    HD1  TRP   2           HD1      TRP   2  15.200   7.115   7.115
   14    HE1  TRP   2           HE1      TRP   2  15.602   4.881   4.881
   15    HE3  TRP   2           HE3      TRP   2  10.716   6.627   6.627
   16    HZ2  TRP   2           HZ2      TRP   2  14.150   3.128   3.128
   17    HZ3  TRP   2           HZ3      TRP   2  10.250   4.695   4.695
   18    HH2  TRP   2           HH2      TRP   2  11.958   2.938   2.938
   19    H    LEU   3           HN       LEU   3  12.567   5.470   5.470
   20    HA   LEU   3           HA       LEU   3  10.445   4.341   4.341
   21   1HB   LEU   3           HB1      LEU   3  12.322   2.974   2.974
   22   2HB   LEU   3           HB2      LEU   3  12.384   3.315   3.315
   23    HG   LEU   3           HG       LEU   3  10.439   1.993   1.993
   24   1HD1  LEU   3          HD12      LEU   3   9.883   2.596   2.596
   25   2HD1  LEU   3          HD13      LEU   3   9.946   0.841   0.841
   26   3HD1  LEU   3          HD11      LEU   3   8.839   1.771   1.771
   27   1HD2  LEU   3          HD22      LEU   3  12.777   0.948   0.948
   28   2HD2  LEU   3          HD23      LEU   3  11.876   0.252   0.252
   29   3HD2  LEU   3          HD21      LEU   3  11.373  -0.073  -0.073
   30    H    LYS   4           HN       LYS   4  10.680   5.236   5.236
   31    HA   LYS   4           HA       LYS   4   8.435   3.853   3.853
   32   1HB   LYS   4           HB1      LYS   4   9.337   6.683   6.683
   33   2HB   LYS   4           HB2      LYS   4   8.225   5.726   5.726
   34   1HG   LYS   4           HG1      LYS   4  10.477   4.082   4.082
   35   2HG   LYS   4           HG2      LYS   4  11.116   5.675   5.675
   36   1HD   LYS   4           HD1      LYS   4   8.899   5.106   5.106
   37   2HD   LYS   4           HD2      LYS   4  10.000   3.728   3.728
   38   1HE   LYS   4           HE1      LYS   4  10.577   6.612   6.612
   39   2HE   LYS   4           HE2      LYS   4  10.845   5.176   5.176
   40   1HZ   LYS   4           HZ2      LYS   4  12.301   4.662   4.662
   41   2HZ   LYS   4           HZ3      LYS   4  12.511   6.338   6.338
   42   3HZ   LYS   4           HZ1      LYS   4  12.922   5.295   5.295
   43    H    ALA   5           HN       ALA   5   8.658   6.775   6.775
   44    HA   ALA   5           HA       ALA   5   5.857   7.446   7.446
   45   1HB   ALA   5           HB3      ALA   5   8.150   8.606   8.606
   46   2HB   ALA   5           HB1      ALA   5   7.218   8.152   8.152
   47   3HB   ALA   5           HB2      ALA   5   6.504   9.206   9.206
   48    H    ARG   6           HN       ARG   6   7.834   5.394   5.394
   49    HA   ARG   6           HA       ARG   6   6.036   4.841   4.841
   50   1HB   ARG   6           HB1      ARG   6   7.977   3.041   3.041
   51   2HB   ARG   6           HB2      ARG   6   7.060   2.484   2.484
   52   1HG   ARG   6           HG1      ARG   6   8.513   5.070   5.070
   53   2HG   ARG   6           HG2      ARG   6   9.497   3.608   3.608
   54   1HD   ARG   6           HD1      ARG   6   8.585   4.439   4.439
   55   2HD   ARG   6           HD2      ARG   6   8.539   2.718   2.718
   56    HE   ARG   6           HE       ARG   6   6.103   3.227   3.227
   57   1HH1  ARG   6          HH21      ARG   6   6.983   6.082   6.082
   58   2HH1  ARG   6          HH22      ARG   6   5.958   6.079   6.079
   59   1HH2  ARG   6          HH11      ARG   6   5.131   2.723   2.723
   60   2HH2  ARG   6          HH12      ARG   6   4.908   4.176   4.176
   61    H    VAL   7           HN       VAL   7   6.158   3.452   3.452
   62    HA   VAL   7           HA       VAL   7   3.924   1.670   1.670
   63    HB   VAL   7           HB       VAL   7   5.106   2.660   2.660
   64   1HG1  VAL   7          HG11      VAL   7   3.063   0.623   0.623
   65   2HG1  VAL   7          HG12      VAL   7   4.193   0.193   0.193
   66   3HG1  VAL   7          HG13      VAL   7   3.172   1.622   1.622
   67   1HG2  VAL   7          HG22      VAL   7   6.757   1.566   1.566
   68   2HG2  VAL   7          HG23      VAL   7   6.465   0.632   0.632
   69   3HG2  VAL   7          HG21      VAL   7   5.716   0.143   0.143
   70    H    GLU   8           HN       GLU   8   4.311   4.907   4.907
   71    HA   GLU   8           HA       GLU   8   1.733   5.179   5.179
   72   1HB   GLU   8           HB1      GLU   8   3.943   6.854   6.854
   73   2HB   GLU   8           HB2      GLU   8   2.589   7.637   7.637
   74   1HG   GLU   8           HG1      GLU   8   1.715   6.619   6.619
   75   2HG   GLU   8           HG2      GLU   8   3.153   7.616   7.616
   76    H    GLN   9           HN       GLN   9   2.780   6.365   6.365
   77    HA   GLN   9           HA       GLN   9   0.207   7.035   7.035
   78   1HB   GLN   9           HB1      GLN   9   1.189   6.747   6.747
   79   2HB   GLN   9           HB2      GLN   9   2.223   7.694   7.694
   80   1HG   GLN   9           HG1      GLN   9   3.827   6.051   6.051
   81   2HG   GLN   9           HG2      GLN   9   2.646   4.746   4.746
   82   1HE2  GLN   9          HE22      GLN   9   2.886   4.515   4.515
   83   2HE2  GLN   9          HE21      GLN   9   2.113   3.962   3.962
   84    H    GLU  10           HN       GLU  10   1.698   3.928   3.928
   85    HA   GLU  10           HA       GLU  10   0.036   2.450   2.450
   86   1HB   GLU  10           HB1      GLU  10   2.246   1.818   1.818
   87   2HB   GLU  10           HB2      GLU  10   1.022   1.118   1.118
   88   1HG   GLU  10           HG1      GLU  10   0.052   0.071   0.071
   89   2HG   GLU  10           HG2      GLU  10   1.616   0.461   0.461
   90    H    LEU  11           HN       LEU  11  -0.084   2.590   2.590
   91    HA   LEU  11           HA       LEU  11  -2.781   1.551   1.551
   92   1HB   LEU  11           HB1      LEU  11  -2.654   1.888   1.888
   93   2HB   LEU  11           HB2      LEU  11  -1.276   0.973   0.973
   94    HG   LEU  11           HG       LEU  11  -0.702   3.708   3.708
   95   1HD1  LEU  11          HD12      LEU  11  -1.860   2.970   2.970
   96   2HD1  LEU  11          HD13      LEU  11  -0.702   4.288   4.288
   97   3HD1  LEU  11          HD11      LEU  11  -2.254   4.361   4.361
   98   1HD2  LEU  11          HD21      LEU  11   0.708   1.540   1.540
   99   2HD2  LEU  11          HD22      LEU  11   1.283   3.120   3.120
  100   3HD2  LEU  11          HD23      LEU  11   0.460   2.050   2.050
  101    H    GLN  12           HN       GLN  12  -1.712   4.470   4.470
  102    HA   GLN  12           HA       GLN  12  -3.333   6.272   6.272
  103   1HB   GLN  12           HB1      GLN  12  -1.433   7.018   7.018
  104   2HB   GLN  12           HB2      GLN  12  -2.352   6.571   6.571
  105   1HG   GLN  12           HG1      GLN  12  -4.170   8.145   8.145
  106   2HG   GLN  12           HG2      GLN  12  -3.046   8.700   8.700
  107   1HE2  GLN  12          HE22      GLN  12  -2.550  11.025  11.025
  108   2HE2  GLN  12          HE21      GLN  12  -3.737  10.705  10.705
  109    H    ALA  13           HN       ALA  13  -3.828   5.230   5.230
  110    HA   ALA  13           HA       ALA  13  -6.633   5.985   5.985
  111   1HB   ALA  13           HB3      ALA  13  -4.701   5.089   5.089
  112   2HB   ALA  13           HB1      ALA  13  -6.290   4.358   4.358
  113   3HB   ALA  13           HB2      ALA  13  -6.123   6.114   6.114
  114    H    LEU  14           HN       LEU  14  -4.849   3.181   3.181
  115    HA   LEU  14           HA       LEU  14  -6.837   1.177   1.177
  116   1HB   LEU  14           HB1      LEU  14  -4.263   1.093   1.093
  117   2HB   LEU  14           HB2      LEU  14  -5.112   0.811   0.811
  118    HG   LEU  14           HG       LEU  14  -4.602  -1.304  -1.304
  119   1HD1  LEU  14          HD12      LEU  14  -6.840  -0.665  -0.665
  120   2HD1  LEU  14          HD13      LEU  14  -7.562  -1.082  -1.082
  121   3HD1  LEU  14          HD11      LEU  14  -6.572  -2.263  -2.263
  122   1HD2  LEU  14          HD23      LEU  14  -5.390   0.191   0.191
  123   2HD2  LEU  14          HD21      LEU  14  -5.071  -1.543  -1.543
  124   3HD2  LEU  14          HD22      LEU  14  -6.716  -0.946  -0.946
  125    H    GLU  15           HN       GLU  15  -6.208   3.250   3.250
  126    HA   GLU  15           HA       GLU  15  -8.536   2.076   2.076
  127   1HB   GLU  15           HB1      GLU  15  -6.442   2.626   2.626
  128   2HB   GLU  15           HB2      GLU  15  -6.696   4.328   4.328
  129   1HG   GLU  15           HG1      GLU  15  -9.149   3.603   3.603
  130   2HG   GLU  15           HG2      GLU  15  -8.051   2.628   2.628
  131    H    ALA  16           HN       ALA  16  -7.500   5.192   5.192
  132    HA   ALA  16           HA       ALA  16  -9.765   6.729   6.729
  133   1HB   ALA  16           HB3      ALA  16  -7.509   7.245   7.245
  134   2HB   ALA  16           HB1      ALA  16  -8.668   7.141   7.141
  135   3HB   ALA  16           HB2      ALA  16  -8.917   8.306   8.306
  136    H    ARG  17           HN       ARG  17  -9.225   4.754   4.754
  137    HA   ARG  17           HA       ARG  17 -12.187   4.524   4.524
  138   1HB   ARG  17           HB1      ARG  17 -10.428   4.847   4.847
  139   2HB   ARG  17           HB2      ARG  17 -12.178   5.038   5.038
  140   1HG   ARG  17           HG1      ARG  17 -11.924   7.071   7.071
  141   2HG   ARG  17           HG2      ARG  17 -10.181   6.829   6.829
  142   1HD   ARG  17           HD1      ARG  17 -10.864   6.731   6.731
  143   2HD   ARG  17           HD2      ARG  17 -11.648   8.153   8.153
  144    HE   ARG  17           HE       ARG  17  -8.707   7.635   7.635
  145   1HH1  ARG  17          HH21      ARG  17 -11.052   9.611   9.611
  146   2HH1  ARG  17          HH22      ARG  17 -10.341  11.107  11.107
  147   1HH2  ARG  17          HH11      ARG  17  -7.955   9.594   9.594
  148   2HH2  ARG  17          HH12      ARG  17  -8.586  11.097  11.097
  149    H    GLY  18           HN       GLY  18 -11.305   2.449   2.449
  150   1HA   GLY  18           HA1      GLY  18 -10.181   0.525   0.525
  151   2HA   GLY  18           HA2      GLY  18 -10.283   0.264   0.264
  152    H    THR  19           HN       THR  19 -13.071   1.613   1.613
  153    HA   THR  19           HA       THR  19 -15.270   0.741   0.741
  154    HB   THR  19           HB       THR  19 -14.576   0.163   0.163
  155    HG1  THR  19           HG1      THR  19 -16.370  -1.084  -1.084
  156   1HG2  THR  19          HG23      THR  19 -13.246  -2.237  -2.237
  157   2HG2  THR  19          HG21      THR  19 -13.401  -1.989  -1.989
  158   3HG2  THR  19          HG22      THR  19 -12.431  -0.878  -0.878
  159    H    ASP  20           HN       ASP  20 -15.037   0.241   0.241
  160    HA   ASP  20           HA       ASP  20 -15.671  -1.266  -1.266
  161   1HB   ASP  20           HB1      ASP  20 -16.658  -2.483  -2.483
  162   2HB   ASP  20           HB2      ASP  20 -15.486  -3.685  -3.685
  163    H    SER  21           HN       SER  21 -13.096  -0.531  -0.531
  164    HA   SER  21           HA       SER  21 -11.592  -3.066  -3.066
  165   1HB   SER  21           HB1      SER  21 -10.682  -0.377  -0.377
  166   2HB   SER  21           HB2      SER  21  -9.542  -1.582  -1.582
  167    HG   SER  21           HG       SER  21  -9.934  -1.705  -1.705
  168    H    ASN  22           HN       ASN  22 -13.225  -1.271  -1.271
  169    HA   ASN  22           HA       ASN  22 -11.147  -0.279  -0.279
  170   1HB   ASN  22           HB1      ASN  22 -12.999   0.525   0.525
  171   2HB   ASN  22           HB2      ASN  22 -13.301   0.944   0.944
  172   1HD2  ASN  22          HD22      ASN  22 -16.343  -0.814  -0.814
  173   2HD2  ASN  22          HD21      ASN  22 -15.375   0.418   0.418
  174    H    ALA  23           HN       ALA  23 -11.902  -3.223  -3.223
  175    HA   ALA  23           HA       ALA  23 -11.922  -4.157  -4.157
  176   1HB   ALA  23           HB3      ALA  23 -13.998  -4.645  -4.645
  177   2HB   ALA  23           HB1      ALA  23 -12.953  -5.807  -5.807
  178   3HB   ALA  23           HB2      ALA  23 -13.293  -5.986  -5.986
  179    H    GLU  24           HN       GLU  24 -10.889  -4.946  -4.946
  180    HA   GLU  24           HA       GLU  24  -9.015  -6.966  -6.966
  181   1HB   GLU  24           HB1      GLU  24  -8.286  -7.013  -7.013
  182   2HB   GLU  24           HB2      GLU  24 -10.047  -7.047  -7.047
  183   1HG   GLU  24           HG1      GLU  24  -9.516  -4.342  -4.342
  184   2HG   GLU  24           HG2      GLU  24  -8.268  -4.985  -4.985
  185    H    LEU  25           HN       LEU  25  -8.963  -3.702  -3.702
  186    HA   LEU  25           HA       LEU  25  -6.424  -2.850  -2.850
  187   1HB   LEU  25           HB1      LEU  25  -8.388  -1.973  -1.973
  188   2HB   LEU  25           HB2      LEU  25  -6.728  -1.567  -1.567
  189    HG   LEU  25           HG       LEU  25  -7.426  -1.087  -1.087
  190   1HD1  LEU  25          HD12      LEU  25  -9.336  -0.330  -0.330
  191   2HD1  LEU  25          HD13      LEU  25  -8.346   1.120   1.120
  192   3HD1  LEU  25          HD11      LEU  25  -9.108   0.404   0.404
  193   1HD2  LEU  25          HD21      LEU  25  -5.636  -0.117  -0.117
  194   2HD2  LEU  25          HD22      LEU  25  -5.483   0.017   0.017
  195   3HD2  LEU  25          HD23      LEU  25  -6.416   1.215   1.215
  196    H    ARG  26           HN       ARG  26  -7.253  -5.074  -5.074
  197    HA   ARG  26           HA       ARG  26  -4.866  -4.807  -4.807
  198   1HB   ARG  26           HB1      ARG  26  -7.196  -6.513  -6.513
  199   2HB   ARG  26           HB2      ARG  26  -5.743  -7.493  -7.493
  200   1HG   ARG  26           HG1      ARG  26  -6.123  -6.941  -6.941
  201   2HG   ARG  26           HG2      ARG  26  -5.155  -5.542  -5.542
  202   1HD   ARG  26           HD1      ARG  26  -7.714  -4.805  -4.805
  203   2HD   ARG  26           HD2      ARG  26  -7.992  -5.692  -5.692
  204    HE   ARG  26           HE       ARG  26  -6.217  -4.117  -4.117
  205   1HH1  ARG  26          HH11      ARG  26  -8.798  -3.320  -3.320
  206   2HH1  ARG  26          HH12      ARG  26  -8.436  -1.628  -1.628
  207   1HH2  ARG  26          HH21      ARG  26  -5.456  -1.931  -1.931
  208   2HH2  ARG  26          HH22      ARG  26  -6.543  -0.842  -0.842
  209    H    ALA  27           HN       ALA  27  -5.763  -7.131  -7.131
  210    HA   ALA  27           HA       ALA  27  -3.353  -8.579  -8.579
  211   1HB   ALA  27           HB2      ALA  27  -5.368  -7.861  -7.861
  212   2HB   ALA  27           HB3      ALA  27  -3.935  -8.809  -8.809
  213   3HB   ALA  27           HB1      ALA  27  -5.099  -9.420  -9.420
  214    H    MET  28           HN       MET  28  -4.040  -5.342  -5.342
  215    HA   MET  28           HA       MET  28  -1.811  -5.066  -5.066
  216   1HB   MET  28           HB1      MET  28  -3.933  -3.475  -3.475
  217   2HB   MET  28           HB2      MET  28  -2.572  -2.647  -2.647
  218   1HG   MET  28           HG1      MET  28  -2.263  -1.715  -1.715
  219   2HG   MET  28           HG2      MET  28  -1.557  -3.273  -3.273
  220   1HE   MET  28           HE1      MET  28  -4.130  -0.904  -0.904
  221   2HE   MET  28           HE2      MET  28  -4.737  -0.942  -0.942
  222   3HE   MET  28           HE3      MET  28  -5.664  -1.706  -1.706
  223    H    GLU  29           HN       GLU  29  -2.186  -4.453  -4.453
  224    HA   GLU  29           HA       GLU  29   0.305  -3.249  -3.249
  225   1HB   GLU  29           HB1      GLU  29  -1.776  -4.517  -4.517
  226   2HB   GLU  29           HB2      GLU  29  -0.209  -5.061  -5.061
  227   1HG   GLU  29           HG1      GLU  29   0.429  -2.933  -2.933
  228   2HG   GLU  29           HG2      GLU  29  -0.559  -2.147  -2.147
  229    H    ALA  30           HN       ALA  30  -0.491  -6.686  -6.686
  230    HA   ALA  30           HA       ALA  30   2.051  -7.713  -7.713
  231   1HB   ALA  30           HB3      ALA  30  -0.147  -8.765  -8.765
  232   2HB   ALA  30           HB1      ALA  30   1.321  -9.690  -9.690
  233   3HB   ALA  30           HB2      ALA  30   0.250  -9.256  -9.256
  234    H    LYS  31           HN       LYS  31   0.750  -7.322  -7.322
  235    HA   LYS  31           HA       LYS  31   3.307  -7.735  -7.735
  236   1HB   LYS  31           HB1      LYS  31   0.671  -6.636  -6.636
  237   2HB   LYS  31           HB2      LYS  31   2.090  -6.636  -6.636
  238   1HG   LYS  31           HG1      LYS  31   2.111  -8.930  -8.930
  239   2HG   LYS  31           HG2      LYS  31   1.466  -9.174  -9.174
  240   1HD   LYS  31           HD1      LYS  31  -0.734  -8.206  -8.206
  241   2HD   LYS  31           HD2      LYS  31  -0.035  -8.418  -8.418
  242   1HE   LYS  31           HE1      LYS  31  -1.282 -10.415 -10.415
  243   2HE   LYS  31           HE2      LYS  31   0.415 -10.844 -10.844
  244   1HZ   LYS  31           HZ2      LYS  31  -1.186  -9.884  -9.884
  245   2HZ   LYS  31           HZ3      LYS  31  -1.291 -11.508 -11.508
  246   3HZ   LYS  31           HZ1      LYS  31   0.200 -10.867 -10.867
  247    H    LEU  32           HN       LEU  32   2.198  -5.128  -5.128
  248    HA   LEU  32           HA       LEU  32   3.324  -2.985  -2.985
  249   1HB   LEU  32           HB1      LEU  32   1.529  -2.759  -2.759
  250   2HB   LEU  32           HB2      LEU  32   2.835  -2.921  -2.921
  251    HG   LEU  32           HG       LEU  32   3.223  -0.956  -0.956
  252   1HD1  LEU  32          HD12      LEU  32   0.954  -0.895  -0.895
  253   2HD1  LEU  32          HD13      LEU  32   1.989   0.520   0.520
  254   3HD1  LEU  32          HD11      LEU  32   1.298   0.137   0.137
  255   1HD2  LEU  32          HD21      LEU  32   4.671  -1.635  -1.635
  256   2HD2  LEU  32          HD22      LEU  32   4.696  -0.008  -0.008
  257   3HD2  LEU  32          HD23      LEU  32   3.677  -0.364  -0.364
  258    H    LYS  33           HN       LYS  33   4.359  -3.959  -3.959
  259    HA   LYS  33           HA       LYS  33   7.005  -2.936  -2.936
  260   1HB   LYS  33           HB1      LYS  33   5.507  -4.245  -4.245
  261   2HB   LYS  33           HB2      LYS  33   7.159  -4.859  -4.859
  262   1HG   LYS  33           HG1      LYS  33   7.431  -2.099  -2.099
  263   2HG   LYS  33           HG2      LYS  33   6.193  -2.257  -2.257
  264   1HD   LYS  33           HD1      LYS  33   7.948  -2.511  -2.511
  265   2HD   LYS  33           HD2      LYS  33   8.032  -4.151  -4.151
  266   1HE   LYS  33           HE1      LYS  33   9.387  -2.015  -2.015
  267   2HE   LYS  33           HE2      LYS  33  10.138  -2.472  -2.472
  268   1HZ   LYS  33           HZ3      LYS  33   9.245  -4.615  -4.615
  269   2HZ   LYS  33           HZ1      LYS  33  10.639  -3.759  -3.759
  270   3HZ   LYS  33           HZ2      LYS  33  10.578  -4.561  -4.561
  271    H    ALA  34           HN       ALA  34   5.562  -5.738  -5.738
  272    HA   ALA  34           HA       ALA  34   7.999  -7.375  -7.375
  273   1HB   ALA  34           HB2      ALA  34   5.173  -7.746  -7.746
  274   2HB   ALA  34           HB3      ALA  34   6.364  -8.680  -8.680
  275   3HB   ALA  34           HB1      ALA  34   6.254  -8.852  -8.852
  276    H    GLU  35           HN       GLU  35   6.067  -5.639  -5.639
  277    HA   GLU  35           HA       GLU  35   7.980  -6.282  -6.282
  278   1HB   GLU  35           HB1      GLU  35   5.334  -5.580  -5.580
  279   2HB   GLU  35           HB2      GLU  35   6.096  -4.054  -4.054
  280   1HG   GLU  35           HG1      GLU  35   7.428  -5.377  -5.377
  281   2HG   GLU  35           HG2      GLU  35   6.354  -6.734  -6.734
  282    H    ILE  36           HN       ILE  36   7.415  -3.635  -3.635
  283    HA   ILE  36           HA       ILE  36   9.102  -1.757  -1.757
  284    HB   ILE  36           HB       ILE  36   7.221  -1.195  -1.195
  285   1HG1  ILE  36          HG11      ILE  36   9.911   0.095   0.095
  286   2HG1  ILE  36          HG12      ILE  36   8.953   0.413   0.413
  287   1HG2  ILE  36          HG22      ILE  36   8.354  -2.838  -2.838
  288   2HG2  ILE  36          HG23      ILE  36   9.350  -1.437  -1.437
  289   3HG2  ILE  36          HG21      ILE  36   7.599  -1.356  -1.356
  290   1HD1  ILE  36          HD13      ILE  36   7.028   0.936   0.936
  291   2HD1  ILE  36          HD11      ILE  36   8.321   1.083   1.083
  292   3HD1  ILE  36          HD12      ILE  36   8.298   2.140   2.140
  293    H    GLN  37           HN       GLN  37   9.535  -4.081  -4.081
  294    HA   GLN  37           HA       GLN  37  12.010  -3.305  -3.305
  295   1HB   GLN  37           HB1      GLN  37  10.823  -5.236  -5.236
  296   2HB   GLN  37           HB2      GLN  37  11.030  -6.106  -6.106
  297   1HG   GLN  37           HG1      GLN  37  13.453  -6.127  -6.127
  298   2HG   GLN  37           HG2      GLN  37  13.309  -5.141  -5.141
  299   1HE2  GLN  37          HE22      GLN  37  11.940  -7.881  -7.881
  300   2HE2  GLN  37          HE21      GLN  37  11.784  -6.202  -6.202
  301    H    LYS  38           HN       LYS  38  11.313  -4.854  -4.854
  302    HA   LYS  38           HA       LYS  38  13.542  -3.896  -3.896
  303   1HB   LYS  38           HB1      LYS  38  14.329  -5.851  -5.851
  304   2HB   LYS  38           HB2      LYS  38  14.509  -6.576  -6.576
  305   1HG   LYS  38           HG1      LYS  38  15.449  -3.775  -3.775
  306   2HG   LYS  38           HG2      LYS  38  16.387  -4.973  -4.973
  307   1HD   LYS  38           HD1      LYS  38  16.244  -6.326  -6.326
  308   2HD   LYS  38           HD2      LYS  38  15.927  -4.738  -4.738
  309   1HE   LYS  38           HE1      LYS  38  18.210  -4.623  -4.623
  310   2HE   LYS  38           HE2      LYS  38  18.040  -4.148  -4.148
  311   1HZ   LYS  38           HZ3      LYS  38  17.996  -6.981  -6.981
  312   2HZ   LYS  38           HZ1      LYS  38  19.422  -6.310  -6.310
  313   3HZ   LYS  38           HZ2      LYS  38  18.989  -6.021  -6.021
  314   1HN   NH2  39          1HN       NH2  39  10.793  -5.748  -5.748
  315   2HN   NH2  39          2HN       NH2  39  11.302  -4.178  -4.178

  Start of MODEL   16
    1   1H2   SIN   0          1H2       SIN   0 -13.166   2.272   2.272
    2   2H2   SIN   0          2H2       SIN   0 -14.012   2.413   2.413
    3   1H3   SIN   0          1H3       SIN   0 -14.625   4.506   4.506
    4   2H3   SIN   0          2H3       SIN   0 -15.515   3.873   3.873
    5    H    ASP   1           HN       ASP   1 -14.821   5.886   5.886
    6    HA   ASP   1           HA       ASP   1 -12.615   5.517   5.517
    7   1HB   ASP   1           HB1      ASP   1 -12.968   7.811   7.811
    8   2HB   ASP   1           HB2      ASP   1 -14.540   7.076   7.076
    9    H    TRP   2           HN       TRP   2 -12.790   7.076   7.076
   10    HA   TRP   2           HA       TRP   2 -10.369   8.506   8.506
   11   1HB   TRP   2           HB1      TRP   2 -10.455   8.485   8.485
   12   2HB   TRP   2           HB2      TRP   2 -12.118   8.585   8.585
   13    HD1  TRP   2           HD1      TRP   2 -13.489   6.270   6.270
   14    HE1  TRP   2           HE1      TRP   2 -13.358   4.185   4.185
   15    HE3  TRP   2           HE3      TRP   2  -8.925   7.042   7.042
   16    HZ2  TRP   2           HZ2      TRP   2 -11.521   3.006   3.006
   17    HZ3  TRP   2           HZ3      TRP   2  -7.998   5.434   5.434
   18    HH2  TRP   2           HH2      TRP   2  -9.292   3.418   3.418
   19    H    LEU   3           HN       LEU   3 -11.011   5.101   5.101
   20    HA   LEU   3           HA       LEU   3  -8.574   4.285   4.285
   21   1HB   LEU   3           HB1      LEU   3 -10.661   2.978   2.978
   22   2HB   LEU   3           HB2      LEU   3  -9.106   2.152   2.152
   23    HG   LEU   3           HG       LEU   3  -9.694   3.035   3.035
   24   1HD1  LEU   3          HD12      LEU   3 -12.066   3.245   3.245
   25   2HD1  LEU   3          HD13      LEU   3 -12.060   1.482   1.482
   26   3HD1  LEU   3          HD11      LEU   3 -11.904   2.403   2.403
   27   1HD2  LEU   3          HD21      LEU   3  -8.563   0.916   0.916
   28   2HD2  LEU   3          HD22      LEU   3  -9.666   0.691   0.691
   29   3HD2  LEU   3          HD23      LEU   3 -10.179   0.267   0.267
   30    H    LYS   4           HN       LYS   4  -9.211   5.331   5.331
   31    HA   LYS   4           HA       LYS   4  -6.888   4.119   4.119
   32   1HB   LYS   4           HB1      LYS   4  -9.027   5.474   5.474
   33   2HB   LYS   4           HB2      LYS   4  -7.797   6.736   6.736
   34   1HG   LYS   4           HG1      LYS   4  -6.495   5.570   5.570
   35   2HG   LYS   4           HG2      LYS   4  -7.083   3.998   3.998
   36   1HD   LYS   4           HD1      LYS   4  -8.339   4.090   4.090
   37   2HD   LYS   4           HD2      LYS   4  -9.392   5.121   5.121
   38   1HE   LYS   4           HE1      LYS   4  -7.572   6.952   6.952
   39   2HE   LYS   4           HE2      LYS   4  -7.544   5.839   5.839
   40   1HZ   LYS   4           HZ3      LYS   4 -10.147   6.014   6.014
   41   2HZ   LYS   4           HZ1      LYS   4  -9.702   7.540   7.540
   42   3HZ   LYS   4           HZ2      LYS   4  -9.298   7.094   7.094
   43    H    ALA   5           HN       ALA   5  -7.474   7.223   7.223
   44    HA   ALA   5           HA       ALA   5  -4.748   8.166   8.166
   45   1HB   ALA   5           HB2      ALA   5  -7.211   9.308   9.308
   46   2HB   ALA   5           HB3      ALA   5  -6.066   9.555   9.555
   47   3HB   ALA   5           HB1      ALA   5  -5.688  10.144  10.144
   48    H    ARG   6           HN       ARG   6  -6.495   6.499   6.499
   49    HA   ARG   6           HA       ARG   6  -4.382   6.846   6.846
   50   1HB   ARG   6           HB1      ARG   6  -5.937   6.131   6.131
   51   2HB   ARG   6           HB2      ARG   6  -7.072   6.291   6.291
   52   1HG   ARG   6           HG1      ARG   6  -7.519   4.115   4.115
   53   2HG   ARG   6           HG2      ARG   6  -6.173   3.818   3.818
   54   1HD   ARG   6           HD1      ARG   6  -6.363   3.395   3.395
   55   2HD   ARG   6           HD2      ARG   6  -5.223   2.714   2.714
   56    HE   ARG   6           HE       ARG   6  -4.266   5.259   5.259
   57   1HH1  ARG   6          HH21      ARG   6  -5.644   5.380   5.380
   58   2HH1  ARG   6          HH22      ARG   6  -4.426   4.766   4.766
   59   1HH2  ARG   6          HH11      ARG   6  -2.526   3.370   3.370
   60   2HH2  ARG   6          HH12      ARG   6  -2.660   3.626   3.626
   61    H    VAL   7           HN       VAL   7  -5.030   4.678   4.678
   62    HA   VAL   7           HA       VAL   7  -3.438   2.489   2.489
   63    HB   VAL   7           HB       VAL   7  -4.623   3.012   3.012
   64   1HG1  VAL   7          HG13      VAL   7  -2.887   0.759   0.759
   65   2HG1  VAL   7          HG11      VAL   7  -3.998   0.536   0.536
   66   3HG1  VAL   7          HG12      VAL   7  -2.689   1.712   1.712
   67   1HG2  VAL   7          HG21      VAL   7  -5.831   2.183   2.183
   68   2HG2  VAL   7          HG22      VAL   7  -6.386   1.741   1.741
   69   3HG2  VAL   7          HG23      VAL   7  -5.354   0.638   0.638
   70    H    GLU   8           HN       GLU   8  -3.010   5.168   5.168
   71    HA   GLU   8           HA       GLU   8  -0.480   4.428   4.428
   72   1HB   GLU   8           HB1      GLU   8  -2.095   6.443   6.443
   73   2HB   GLU   8           HB2      GLU   8  -1.103   7.299   7.299
   74   1HG   GLU   8           HG1      GLU   8   0.152   7.718   7.718
   75   2HG   GLU   8           HG2      GLU   8   0.864   6.170   6.170
   76    H    GLN   9           HN       GLN   9  -1.392   5.664   5.664
   77    HA   GLN   9           HA       GLN   9   1.151   6.690   6.690
   78   1HB   GLN   9           HB1      GLN   9  -1.198   6.893   6.893
   79   2HB   GLN   9           HB2      GLN   9  -0.749   5.382   5.382
   80   1HG   GLN   9           HG1      GLN   9   1.045   6.365   6.365
   81   2HG   GLN   9           HG2      GLN   9   1.184   7.685   7.685
   82   1HE2  GLN   9          HE22      GLN   9  -0.428   9.218   9.218
   83   2HE2  GLN   9          HE21      GLN   9   1.109   8.651   8.651
   84    H    GLU  10           HN       GLU  10  -0.381   3.598   3.598
   85    HA   GLU  10           HA       GLU  10   1.888   2.433   2.433
   86   1HB   GLU  10           HB1      GLU  10  -0.452   1.226   1.226
   87   2HB   GLU  10           HB2      GLU  10   0.813   0.216   0.216
   88   1HG   GLU  10           HG1      GLU  10  -0.077   2.250   2.250
   89   2HG   GLU  10           HG2      GLU  10  -1.427   1.257   1.257
   90    H    LEU  11           HN       LEU  11   0.899   2.384   2.384
   91    HA   LEU  11           HA       LEU  11   2.901   0.669   0.669
   92   1HB   LEU  11           HB1      LEU  11   1.558   3.081   3.081
   93   2HB   LEU  11           HB2      LEU  11   2.668   2.044   2.044
   94    HG   LEU  11           HG       LEU  11   0.453   0.732   0.732
   95   1HD1  LEU  11          HD13      LEU  11   0.131   2.458   2.458
   96   2HD1  LEU  11          HD11      LEU  11  -0.893   1.039   1.039
   97   3HD1  LEU  11          HD12      LEU  11  -0.913   2.336   2.336
   98   1HD2  LEU  11          HD22      LEU  11   2.396   0.081   0.081
   99   2HD2  LEU  11          HD23      LEU  11   1.276  -0.998  -0.998
  100   3HD2  LEU  11          HD21      LEU  11   0.780  -0.187  -0.187
  101    H    GLN  12           HN       GLN  12   3.033   4.234   4.234
  102    HA   GLN  12           HA       GLN  12   5.746   4.480   4.480
  103   1HB   GLN  12           HB1      GLN  12   3.793   6.263   6.263
  104   2HB   GLN  12           HB2      GLN  12   4.782   6.385   6.385
  105   1HG   GLN  12           HG1      GLN  12   6.744   6.924   6.924
  106   2HG   GLN  12           HG2      GLN  12   5.905   6.566   6.566
  107   1HE2  GLN  12          HE22      GLN  12   5.470  10.209  10.209
  108   2HE2  GLN  12          HE21      GLN  12   6.451   9.012   9.012
  109    H    ALA  13           HN       ALA  13   4.356   3.416   3.416
  110    HA   ALA  13           HA       ALA  13   6.653   3.951   3.951
  111   1HB   ALA  13           HB2      ALA  13   4.038   3.057   3.057
  112   2HB   ALA  13           HB3      ALA  13   5.035   1.669   1.669
  113   3HB   ALA  13           HB1      ALA  13   5.276   3.217   3.217
  114    H    LEU  14           HN       LEU  14   5.672   1.282   1.282
  115    HA   LEU  14           HA       LEU  14   7.741  -0.516  -0.516
  116   1HB   LEU  14           HB1      LEU  14   5.511  -1.150  -1.150
  117   2HB   LEU  14           HB2      LEU  14   6.356  -0.781  -0.781
  118    HG   LEU  14           HG       LEU  14   8.014  -2.417  -2.417
  119   1HD1  LEU  14          HD12      LEU  14   5.601  -3.078  -3.078
  120   2HD1  LEU  14          HD13      LEU  14   5.490  -3.793  -3.793
  121   3HD1  LEU  14          HD11      LEU  14   6.708  -4.369  -4.369
  122   1HD2  LEU  14          HD21      LEU  14   7.467  -2.016  -2.016
  123   2HD2  LEU  14          HD22      LEU  14   8.638  -3.143  -3.143
  124   3HD2  LEU  14          HD23      LEU  14   7.001  -3.686  -3.686
  125    H    GLU  15           HN       GLU  15   7.311   1.464   1.464
  126    HA   GLU  15           HA       GLU  15   9.854   0.753   0.753
  127   1HB   GLU  15           HB1      GLU  15   8.191   1.700   1.700
  128   2HB   GLU  15           HB2      GLU  15   8.017   3.123   3.123
  129   1HG   GLU  15           HG1      GLU  15   9.952   4.088   4.088
  130   2HG   GLU  15           HG2      GLU  15  10.748   2.534   2.534
  131    H    ALA  16           HN       ALA  16   8.870   3.079   3.079
  132    HA   ALA  16           HA       ALA  16  11.207   4.759   4.759
  133   1HB   ALA  16           HB2      ALA  16   8.939   4.362   4.362
  134   2HB   ALA  16           HB3      ALA  16  10.413   5.005   5.005
  135   3HB   ALA  16           HB1      ALA  16   9.642   5.858   5.858
  136    H    ARG  17           HN       ARG  17  10.798   1.551   1.551
  137    HA   ARG  17           HA       ARG  17  13.502   1.597   1.597
  138   1HB   ARG  17           HB1      ARG  17  10.964   0.922   0.922
  139   2HB   ARG  17           HB2      ARG  17  12.340  -0.142  -0.142
  140   1HG   ARG  17           HG1      ARG  17  13.616   1.566   1.566
  141   2HG   ARG  17           HG2      ARG  17  12.727   2.836   2.836
  142   1HD   ARG  17           HD1      ARG  17  10.928   1.339   1.339
  143   2HD   ARG  17           HD2      ARG  17  12.304   1.904   1.904
  144    HE   ARG  17           HE       ARG  17  11.758   4.215   4.215
  145   1HH1  ARG  17          HH21      ARG  17   9.576   2.246   2.246
  146   2HH1  ARG  17          HH22      ARG  17   8.151   3.046   3.046
  147   1HH2  ARG  17          HH11      ARG  17   9.857   5.017   5.017
  148   2HH2  ARG  17          HH12      ARG  17   8.310   4.614   4.614
  149    H    GLY  18           HN       GLY  18  13.283   0.657   0.657
  150   1HA   GLY  18           HA1      GLY  18  13.537  -2.266  -2.266
  151   2HA   GLY  18           HA2      GLY  18  12.337  -1.720  -1.720
  152    H    THR  19           HN       THR  19  15.247  -2.997  -2.997
  153    HA   THR  19           HA       THR  19  16.342  -1.138  -1.138
  154    HB   THR  19           HB       THR  19  18.534  -2.155  -2.155
  155    HG1  THR  19           HG1      THR  19  17.714  -4.206  -4.206
  156   1HG2  THR  19          HG23      THR  19  16.892  -0.857  -0.857
  157   2HG2  THR  19          HG21      THR  19  18.400  -1.594  -1.594
  158   3HG2  THR  19          HG22      THR  19  18.425  -0.348  -0.348
  159    H    ASP  20           HN       ASP  20  14.464  -3.744  -3.744
  160    HA   ASP  20           HA       ASP  20  15.364  -4.681  -4.681
  161   1HB   ASP  20           HB1      ASP  20  16.158  -6.079  -6.079
  162   2HB   ASP  20           HB2      ASP  20  14.947  -7.061  -7.061
  163    H    SER  21           HN       SER  21  13.122  -3.477  -3.477
  164    HA   SER  21           HA       SER  21  11.097  -5.374  -5.374
  165   1HB   SER  21           HB1      SER  21  11.386  -4.881  -4.881
  166   2HB   SER  21           HB2      SER  21   9.902  -4.084  -4.084
  167    HG   SER  21           HG       SER  21  10.071  -6.552  -6.552
  168    H    ASN  22           HN       ASN  22  12.268  -2.842  -2.842
  169    HA   ASN  22           HA       ASN  22  10.010  -0.939  -0.939
  170   1HB   ASN  22           HB1      ASN  22  12.615  -0.627  -0.627
  171   2HB   ASN  22           HB2      ASN  22  11.461   0.649   0.649
  172   1HD2  ASN  22          HD22      ASN  22  13.691   1.192   1.192
  173   2HD2  ASN  22          HD21      ASN  22  13.279   1.732   1.732
  174    H    ALA  23           HN       ALA  23  10.023  -3.578  -3.578
  175    HA   ALA  23           HA       ALA  23   9.144  -2.444  -2.444
  176   1HB   ALA  23           HB1      ALA  23  11.256  -4.175  -4.175
  177   2HB   ALA  23           HB2      ALA  23   9.927  -5.277  -5.277
  178   3HB   ALA  23           HB3      ALA  23  10.341  -3.995  -3.995
  179    H    GLU  24           HN       GLU  24   8.720  -5.072  -5.072
  180    HA   GLU  24           HA       GLU  24   6.417  -6.263  -6.263
  181   1HB   GLU  24           HB1      GLU  24   6.015  -7.199  -7.199
  182   2HB   GLU  24           HB2      GLU  24   7.766  -7.057  -7.057
  183   1HG   GLU  24           HG1      GLU  24   7.765  -5.009  -5.009
  184   2HG   GLU  24           HG2      GLU  24   6.001  -4.982  -4.982
  185    H    LEU  25           HN       LEU  25   6.806  -3.229  -3.229
  186    HA   LEU  25           HA       LEU  25   4.216  -2.714  -2.714
  187   1HB   LEU  25           HB1      LEU  25   6.133  -0.817  -0.817
  188   2HB   LEU  25           HB2      LEU  25   4.703  -0.308  -0.308
  189    HG   LEU  25           HG       LEU  25   6.294  -2.166  -2.166
  190   1HD1  LEU  25          HD12      LEU  25   7.973  -0.845  -0.845
  191   2HD1  LEU  25          HD13      LEU  25   7.735   0.420   0.420
  192   3HD1  LEU  25          HD11      LEU  25   8.367  -1.154  -1.154
  193   1HD2  LEU  25          HD22      LEU  25   4.560  -0.563  -0.563
  194   2HD2  LEU  25          HD23      LEU  25   6.106  -0.381  -0.381
  195   3HD2  LEU  25          HD21      LEU  25   5.636   0.769   0.769
  196    H    ARG  26           HN       ARG  26   5.462  -2.434  -2.434
  197    HA   ARG  26           HA       ARG  26   3.241  -1.257  -1.257
  198   1HB   ARG  26           HB1      ARG  26   4.977  -3.511  -3.511
  199   2HB   ARG  26           HB2      ARG  26   3.930  -2.486  -2.486
  200   1HG   ARG  26           HG1      ARG  26   6.060  -1.311  -1.311
  201   2HG   ARG  26           HG2      ARG  26   6.427  -1.835  -1.835
  202   1HD   ARG  26           HD1      ARG  26   5.725   0.216   0.216
  203   2HD   ARG  26           HD2      ARG  26   4.094  -0.351  -0.351
  204    HE   ARG  26           HE       ARG  26   4.130   1.302   1.302
  205   1HH1  ARG  26          HH21      ARG  26   5.324  -0.090  -0.090
  206   2HH1  ARG  26          HH22      ARG  26   6.852   0.679   0.679
  207   1HH2  ARG  26          HH11      ARG  26   6.916   2.246   2.246
  208   2HH2  ARG  26          HH12      ARG  26   7.753   2.002   2.002
  209    H    ALA  27           HN       ALA  27   3.800  -4.747  -4.747
  210    HA   ALA  27           HA       ALA  27   1.244  -5.571  -5.571
  211   1HB   ALA  27           HB1      ALA  27   3.068  -6.904  -6.904
  212   2HB   ALA  27           HB2      ALA  27   1.707  -7.684  -7.684
  213   3HB   ALA  27           HB3      ALA  27   3.103  -7.154  -7.154
  214    H    MET  28           HN       MET  28   2.344  -4.391  -4.391
  215    HA   MET  28           HA       MET  28   0.115  -5.227  -5.227
  216   1HB   MET  28           HB1      MET  28   2.150  -4.337  -4.337
  217   2HB   MET  28           HB2      MET  28   1.875  -2.770  -2.770
  218   1HG   MET  28           HG1      MET  28   0.564  -2.167  -2.167
  219   2HG   MET  28           HG2      MET  28  -0.516  -3.517  -3.517
  220   1HE   MET  28           HE2      MET  28   3.001  -3.101  -3.101
  221   2HE   MET  28           HE3      MET  28   2.943  -2.757  -2.757
  222   3HE   MET  28           HE1      MET  28   3.443  -4.355  -4.355
  223    H    GLU  29           HN       GLU  29   0.517  -2.628  -2.628
  224    HA   GLU  29           HA       GLU  29  -1.566  -0.890  -0.890
  225   1HB   GLU  29           HB1      GLU  29   0.065  -1.266  -1.266
  226   2HB   GLU  29           HB2      GLU  29  -1.598  -1.307  -1.307
  227   1HG   GLU  29           HG1      GLU  29  -1.925   0.897   0.897
  228   2HG   GLU  29           HG2      GLU  29  -1.090   0.796   0.796
  229    H    ALA  30           HN       ALA  30  -1.776  -3.780  -3.780
  230    HA   ALA  30           HA       ALA  30  -4.586  -3.683  -3.683
  231   1HB   ALA  30           HB2      ALA  30  -2.613  -5.976  -5.976
  232   2HB   ALA  30           HB3      ALA  30  -4.314  -6.190  -6.190
  233   3HB   ALA  30           HB1      ALA  30  -3.292  -5.148  -5.148
  234    H    LYS  31           HN       LYS  31  -2.627  -5.234  -5.234
  235    HA   LYS  31           HA       LYS  31  -4.706  -6.601  -6.601
  236   1HB   LYS  31           HB1      LYS  31  -1.976  -5.761  -5.761
  237   2HB   LYS  31           HB2      LYS  31  -3.001  -5.692  -5.692
  238   1HG   LYS  31           HG1      LYS  31  -1.908  -7.930  -7.930
  239   2HG   LYS  31           HG2      LYS  31  -3.670  -8.009  -8.009
  240   1HD   LYS  31           HD1      LYS  31  -3.740  -8.809  -8.809
  241   2HD   LYS  31           HD2      LYS  31  -2.714  -7.499  -7.499
  242   1HE   LYS  31           HE1      LYS  31  -1.251  -9.222  -9.222
  243   2HE   LYS  31           HE2      LYS  31  -0.866  -8.976  -8.976
  244   1HZ   LYS  31           HZ2      LYS  31  -3.057 -10.779 -10.779
  245   2HZ   LYS  31           HZ3      LYS  31  -1.448 -11.325 -11.325
  246   3HZ   LYS  31           HZ1      LYS  31  -2.161 -10.765 -10.765
  247    H    LEU  32           HN       LEU  32  -3.912  -3.199  -3.199
  248    HA   LEU  32           HA       LEU  32  -5.239  -2.352  -2.352
  249   1HB   LEU  32           HB1      LEU  32  -4.019  -1.120  -1.120
  250   2HB   LEU  32           HB2      LEU  32  -5.626  -0.415  -0.415
  251    HG   LEU  32           HG       LEU  32  -4.852  -0.431  -0.431
  252   1HD1  LEU  32          HD13      LEU  32  -2.494  -1.099  -1.099
  253   2HD1  LEU  32          HD11      LEU  32  -2.307   0.581   0.581
  254   3HD1  LEU  32          HD12      LEU  32  -2.633  -0.667  -0.667
  255   1HD2  LEU  32          HD22      LEU  32  -4.903   1.495   1.495
  256   2HD2  LEU  32          HD23      LEU  32  -5.392   1.705   1.705
  257   3HD2  LEU  32          HD21      LEU  32  -3.704   1.929   1.929
  258    H    LYS  33           HN       LYS  33  -6.468  -2.669  -2.669
  259    HA   LYS  33           HA       LYS  33  -9.124  -1.823  -1.823
  260   1HB   LYS  33           HB1      LYS  33  -7.896  -2.353  -2.353
  261   2HB   LYS  33           HB2      LYS  33  -8.585  -3.959  -3.959
  262   1HG   LYS  33           HG1      LYS  33 -10.823  -2.751  -2.751
  263   2HG   LYS  33           HG2      LYS  33 -10.036  -1.321  -1.321
  264   1HD   LYS  33           HD1      LYS  33 -11.273  -2.614  -2.614
  265   2HD   LYS  33           HD2      LYS  33  -9.544  -2.536  -2.536
  266   1HE   LYS  33           HE1      LYS  33  -9.196  -4.772  -4.772
  267   2HE   LYS  33           HE2      LYS  33 -10.786  -4.842  -4.842
  268   1HZ   LYS  33           HZ2      LYS  33 -11.758  -4.576  -4.576
  269   2HZ   LYS  33           HZ3      LYS  33 -10.198  -4.720  -4.720
  270   3HZ   LYS  33           HZ1      LYS  33 -10.880  -6.018  -6.018
  271    H    ALA  34           HN       ALA  34  -7.498  -4.864  -4.864
  272    HA   ALA  34           HA       ALA  34  -9.778  -6.558  -6.558
  273   1HB   ALA  34           HB1      ALA  34  -7.052  -6.878  -6.878
  274   2HB   ALA  34           HB2      ALA  34  -7.642  -7.101  -7.101
  275   3HB   ALA  34           HB3      ALA  34  -8.261  -8.115  -8.115
  276    H    GLU  35           HN       GLU  35  -8.439  -4.158  -4.158
  277    HA   GLU  35           HA       GLU  35 -10.150  -5.075  -5.075
  278   1HB   GLU  35           HB1      GLU  35  -7.720  -3.682  -3.682
  279   2HB   GLU  35           HB2      GLU  35  -8.894  -2.492  -2.492
  280   1HG   GLU  35           HG1      GLU  35  -9.207  -5.113  -5.113
  281   2HG   GLU  35           HG2      GLU  35  -7.632  -4.378  -4.378
  282    H    ILE  36           HN       ILE  36  -9.663  -1.881  -1.881
  283    HA   ILE  36           HA       ILE  36 -11.964  -0.617  -0.617
  284    HB   ILE  36           HB       ILE  36 -11.920   0.462   0.462
  285   1HG1  ILE  36          HG11      ILE  36  -9.140  -0.709  -0.709
  286   2HG1  ILE  36          HG12      ILE  36 -10.437  -1.535  -1.535
  287   1HG2  ILE  36          HG23      ILE  36 -10.414   0.813   0.813
  288   2HG2  ILE  36          HG21      ILE  36  -9.430   1.278   1.278
  289   3HG2  ILE  36          HG22      ILE  36 -10.999   2.038   2.038
  290   1HD1  ILE  36          HD12      ILE  36  -9.948   1.386   1.386
  291   2HD1  ILE  36          HD13      ILE  36  -8.902   0.190   0.190
  292   3HD1  ILE  36          HD11      ILE  36 -10.638   0.170   0.170
  293    H    GLN  37           HN       GLN  37 -11.753  -3.214  -3.214
  294    HA   GLN  37           HA       GLN  37 -14.073  -2.976  -2.976
  295   1HB   GLN  37           HB1      GLN  37 -12.343  -5.101  -5.101
  296   2HB   GLN  37           HB2      GLN  37 -13.999  -5.657  -5.657
  297   1HG   GLN  37           HG1      GLN  37 -14.313  -4.465  -4.465
  298   2HG   GLN  37           HG2      GLN  37 -12.607  -4.895  -4.895
  299   1HE2  GLN  37          HE22      GLN  37 -15.439  -7.864  -7.864
  300   2HE2  GLN  37          HE21      GLN  37 -15.859  -6.286  -6.286
  301    H    LYS  38           HN       LYS  38 -13.878  -4.336  -4.336
  302    HA   LYS  38           HA       LYS  38 -16.589  -4.904  -4.904
  303   1HB   LYS  38           HB1      LYS  38 -14.319  -4.770  -4.770
  304   2HB   LYS  38           HB2      LYS  38 -15.419  -3.594  -3.594
  305   1HG   LYS  38           HG1      LYS  38 -17.190  -5.540  -5.540
  306   2HG   LYS  38           HG2      LYS  38 -15.746  -6.554  -6.554
  307   1HD   LYS  38           HD1      LYS  38 -15.125  -5.708  -5.708
  308   2HD   LYS  38           HD2      LYS  38 -16.417  -4.509  -4.509
  309   1HE   LYS  38           HE1      LYS  38 -17.358  -7.257  -7.257
  310   2HE   LYS  38           HE2      LYS  38 -16.615  -7.019  -7.019
  311   1HZ   LYS  38           HZ1      LYS  38 -18.612  -5.122  -5.122
  312   2HZ   LYS  38           HZ2      LYS  38 -19.083  -6.521  -6.521
  313   3HZ   LYS  38           HZ3      LYS  38 -18.123  -5.348  -5.348
  314   1HN   NH2  39          1HN       NH2  39 -15.147  -1.476  -1.476
  315   2HN   NH2  39          2HN       NH2  39 -16.343  -1.160  -1.160

  Start of MODEL   17
    1   1H2   SIN   0          1H2       SIN   0  12.589  -5.298  -5.298
    2   2H2   SIN   0          2H2       SIN   0  12.629  -5.450  -5.450
    3   1H3   SIN   0          1H3       SIN   0  13.774  -3.520  -3.520
    4   2H3   SIN   0          2H3       SIN   0  15.088  -4.257  -4.257
    5    H    ASP   1           HN       ASP   1  15.607  -2.993  -2.993
    6    HA   ASP   1           HA       ASP   1  13.625  -3.010  -3.010
    7   1HB   ASP   1           HB1      ASP   1  15.452  -2.348  -2.348
    8   2HB   ASP   1           HB2      ASP   1  16.027  -3.581  -3.581
    9    H    TRP   2           HN       TRP   2  15.432  -0.348  -0.348
   10    HA   TRP   2           HA       TRP   2  14.459   1.768   1.768
   11   1HB   TRP   2           HB1      TRP   2  14.935   3.220   3.220
   12   2HB   TRP   2           HB2      TRP   2  16.154   1.943   1.943
   13    HD1  TRP   2           HD1      TRP   2  15.771  -0.095  -0.095
   14    HE1  TRP   2           HE1      TRP   2  14.670  -0.137  -0.137
   15    HE3  TRP   2           HE3      TRP   2  13.106   4.235   4.235
   16    HZ2  TRP   2           HZ2      TRP   2  12.864   1.478   1.478
   17    HZ3  TRP   2           HZ3      TRP   2  11.707   4.968   4.968
   18    HH2  TRP   2           HH2      TRP   2  11.582   3.594   3.594
   19    H    LEU   3           HN       LEU   3  12.764  -0.214  -0.214
   20    HA   LEU   3           HA       LEU   3  10.661   1.500   1.500
   21   1HB   LEU   3           HB1      LEU   3  10.828  -1.475  -1.475
   22   2HB   LEU   3           HB2      LEU   3   9.282  -0.731  -0.731
   23    HG   LEU   3           HG       LEU   3  10.295  -1.460  -1.460
   24   1HD1  LEU   3          HD11      LEU   3   9.272   0.918   0.918
   25   2HD1  LEU   3          HD12      LEU   3  10.936   1.481   1.481
   26   3HD1  LEU   3          HD13      LEU   3  10.196   0.544   0.544
   27   1HD2  LEU   3          HD21      LEU   3  12.724   0.076   0.076
   28   2HD2  LEU   3          HD22      LEU   3  12.605  -1.667  -1.667
   29   3HD2  LEU   3          HD23      LEU   3  12.551  -0.586  -0.586
   30    H    LYS   4           HN       LYS   4  10.925  -0.574  -0.574
   31    HA   LYS   4           HA       LYS   4   8.448  -0.157  -0.157
   32   1HB   LYS   4           HB1      LYS   4  11.083  -0.913  -0.913
   33   2HB   LYS   4           HB2      LYS   4  10.340   0.147   0.147
   34   1HG   LYS   4           HG1      LYS   4   9.507  -1.927  -1.927
   35   2HG   LYS   4           HG2      LYS   4   8.224  -1.380  -1.380
   36   1HD   LYS   4           HD1      LYS   4   8.587  -3.137  -3.137
   37   2HD   LYS   4           HD2      LYS   4  10.280  -2.676  -2.676
   38   1HE   LYS   4           HE1      LYS   4  10.710  -4.628  -4.628
   39   2HE   LYS   4           HE2      LYS   4  10.251  -3.736  -3.736
   40   1HZ   LYS   4           HZ3      LYS   4   7.889  -4.431  -4.431
   41   2HZ   LYS   4           HZ1      LYS   4   8.611  -5.574  -5.574
   42   3HZ   LYS   4           HZ2      LYS   4   8.918  -5.619  -5.619
   43    H    ALA   5           HN       ALA   5  11.179   2.103   2.103
   44    HA   ALA   5           HA       ALA   5   9.881   4.059   4.059
   45   1HB   ALA   5           HB2      ALA   5  12.455   3.705   3.705
   46   2HB   ALA   5           HB3      ALA   5  11.857   5.179   5.179
   47   3HB   ALA   5           HB1      ALA   5  11.907   5.052   5.052
   48    H    ARG   6           HN       ARG   6  10.257   3.629   3.629
   49    HA   ARG   6           HA       ARG   6   8.682   6.036   6.036
   50   1HB   ARG   6           HB1      ARG   6   9.202   5.677   5.677
   51   2HB   ARG   6           HB2      ARG   6  10.662   5.243   5.243
   52   1HG   ARG   6           HG1      ARG   6  10.564   3.262   3.262
   53   2HG   ARG   6           HG2      ARG   6   9.201   2.875   2.875
   54   1HD   ARG   6           HD1      ARG   6   8.442   2.549   2.549
   55   2HD   ARG   6           HD2      ARG   6   7.719   4.056   4.056
   56    HE   ARG   6           HE       ARG   6   9.926   5.018   5.018
   57   1HH1  ARG   6          HH11      ARG   6   9.149   1.995   1.995
   58   2HH1  ARG   6          HH12      ARG   6   8.762   2.452   2.452
   59   1HH2  ARG   6          HH21      ARG   6   8.833   5.855   5.855
   60   2HH2  ARG   6          HH22      ARG   6   8.581   4.638   4.638
   61    H    VAL   7           HN       VAL   7   7.777   3.145   3.145
   62    HA   VAL   7           HA       VAL   7   5.612   2.625   2.625
   63    HB   VAL   7           HB       VAL   7   6.465   1.273   1.273
   64   1HG1  VAL   7          HG12      VAL   7   3.888   1.273   1.273
   65   2HG1  VAL   7          HG13      VAL   7   4.629  -0.308  -0.308
   66   3HG1  VAL   7          HG11      VAL   7   4.429   0.324   0.324
   67   1HG2  VAL   7          HG23      VAL   7   7.257   1.064   1.064
   68   2HG2  VAL   7          HG21      VAL   7   7.752   0.041   0.041
   69   3HG2  VAL   7          HG22      VAL   7   6.338  -0.391  -0.391
   70    H    GLU   8           HN       GLU   8   5.773   3.245   3.245
   71    HA   GLU   8           HA       GLU   8   3.033   3.703   3.703
   72   1HB   GLU   8           HB1      GLU   8   5.244   3.808   3.808
   73   2HB   GLU   8           HB2      GLU   8   4.882   5.528   5.528
   74   1HG   GLU   8           HG1      GLU   8   2.420   4.137   4.137
   75   2HG   GLU   8           HG2      GLU   8   3.579   3.577   3.577
   76    H    GLN   9           HN       GLN   9   5.540   6.114   6.114
   77    HA   GLN   9           HA       GLN   9   3.821   8.360   8.360
   78   1HB   GLN   9           HB1      GLN   9   6.530   7.836   7.836
   79   2HB   GLN   9           HB2      GLN   9   5.891   8.442   8.442
   80   1HG   GLN   9           HG1      GLN   9   4.918  10.385  10.385
   81   2HG   GLN   9           HG2      GLN   9   5.623   9.784   9.784
   82   1HE2  GLN   9          HE22      GLN   9   9.035  10.323  10.323
   83   2HE2  GLN   9          HE21      GLN   9   8.174   8.998   8.998
   84    H    GLU  10           HN       GLU  10   4.391   5.751   5.751
   85    HA   GLU  10           HA       GLU  10   3.231   7.050   7.050
   86   1HB   GLU  10           HB1      GLU  10   4.582   4.690   4.690
   87   2HB   GLU  10           HB2      GLU  10   2.940   4.130   4.130
   88   1HG   GLU  10           HG1      GLU  10   4.214   6.213   6.213
   89   2HG   GLU  10           HG2      GLU  10   4.537   4.499   4.499
   90    H    LEU  11           HN       LEU  11   1.880   4.518   4.518
   91    HA   LEU  11           HA       LEU  11  -0.794   5.040   5.040
   92   1HB   LEU  11           HB1      LEU  11  -0.082   3.253   3.253
   93   2HB   LEU  11           HB2      LEU  11  -1.505   3.161   3.161
   94    HG   LEU  11           HG       LEU  11   1.083   3.015   3.015
   95   1HD1  LEU  11          HD13      LEU  11   1.039   1.612   1.612
   96   2HD1  LEU  11          HD11      LEU  11   0.297   0.444   0.444
   97   3HD1  LEU  11          HD12      LEU  11   1.904   1.082   1.082
   98   1HD2  LEU  11          HD23      LEU  11  -1.665   2.254   2.254
   99   2HD2  LEU  11          HD21      LEU  11  -0.367   2.199   2.199
  100   3HD2  LEU  11          HD22      LEU  11  -0.662   0.810   0.810
  101    H    GLN  12           HN       GLN  12   0.797   7.031   7.031
  102    HA   GLN  12           HA       GLN  12  -0.775   7.187   7.187
  103   1HB   GLN  12           HB1      GLN  12   0.487   9.120   9.120
  104   2HB   GLN  12           HB2      GLN  12   1.606   8.102   8.102
  105   1HG   GLN  12           HG1      GLN  12   1.129   9.366   9.366
  106   2HG   GLN  12           HG2      GLN  12  -0.046  10.356  10.356
  107   1HE2  GLN  12          HE22      GLN  12   2.584  12.627  12.627
  108   2HE2  GLN  12          HE21      GLN  12   1.056  12.381  12.381
  109    H    ALA  13           HN       ALA  13  -0.799   8.894   8.894
  110    HA   ALA  13           HA       ALA  13  -3.051  10.575  10.575
  111   1HB   ALA  13           HB1      ALA  13  -1.343  10.181  10.181
  112   2HB   ALA  13           HB2      ALA  13  -2.983  10.749  10.749
  113   3HB   ALA  13           HB3      ALA  13  -1.913  11.676  11.676
  114    H    LEU  14           HN       LEU  14  -2.716   7.349   7.349
  115    HA   LEU  14           HA       LEU  14  -5.139   7.093   7.093
  116   1HB   LEU  14           HB1      LEU  14  -2.990   5.414   5.414
  117   2HB   LEU  14           HB2      LEU  14  -4.445   4.657   4.657
  118    HG   LEU  14           HG       LEU  14  -4.970   5.658   5.658
  119   1HD1  LEU  14          HD12      LEU  14  -2.383   4.259   4.259
  120   2HD1  LEU  14          HD13      LEU  14  -3.364   3.688   3.688
  121   3HD1  LEU  14          HD11      LEU  14  -2.857   5.376   5.376
  122   1HD2  LEU  14          HD22      LEU  14  -5.242   3.210   3.210
  123   2HD2  LEU  14          HD23      LEU  14  -6.355   3.909   3.909
  124   3HD2  LEU  14          HD21      LEU  14  -5.014   2.902   2.902
  125    H    GLU  15           HN       GLU  15  -4.336   6.471   6.471
  126    HA   GLU  15           HA       GLU  15  -7.051   5.708   5.708
  127   1HB   GLU  15           HB1      GLU  15  -6.276   5.664   5.664
  128   2HB   GLU  15           HB2      GLU  15  -4.942   5.072   5.072
  129   1HG   GLU  15           HG1      GLU  15  -3.665   6.670   6.670
  130   2HG   GLU  15           HG2      GLU  15  -4.604   7.852   7.852
  131    H    ALA  16           HN       ALA  16  -5.369   8.722   8.722
  132    HA   ALA  16           HA       ALA  16  -7.052  10.314  10.314
  133   1HB   ALA  16           HB2      ALA  16  -4.745  10.856  10.856
  134   2HB   ALA  16           HB3      ALA  16  -5.802  11.470  11.470
  135   3HB   ALA  16           HB1      ALA  16  -5.896  12.143  12.143
  136    H    ARG  17           HN       ARG  17  -7.321   9.186   9.186
  137    HA   ARG  17           HA       ARG  17  -9.971  10.568  10.568
  138   1HB   ARG  17           HB1      ARG  17  -8.246  11.440  11.440
  139   2HB   ARG  17           HB2      ARG  17  -8.174   9.831   9.831
  140   1HG   ARG  17           HG1      ARG  17 -10.044  10.229  10.229
  141   2HG   ARG  17           HG2      ARG  17 -10.925  10.695  10.695
  142   1HD   ARG  17           HD1      ARG  17  -9.541  12.922  12.922
  143   2HD   ARG  17           HD2      ARG  17  -9.363  12.414  12.414
  144    HE   ARG  17           HE       ARG  17 -12.119  12.408  12.408
  145   1HH1  ARG  17          HH11      ARG  17 -10.755  12.766  12.766
  146   2HH1  ARG  17          HH12      ARG  17 -11.308  14.367  14.367
  147   1HH2  ARG  17          HH21      ARG  17 -12.351  15.023  15.023
  148   2HH2  ARG  17          HH22      ARG  17 -12.213  15.645  15.645
  149    H    GLY  18           HN       GLY  18 -10.168   8.236   8.236
  150   1HA   GLY  18           HA1      GLY  18 -11.134   6.381   6.381
  151   2HA   GLY  18           HA2      GLY  18 -10.220   5.763   5.763
  152    H    THR  19           HN       THR  19 -13.262   5.949   5.949
  153    HA   THR  19           HA       THR  19 -14.556   6.701   6.701
  154    HB   THR  19           HB       THR  19 -15.563   7.429   7.429
  155    HG1  THR  19           HG1      THR  19 -16.755   6.585   6.585
  156   1HG2  THR  19          HG23      THR  19 -14.816   5.277   5.277
  157   2HG2  THR  19          HG21      THR  19 -16.232   4.519   4.519
  158   3HG2  THR  19          HG22      THR  19 -16.431   5.869   5.869
  159    H    ASP  20           HN       ASP  20 -12.875   4.151   4.151
  160    HA   ASP  20           HA       ASP  20 -14.701   2.319   2.319
  161   1HB   ASP  20           HB1      ASP  20 -14.620   2.050   2.050
  162   2HB   ASP  20           HB2      ASP  20 -13.160   1.141   1.141
  163    H    SER  21           HN       SER  21 -13.142   2.836   2.836
  164    HA   SER  21           HA       SER  21 -10.815   1.046   1.046
  165   1HB   SER  21           HB1      SER  21 -10.336   3.604   3.604
  166   2HB   SER  21           HB2      SER  21 -10.286   3.754   3.754
  167    HG   SER  21           HG       SER  21  -8.912   1.693   1.693
  168    H    ASN  22           HN       ASN  22  -9.759   2.337   2.337
  169    HA   ASN  22           HA       ASN  22 -10.022   2.072   2.072
  170   1HB   ASN  22           HB1      ASN  22 -12.077   3.590   3.590
  171   2HB   ASN  22           HB2      ASN  22 -13.001   2.143   2.143
  172   1HD2  ASN  22          HD22      ASN  22 -12.247   4.412   4.412
  173   2HD2  ASN  22          HD21      ASN  22 -12.700   4.839   4.839
  174    H    ALA  23           HN       ALA  23 -10.495  -0.199  -0.199
  175    HA   ALA  23           HA       ALA  23 -11.267  -2.195  -2.195
  176   1HB   ALA  23           HB1      ALA  23 -12.634  -1.649  -1.649
  177   2HB   ALA  23           HB2      ALA  23 -12.570  -3.302  -3.302
  178   3HB   ALA  23           HB3      ALA  23 -13.343  -2.036  -2.036
  179    H    GLU  24           HN       GLU  24 -10.251  -1.764  -1.764
  180    HA   GLU  24           HA       GLU  24  -8.813  -4.292  -4.292
  181   1HB   GLU  24           HB1      GLU  24  -9.041  -2.040  -2.040
  182   2HB   GLU  24           HB2      GLU  24  -8.027  -3.457  -3.457
  183   1HG   GLU  24           HG1      GLU  24 -10.347  -4.655  -4.655
  184   2HG   GLU  24           HG2      GLU  24 -10.982  -3.207  -3.207
  185    H    LEU  25           HN       LEU  25  -8.131  -1.271  -1.271
  186    HA   LEU  25           HA       LEU  25  -5.524  -0.620  -0.620
  187   1HB   LEU  25           HB1      LEU  25  -6.826  -0.648  -0.648
  188   2HB   LEU  25           HB2      LEU  25  -5.229   0.041   0.041
  189    HG   LEU  25           HG       LEU  25  -7.424   0.894   0.894
  190   1HD1  LEU  25          HD12      LEU  25  -8.464   0.930   0.930
  191   2HD1  LEU  25          HD13      LEU  25  -7.142   1.952   1.952
  192   3HD1  LEU  25          HD11      LEU  25  -8.255   2.547   2.547
  193   1HD2  LEU  25          HD21      LEU  25  -4.874   1.607   1.607
  194   2HD2  LEU  25          HD22      LEU  25  -6.113   2.802   2.802
  195   3HD2  LEU  25          HD23      LEU  25  -5.484   2.682   2.682
  196    H    ARG  26           HN       ARG  26  -6.604  -3.329  -3.329
  197    HA   ARG  26           HA       ARG  26  -3.923  -4.102  -4.102
  198   1HB   ARG  26           HB1      ARG  26  -6.569  -5.580  -5.580
  199   2HB   ARG  26           HB2      ARG  26  -5.074  -6.262  -6.262
  200   1HG   ARG  26           HG1      ARG  26  -5.937  -3.541  -3.541
  201   2HG   ARG  26           HG2      ARG  26  -6.736  -4.962  -4.962
  202   1HD   ARG  26           HD1      ARG  26  -4.910  -4.549  -4.549
  203   2HD   ARG  26           HD2      ARG  26  -4.364  -5.871  -5.871
  204    HE   ARG  26           HE       ARG  26  -2.620  -4.413  -4.413
  205   1HH1  ARG  26          HH21      ARG  26  -4.644  -2.436  -2.436
  206   2HH1  ARG  26          HH22      ARG  26  -4.400  -1.018  -1.018
  207   1HH2  ARG  26          HH11      ARG  26  -2.690  -2.696  -2.696
  208   2HH2  ARG  26          HH12      ARG  26  -3.295  -1.166  -1.166
  209    H    ALA  27           HN       ALA  27  -6.219  -5.282  -5.282
  210    HA   ALA  27           HA       ALA  27  -4.561  -7.354  -7.354
  211   1HB   ALA  27           HB1      ALA  27  -6.999  -5.984  -5.984
  212   2HB   ALA  27           HB2      ALA  27  -5.985  -6.368  -6.368
  213   3HB   ALA  27           HB3      ALA  27  -6.507  -7.650  -7.650
  214    H    MET  28           HN       MET  28  -4.197  -3.964  -3.964
  215    HA   MET  28           HA       MET  28  -2.909  -3.672  -3.672
  216   1HB   MET  28           HB1      MET  28  -3.609  -1.713  -1.713
  217   2HB   MET  28           HB2      MET  28  -2.550  -2.144  -2.144
  218   1HG   MET  28           HG1      MET  28  -0.746  -1.229  -1.229
  219   2HG   MET  28           HG2      MET  28  -1.121  -2.015  -2.015
  220   1HE   MET  28           HE3      MET  28  -3.428  -1.496  -1.496
  221   2HE   MET  28           HE1      MET  28  -3.814   0.142   0.142
  222   3HE   MET  28           HE2      MET  28  -2.333  -0.644  -0.644
  223    H    GLU  29           HN       GLU  29  -1.652  -4.537  -4.537
  224    HA   GLU  29           HA       GLU  29   1.115  -4.513  -4.513
  225   1HB   GLU  29           HB1      GLU  29  -0.353  -6.339  -6.339
  226   2HB   GLU  29           HB2      GLU  29   1.386  -6.041  -6.041
  227   1HG   GLU  29           HG1      GLU  29  -0.704  -3.870  -3.870
  228   2HG   GLU  29           HG2      GLU  29   0.124  -4.657  -4.657
  229    H    ALA  30           HN       ALA  30  -1.356  -7.023  -7.023
  230    HA   ALA  30           HA       ALA  30   0.364  -9.137  -9.137
  231   1HB   ALA  30           HB2      ALA  30  -2.447  -8.620  -8.620
  232   2HB   ALA  30           HB3      ALA  30  -2.051  -9.276  -9.276
  233   3HB   ALA  30           HB1      ALA  30  -1.628 -10.176 -10.176
  234    H    LYS  31           HN       LYS  31  -1.580  -7.034  -7.034
  235    HA   LYS  31           HA       LYS  31  -0.240  -7.851  -7.851
  236   1HB   LYS  31           HB1      LYS  31  -1.655  -5.231  -5.231
  237   2HB   LYS  31           HB2      LYS  31  -1.279  -5.877  -5.877
  238   1HG   LYS  31           HG1      LYS  31  -2.777  -7.715  -7.715
  239   2HG   LYS  31           HG2      LYS  31  -2.930  -7.408  -7.408
  240   1HD   LYS  31           HD1      LYS  31  -3.646  -5.061  -5.061
  241   2HD   LYS  31           HD2      LYS  31  -4.625  -6.457  -6.457
  242   1HE   LYS  31           HE1      LYS  31  -4.604  -6.671  -6.671
  243   2HE   LYS  31           HE2      LYS  31  -4.578  -4.920  -4.920
  244   1HZ   LYS  31           HZ2      LYS  31  -6.397  -5.767  -5.767
  245   2HZ   LYS  31           HZ3      LYS  31  -6.692  -6.786  -6.786
  246   3HZ   LYS  31           HZ1      LYS  31  -6.760  -5.102  -5.102
  247    H    LEU  32           HN       LEU  32   0.731  -5.715  -5.715
  248    HA   LEU  32           HA       LEU  32   2.373  -3.857  -3.857
  249   1HB   LEU  32           HB1      LEU  32   1.950  -4.081  -4.081
  250   2HB   LEU  32           HB2      LEU  32   3.208  -5.318  -5.318
  251    HG   LEU  32           HG       LEU  32   3.637  -2.538  -2.538
  252   1HD1  LEU  32          HD12      LEU  32   3.150  -3.070  -3.070
  253   2HD1  LEU  32          HD13      LEU  32   4.905  -3.225  -3.225
  254   3HD1  LEU  32          HD11      LEU  32   4.126  -1.725  -1.725
  255   1HD2  LEU  32          HD22      LEU  32   5.295  -4.976  -4.976
  256   2HD2  LEU  32          HD23      LEU  32   5.366  -3.828  -3.828
  257   3HD2  LEU  32          HD21      LEU  32   6.059  -3.402  -3.402
  258    H    LYS  33           HN       LYS  33   3.645  -6.890  -6.890
  259    HA   LYS  33           HA       LYS  33   6.109  -6.845  -6.845
  260   1HB   LYS  33           HB1      LYS  33   4.774  -8.601  -8.601
  261   2HB   LYS  33           HB2      LYS  33   5.151  -9.559  -9.559
  262   1HG   LYS  33           HG1      LYS  33   7.496  -8.958  -8.958
  263   2HG   LYS  33           HG2      LYS  33   7.165  -7.817  -7.817
  264   1HD   LYS  33           HD1      LYS  33   6.057 -10.184 -10.184
  265   2HD   LYS  33           HD2      LYS  33   7.520 -10.725 -10.725
  266   1HE   LYS  33           HE1      LYS  33   8.912  -9.620  -9.620
  267   2HE   LYS  33           HE2      LYS  33   7.754  -8.321  -8.321
  268   1HZ   LYS  33           HZ3      LYS  33   6.448 -10.408 -10.408
  269   2HZ   LYS  33           HZ1      LYS  33   8.047 -10.871 -10.871
  270   3HZ   LYS  33           HZ2      LYS  33   7.456  -9.390  -9.390
  271    H    ALA  34           HN       ALA  34   2.949  -7.521  -7.521
  272    HA   ALA  34           HA       ALA  34   3.756  -9.177  -9.177
  273   1HB   ALA  34           HB3      ALA  34   1.341  -8.515  -8.515
  274   2HB   ALA  34           HB1      ALA  34   1.316  -7.566  -7.566
  275   3HB   ALA  34           HB2      ALA  34   1.527  -9.315  -9.315
  276    H    GLU  35           HN       GLU  35   3.200  -5.699  -5.699
  277    HA   GLU  35           HA       GLU  35   3.590  -5.032  -5.032
  278   1HB   GLU  35           HB1      GLU  35   3.618  -3.415  -3.415
  279   2HB   GLU  35           HB2      GLU  35   3.955  -2.686  -2.686
  280   1HG   GLU  35           HG1      GLU  35   1.781  -2.894  -2.894
  281   2HG   GLU  35           HG2      GLU  35   1.530  -4.402  -4.402
  282    H    ILE  36           HN       ILE  36   5.688  -4.669  -4.669
  283    HA   ILE  36           HA       ILE  36   7.967  -3.726  -3.726
  284    HB   ILE  36           HB       ILE  36   9.220  -4.909  -4.909
  285   1HG1  ILE  36          HG11      ILE  36   6.602  -4.967  -4.967
  286   2HG1  ILE  36          HG12      ILE  36   6.911  -6.290  -6.290
  287   1HG2  ILE  36          HG21      ILE  36   7.135  -2.745  -2.745
  288   2HG2  ILE  36          HG22      ILE  36   8.204  -3.192  -3.192
  289   3HG2  ILE  36          HG23      ILE  36   8.880  -2.561  -2.561
  290   1HD1  ILE  36          HD12      ILE  36   9.313  -6.129  -6.129
  291   2HD1  ILE  36          HD13      ILE  36   8.201  -5.668  -5.668
  292   3HD1  ILE  36          HD11      ILE  36   8.010  -7.220  -7.220
  293    H    GLN  37           HN       GLN  37   6.743  -7.002  -7.002
  294    HA   GLN  37           HA       GLN  37   9.032  -8.449  -8.449
  295   1HB   GLN  37           HB1      GLN  37   6.635  -9.238  -9.238
  296   2HB   GLN  37           HB2      GLN  37   6.314  -9.315  -9.315
  297   1HG   GLN  37           HG1      GLN  37   8.275 -10.782 -10.782
  298   2HG   GLN  37           HG2      GLN  37   8.615 -10.688 -10.688
  299   1HE2  GLN  37          HE22      GLN  37   6.711 -13.741 -13.741
  300   2HE2  GLN  37          HE21      GLN  37   8.294 -13.134 -13.134
  301    H    LYS  38           HN       LYS  38   6.268  -7.388  -7.388
  302    HA   LYS  38           HA       LYS  38   7.608  -8.034  -8.034
  303   1HB   LYS  38           HB1      LYS  38   5.113  -6.568  -6.568
  304   2HB   LYS  38           HB2      LYS  38   5.743  -6.360  -6.360
  305   1HG   LYS  38           HG1      LYS  38   5.704  -8.784  -8.784
  306   2HG   LYS  38           HG2      LYS  38   5.169  -9.036  -9.036
  307   1HD   LYS  38           HD1      LYS  38   3.628  -7.411  -7.411
  308   2HD   LYS  38           HD2      LYS  38   3.306  -9.110  -9.110
  309   1HE   LYS  38           HE1      LYS  38   3.177  -6.820  -6.820
  310   2HE   LYS  38           HE2      LYS  38   1.796  -7.679  -7.679
  311   1HZ   LYS  38           HZ1      LYS  38   3.067  -9.739  -9.739
  312   2HZ   LYS  38           HZ2      LYS  38   3.765  -8.587  -8.587
  313   3HZ   LYS  38           HZ3      LYS  38   2.080  -8.802  -8.802
  314   1HN   NH2  39          1HN       NH2  39   9.896  -6.364  -6.364
  315   2HN   NH2  39          2HN       NH2  39   9.344  -5.254  -5.254

  Start of MODEL   18
    1   1H2   SIN   0          1H2       SIN   0  15.726   3.819   3.819
    2   2H2   SIN   0          2H2       SIN   0  15.776   2.446   2.446
    3   1H3   SIN   0          1H3       SIN   0  14.091   3.284   3.284
    4   2H3   SIN   0          2H3       SIN   0  14.501   4.963   4.963
    5    H    ASP   1           HN       ASP   1  14.247   5.282   5.282
    6    HA   ASP   1           HA       ASP   1  11.652   4.476   4.476
    7   1HB   ASP   1           HB1      ASP   1  13.056   5.631   5.631
    8   2HB   ASP   1           HB2      ASP   1  13.232   7.013   7.013
    9    H    TRP   2           HN       TRP   2  12.720   7.098   7.098
   10    HA   TRP   2           HA       TRP   2  10.196   8.335   8.335
   11   1HB   TRP   2           HB1      TRP   2  11.124   9.439   9.439
   12   2HB   TRP   2           HB2      TRP   2  12.424   9.275   9.275
   13    HD1  TRP   2           HD1      TRP   2  14.097   7.183   7.183
   14    HE1  TRP   2           HE1      TRP   2  14.934   6.081   6.081
   15    HE3  TRP   2           HE3      TRP   2  10.538   8.863   8.863
   16    HZ2  TRP   2           HZ2      TRP   2  14.157   5.938   5.938
   17    HZ3  TRP   2           HZ3      TRP   2  10.595   8.239   8.239
   18    HH2  TRP   2           HH2      TRP   2  12.403   6.777   6.777
   19    H    LEU   3           HN       LEU   3  11.661   5.563   5.563
   20    HA   LEU   3           HA       LEU   3   9.909   5.352   5.352
   21   1HB   LEU   3           HB1      LEU   3  11.815   3.623   3.623
   22   2HB   LEU   3           HB2      LEU   3  10.456   2.726   2.726
   23    HG   LEU   3           HG       LEU   3  11.261   4.715   4.715
   24   1HD1  LEU   3          HD11      LEU   3  13.429   4.493   4.493
   25   2HD1  LEU   3          HD12      LEU   3  13.537   2.864   2.864
   26   3HD1  LEU   3          HD13      LEU   3  13.557   4.262   4.262
   27   1HD2  LEU   3          HD22      LEU   3  10.808   1.831   1.831
   28   2HD2  LEU   3          HD23      LEU   3  10.466   2.926   2.926
   29   3HD2  LEU   3          HD21      LEU   3  12.078   2.234   2.234
   30    H    LYS   4           HN       LYS   4   9.258   4.862   4.862
   31    HA   LYS   4           HA       LYS   4   7.045   3.010   3.010
   32   1HB   LYS   4           HB1      LYS   4   7.911   4.780   4.780
   33   2HB   LYS   4           HB2      LYS   4   6.445   3.801   3.801
   34   1HG   LYS   4           HG1      LYS   4   7.826   1.784   1.784
   35   2HG   LYS   4           HG2      LYS   4   9.271   2.794   2.794
   36   1HD   LYS   4           HD1      LYS   4   8.545   3.450   3.450
   37   2HD   LYS   4           HD2      LYS   4   7.334   2.172   2.172
   38   1HE   LYS   4           HE1      LYS   4   9.835   1.096   1.096
   39   2HE   LYS   4           HE2      LYS   4  10.106   1.931   1.931
   40   1HZ   LYS   4           HZ1      LYS   4   8.217   0.707   0.707
   41   2HZ   LYS   4           HZ2      LYS   4   8.045  -0.140  -0.140
   42   3HZ   LYS   4           HZ3      LYS   4   9.449  -0.334  -0.334
   43    H    ALA   5           HN       ALA   5   7.456   6.492   6.492
   44    HA   ALA   5           HA       ALA   5   4.555   6.964   6.964
   45   1HB   ALA   5           HB1      ALA   5   6.957   8.806   8.806
   46   2HB   ALA   5           HB2      ALA   5   5.291   9.374   9.374
   47   3HB   ALA   5           HB3      ALA   5   5.864   8.568   8.568
   48    H    ARG   6           HN       ARG   6   7.292   6.823   6.823
   49    HA   ARG   6           HA       ARG   6   5.739   7.954   7.954
   50   1HB   ARG   6           HB1      ARG   6   7.733   8.032   8.032
   51   2HB   ARG   6           HB2      ARG   6   8.314   8.198   8.198
   52   1HG   ARG   6           HG1      ARG   6   9.676   6.452   6.452
   53   2HG   ARG   6           HG2      ARG   6   8.232   5.453   5.453
   54   1HD   ARG   6           HD1      ARG   6   7.843   6.190   6.190
   55   2HD   ARG   6           HD2      ARG   6   9.587   6.449   6.449
   56    HE   ARG   6           HE       ARG   6   8.862   3.852   3.852
   57   1HH1  ARG   6          HH21      ARG   6  11.196   4.728   4.728
   58   2HH1  ARG   6          HH22      ARG   6  10.831   3.806   3.806
   59   1HH2  ARG   6          HH11      ARG   6   7.588   3.077   3.077
   60   2HH2  ARG   6          HH12      ARG   6   8.790   2.869   2.869
   61    H    VAL   7           HN       VAL   7   6.340   4.867   4.867
   62    HA   VAL   7           HA       VAL   7   5.804   3.401   3.401
   63    HB   VAL   7           HB       VAL   7   7.340   2.535   2.535
   64   1HG1  VAL   7          HG13      VAL   7   5.935   3.319   3.319
   65   2HG1  VAL   7          HG11      VAL   7   4.730   2.103   2.103
   66   3HG1  VAL   7          HG12      VAL   7   6.333   1.605   1.605
   67   1HG2  VAL   7          HG22      VAL   7   4.897   0.875   0.875
   68   2HG2  VAL   7          HG23      VAL   7   6.383   0.994   0.994
   69   3HG2  VAL   7          HG21      VAL   7   6.403   0.218   0.218
   70    H    GLU   8           HN       GLU   8   4.058   4.601   4.601
   71    HA   GLU   8           HA       GLU   8   1.742   2.906   2.906
   72   1HB   GLU   8           HB1      GLU   8   2.471   4.503   4.503
   73   2HB   GLU   8           HB2      GLU   8   1.599   5.729   5.729
   74   1HG   GLU   8           HG1      GLU   8   0.087   3.241   3.241
   75   2HG   GLU   8           HG2      GLU   8   0.477   3.910   3.910
   76    H    GLN   9           HN       GLN   9   2.414   6.230   6.230
   77    HA   GLN   9           HA       GLN   9  -0.037   6.673   6.673
   78   1HB   GLN   9           HB1      GLN   9   1.703   8.412   8.412
   79   2HB   GLN   9           HB2      GLN   9   2.713   7.616   7.616
   80   1HG   GLN   9           HG1      GLN   9   0.014   8.065   8.065
   81   2HG   GLN   9           HG2      GLN   9   0.771   9.575   9.575
   82   1HE2  GLN   9          HE22      GLN   9   3.370   9.379   9.379
   83   2HE2  GLN   9          HE21      GLN   9   3.031   9.976   9.976
   84    H    GLU  10           HN       GLU  10   2.947   5.160   5.160
   85    HA   GLU  10           HA       GLU  10   2.039   4.740   4.740
   86   1HB   GLU  10           HB1      GLU  10   4.396   4.443   4.443
   87   2HB   GLU  10           HB2      GLU  10   3.925   3.008   3.008
   88   1HG   GLU  10           HG1      GLU  10   4.753   2.222   2.222
   89   2HG   GLU  10           HG2      GLU  10   2.996   2.081   2.081
   90    H    LEU  11           HN       LEU  11   1.889   2.570   2.570
   91    HA   LEU  11           HA       LEU  11   0.547   0.441   0.441
   92   1HB   LEU  11           HB1      LEU  11   0.662   1.278   1.278
   93   2HB   LEU  11           HB2      LEU  11  -0.203  -0.165  -0.165
   94    HG   LEU  11           HG       LEU  11   2.706   0.372   0.372
   95   1HD1  LEU  11          HD13      LEU  11   1.406  -0.744  -0.744
   96   2HD1  LEU  11          HD11      LEU  11   2.749  -1.687  -1.687
   97   3HD1  LEU  11          HD12      LEU  11   2.996  -0.003  -0.003
   98   1HD2  LEU  11          HD22      LEU  11   0.753  -1.540  -1.540
   99   2HD2  LEU  11          HD23      LEU  11   2.451  -1.426  -1.426
  100   3HD2  LEU  11          HD21      LEU  11   1.981  -2.384  -2.384
  101    H    GLN  12           HN       GLN  12  -0.556   3.545   3.545
  102    HA   GLN  12           HA       GLN  12  -3.301   2.971   2.971
  103   1HB   GLN  12           HB1      GLN  12  -1.754   5.243   5.243
  104   2HB   GLN  12           HB2      GLN  12  -2.800   5.474   5.474
  105   1HG   GLN  12           HG1      GLN  12  -4.771   5.326   5.326
  106   2HG   GLN  12           HG2      GLN  12  -3.901   4.630   4.630
  107   1HE2  GLN  12          HE22      GLN  12  -4.177   8.644   8.644
  108   2HE2  GLN  12          HE21      GLN  12  -4.996   7.587   7.587
  109    H    ALA  13           HN       ALA  13  -1.514   2.875   2.875
  110    HA   ALA  13           HA       ALA  13  -3.585   3.438   3.438
  111   1HB   ALA  13           HB2      ALA  13  -1.031   1.870   1.870
  112   2HB   ALA  13           HB3      ALA  13  -2.154   1.723   1.723
  113   3HB   ALA  13           HB1      ALA  13  -1.485   3.299   3.299
  114    H    LEU  14           HN       LEU  14  -3.108   0.780   0.780
  115    HA   LEU  14           HA       LEU  14  -4.604  -1.179  -1.179
  116   1HB   LEU  14           HB1      LEU  14  -3.020  -1.211  -1.211
  117   2HB   LEU  14           HB2      LEU  14  -4.641  -1.631  -1.631
  118    HG   LEU  14           HG       LEU  14  -4.426  -3.095  -3.095
  119   1HD1  LEU  14          HD12      LEU  14  -1.721  -2.622  -2.622
  120   2HD1  LEU  14          HD13      LEU  14  -2.103  -4.270  -4.270
  121   3HD1  LEU  14          HD11      LEU  14  -2.185  -2.951  -2.951
  122   1HD2  LEU  14          HD23      LEU  14  -5.259  -3.815  -3.815
  123   2HD2  LEU  14          HD21      LEU  14  -4.220  -5.018  -5.018
  124   3HD2  LEU  14          HD22      LEU  14  -3.584  -3.994  -3.994
  125    H    GLU  15           HN       GLU  15  -5.472   0.064   0.064
  126    HA   GLU  15           HA       GLU  15  -8.219  -0.439  -0.439
  127   1HB   GLU  15           HB1      GLU  15  -8.481   1.405   1.405
  128   2HB   GLU  15           HB2      GLU  15  -7.205   0.258   0.258
  129   1HG   GLU  15           HG1      GLU  15  -5.549   1.803   1.803
  130   2HG   GLU  15           HG2      GLU  15  -6.361   2.549   2.549
  131    H    ALA  16           HN       ALA  16  -6.368   2.030   2.030
  132    HA   ALA  16           HA       ALA  16  -8.260   4.034   4.034
  133   1HB   ALA  16           HB1      ALA  16  -5.747   3.456   3.456
  134   2HB   ALA  16           HB2      ALA  16  -6.746   3.251   3.251
  135   3HB   ALA  16           HB3      ALA  16  -6.759   4.785   4.785
  136    H    ARG  17           HN       ARG  17  -7.631   1.313   1.313
  137    HA   ARG  17           HA       ARG  17 -10.443   1.606   1.606
  138   1HB   ARG  17           HB1      ARG  17  -9.693   0.312   0.312
  139   2HB   ARG  17           HB2      ARG  17  -8.694   1.746   1.746
  140   1HG   ARG  17           HG1      ARG  17  -6.865   0.441   0.441
  141   2HG   ARG  17           HG2      ARG  17  -7.559  -0.377  -0.377
  142   1HD   ARG  17           HD1      ARG  17  -7.458  -2.201  -2.201
  143   2HD   ARG  17           HD2      ARG  17  -8.984  -1.554  -1.554
  144    HE   ARG  17           HE       ARG  17  -6.394  -0.840  -0.840
  145   1HH1  ARG  17          HH21      ARG  17  -9.623  -0.430  -0.430
  146   2HH1  ARG  17          HH22      ARG  17  -9.744  -1.193  -1.193
  147   1HH2  ARG  17          HH11      ARG  17  -6.541  -2.513  -2.513
  148   2HH2  ARG  17          HH12      ARG  17  -8.000  -2.373  -2.373
  149    H    GLY  18           HN       GLY  18 -10.133   0.367   0.367
  150   1HA   GLY  18           HA1      GLY  18 -11.042  -2.377  -2.377
  151   2HA   GLY  18           HA2      GLY  18  -9.716  -2.214  -2.214
  152    H    THR  19           HN       THR  19 -13.015  -2.520  -2.520
  153    HA   THR  19           HA       THR  19 -13.505  -0.987  -0.987
  154    HB   THR  19           HB       THR  19 -15.934  -1.363  -1.363
  155    HG1  THR  19           HG1      THR  19 -15.223  -3.192  -3.192
  156   1HG2  THR  19          HG22      THR  19 -14.415   0.637   0.637
  157   2HG2  THR  19          HG23      THR  19 -14.549  -0.067  -0.067
  158   3HG2  THR  19          HG21      THR  19 -15.998   0.455   0.455
  159    H    ASP  20           HN       ASP  20 -12.337  -3.844  -3.844
  160    HA   ASP  20           HA       ASP  20 -14.185  -5.279  -5.279
  161   1HB   ASP  20           HB1      ASP  20 -13.784  -6.205  -6.205
  162   2HB   ASP  20           HB2      ASP  20 -12.173  -6.626  -6.626
  163    H    SER  21           HN       SER  21 -12.673  -3.769  -3.769
  164    HA   SER  21           HA       SER  21 -11.006  -5.469  -5.469
  165   1HB   SER  21           HB1      SER  21  -9.480  -5.417  -5.417
  166   2HB   SER  21           HB2      SER  21  -9.493  -3.656  -3.656
  167    HG   SER  21           HG       SER  21  -7.750  -4.121  -4.121
  168    H    ASN  22           HN       ASN  22 -12.991  -3.408  -3.408
  169    HA   ASN  22           HA       ASN  22 -11.511  -1.122  -1.122
  170   1HB   ASN  22           HB1      ASN  22 -13.717  -0.165  -0.165
  171   2HB   ASN  22           HB2      ASN  22 -13.631  -0.761  -0.761
  172   1HD2  ASN  22          HD22      ASN  22 -16.115  -2.589  -2.589
  173   2HD2  ASN  22          HD21      ASN  22 -14.966  -1.459  -1.459
  174    H    ALA  23           HN       ALA  23 -11.689  -4.029  -4.029
  175    HA   ALA  23           HA       ALA  23 -12.413  -3.326  -3.326
  176   1HB   ALA  23           HB3      ALA  23 -13.552  -5.303  -5.303
  177   2HB   ALA  23           HB1      ALA  23 -12.339  -6.187  -6.187
  178   3HB   ALA  23           HB2      ALA  23 -13.582  -5.257  -5.257
  179    H    GLU  24           HN       GLU  24 -10.212  -5.168  -5.168
  180    HA   GLU  24           HA       GLU  24  -8.459  -5.816  -5.816
  181   1HB   GLU  24           HB1      GLU  24  -8.389  -6.316  -6.316
  182   2HB   GLU  24           HB2      GLU  24  -6.955  -6.599  -6.599
  183   1HG   GLU  24           HG1      GLU  24  -9.630  -7.739  -7.739
  184   2HG   GLU  24           HG2      GLU  24  -8.605  -8.578  -8.578
  185    H    LEU  25           HN       LEU  25  -9.061  -2.974  -2.974
  186    HA   LEU  25           HA       LEU  25  -6.650  -1.908  -1.908
  187   1HB   LEU  25           HB1      LEU  25  -8.983  -0.763  -0.763
  188   2HB   LEU  25           HB2      LEU  25  -7.553   0.243   0.243
  189    HG   LEU  25           HG       LEU  25  -8.918  -1.230  -1.230
  190   1HD1  LEU  25          HD11      LEU  25 -10.097   0.792   0.792
  191   2HD1  LEU  25          HD12      LEU  25  -9.237   1.696   1.696
  192   3HD1  LEU  25          HD13      LEU  25 -10.412   0.462   0.462
  193   1HD2  LEU  25          HD23      LEU  25  -6.553  -0.529  -0.529
  194   2HD2  LEU  25          HD21      LEU  25  -7.649   0.358   0.358
  195   3HD2  LEU  25          HD22      LEU  25  -7.008   1.129   1.129
  196    H    ARG  26           HN       ARG  26  -7.611  -2.623  -2.623
  197    HA   ARG  26           HA       ARG  26  -5.353  -1.228  -1.228
  198   1HB   ARG  26           HB1      ARG  26  -7.662  -2.766  -2.766
  199   2HB   ARG  26           HB2      ARG  26  -6.202  -3.132  -3.132
  200   1HG   ARG  26           HG1      ARG  26  -6.295  -1.136  -1.136
  201   2HG   ARG  26           HG2      ARG  26  -6.417  -0.282  -0.282
  202   1HD   ARG  26           HD1      ARG  26  -8.677  -1.508  -1.508
  203   2HD   ARG  26           HD2      ARG  26  -8.421   0.202   0.202
  204    HE   ARG  26           HE       ARG  26  -9.362  -1.835  -1.835
  205   1HH1  ARG  26          HH21      ARG  26  -7.698   1.086   1.086
  206   2HH1  ARG  26          HH22      ARG  26  -8.806   1.929   1.929
  207   1HH2  ARG  26          HH11      ARG  26 -11.158  -0.616  -0.616
  208   2HH2  ARG  26          HH12      ARG  26 -10.763   0.967   0.967
  209    H    ALA  27           HN       ALA  27  -6.105  -4.626  -4.626
  210    HA   ALA  27           HA       ALA  27  -3.644  -5.676  -5.676
  211   1HB   ALA  27           HB3      ALA  27  -5.876  -6.884  -6.884
  212   2HB   ALA  27           HB1      ALA  27  -5.053  -6.982  -6.982
  213   3HB   ALA  27           HB2      ALA  27  -4.328  -7.719  -7.719
  214    H    MET  28           HN       MET  28  -4.331  -3.791  -3.791
  215    HA   MET  28           HA       MET  28  -2.358  -4.838  -4.838
  216   1HB   MET  28           HB1      MET  28  -4.110  -3.350  -3.350
  217   2HB   MET  28           HB2      MET  28  -3.549  -2.060  -2.060
  218   1HG   MET  28           HG1      MET  28  -2.100  -1.397  -1.397
  219   2HG   MET  28           HG2      MET  28  -1.310  -2.972  -2.972
  220   1HE   MET  28           HE1      MET  28  -2.178  -0.606  -0.606
  221   2HE   MET  28           HE2      MET  28  -1.110  -1.741  -1.741
  222   3HE   MET  28           HE3      MET  28  -2.669  -1.335  -1.335
  223    H    GLU  29           HN       GLU  29  -2.228  -2.581  -2.581
  224    HA   GLU  29           HA       GLU  29   0.312  -1.414  -1.414
  225   1HB   GLU  29           HB1      GLU  29  -1.429  -1.765  -1.765
  226   2HB   GLU  29           HB2      GLU  29   0.286  -1.556  -1.556
  227   1HG   GLU  29           HG1      GLU  29   0.328   0.597   0.597
  228   2HG   GLU  29           HG2      GLU  29  -0.900   0.267   0.267
  229    H    ALA  30           HN       ALA  30  -0.585  -4.518  -4.518
  230    HA   ALA  30           HA       ALA  30   1.989  -5.222  -5.222
  231   1HB   ALA  30           HB1      ALA  30  -0.527  -6.645  -6.645
  232   2HB   ALA  30           HB2      ALA  30   0.935  -7.629  -7.629
  233   3HB   ALA  30           HB3      ALA  30   0.442  -6.714  -6.714
  234    H    LYS  31           HN       LYS  31   0.410  -5.955  -5.955
  235    HA   LYS  31           HA       LYS  31   2.608  -7.380  -7.380
  236   1HB   LYS  31           HB1      LYS  31   0.166  -6.044  -6.044
  237   2HB   LYS  31           HB2      LYS  31   1.460  -6.367  -6.367
  238   1HG   LYS  31           HG1      LYS  31   1.444  -8.724  -8.724
  239   2HG   LYS  31           HG2      LYS  31   0.320  -8.451  -8.451
  240   1HD   LYS  31           HD1      LYS  31  -1.452  -8.544  -8.544
  241   2HD   LYS  31           HD2      LYS  31  -0.723  -7.363  -7.363
  242   1HE   LYS  31           HE1      LYS  31  -0.267  -9.004  -9.004
  243   2HE   LYS  31           HE2      LYS  31   0.726  -9.813  -9.813
  244   1HZ   LYS  31           HZ2      LYS  31  -1.370 -10.759 -10.759
  245   2HZ   LYS  31           HZ3      LYS  31  -2.190 -10.132 -10.132
  246   3HZ   LYS  31           HZ1      LYS  31  -0.983 -11.304 -11.304
  247    H    LEU  32           HN       LEU  32   2.113  -4.002  -4.002
  248    HA   LEU  32           HA       LEU  32   3.696  -2.854  -2.854
  249   1HB   LEU  32           HB1      LEU  32   2.429  -1.448  -1.448
  250   2HB   LEU  32           HB2      LEU  32   3.361  -2.028  -2.028
  251    HG   LEU  32           HG       LEU  32   5.267  -1.120  -1.120
  252   1HD1  LEU  32          HD12      LEU  32   3.106   0.028   0.028
  253   2HD1  LEU  32          HD13      LEU  32   3.291   1.104   1.104
  254   3HD1  LEU  32          HD11      LEU  32   4.581   0.976   0.976
  255   1HD2  LEU  32          HD21      LEU  32   4.199  -0.347  -0.347
  256   2HD2  LEU  32          HD22      LEU  32   5.862  -0.668  -0.668
  257   3HD2  LEU  32          HD23      LEU  32   5.122   0.895   0.895
  258    H    LYS  33           HN       LYS  33   4.684  -4.289  -4.289
  259    HA   LYS  33           HA       LYS  33   7.421  -3.591  -3.591
  260   1HB   LYS  33           HB1      LYS  33   5.881  -5.021  -5.021
  261   2HB   LYS  33           HB2      LYS  33   6.799  -6.324  -6.324
  262   1HG   LYS  33           HG1      LYS  33   8.890  -4.932  -4.932
  263   2HG   LYS  33           HG2      LYS  33   7.875  -3.898  -3.898
  264   1HD   LYS  33           HD1      LYS  33   7.173  -6.314  -6.314
  265   2HD   LYS  33           HD2      LYS  33   8.823  -6.676  -6.676
  266   1HE   LYS  33           HE1      LYS  33   9.755  -5.125  -5.125
  267   2HE   LYS  33           HE2      LYS  33   8.283  -4.156  -4.156
  268   1HZ   LYS  33           HZ2      LYS  33   8.007  -6.871  -6.871
  269   2HZ   LYS  33           HZ3      LYS  33   9.032  -5.889  -5.889
  270   3HZ   LYS  33           HZ1      LYS  33   7.425  -5.419  -5.419
  271    H    ALA  34           HN       ALA  34   5.657  -6.098  -6.098
  272    HA   ALA  34           HA       ALA  34   7.885  -7.653  -7.653
  273   1HB   ALA  34           HB3      ALA  34   5.090  -7.219  -7.219
  274   2HB   ALA  34           HB1      ALA  34   6.223  -7.950  -7.950
  275   3HB   ALA  34           HB2      ALA  34   5.913  -8.721  -8.721
  276    H    GLU  35           HN       GLU  35   6.508  -4.637  -4.637
  277    HA   GLU  35           HA       GLU  35   8.110  -4.622  -4.622
  278   1HB   GLU  35           HB1      GLU  35   6.032  -3.020  -3.020
  279   2HB   GLU  35           HB2      GLU  35   7.387  -1.964  -1.964
  280   1HG   GLU  35           HG1      GLU  35   5.839  -2.222  -2.222
  281   2HG   GLU  35           HG2      GLU  35   7.433  -2.880  -2.880
  282    H    ILE  36           HN       ILE  36   8.259  -2.485  -2.485
  283    HA   ILE  36           HA       ILE  36  10.747  -1.316  -1.316
  284    HB   ILE  36           HB       ILE  36   9.459  -2.065  -2.065
  285   1HG1  ILE  36          HG11      ILE  36   9.678   0.706   0.706
  286   2HG1  ILE  36          HG12      ILE  36   9.261   0.128   0.128
  287   1HG2  ILE  36          HG22      ILE  36  12.082  -0.722  -0.722
  288   2HG2  ILE  36          HG23      ILE  36  11.155  -0.235  -0.235
  289   3HG2  ILE  36          HG21      ILE  36  11.699  -1.904  -1.904
  290   1HD1  ILE  36          HD12      ILE  36   7.485  -1.322  -1.322
  291   2HD1  ILE  36          HD13      ILE  36   7.720  -0.144  -0.144
  292   3HD1  ILE  36          HD11      ILE  36   7.153   0.385   0.385
  293    H    GLN  37           HN       GLN  37  10.040  -4.557  -4.557
  294    HA   GLN  37           HA       GLN  37  12.388  -5.394  -5.394
  295   1HB   GLN  37           HB1      GLN  37  10.318  -6.783  -6.783
  296   2HB   GLN  37           HB2      GLN  37  11.157  -7.022  -7.022
  297   1HG   GLN  37           HG1      GLN  37  13.167  -7.784  -7.784
  298   2HG   GLN  37           HG2      GLN  37  12.059  -7.843  -7.843
  299   1HE2  GLN  37          HE21      GLN  37  11.130  -9.869  -9.869
  300   2HE2  GLN  37          HE22      GLN  37  10.847 -11.002 -11.002
  301    H    LYS  38           HN       LYS  38  11.858  -5.484  -5.484
  302    HA   LYS  38           HA       LYS  38  14.589  -6.038  -6.038
  303   1HB   LYS  38           HB1      LYS  38  12.853  -6.457  -6.457
  304   2HB   LYS  38           HB2      LYS  38  12.408  -4.751  -4.751
  305   1HG   LYS  38           HG1      LYS  38  13.848  -4.593  -4.593
  306   2HG   LYS  38           HG2      LYS  38  15.116  -4.662  -4.662
  307   1HD   LYS  38           HD1      LYS  38  15.024  -7.188  -7.188
  308   2HD   LYS  38           HD2      LYS  38  13.968  -6.965  -6.965
  309   1HE   LYS  38           HE1      LYS  38  15.977  -6.983  -6.983
  310   2HE   LYS  38           HE2      LYS  38  15.958  -5.274  -5.274
  311   1HZ   LYS  38           HZ1      LYS  38  17.001  -6.365  -6.365
  312   2HZ   LYS  38           HZ2      LYS  38  17.601  -7.430  -7.430
  313   3HZ   LYS  38           HZ3      LYS  38  17.930  -5.767  -5.767
  314   1HN   NH2  39          1HN       NH2  39  14.175  -1.949  -1.949
  315   2HN   NH2  39          2HN       NH2  39  12.845  -2.955  -2.955

  Start of MODEL   19
    1   1H2   SIN   0          1H2       SIN   0 -15.690  -4.188  -4.188
    2   2H2   SIN   0          2H2       SIN   0 -14.088  -4.615  -4.615
    3   1H3   SIN   0          1H3       SIN   0 -13.148  -2.564  -2.564
    4   2H3   SIN   0          2H3       SIN   0 -14.685  -2.154  -2.154
    5    H    ASP   1           HN       ASP   1 -13.794  -0.205  -0.205
    6    HA   ASP   1           HA       ASP   1 -12.954  -1.430  -1.430
    7   1HB   ASP   1           HB1      ASP   1 -15.764  -0.678  -0.678
    8   2HB   ASP   1           HB2      ASP   1 -14.862   0.171   0.171
    9    H    TRP   2           HN       TRP   2 -14.523   1.671   1.671
   10    HA   TRP   2           HA       TRP   2 -12.925   3.385   3.385
   11   1HB   TRP   2           HB1      TRP   2 -13.527   5.135   5.135
   12   2HB   TRP   2           HB2      TRP   2 -14.904   4.032   4.032
   13    HD1  TRP   2           HD1      TRP   2 -15.053   2.152   2.152
   14    HE1  TRP   2           HE1      TRP   2 -14.386   2.292   2.292
   15    HE3  TRP   2           HE3      TRP   2 -11.958   6.190   6.190
   16    HZ2  TRP   2           HZ2      TRP   2 -12.730   3.919   3.919
   17    HZ3  TRP   2           HZ3      TRP   2 -10.843   7.019   7.019
   18    HH2  TRP   2           HH2      TRP   2 -11.227   5.888   5.888
   19    H    LEU   3           HN       LEU   3 -12.215   1.828   1.828
   20    HA   LEU   3           HA       LEU   3  -9.946   3.277   3.277
   21   1HB   LEU   3           HB1      LEU   3 -10.903   0.490   0.490
   22   2HB   LEU   3           HB2      LEU   3  -9.218   0.834   0.834
   23    HG   LEU   3           HG       LEU   3 -10.735   3.003   3.003
   24   1HD1  LEU   3          HD13      LEU   3 -12.602   1.176   1.176
   25   2HD1  LEU   3          HD11      LEU   3 -11.847   0.455   0.455
   26   3HD1  LEU   3          HD12      LEU   3 -12.503   2.090   2.090
   27   1HD2  LEU   3          HD22      LEU   3  -8.729   1.223   1.223
   28   2HD2  LEU   3          HD23      LEU   3  -9.334   2.606   2.606
   29   3HD2  LEU   3          HD21      LEU   3 -10.023   1.005   1.005
   30    H    LYS   4           HN       LYS   4 -10.169   0.556   0.556
   31    HA   LYS   4           HA       LYS   4  -7.478   0.070   0.070
   32   1HB   LYS   4           HB1      LYS   4  -9.957  -0.082  -0.082
   33   2HB   LYS   4           HB2      LYS   4  -8.481   0.068   0.068
   34   1HG   LYS   4           HG1      LYS   4  -7.715  -1.994  -1.994
   35   2HG   LYS   4           HG2      LYS   4  -8.359  -1.844  -1.844
   36   1HD   LYS   4           HD1      LYS   4  -9.704  -3.522  -3.522
   37   2HD   LYS   4           HD2      LYS   4 -10.687  -2.066  -2.066
   38   1HE   LYS   4           HE1      LYS   4  -9.997  -1.791  -1.791
   39   2HE   LYS   4           HE2      LYS   4  -8.838  -3.113  -3.113
   40   1HZ   LYS   4           HZ3      LYS   4 -11.548  -3.789  -3.789
   41   2HZ   LYS   4           HZ1      LYS   4 -11.350  -3.389  -3.389
   42   3HZ   LYS   4           HZ2      LYS   4 -10.434  -4.646  -4.646
   43    H    ALA   5           HN       ALA   5  -9.437   2.794   2.794
   44    HA   ALA   5           HA       ALA   5  -7.359   3.923   3.923
   45   1HB   ALA   5           HB2      ALA   5  -9.749   4.497   4.497
   46   2HB   ALA   5           HB3      ALA   5  -9.747   5.266   5.266
   47   3HB   ALA   5           HB1      ALA   5  -8.775   5.941   5.941
   48    H    ARG   6           HN       ARG   6  -8.545   4.771   4.771
   49    HA   ARG   6           HA       ARG   6  -6.381   6.660   6.660
   50   1HB   ARG   6           HB1      ARG   6  -7.296   6.926   6.926
   51   2HB   ARG   6           HB2      ARG   6  -8.616   6.914   6.914
   52   1HG   ARG   6           HG1      ARG   6  -9.490   5.358   5.358
   53   2HG   ARG   6           HG2      ARG   6  -8.439   4.263   4.263
   54   1HD   ARG   6           HD1      ARG   6  -8.125   3.997   3.997
   55   2HD   ARG   6           HD2      ARG   6  -6.658   4.603   4.603
   56    HE   ARG   6           HE       ARG   6  -7.105   6.783   6.783
   57   1HH1  ARG   6          HH11      ARG   6  -8.285   4.161   4.161
   58   2HH1  ARG   6          HH12      ARG   6  -9.402   5.052   5.052
   59   1HH2  ARG   6          HH21      ARG   6  -9.003   8.009   8.009
   60   2HH2  ARG   6          HH22      ARG   6  -9.807   7.230   7.230
   61    H    VAL   7           HN       VAL   7  -6.254   3.417   3.417
   62    HA   VAL   7           HA       VAL   7  -4.619   2.930   2.930
   63    HB   VAL   7           HB       VAL   7  -5.445   1.192   1.192
   64   1HG1  VAL   7          HG11      VAL   7  -3.435   0.756   0.756
   65   2HG1  VAL   7          HG12      VAL   7  -4.434  -0.604  -0.604
   66   3HG1  VAL   7          HG13      VAL   7  -3.397   0.217   0.217
   67   1HG2  VAL   7          HG21      VAL   7  -6.667   1.910   1.910
   68   2HG2  VAL   7          HG22      VAL   7  -7.185   0.649   0.649
   69   3HG2  VAL   7          HG23      VAL   7  -6.093   0.256   0.256
   70    H    GLU   8           HN       GLU   8  -3.993   2.288   2.288
   71    HA   GLU   8           HA       GLU   8  -1.227   2.097   2.097
   72   1HB   GLU   8           HB1      GLU   8  -2.722   1.885   1.885
   73   2HB   GLU   8           HB2      GLU   8  -2.656   3.644   3.644
   74   1HG   GLU   8           HG1      GLU   8  -0.870   3.011   3.011
   75   2HG   GLU   8           HG2      GLU   8  -0.057   3.268   3.268
   76    H    GLN   9           HN       GLN   9  -3.162   5.077   5.077
   77    HA   GLN   9           HA       GLN   9  -0.968   6.892   6.892
   78   1HB   GLN   9           HB1      GLN   9  -3.751   7.097   7.097
   79   2HB   GLN   9           HB2      GLN   9  -3.185   7.905   7.905
   80   1HG   GLN   9           HG1      GLN   9  -1.556   9.185   9.185
   81   2HG   GLN   9           HG2      GLN   9  -2.375   8.498   8.498
   82   1HE2  GLN   9          HE22      GLN   9  -4.277  11.541  11.541
   83   2HE2  GLN   9          HE21      GLN   9  -2.924  10.869  10.869
   84    H    GLU  10           HN       GLU  10  -2.759   5.645   5.645
   85    HA   GLU  10           HA       GLU  10  -1.378   7.030   7.030
   86   1HB   GLU  10           HB1      GLU  10  -3.309   5.115   5.115
   87   2HB   GLU  10           HB2      GLU  10  -1.932   4.174   4.174
   88   1HG   GLU  10           HG1      GLU  10  -2.120   6.813   6.813
   89   2HG   GLU  10           HG2      GLU  10  -3.531   5.801   5.801
   90    H    LEU  11           HN       LEU  11  -0.530   3.885   3.885
   91    HA   LEU  11           HA       LEU  11   1.818   3.403   3.403
   92   1HB   LEU  11           HB1      LEU  11   1.263   2.698   2.698
   93   2HB   LEU  11           HB2      LEU  11   2.519   1.975   1.975
   94    HG   LEU  11           HG       LEU  11  -0.376   1.956   1.956
   95   1HD1  LEU  11          HD11      LEU  11   0.534   0.753   0.753
   96   2HD1  LEU  11          HD12      LEU  11   0.618  -0.542  -0.542
   97   3HD1  LEU  11          HD13      LEU  11  -0.909   0.293   0.293
   98   1HD2  LEU  11          HD22      LEU  11   1.601   1.421   1.421
   99   2HD2  LEU  11          HD23      LEU  11   0.331   0.201   0.201
  100   3HD2  LEU  11          HD21      LEU  11   1.841  -0.022  -0.022
  101    H    GLN  12           HN       GLN  12   1.311   5.379   5.379
  102    HA   GLN  12           HA       GLN  12   4.015   5.900   5.900
  103   1HB   GLN  12           HB1      GLN  12   1.840   6.619   6.619
  104   2HB   GLN  12           HB2      GLN  12   1.882   8.026   8.026
  105   1HG   GLN  12           HG1      GLN  12   4.485   7.453   7.453
  106   2HG   GLN  12           HG2      GLN  12   3.237   7.772   7.772
  107   1HE2  GLN  12          HE21      GLN  12   5.535   9.535   9.535
  108   2HE2  GLN  12          HE22      GLN  12   4.810  10.984  10.984
  109    H    ALA  13           HN       ALA  13   1.907   7.403   7.403
  110    HA   ALA  13           HA       ALA  13   3.807   9.457   9.457
  111   1HB   ALA  13           HB3      ALA  13   1.143   8.639   8.639
  112   2HB   ALA  13           HB1      ALA  13   2.108   8.908   8.908
  113   3HB   ALA  13           HB2      ALA  13   1.932  10.195  10.195
  114    H    LEU  14           HN       LEU  14   3.255   6.130   6.130
  115    HA   LEU  14           HA       LEU  14   4.766   6.220   6.220
  116   1HB   LEU  14           HB1      LEU  14   4.135   3.927   3.927
  117   2HB   LEU  14           HB2      LEU  14   4.889   3.731   3.731
  118    HG   LEU  14           HG       LEU  14   2.215   5.086   5.086
  119   1HD1  LEU  14          HD13      LEU  14   2.816   2.347   2.347
  120   2HD1  LEU  14          HD11      LEU  14   2.156   2.585   2.585
  121   3HD1  LEU  14          HD12      LEU  14   1.219   3.066   3.066
  122   1HD2  LEU  14          HD23      LEU  14   3.685   4.166   4.166
  123   2HD2  LEU  14          HD21      LEU  14   3.365   5.835   5.835
  124   3HD2  LEU  14          HD22      LEU  14   2.030   4.775   4.775
  125    H    GLU  15           HN       GLU  15   5.643   5.704   5.704
  126    HA   GLU  15           HA       GLU  15   8.453   5.173   5.173
  127   1HB   GLU  15           HB1      GLU  15   6.913   5.035   5.035
  128   2HB   GLU  15           HB2      GLU  15   8.677   5.049   5.049
  129   1HG   GLU  15           HG1      GLU  15   8.567   2.817   2.817
  130   2HG   GLU  15           HG2      GLU  15   8.021   3.196   3.196
  131    H    ALA  16           HN       ALA  16   6.496   7.830   7.830
  132    HA   ALA  16           HA       ALA  16   8.345   9.469   9.469
  133   1HB   ALA  16           HB2      ALA  16   6.052  10.247  10.247
  134   2HB   ALA  16           HB3      ALA  16   6.890  11.345  11.345
  135   3HB   ALA  16           HB1      ALA  16   5.950  10.000  10.000
  136    H    ARG  17           HN       ARG  17   8.273   8.405   8.405
  137    HA   ARG  17           HA       ARG  17  10.683   9.884   9.884
  138   1HB   ARG  17           HB1      ARG  17   9.547  10.997  10.997
  139   2HB   ARG  17           HB2      ARG  17   9.319  11.755  11.755
  140   1HG   ARG  17           HG1      ARG  17   7.341   9.662   9.662
  141   2HG   ARG  17           HG2      ARG  17   7.282  11.044  11.044
  142   1HD   ARG  17           HD1      ARG  17   7.543  11.661  11.661
  143   2HD   ARG  17           HD2      ARG  17   5.993  11.003  11.003
  144    HE   ARG  17           HE       ARG  17   6.603  13.030  13.030
  145   1HH1  ARG  17          HH11      ARG  17   4.849  12.547  12.547
  146   2HH1  ARG  17          HH12      ARG  17   4.819  14.203  14.203
  147   1HH2  ARG  17          HH21      ARG  17   7.142  15.244  15.244
  148   2HH2  ARG  17          HH22      ARG  17   6.118  15.729  15.729
  149    H    GLY  18           HN       GLY  18  10.401   7.218   7.218
  150   1HA   GLY  18           HA1      GLY  18   9.798   6.416   6.416
  151   2HA   GLY  18           HA2      GLY  18   9.942   5.306   5.306
  152    H    THR  19           HN       THR  19  11.390   4.616   4.616
  153    HA   THR  19           HA       THR  19  14.164   5.570   5.570
  154    HB   THR  19           HB       THR  19  14.368   4.259   4.259
  155    HG1  THR  19           HG1      THR  19  12.005   4.107   4.107
  156   1HG2  THR  19          HG22      THR  19  14.752   6.797   6.797
  157   2HG2  THR  19          HG23      THR  19  13.495   7.063   7.063
  158   3HG2  THR  19          HG21      THR  19  15.021   6.311   6.311
  159    H    ASP  20           HN       ASP  20  12.406   3.319   3.319
  160    HA   ASP  20           HA       ASP  20  14.530   1.420   1.420
  161   1HB   ASP  20           HB1      ASP  20  12.867   1.029   1.029
  162   2HB   ASP  20           HB2      ASP  20  12.594  -0.283  -0.283
  163    H    SER  21           HN       SER  21  13.030   2.745   2.745
  164    HA   SER  21           HA       SER  21  10.714   1.200   1.200
  165   1HB   SER  21           HB1      SER  21  11.119   2.667   2.667
  166   2HB   SER  21           HB2      SER  21  10.516   3.416   3.416
  167    HG   SER  21           HG       SER  21  13.274   3.207   3.207
  168    H    ASN  22           HN       ASN  22  10.958   0.871   0.871
  169    HA   ASN  22           HA       ASN  22  11.776  -0.646  -0.646
  170   1HB   ASN  22           HB1      ASN  22  14.460  -0.182  -0.182
  171   2HB   ASN  22           HB2      ASN  22  14.148  -0.674  -0.674
  172   1HD2  ASN  22          HD22      ASN  22  14.086   2.675   2.675
  173   2HD2  ASN  22          HD21      ASN  22  14.481   1.058   1.058
  174    H    ALA  23           HN       ALA  23  11.206  -1.435  -1.435
  175    HA   ALA  23           HA       ALA  23  12.223  -4.199  -4.199
  176   1HB   ALA  23           HB1      ALA  23  13.687  -2.904  -2.904
  177   2HB   ALA  23           HB2      ALA  23  12.272  -2.641  -2.641
  178   3HB   ALA  23           HB3      ALA  23  12.879  -4.276  -4.276
  179    H    GLU  24           HN       GLU  24  10.062  -2.016  -2.016
  180    HA   GLU  24           HA       GLU  24   8.299  -4.220  -4.220
  181   1HB   GLU  24           HB1      GLU  24   8.025  -1.224  -1.224
  182   2HB   GLU  24           HB2      GLU  24   6.905  -2.415  -2.415
  183   1HG   GLU  24           HG1      GLU  24   9.680  -3.058  -3.058
  184   2HG   GLU  24           HG2      GLU  24   9.220  -1.465  -1.465
  185    H    LEU  25           HN       LEU  25   8.787  -3.084  -3.084
  186    HA   LEU  25           HA       LEU  25   6.180  -2.141  -2.141
  187   1HB   LEU  25           HB1      LEU  25   8.601  -3.193  -3.193
  188   2HB   LEU  25           HB2      LEU  25   7.102  -2.840  -2.840
  189    HG   LEU  25           HG       LEU  25   7.879  -0.696  -0.696
  190   1HD1  LEU  25          HD13      LEU  25  10.130  -1.597  -1.597
  191   2HD1  LEU  25          HD11      LEU  25   9.677  -1.228  -1.228
  192   3HD1  LEU  25          HD12      LEU  25   9.826   0.072   0.072
  193   1HD2  LEU  25          HD22      LEU  25   6.154  -0.613  -0.613
  194   2HD2  LEU  25          HD23      LEU  25   7.358   0.672   0.672
  195   3HD2  LEU  25          HD21      LEU  25   7.469  -0.725  -0.725
  196    H    ARG  26           HN       ARG  26   7.776  -5.148  -5.148
  197    HA   ARG  26           HA       ARG  26   5.347  -6.458  -6.458
  198   1HB   ARG  26           HB1      ARG  26   8.079  -7.058  -7.058
  199   2HB   ARG  26           HB2      ARG  26   7.402  -8.313  -8.313
  200   1HG   ARG  26           HG1      ARG  26   6.702  -9.341  -9.341
  201   2HG   ARG  26           HG2      ARG  26   5.537  -8.030  -8.030
  202   1HD   ARG  26           HD1      ARG  26   8.371  -8.043  -8.043
  203   2HD   ARG  26           HD2      ARG  26   6.906  -8.291  -8.291
  204    HE   ARG  26           HE       ARG  26   6.418  -5.867  -5.867
  205   1HH1  ARG  26          HH21      ARG  26   9.502  -5.817  -5.817
  206   2HH1  ARG  26          HH22      ARG  26   9.884  -4.923  -4.923
  207   1HH2  ARG  26          HH11      ARG  26   6.735  -5.310  -5.310
  208   2HH2  ARG  26          HH12      ARG  26   8.316  -4.633  -4.633
  209    H    ALA  27           HN       ALA  27   7.225  -6.449  -6.449
  210    HA   ALA  27           HA       ALA  27   5.719  -8.434  -8.434
  211   1HB   ALA  27           HB3      ALA  27   7.895  -6.848  -6.848
  212   2HB   ALA  27           HB1      ALA  27   6.649  -6.210  -6.210
  213   3HB   ALA  27           HB2      ALA  27   7.076  -7.920  -7.920
  214    H    MET  28           HN       MET  28   5.229  -4.940  -4.940
  215    HA   MET  28           HA       MET  28   2.990  -4.806  -4.806
  216   1HB   MET  28           HB1      MET  28   4.315  -2.812  -2.812
  217   2HB   MET  28           HB2      MET  28   3.701  -2.971  -2.971
  218   1HG   MET  28           HG1      MET  28   1.726  -2.013  -2.013
  219   2HG   MET  28           HG2      MET  28   1.566  -3.000  -3.000
  220   1HE   MET  28           HE1      MET  28   3.713  -0.450  -0.450
  221   2HE   MET  28           HE2      MET  28   4.151   0.746   0.746
  222   3HE   MET  28           HE3      MET  28   4.926  -0.836  -0.836
  223    H    GLU  29           HN       GLU  29   3.355  -5.990  -5.990
  224    HA   GLU  29           HA       GLU  29   0.725  -5.466  -5.466
  225   1HB   GLU  29           HB1      GLU  29   2.771  -6.310  -6.310
  226   2HB   GLU  29           HB2      GLU  29   2.388  -7.907  -7.907
  227   1HG   GLU  29           HG1      GLU  29   1.286  -7.810  -7.810
  228   2HG   GLU  29           HG2      GLU  29   0.016  -7.521  -7.521
  229    H    ALA  30           HN       ALA  30   2.046  -8.050  -8.050
  230    HA   ALA  30           HA       ALA  30  -0.245  -9.756  -9.756
  231   1HB   ALA  30           HB1      ALA  30   2.255  -9.599  -9.599
  232   2HB   ALA  30           HB2      ALA  30   0.932 -10.091 -10.091
  233   3HB   ALA  30           HB3      ALA  30   1.287 -11.017 -11.017
  234    H    LYS  31           HN       LYS  31   0.528  -6.907  -6.907
  235    HA   LYS  31           HA       LYS  31  -1.727  -7.310  -7.310
  236   1HB   LYS  31           HB1      LYS  31   0.499  -5.372  -5.372
  237   2HB   LYS  31           HB2      LYS  31  -0.989  -4.740  -4.740
  238   1HG   LYS  31           HG1      LYS  31  -0.694  -5.916  -5.916
  239   2HG   LYS  31           HG2      LYS  31  -0.237  -7.380  -7.380
  240   1HD   LYS  31           HD1      LYS  31   1.981  -6.940  -6.940
  241   2HD   LYS  31           HD2      LYS  31   1.765  -5.229  -5.229
  242   1HE   LYS  31           HE1      LYS  31   1.014  -4.795  -4.795
  243   2HE   LYS  31           HE2      LYS  31   1.089  -6.515  -6.515
  244   1HZ   LYS  31           HZ2      LYS  31   3.516  -5.362  -5.362
  245   2HZ   LYS  31           HZ3      LYS  31   3.082  -4.809  -4.809
  246   3HZ   LYS  31           HZ1      LYS  31   3.313  -6.467  -6.467
  247    H    LEU  32           HN       LEU  32  -1.235  -5.941  -5.941
  248    HA   LEU  32           HA       LEU  32  -3.047  -3.792  -3.792
  249   1HB   LEU  32           HB1      LEU  32  -1.537  -4.946  -4.946
  250   2HB   LEU  32           HB2      LEU  32  -3.075  -5.705  -5.705
  251    HG   LEU  32           HG       LEU  32  -3.635  -2.971  -2.971
  252   1HD1  LEU  32          HD11      LEU  32  -1.089  -3.456  -3.456
  253   2HD1  LEU  32          HD12      LEU  32  -2.115  -2.069  -2.069
  254   3HD1  LEU  32          HD13      LEU  32  -1.412  -2.245  -2.245
  255   1HD2  LEU  32          HD23      LEU  32  -4.480  -4.811  -4.811
  256   2HD2  LEU  32          HD21      LEU  32  -4.594  -3.099  -3.099
  257   3HD2  LEU  32          HD22      LEU  32  -3.276  -4.074  -4.074
  258    H    LYS  33           HN       LYS  33  -3.881  -7.100  -7.100
  259    HA   LYS  33           HA       LYS  33  -6.697  -6.626  -6.626
  260   1HB   LYS  33           HB1      LYS  33  -5.331  -9.318  -9.318
  261   2HB   LYS  33           HB2      LYS  33  -6.949  -8.986  -8.986
  262   1HG   LYS  33           HG1      LYS  33  -6.133  -8.560  -8.560
  263   2HG   LYS  33           HG2      LYS  33  -4.974  -7.399  -7.399
  264   1HD   LYS  33           HD1      LYS  33  -3.913  -9.824  -9.824
  265   2HD   LYS  33           HD2      LYS  33  -4.579 -10.202 -10.202
  266   1HE   LYS  33           HE1      LYS  33  -3.314  -8.409  -8.409
  267   2HE   LYS  33           HE2      LYS  33  -2.786  -7.820  -7.820
  268   1HZ   LYS  33           HZ2      LYS  33  -2.167 -10.569 -10.569
  269   2HZ   LYS  33           HZ3      LYS  33  -1.514  -9.676  -9.676
  270   3HZ   LYS  33           HZ1      LYS  33  -1.125  -9.263  -9.263
  271    H    ALA  34           HN       ALA  34  -4.464  -7.020  -7.020
  272    HA   ALA  34           HA       ALA  34  -6.232  -8.421  -8.421
  273   1HB   ALA  34           HB2      ALA  34  -3.762  -8.532  -8.532
  274   2HB   ALA  34           HB3      ALA  34  -3.727  -6.800  -6.800
  275   3HB   ALA  34           HB1      ALA  34  -4.517  -7.898  -7.898
  276    H    GLU  35           HN       GLU  35  -5.637  -5.115  -5.115
  277    HA   GLU  35           HA       GLU  35  -7.079  -4.052  -4.052
  278   1HB   GLU  35           HB1      GLU  35  -5.066  -3.009  -3.009
  279   2HB   GLU  35           HB2      GLU  35  -6.467  -2.256  -2.256
  280   1HG   GLU  35           HG1      GLU  35  -6.212  -0.728  -0.728
  281   2HG   GLU  35           HG2      GLU  35  -7.111  -1.925  -1.925
  282    H    ILE  36           HN       ILE  36  -7.537  -4.414  -4.414
  283    HA   ILE  36           HA       ILE  36  -9.905  -3.003  -3.003
  284    HB   ILE  36           HB       ILE  36 -10.443  -4.656  -4.656
  285   1HG1  ILE  36          HG11      ILE  36  -8.088  -6.227  -6.227
  286   2HG1  ILE  36          HG12      ILE  36  -9.759  -6.630  -6.630
  287   1HG2  ILE  36          HG22      ILE  36  -8.148  -3.074  -3.074
  288   2HG2  ILE  36          HG23      ILE  36  -7.551  -4.630  -4.630
  289   3HG2  ILE  36          HG21      ILE  36  -8.799  -3.772  -3.772
  290   1HD1  ILE  36          HD13      ILE  36  -8.814  -6.317  -6.317
  291   2HD1  ILE  36          HD11      ILE  36  -8.697  -7.857  -7.857
  292   3HD1  ILE  36          HD12      ILE  36 -10.274  -7.115  -7.115
  293    H    GLN  37           HN       GLN  37  -9.470  -6.119  -6.119
  294    HA   GLN  37           HA       GLN  37 -12.123  -7.013  -7.013
  295   1HB   GLN  37           HB1      GLN  37 -10.310  -8.355  -8.355
  296   2HB   GLN  37           HB2      GLN  37  -9.950  -7.126  -7.126
  297   1HG   GLN  37           HG1      GLN  37 -11.977  -7.540  -7.540
  298   2HG   GLN  37           HG2      GLN  37 -12.669  -8.433  -8.433
  299   1HE2  GLN  37          HE22      GLN  37 -10.269 -11.224 -11.224
  300   2HE2  GLN  37          HE21      GLN  37 -10.573 -10.198 -10.198
  301    H    LYS  38           HN       LYS  38 -10.568  -5.259  -5.259
  302    HA   LYS  38           HA       LYS  38 -13.194  -4.311  -4.311
  303   1HB   LYS  38           HB1      LYS  38 -10.477  -4.466  -4.466
  304   2HB   LYS  38           HB2      LYS  38 -11.417  -3.057  -3.057
  305   1HG   LYS  38           HG1      LYS  38 -12.281  -5.958  -5.958
  306   2HG   LYS  38           HG2      LYS  38 -11.833  -4.905  -4.905
  307   1HD   LYS  38           HD1      LYS  38 -13.735  -3.370  -3.370
  308   2HD   LYS  38           HD2      LYS  38 -14.325  -4.955  -4.955
  309   1HE   LYS  38           HE1      LYS  38 -13.491  -4.506  -4.506
  310   2HE   LYS  38           HE2      LYS  38 -15.081  -3.966  -3.966
  311   1HZ   LYS  38           HZ3      LYS  38 -15.234  -6.331  -6.331
  312   2HZ   LYS  38           HZ1      LYS  38 -13.996  -6.700  -6.700
  313   3HZ   LYS  38           HZ2      LYS  38 -15.485  -6.110  -6.110
  314   1HN   NH2  39          1HN       NH2  39 -12.234  -1.568  -1.568
  315   2HN   NH2  39          2HN       NH2  39 -12.605  -3.217  -3.217

  Start of MODEL   20
    1   1H2   SIN   0          1H2       SIN   0  15.949  -0.722  -0.722
    2   2H2   SIN   0          2H2       SIN   0  15.707  -1.270  -1.270
    3   1H3   SIN   0          1H3       SIN   0  14.918   1.429   1.429
    4   2H3   SIN   0          2H3       SIN   0  16.230   1.119   1.119
    5    H    ASP   1           HN       ASP   1  15.740   1.011   1.011
    6    HA   ASP   1           HA       ASP   1  13.269   0.171   0.171
    7   1HB   ASP   1           HB1      ASP   1  15.453   0.356   0.356
    8   2HB   ASP   1           HB2      ASP   1  15.194   2.099   2.099
    9    H    TRP   2           HN       TRP   2  14.398   3.430   3.430
   10    HA   TRP   2           HA       TRP   2  12.325   4.918   4.918
   11   1HB   TRP   2           HB1      TRP   2  12.908   6.692   6.692
   12   2HB   TRP   2           HB2      TRP   2  14.401   5.832   5.832
   13    HD1  TRP   2           HD1      TRP   2  15.158   3.935   3.935
   14    HE1  TRP   2           HE1      TRP   2  14.950   3.940   3.940
   15    HE3  TRP   2           HE3      TRP   2  11.550   7.484   7.484
   16    HZ2  TRP   2           HZ2      TRP   2  13.423   5.284   5.284
   17    HZ3  TRP   2           HZ3      TRP   2  10.728   8.111   8.111
   18    HH2  TRP   2           HH2      TRP   2  11.661   7.015   7.015
   19    H    LEU   3           HN       LEU   3  12.465   3.345   3.345
   20    HA   LEU   3           HA       LEU   3  10.109   4.312   4.312
   21   1HB   LEU   3           HB1      LEU   3  11.693   1.822   1.822
   22   2HB   LEU   3           HB2      LEU   3  10.024   1.722   1.722
   23    HG   LEU   3           HG       LEU   3  11.300   4.205   4.205
   24   1HD1  LEU   3          HD12      LEU   3  12.907   1.811   1.811
   25   2HD1  LEU   3          HD13      LEU   3  12.493   2.335   2.335
   26   3HD1  LEU   3          HD11      LEU   3  13.313   3.442   3.442
   27   1HD2  LEU   3          HD23      LEU   3   9.576   2.052   2.052
   28   2HD2  LEU   3          HD21      LEU   3   9.531   3.783   3.783
   29   3HD2  LEU   3          HD22      LEU   3  10.651   2.746   2.746
   30    H    LYS   4           HN       LYS   4  10.465   2.057   2.057
   31    HA   LYS   4           HA       LYS   4   7.841   0.923   0.923
   32   1HB   LYS   4           HB1      LYS   4  10.050   0.591   0.591
   33   2HB   LYS   4           HB2      LYS   4   8.969   1.464   1.464
   34   1HG   LYS   4           HG1      LYS   4   8.066  -0.580  -0.580
   35   2HG   LYS   4           HG2      LYS   4   7.269  -0.373  -0.373
   36   1HD   LYS   4           HD1      LYS   4   8.381  -2.190  -2.190
   37   2HD   LYS   4           HD2      LYS   4   9.885  -1.282  -1.282
   38   1HE   LYS   4           HE1      LYS   4   9.870  -3.451  -3.451
   39   2HE   LYS   4           HE2      LYS   4  10.144  -2.039  -2.039
   40   1HZ   LYS   4           HZ1      LYS   4   7.378  -2.865  -2.865
   41   2HZ   LYS   4           HZ2      LYS   4   8.340  -3.868  -3.868
   42   3HZ   LYS   4           HZ3      LYS   4   8.129  -2.232  -2.232
   43    H    ALA   5           HN       ALA   5   9.129   3.825   3.825
   44    HA   ALA   5           HA       ALA   5   6.557   4.580   4.580
   45   1HB   ALA   5           HB3      ALA   5   9.274   5.826   5.826
   46   2HB   ALA   5           HB1      ALA   5   7.899   6.859   6.859
   47   3HB   ALA   5           HB2      ALA   5   8.304   5.493   5.493
   48    H    ARG   6           HN       ARG   6   8.326   5.325   5.325
   49    HA   ARG   6           HA       ARG   6   6.403   7.402   7.402
   50   1HB   ARG   6           HB1      ARG   6   7.840   7.951   7.951
   51   2HB   ARG   6           HB2      ARG   6   8.968   7.290   7.290
   52   1HG   ARG   6           HG1      ARG   6   9.647   5.983   5.983
   53   2HG   ARG   6           HG2      ARG   6   8.226   5.020   5.020
   54   1HD   ARG   6           HD1      ARG   6   7.436   7.253   7.253
   55   2HD   ARG   6           HD2      ARG   6   8.750   6.380   6.380
   56    HE   ARG   6           HE       ARG   6   6.809   4.507   4.507
   57   1HH1  ARG   6          HH21      ARG   6   7.842   6.435   6.435
   58   2HH1  ARG   6          HH22      ARG   6   6.560   5.948   5.948
   59   1HH2  ARG   6          HH11      ARG   6   4.920   4.079   4.079
   60   2HH2  ARG   6          HH12      ARG   6   4.907   4.613   4.613
   61    H    VAL   7           HN       VAL   7   6.415   4.065   4.065
   62    HA   VAL   7           HA       VAL   7   4.990   3.862   3.862
   63    HB   VAL   7           HB       VAL   7   5.961   1.875   1.875
   64   1HG1  VAL   7          HG11      VAL   7   3.917   1.460   1.460
   65   2HG1  VAL   7          HG12      VAL   7   4.940   0.140   0.140
   66   3HG1  VAL   7          HG13      VAL   7   3.839   0.943   0.943
   67   1HG2  VAL   7          HG21      VAL   7   7.318   2.873   2.873
   68   2HG2  VAL   7          HG22      VAL   7   7.358   1.129   1.129
   69   3HG2  VAL   7          HG23      VAL   7   6.322   1.813   1.813
   70    H    GLU   8           HN       GLU   8   4.336   3.710   3.710
   71    HA   GLU   8           HA       GLU   8   1.614   2.820   2.820
   72   1HB   GLU   8           HB1      GLU   8   3.108   4.363   4.363
   73   2HB   GLU   8           HB2      GLU   8   1.417   3.893   3.893
   74   1HG   GLU   8           HG1      GLU   8   1.984   1.550   1.550
   75   2HG   GLU   8           HG2      GLU   8   3.650   1.939   1.939
   76    H    GLN   9           HN       GLN   9   2.940   6.109   6.109
   77    HA   GLN   9           HA       GLN   9   0.435   7.444   7.444
   78   1HB   GLN   9           HB1      GLN   9   1.777   9.477   9.477
   79   2HB   GLN   9           HB2      GLN   9   2.453   8.500   8.500
   80   1HG   GLN   9           HG1      GLN   9   4.158   7.609   7.609
   81   2HG   GLN   9           HG2      GLN   9   3.412   8.384   8.384
   82   1HE2  GLN   9          HE22      GLN   9   5.897  10.884  10.884
   83   2HE2  GLN   9          HE21      GLN   9   5.563   9.516   9.516
   84    H    GLU  10           HN       GLU  10   2.407   5.919   5.919
   85    HA   GLU  10           HA       GLU  10   1.542   7.582   7.582
   86   1HB   GLU  10           HB1      GLU  10   3.741   6.217   6.217
   87   2HB   GLU  10           HB2      GLU  10   2.744   4.833   4.833
   88   1HG   GLU  10           HG1      GLU  10   2.354   7.244   7.244
   89   2HG   GLU  10           HG2      GLU  10   3.949   6.502   6.502
   90    H    LEU  11           HN       LEU  11   0.908   4.225   4.225
   91    HA   LEU  11           HA       LEU  11  -1.085   3.721   3.721
   92   1HB   LEU  11           HB1      LEU  11  -0.644   2.441   2.441
   93   2HB   LEU  11           HB2      LEU  11  -1.723   1.807   1.807
   94    HG   LEU  11           HG       LEU  11   1.234   2.323   2.323
   95   1HD1  LEU  11          HD11      LEU  11   0.220   0.380   0.380
   96   2HD1  LEU  11          HD12      LEU  11   0.227  -0.453  -0.453
   97   3HD1  LEU  11          HD13      LEU  11   1.723   0.222   0.222
   98   1HD2  LEU  11          HD22      LEU  11  -0.814   2.018   2.018
   99   2HD2  LEU  11          HD23      LEU  11   0.882   1.655   1.655
  100   3HD2  LEU  11          HD21      LEU  11  -0.218   0.367   0.367
  101    H    GLN  12           HN       GLN  12  -1.186   5.331   5.331
  102    HA   GLN  12           HA       GLN  12  -3.908   5.113   5.113
  103   1HB   GLN  12           HB1      GLN  12  -3.653   7.216   7.216
  104   2HB   GLN  12           HB2      GLN  12  -2.154   6.301   6.301
  105   1HG   GLN  12           HG1      GLN  12  -1.191   8.253   8.253
  106   2HG   GLN  12           HG2      GLN  12  -1.651   7.678   7.678
  107   1HE2  GLN  12          HE22      GLN  12  -3.097  11.157  11.157
  108   2HE2  GLN  12          HE21      GLN  12  -1.598  10.491  10.491
  109    H    ALA  13           HN       ALA  13  -2.450   6.692   6.692
  110    HA   ALA  13           HA       ALA  13  -4.438   8.647   8.647
  111   1HB   ALA  13           HB2      ALA  13  -2.080   7.836   7.836
  112   2HB   ALA  13           HB3      ALA  13  -3.275   7.280   7.280
  113   3HB   ALA  13           HB1      ALA  13  -3.210   8.983   8.983
  114    H    LEU  14           HN       LEU  14  -4.115   5.285   5.285
  115    HA   LEU  14           HA       LEU  14  -6.695   5.367   5.367
  116   1HB   LEU  14           HB1      LEU  14  -6.334   3.001   3.001
  117   2HB   LEU  14           HB2      LEU  14  -4.809   3.850   3.850
  118    HG   LEU  14           HG       LEU  14  -5.114   3.056   3.056
  119   1HD1  LEU  14          HD12      LEU  14  -6.477   1.248   1.248
  120   2HD1  LEU  14          HD13      LEU  14  -5.042   0.813   0.813
  121   3HD1  LEU  14          HD11      LEU  14  -5.039   0.653   0.653
  122   1HD2  LEU  14          HD23      LEU  14  -3.140   2.552   2.552
  123   2HD2  LEU  14          HD21      LEU  14  -2.961   3.632   3.632
  124   3HD2  LEU  14          HD22      LEU  14  -2.915   1.885   1.885
  125    H    GLU  15           HN       GLU  15  -5.624   4.716   4.716
  126    HA   GLU  15           HA       GLU  15  -8.146   3.332   3.332
  127   1HB   GLU  15           HB1      GLU  15  -5.908   2.626   2.626
  128   2HB   GLU  15           HB2      GLU  15  -5.879   4.151   4.151
  129   1HG   GLU  15           HG1      GLU  15  -8.437   2.827   2.827
  130   2HG   GLU  15           HG2      GLU  15  -7.119   1.751   1.751
  131    H    ALA  16           HN       ALA  16  -7.131   6.486   6.486
  132    HA   ALA  16           HA       ALA  16  -8.510   7.614   7.614
  133   1HB   ALA  16           HB3      ALA  16  -6.947   8.660   8.660
  134   2HB   ALA  16           HB1      ALA  16  -8.146   9.745   9.745
  135   3HB   ALA  16           HB2      ALA  16  -6.855   9.090   9.090
  136    H    ARG  17           HN       ARG  17  -9.352   6.620   6.620
  137    HA   ARG  17           HA       ARG  17 -12.146   7.135   7.135
  138   1HB   ARG  17           HB1      ARG  17 -12.441   8.852   8.852
  139   2HB   ARG  17           HB2      ARG  17 -11.546   9.463   9.463
  140   1HG   ARG  17           HG1      ARG  17  -9.659   9.770   9.770
  141   2HG   ARG  17           HG2      ARG  17  -9.829   8.212   8.212
  142   1HD   ARG  17           HD1      ARG  17 -10.410   9.381   9.381
  143   2HD   ARG  17           HD2      ARG  17 -11.931   9.731   9.731
  144    HE   ARG  17           HE       ARG  17 -10.033  11.694  11.694
  145   1HH1  ARG  17          HH11      ARG  17  -8.867  12.258  12.258
  146   2HH1  ARG  17          HH12      ARG  17 -10.043  12.976  12.976
  147   1HH2  ARG  17          HH21      ARG  17 -12.760  11.849  11.849
  148   2HH2  ARG  17          HH22      ARG  17 -12.248  12.745  12.745
  149    H    GLY  18           HN       GLY  18 -11.936   4.857   4.857
  150   1HA   GLY  18           HA1      GLY  18 -11.713   4.601   4.601
  151   2HA   GLY  18           HA2      GLY  18 -11.136   3.346   3.346
  152    H    THR  19           HN       THR  19 -12.767   2.145   2.145
  153    HA   THR  19           HA       THR  19 -15.582   2.548   2.548
  154    HB   THR  19           HB       THR  19 -15.810   0.483   0.483
  155    HG1  THR  19           HG1      THR  19 -13.368   0.388   0.388
  156   1HG2  THR  19          HG22      THR  19 -16.122   3.144   3.144
  157   2HG2  THR  19          HG23      THR  19 -14.824   2.859   2.859
  158   3HG2  THR  19          HG21      THR  19 -16.350   1.988   1.988
  159    H    ASP  20           HN       ASP  20 -14.706  -0.683  -0.683
  160    HA   ASP  20           HA       ASP  20 -15.401  -1.400  -1.400
  161   1HB   ASP  20           HB1      ASP  20 -14.969  -3.054  -3.054
  162   2HB   ASP  20           HB2      ASP  20 -15.329  -3.754  -3.754
  163    H    SER  21           HN       SER  21 -13.018  -0.147  -0.147
  164    HA   SER  21           HA       SER  21 -10.833  -2.069  -2.069
  165   1HB   SER  21           HB1      SER  21 -11.062   0.816   0.816
  166   2HB   SER  21           HB2      SER  21  -9.612  -0.074  -0.074
  167    HG   SER  21           HG       SER  21  -9.818  -0.794  -0.794
  168    H    ASN  22           HN       ASN  22 -13.170  -2.308  -2.308
  169    HA   ASN  22           HA       ASN  22 -11.669  -2.246  -2.246
  170   1HB   ASN  22           HB1      ASN  22 -14.484  -3.268  -3.268
  171   2HB   ASN  22           HB2      ASN  22 -13.757  -2.651  -2.651
  172   1HD2  ASN  22          HD22      ASN  22 -14.240   0.773   0.773
  173   2HD2  ASN  22          HD21      ASN  22 -13.389  -0.288  -0.288
  174    H    ALA  23           HN       ALA  23 -11.136  -4.161  -4.161
  175    HA   ALA  23           HA       ALA  23 -11.362  -6.664  -6.664
  176   1HB   ALA  23           HB2      ALA  23 -12.157  -6.079  -6.079
  177   2HB   ALA  23           HB3      ALA  23 -11.135  -7.509  -7.509
  178   3HB   ALA  23           HB1      ALA  23 -12.648  -7.407  -7.407
  179    H    GLU  24           HN       GLU  24  -9.537  -5.024  -5.024
  180    HA   GLU  24           HA       GLU  24  -7.286  -6.767  -6.767
  181   1HB   GLU  24           HB1      GLU  24  -7.728  -3.942  -3.942
  182   2HB   GLU  24           HB2      GLU  24  -6.093  -4.602  -4.602
  183   1HG   GLU  24           HG1      GLU  24  -8.260  -6.241  -6.241
  184   2HG   GLU  24           HG2      GLU  24  -7.613  -4.869  -4.869
  185    H    LEU  25           HN       LEU  25  -8.405  -4.526  -4.526
  186    HA   LEU  25           HA       LEU  25  -6.193  -3.332  -3.332
  187   1HB   LEU  25           HB1      LEU  25  -8.656  -4.569  -4.569
  188   2HB   LEU  25           HB2      LEU  25  -7.367  -4.101  -4.101
  189    HG   LEU  25           HG       LEU  25  -7.876  -2.050  -2.050
  190   1HD1  LEU  25          HD11      LEU  25 -10.182  -3.317  -3.317
  191   2HD1  LEU  25          HD12      LEU  25 -10.097  -2.206  -2.206
  192   3HD1  LEU  25          HD13      LEU  25 -10.097  -1.578  -1.578
  193   1HD2  LEU  25          HD23      LEU  25  -7.820  -2.222  -2.222
  194   2HD2  LEU  25          HD21      LEU  25  -6.607  -1.517  -1.517
  195   3HD2  LEU  25          HD22      LEU  25  -8.162  -0.715  -0.715
  196    H    ARG  26           HN       ARG  26  -7.082  -6.762  -6.762
  197    HA   ARG  26           HA       ARG  26  -4.964  -7.450  -7.450
  198   1HB   ARG  26           HB1      ARG  26  -6.294  -9.296  -9.296
  199   2HB   ARG  26           HB2      ARG  26  -5.533  -9.737  -9.737
  200   1HG   ARG  26           HG1      ARG  26  -7.777  -7.756  -7.756
  201   2HG   ARG  26           HG2      ARG  26  -8.174  -9.458  -9.458
  202   1HD   ARG  26           HD1      ARG  26  -8.099  -9.578  -9.578
  203   2HD   ARG  26           HD2      ARG  26  -6.349  -9.583  -9.583
  204    HE   ARG  26           HE       ARG  26  -6.286  -7.312  -7.312
  205   1HH1  ARG  26          HH21      ARG  26  -9.484  -8.305  -8.305
  206   2HH1  ARG  26          HH22      ARG  26 -10.248  -7.055  -7.055
  207   1HH2  ARG  26          HH11      ARG  26  -7.267  -5.765  -5.765
  208   2HH2  ARG  26          HH12      ARG  26  -8.992  -5.616  -5.616
  209    H    ALA  27           HN       ALA  27  -5.293  -7.698  -7.698
  210    HA   ALA  27           HA       ALA  27  -2.626  -8.717  -8.717
  211   1HB   ALA  27           HB1      ALA  27  -4.701  -7.506  -7.506
  212   2HB   ALA  27           HB2      ALA  27  -3.078  -7.849  -7.849
  213   3HB   ALA  27           HB3      ALA  27  -4.085  -9.158  -9.158
  214    H    MET  28           HN       MET  28  -3.722  -5.710  -5.710
  215    HA   MET  28           HA       MET  28  -1.854  -4.025  -4.025
  216   1HB   MET  28           HB1      MET  28  -3.978  -3.208  -3.208
  217   2HB   MET  28           HB2      MET  28  -3.219  -3.469  -3.469
  218   1HG   MET  28           HG1      MET  28  -1.286  -1.999  -1.999
  219   2HG   MET  28           HG2      MET  28  -2.529  -1.461  -1.461
  220   1HE   MET  28           HE2      MET  28  -1.837  -2.382  -2.382
  221   2HE   MET  28           HE3      MET  28  -0.988  -0.839  -0.839
  222   3HE   MET  28           HE1      MET  28  -2.416  -1.042  -1.042
  223    H    GLU  29           HN       GLU  29  -1.893  -5.526  -5.526
  224    HA   GLU  29           HA       GLU  29   0.646  -4.418  -4.418
  225   1HB   GLU  29           HB1      GLU  29  -1.116  -6.647  -6.647
  226   2HB   GLU  29           HB2      GLU  29   0.532  -6.523  -6.523
  227   1HG   GLU  29           HG1      GLU  29  -0.632  -3.907  -3.907
  228   2HG   GLU  29           HG2      GLU  29  -1.762  -5.016  -5.016
  229    H    ALA  30           HN       ALA  30  -0.321  -7.377  -7.377
  230    HA   ALA  30           HA       ALA  30   2.212  -8.688  -8.688
  231   1HB   ALA  30           HB2      ALA  30  -0.038  -8.867  -8.867
  232   2HB   ALA  30           HB3      ALA  30   1.337  -9.971  -9.971
  233   3HB   ALA  30           HB1      ALA  30   0.203  -9.908  -9.908
  234    H    LYS  31           HN       LYS  31   0.724  -6.820  -6.820
  235    HA   LYS  31           HA       LYS  31   3.060  -6.801  -6.801
  236   1HB   LYS  31           HB1      LYS  31   1.963  -5.106  -5.106
  237   2HB   LYS  31           HB2      LYS  31   0.697  -6.183  -6.183
  238   1HG   LYS  31           HG1      LYS  31   0.621  -4.498  -4.498
  239   2HG   LYS  31           HG2      LYS  31   1.377  -3.393  -3.393
  240   1HD   LYS  31           HD1      LYS  31  -0.520  -4.146  -4.146
  241   2HD   LYS  31           HD2      LYS  31  -1.323  -4.726  -4.726
  242   1HE   LYS  31           HE1      LYS  31  -1.108  -2.459  -2.459
  243   2HE   LYS  31           HE2      LYS  31  -0.363  -1.891  -1.891
  244   1HZ   LYS  31           HZ2      LYS  31  -2.830  -3.286  -3.286
  245   2HZ   LYS  31           HZ3      LYS  31  -3.023  -1.904  -1.904
  246   3HZ   LYS  31           HZ1      LYS  31  -2.329  -1.767  -1.767
  247    H    LEU  32           HN       LEU  32   2.343  -5.130  -5.130
  248    HA   LEU  32           HA       LEU  32   3.736  -2.698  -2.698
  249   1HB   LEU  32           HB1      LEU  32   2.408  -3.453  -3.453
  250   2HB   LEU  32           HB2      LEU  32   3.807  -4.422  -4.422
  251    HG   LEU  32           HG       LEU  32   5.008  -2.032  -2.032
  252   1HD1  LEU  32          HD11      LEU  32   2.151  -1.506  -1.506
  253   2HD1  LEU  32          HD12      LEU  32   3.439  -0.395  -0.395
  254   3HD1  LEU  32          HD13      LEU  32   3.113  -0.702  -0.702
  255   1HD2  LEU  32          HD23      LEU  32   4.786  -3.652  -3.652
  256   2HD2  LEU  32          HD21      LEU  32   5.381  -2.002  -2.002
  257   3HD2  LEU  32          HD22      LEU  32   3.702  -2.382  -2.382
  258    H    LYS  33           HN       LYS  33   5.158  -5.470  -5.470
  259    HA   LYS  33           HA       LYS  33   7.840  -4.566  -4.566
  260   1HB   LYS  33           HB1      LYS  33   8.486  -6.795  -6.795
  261   2HB   LYS  33           HB2      LYS  33   7.340  -5.929  -5.929
  262   1HG   LYS  33           HG1      LYS  33   5.913  -7.494  -7.494
  263   2HG   LYS  33           HG2      LYS  33   7.048  -8.523  -8.523
  264   1HD   LYS  33           HD1      LYS  33   5.468  -6.589  -6.589
  265   2HD   LYS  33           HD2      LYS  33   4.586  -7.956  -7.956
  266   1HE   LYS  33           HE1      LYS  33   5.731  -8.213  -8.213
  267   2HE   LYS  33           HE2      LYS  33   5.864  -9.528  -9.528
  268   1HZ   LYS  33           HZ1      LYS  33   7.880  -7.372  -7.372
  269   2HZ   LYS  33           HZ2      LYS  33   7.984  -8.749  -8.749
  270   3HZ   LYS  33           HZ3      LYS  33   8.024  -8.910  -8.910
  271    H    ALA  34           HN       ALA  34   5.627  -6.012  -6.012
  272    HA   ALA  34           HA       ALA  34   7.516  -7.709  -7.709
  273   1HB   ALA  34           HB2      ALA  34   4.809  -7.732  -7.732
  274   2HB   ALA  34           HB3      ALA  34   5.001  -6.853  -6.853
  275   3HB   ALA  34           HB1      ALA  34   5.686  -8.468  -8.468
  276    H    GLU  35           HN       GLU  35   6.327  -4.421  -4.421
  277    HA   GLU  35           HA       GLU  35   7.483  -3.989  -3.989
  278   1HB   GLU  35           HB1      GLU  35   5.337  -2.878  -2.878
  279   2HB   GLU  35           HB2      GLU  35   6.437  -1.838  -1.838
  280   1HG   GLU  35           HG1      GLU  35   7.443  -1.011  -1.011
  281   2HG   GLU  35           HG2      GLU  35   6.634  -2.235  -2.235
  282    H    ILE  36           HN       ILE  36   8.204  -3.270  -3.270
  283    HA   ILE  36           HA       ILE  36  10.193  -1.351  -1.351
  284    HB   ILE  36           HB       ILE  36  11.254  -2.436  -2.436
  285   1HG1  ILE  36          HG11      ILE  36   9.689  -4.582  -4.582
  286   2HG1  ILE  36          HG12      ILE  36   9.779  -4.748  -4.748
  287   1HG2  ILE  36          HG21      ILE  36   8.397  -1.838  -1.838
  288   2HG2  ILE  36          HG22      ILE  36   8.746  -2.907  -2.907
  289   3HG2  ILE  36          HG23      ILE  36   9.532  -1.332  -1.332
  290   1HD1  ILE  36          HD11      ILE  36  12.386  -4.106  -4.106
  291   2HD1  ILE  36          HD12      ILE  36  11.845  -5.202  -5.202
  292   3HD1  ILE  36          HD13      ILE  36  11.797  -5.715  -5.715
  293    H    GLN  37           HN       GLN  37  10.409  -4.735  -4.735
  294    HA   GLN  37           HA       GLN  37  13.180  -5.049  -5.049
  295   1HB   GLN  37           HB1      GLN  37  10.971  -6.032  -6.032
  296   2HB   GLN  37           HB2      GLN  37  12.638  -6.608  -6.608
  297   1HG   GLN  37           HG1      GLN  37  12.457  -7.342  -7.342
  298   2HG   GLN  37           HG2      GLN  37  10.790  -6.768  -6.768
  299   1HE2  GLN  37          HE22      GLN  37  11.646 -10.351 -10.351
  300   2HE2  GLN  37          HE21      GLN  37  12.868  -9.379  -9.379
  301    H    LYS  38           HN       LYS  38  11.053  -4.123  -4.123
  302    HA   LYS  38           HA       LYS  38  13.312  -2.483  -2.483
  303   1HB   LYS  38           HB1      LYS  38  11.569  -4.452  -4.452
  304   2HB   LYS  38           HB2      LYS  38  11.704  -2.930  -2.930
  305   1HG   LYS  38           HG1      LYS  38  14.205  -3.113  -3.113
  306   2HG   LYS  38           HG2      LYS  38  13.978  -4.715  -4.715
  307   1HD   LYS  38           HD1      LYS  38  12.472  -4.374  -4.374
  308   2HD   LYS  38           HD2      LYS  38  14.203  -4.131  -4.131
  309   1HE   LYS  38           HE1      LYS  38  12.826  -6.553  -6.553
  310   2HE   LYS  38           HE2      LYS  38  13.776  -6.483  -6.483
  311   1HZ   LYS  38           HZ1      LYS  38  15.530  -5.543  -5.543
  312   2HZ   LYS  38           HZ2      LYS  38  14.656  -6.606  -6.606
  313   3HZ   LYS  38           HZ3      LYS  38  15.409  -7.182  -7.182
  314   1HN   NH2  39          1HN       NH2  39  10.673  -0.241  -0.241
  315   2HN   NH2  39          2HN       NH2  39  12.354  -0.478  -0.478

  Start of MODEL   21
    1   1H2   SIN   0          1H2       SIN   0 -16.181  -0.215  -0.215
    2   2H2   SIN   0          2H2       SIN   0 -14.881  -1.268  -1.268
    3   1H3   SIN   0          1H3       SIN   0 -13.794  -1.126  -1.126
    4   2H3   SIN   0          2H3       SIN   0 -15.112  -0.122  -0.122
    5    H    ASP   1           HN       ASP   1 -12.591  -0.043  -0.043
    6    HA   ASP   1           HA       ASP   1 -12.787   1.454   1.454
    7   1HB   ASP   1           HB1      ASP   1 -15.210   1.340   1.340
    8   2HB   ASP   1           HB2      ASP   1 -15.169   2.447   2.447
    9    H    TRP   2           HN       TRP   2 -14.112   3.894   3.894
   10    HA   TRP   2           HA       TRP   2 -12.204   5.826   5.826
   11   1HB   TRP   2           HB1      TRP   2 -12.936   6.947   6.947
   12   2HB   TRP   2           HB2      TRP   2 -14.338   6.072   6.072
   13    HD1  TRP   2           HD1      TRP   2 -14.829   3.669   3.669
   14    HE1  TRP   2           HE1      TRP   2 -14.467   2.863   2.863
   15    HE3  TRP   2           HE3      TRP   2 -11.504   7.184   7.184
   16    HZ2  TRP   2           HZ2      TRP   2 -12.937   3.628   3.628
   17    HZ3  TRP   2           HZ3      TRP   2 -10.602   7.131   7.131
   18    HH2  TRP   2           HH2      TRP   2 -11.316   5.357   5.357
   19    H    LEU   3           HN       LEU   3 -12.049   3.194   3.194
   20    HA   LEU   3           HA       LEU   3  -9.771   4.014   4.014
   21   1HB   LEU   3           HB1      LEU   3 -11.091   1.408   1.408
   22   2HB   LEU   3           HB2      LEU   3  -9.435   1.346   1.346
   23    HG   LEU   3           HG       LEU   3 -10.971   3.297   3.297
   24   1HD1  LEU   3          HD12      LEU   3 -12.824   1.708   1.708
   25   2HD1  LEU   3          HD13      LEU   3 -12.022   0.468   0.468
   26   3HD1  LEU   3          HD11      LEU   3 -12.656   1.917   1.917
   27   1HD2  LEU   3          HD23      LEU   3  -9.177   0.995   0.995
   28   2HD2  LEU   3          HD21      LEU   3  -9.242   2.539   2.539
   29   3HD2  LEU   3          HD22      LEU   3 -10.351   1.242   1.242
   30    H    LYS   4           HN       LYS   4  -9.950   2.032   2.032
   31    HA   LYS   4           HA       LYS   4  -7.230   1.496   1.496
   32   1HB   LYS   4           HB1      LYS   4  -9.550   1.821   1.821
   33   2HB   LYS   4           HB2      LYS   4  -7.995   2.133   2.133
   34   1HG   LYS   4           HG1      LYS   4  -7.184  -0.036  -0.036
   35   2HG   LYS   4           HG2      LYS   4  -8.453  -0.314  -0.314
   36   1HD   LYS   4           HD1      LYS   4 -10.140  -0.291  -0.291
   37   2HD   LYS   4           HD2      LYS   4  -8.849  -0.059  -0.059
   38   1HE   LYS   4           HE1      LYS   4  -7.812  -2.203  -2.203
   39   2HE   LYS   4           HE2      LYS   4  -9.391  -2.466  -2.466
   40   1HZ   LYS   4           HZ2      LYS   4  -9.636  -1.762  -1.762
   41   2HZ   LYS   4           HZ3      LYS   4  -8.646  -3.130  -3.130
   42   3HZ   LYS   4           HZ1      LYS   4 -10.221  -3.133  -3.133
   43    H    ALA   5           HN       ALA   5  -8.930   4.538   4.538
   44    HA   ALA   5           HA       ALA   5  -6.651   5.883   5.883
   45   1HB   ALA   5           HB1      ALA   5  -9.322   6.417   6.417
   46   2HB   ALA   5           HB2      ALA   5  -8.753   7.509   7.509
   47   3HB   ALA   5           HB3      ALA   5  -8.092   7.626   7.626
   48    H    ARG   6           HN       ARG   6  -8.072   5.620   5.620
   49    HA   ARG   6           HA       ARG   6  -6.071   7.464   7.464
   50   1HB   ARG   6           HB1      ARG   6  -7.273   7.322   7.322
   51   2HB   ARG   6           HB2      ARG   6  -8.496   7.357   7.357
   52   1HG   ARG   6           HG1      ARG   6  -9.322   5.473   5.473
   53   2HG   ARG   6           HG2      ARG   6  -7.918   4.647   4.647
   54   1HD   ARG   6           HD1      ARG   6  -6.852   5.772   5.772
   55   2HD   ARG   6           HD2      ARG   6  -8.495   5.410   5.410
   56    HE   ARG   6           HE       ARG   6  -7.331   3.155   3.155
   57   1HH1  ARG   6          HH21      ARG   6  -6.948   5.005   5.005
   58   2HH1  ARG   6          HH22      ARG   6  -6.692   3.628   3.628
   59   1HH2  ARG   6          HH11      ARG   6  -7.184   1.322   1.322
   60   2HH2  ARG   6          HH12      ARG   6  -6.823   1.543   1.543
   61    H    VAL   7           HN       VAL   7  -5.882   4.374   4.374
   62    HA   VAL   7           HA       VAL   7  -4.471   3.317   3.317
   63    HB   VAL   7           HB       VAL   7  -4.988   2.083   2.083
   64   1HG1  VAL   7          HG12      VAL   7  -3.304   1.312   1.312
   65   2HG1  VAL   7          HG13      VAL   7  -4.543   0.098   0.098
   66   3HG1  VAL   7          HG11      VAL   7  -3.430   0.583   0.583
   67   1HG2  VAL   7          HG22      VAL   7  -6.759   2.583   2.583
   68   2HG2  VAL   7          HG23      VAL   7  -6.999   1.423   1.423
   69   3HG2  VAL   7          HG21      VAL   7  -6.291   0.897   0.897
   70    H    GLU   8           HN       GLU   8  -3.766   4.110   4.110
   71    HA   GLU   8           HA       GLU   8  -1.032   3.453   3.453
   72   1HB   GLU   8           HB1      GLU   8  -0.856   5.319   5.319
   73   2HB   GLU   8           HB2      GLU   8  -2.082   4.093   4.093
   74   1HG   GLU   8           HG1      GLU   8  -3.791   5.570   5.570
   75   2HG   GLU   8           HG2      GLU   8  -3.027   6.341   6.341
   76    H    GLN   9           HN       GLN   9  -2.646   6.125   6.125
   77    HA   GLN   9           HA       GLN   9  -0.326   7.794   7.794
   78   1HB   GLN   9           HB1      GLN   9  -2.911   7.623   7.623
   79   2HB   GLN   9           HB2      GLN   9  -1.690   8.874   8.874
   80   1HG   GLN   9           HG1      GLN   9  -2.666   8.384   8.384
   81   2HG   GLN   9           HG2      GLN   9  -3.736   9.240   9.240
   82   1HE2  GLN   9          HE22      GLN   9  -1.418  12.023  12.023
   83   2HE2  GLN   9          HE21      GLN   9  -2.482  11.080  11.080
   84    H    GLU  10           HN       GLU  10  -1.876   5.340   5.340
   85    HA   GLU  10           HA       GLU  10  -0.118   5.632   5.632
   86   1HB   GLU  10           HB1      GLU  10  -1.847   3.382   3.382
   87   2HB   GLU  10           HB2      GLU  10  -0.797   3.152   3.152
   88   1HG   GLU  10           HG1      GLU  10  -1.861   5.264   5.264
   89   2HG   GLU  10           HG2      GLU  10  -3.055   5.143   5.143
   90    H    LEU  11           HN       LEU  11  -0.061   3.151   3.151
   91    HA   LEU  11           HA       LEU  11   2.428   2.014   2.014
   92   1HB   LEU  11           HB1      LEU  11   1.361   2.276   2.276
   93   2HB   LEU  11           HB2      LEU  11   2.467   1.045   1.045
   94    HG   LEU  11           HG       LEU  11   0.063   1.155   1.155
   95   1HD1  LEU  11          HD11      LEU  11  -0.437   1.750   1.750
   96   2HD1  LEU  11          HD12      LEU  11  -0.739   0.016   0.016
   97   3HD1  LEU  11          HD13      LEU  11  -1.610   1.136   1.136
   98   1HD2  LEU  11          HD23      LEU  11   1.891  -0.741  -0.741
   99   2HD2  LEU  11          HD21      LEU  11   0.835  -0.957  -0.957
  100   3HD2  LEU  11          HD22      LEU  11   0.221  -1.262  -1.262
  101    H    GLN  12           HN       GLN  12   1.679   4.866   4.866
  102    HA   GLN  12           HA       GLN  12   4.344   5.244   5.244
  103   1HB   GLN  12           HB1      GLN  12   1.849   6.846   6.846
  104   2HB   GLN  12           HB2      GLN  12   3.349   7.763   7.763
  105   1HG   GLN  12           HG1      GLN  12   3.780   5.836   5.836
  106   2HG   GLN  12           HG2      GLN  12   2.024   5.969   5.969
  107   1HE2  GLN  12          HE22      GLN  12   4.368   9.010   9.010
  108   2HE2  GLN  12          HE21      GLN  12   5.057   7.669   7.669
  109    H    ALA  13           HN       ALA  13   2.737   6.154   6.154
  110    HA   ALA  13           HA       ALA  13   4.636   8.083   8.083
  111   1HB   ALA  13           HB1      ALA  13   2.355   7.558   7.558
  112   2HB   ALA  13           HB2      ALA  13   3.107   6.152   6.152
  113   3HB   ALA  13           HB3      ALA  13   3.662   7.775   7.775
  114    H    LEU  14           HN       LEU  14   4.620   4.557   4.557
  115    HA   LEU  14           HA       LEU  14   6.856   4.298   4.298
  116   1HB   LEU  14           HB1      LEU  14   5.426   2.475   2.475
  117   2HB   LEU  14           HB2      LEU  14   6.982   1.972   1.972
  118    HG   LEU  14           HG       LEU  14   5.307   3.080   3.080
  119   1HD1  LEU  14          HD12      LEU  14   3.965   1.438   1.438
  120   2HD1  LEU  14          HD13      LEU  14   3.954   0.661   0.661
  121   3HD1  LEU  14          HD11      LEU  14   3.284   2.281   2.281
  122   1HD2  LEU  14          HD21      LEU  14   6.582   0.395   0.395
  123   2HD2  LEU  14          HD22      LEU  14   7.165   1.650   1.650
  124   3HD2  LEU  14          HD23      LEU  14   5.713   0.735   0.735
  125    H    GLU  15           HN       GLU  15   6.561   5.068   5.068
  126    HA   GLU  15           HA       GLU  15   9.447   4.487   4.487
  127   1HB   GLU  15           HB1      GLU  15   7.603   3.759   3.759
  128   2HB   GLU  15           HB2      GLU  15   7.475   5.468   5.468
  129   1HG   GLU  15           HG1      GLU  15  10.223   4.954   4.954
  130   2HG   GLU  15           HG2      GLU  15   9.508   3.522   3.522
  131    H    ALA  16           HN       ALA  16   7.311   7.039   7.039
  132    HA   ALA  16           HA       ALA  16   8.767   9.176   9.176
  133   1HB   ALA  16           HB1      ALA  16   6.666   9.065   9.065
  134   2HB   ALA  16           HB2      ALA  16   7.457  10.585  10.585
  135   3HB   ALA  16           HB3      ALA  16   6.530   9.711   9.711
  136    H    ARG  17           HN       ARG  17   9.413   7.246   7.246
  137    HA   ARG  17           HA       ARG  17  11.542   9.156   9.156
  138   1HB   ARG  17           HB1      ARG  17   9.264   8.242   8.242
  139   2HB   ARG  17           HB2      ARG  17  10.818   7.923   7.923
  140   1HG   ARG  17           HG1      ARG  17  10.410  10.603  10.603
  141   2HG   ARG  17           HG2      ARG  17   9.586  10.279  10.279
  142   1HD   ARG  17           HD1      ARG  17  11.594   9.991   9.991
  143   2HD   ARG  17           HD2      ARG  17  12.503   9.610   9.610
  144    HE   ARG  17           HE       ARG  17  12.679  11.956  11.956
  145   1HH1  ARG  17          HH21      ARG  17  10.058  11.539  11.539
  146   2HH1  ARG  17          HH22      ARG  17  10.317  13.011  13.011
  147   1HH2  ARG  17          HH11      ARG  17  13.322  13.729  13.729
  148   2HH2  ARG  17          HH12      ARG  17  12.166  14.251  14.251
  149    H    GLY  18           HN       GLY  18  11.913   6.950   6.950
  150   1HA   GLY  18           HA1      GLY  18  13.832   5.414   5.414
  151   2HA   GLY  18           HA2      GLY  18  12.461   4.450   4.450
  152    H    THR  19           HN       THR  19  15.102   3.949   3.949
  153    HA   THR  19           HA       THR  19  14.855   4.715   4.715
  154    HB   THR  19           HB       THR  19  16.728   5.934   5.934
  155    HG1  THR  19           HG1      THR  19  16.729   4.845   4.845
  156   1HG2  THR  19          HG21      THR  19  17.083   3.759   3.759
  157   2HG2  THR  19          HG22      THR  19  18.235   3.367   3.367
  158   3HG2  THR  19          HG23      THR  19  18.415   4.859   4.859
  159    H    ASP  20           HN       ASP  20  13.786   2.358   2.358
  160    HA   ASP  20           HA       ASP  20  15.238   0.348   0.348
  161   1HB   ASP  20           HB1      ASP  20  15.070  -1.212  -1.212
  162   2HB   ASP  20           HB2      ASP  20  16.445  -0.120  -0.120
  163    H    SER  21           HN       SER  21  13.068   0.754   0.754
  164    HA   SER  21           HA       SER  21  11.271  -1.383  -1.383
  165   1HB   SER  21           HB1      SER  21  10.901   0.399   0.399
  166   2HB   SER  21           HB2      SER  21   9.894   1.163   1.163
  167    HG   SER  21           HG       SER  21   8.495  -0.223  -0.223
  168    H    ASN  22           HN       ASN  22  12.560   0.004   0.004
  169    HA   ASN  22           HA       ASN  22  10.224   1.151   1.151
  170   1HB   ASN  22           HB1      ASN  22  13.206   1.325   1.325
  171   2HB   ASN  22           HB2      ASN  22  12.104   1.701   1.701
  172   1HD2  ASN  22          HD22      ASN  22  11.350   4.889   4.889
  173   2HD2  ASN  22          HD21      ASN  22  11.314   3.819   3.819
  174    H    ALA  23           HN       ALA  23  10.847  -1.771  -1.771
  175    HA   ALA  23           HA       ALA  23  10.750  -2.662  -2.662
  176   1HB   ALA  23           HB3      ALA  23  12.460  -3.555  -3.555
  177   2HB   ALA  23           HB1      ALA  23  11.723  -4.851  -4.851
  178   3HB   ALA  23           HB2      ALA  23  12.743  -3.652  -3.652
  179    H    GLU  24           HN       GLU  24   9.879  -3.440  -3.440
  180    HA   GLU  24           HA       GLU  24   7.995  -5.495  -5.495
  181   1HB   GLU  24           HB1      GLU  24   8.331  -3.900  -3.900
  182   2HB   GLU  24           HB2      GLU  24   7.243  -5.278  -5.278
  183   1HG   GLU  24           HG1      GLU  24   9.576  -6.317  -6.317
  184   2HG   GLU  24           HG2      GLU  24  10.188  -5.214  -5.214
  185    H    LEU  25           HN       LEU  25   7.884  -2.214  -2.214
  186    HA   LEU  25           HA       LEU  25   5.363  -1.341  -1.341
  187   1HB   LEU  25           HB1      LEU  25   6.956  -0.771  -0.771
  188   2HB   LEU  25           HB2      LEU  25   5.393  -0.003  -0.003
  189    HG   LEU  25           HG       LEU  25   7.598   0.045   0.045
  190   1HD1  LEU  25          HD12      LEU  25   8.205   1.063   1.063
  191   2HD1  LEU  25          HD13      LEU  25   7.022   2.307   2.307
  192   3HD1  LEU  25          HD11      LEU  25   8.434   2.067   2.067
  193   1HD2  LEU  25          HD23      LEU  25   5.040   0.607   0.607
  194   2HD2  LEU  25          HD21      LEU  25   6.280   1.643   1.643
  195   3HD2  LEU  25          HD22      LEU  25   5.474   2.125   2.125
  196    H    ARG  26           HN       ARG  26   6.119  -3.737  -3.737
  197    HA   ARG  26           HA       ARG  26   3.396  -3.650  -3.650
  198   1HB   ARG  26           HB1      ARG  26   5.809  -5.384  -5.384
  199   2HB   ARG  26           HB2      ARG  26   4.249  -5.598  -5.598
  200   1HG   ARG  26           HG1      ARG  26   5.736  -2.961  -2.961
  201   2HG   ARG  26           HG2      ARG  26   5.921  -4.153  -4.153
  202   1HD   ARG  26           HD1      ARG  26   4.057  -3.350  -3.350
  203   2HD   ARG  26           HD2      ARG  26   3.130  -3.825  -3.825
  204    HE   ARG  26           HE       ARG  26   2.926  -1.514  -1.514
  205   1HH1  ARG  26          HH11      ARG  26   5.619  -2.035  -2.035
  206   2HH1  ARG  26          HH12      ARG  26   6.401  -0.542  -0.542
  207   1HH2  ARG  26          HH21      ARG  26   4.100   0.315   0.315
  208   2HH2  ARG  26          HH22      ARG  26   5.540   0.790   0.790
  209    H    ALA  27           HN       ALA  27   5.352  -5.637  -5.637
  210    HA   ALA  27           HA       ALA  27   3.426  -7.781  -7.781
  211   1HB   ALA  27           HB3      ALA  27   5.788  -6.987  -6.987
  212   2HB   ALA  27           HB1      ALA  27   4.792  -8.399  -8.399
  213   3HB   ALA  27           HB2      ALA  27   5.696  -8.308  -8.308
  214    H    MET  28           HN       MET  28   3.672  -4.654  -4.654
  215    HA   MET  28           HA       MET  28   2.268  -5.208  -5.208
  216   1HB   MET  28           HB1      MET  28   2.077  -2.846  -2.846
  217   2HB   MET  28           HB2      MET  28   3.608  -3.103  -3.103
  218   1HG   MET  28           HG1      MET  28   2.432  -2.712  -2.712
  219   2HG   MET  28           HG2      MET  28   0.959  -2.348  -2.348
  220   1HE   MET  28           HE3      MET  28   1.718  -0.429  -0.429
  221   2HE   MET  28           HE1      MET  28   0.548   0.106   0.106
  222   3HE   MET  28           HE2      MET  28   1.894   1.149   1.149
  223    H    GLU  29           HN       GLU  29   1.224  -4.655  -4.655
  224    HA   GLU  29           HA       GLU  29  -1.481  -3.932  -3.932
  225   1HB   GLU  29           HB1      GLU  29  -0.010  -5.273  -5.273
  226   2HB   GLU  29           HB2      GLU  29  -1.774  -5.300  -5.300
  227   1HG   GLU  29           HG1      GLU  29  -1.810  -2.840  -2.840
  228   2HG   GLU  29           HG2      GLU  29  -0.046  -2.816  -2.816
  229    H    ALA  30           HN       ALA  30   0.067  -7.129  -7.129
  230    HA   ALA  30           HA       ALA  30  -2.227  -8.753  -8.753
  231   1HB   ALA  30           HB1      ALA  30   0.282  -9.402  -9.402
  232   2HB   ALA  30           HB2      ALA  30   0.194  -9.353  -9.353
  233   3HB   ALA  30           HB3      ALA  30  -0.823 -10.476 -10.476
  234    H    LYS  31           HN       LYS  31  -0.407  -7.531  -7.531
  235    HA   LYS  31           HA       LYS  31  -2.218  -8.491  -8.491
  236   1HB   LYS  31           HB1      LYS  31  -0.084  -6.425  -6.425
  237   2HB   LYS  31           HB2      LYS  31  -1.252  -6.281  -6.281
  238   1HG   LYS  31           HG1      LYS  31   0.094  -7.787  -7.787
  239   2HG   LYS  31           HG2      LYS  31  -0.729  -8.970  -8.970
  240   1HD   LYS  31           HD1      LYS  31   1.433  -9.471  -9.471
  241   2HD   LYS  31           HD2      LYS  31   1.160  -8.152  -8.152
  242   1HE   LYS  31           HE1      LYS  31   2.014  -7.227  -7.227
  243   2HE   LYS  31           HE2      LYS  31   3.205  -8.263  -8.263
  244   1HZ   LYS  31           HZ3      LYS  31   2.664  -6.785  -6.785
  245   2HZ   LYS  31           HZ1      LYS  31   2.123  -5.677  -5.677
  246   3HZ   LYS  31           HZ2      LYS  31   3.733  -6.219  -6.219
  247    H    LEU  32           HN       LEU  32  -2.230  -5.496  -5.496
  248    HA   LEU  32           HA       LEU  32  -4.217  -4.069  -4.069
  249   1HB   LEU  32           HB1      LEU  32  -2.985  -3.081  -3.081
  250   2HB   LEU  32           HB2      LEU  32  -3.734  -4.216  -4.216
  251    HG   LEU  32           HG       LEU  32  -5.919  -3.116  -3.116
  252   1HD1  LEU  32          HD12      LEU  32  -3.985  -1.465  -1.465
  253   2HD1  LEU  32          HD13      LEU  32  -4.301  -0.712  -0.712
  254   3HD1  LEU  32          HD11      LEU  32  -5.604  -0.882  -0.882
  255   1HD2  LEU  32          HD23      LEU  32  -5.375  -3.521  -3.521
  256   2HD2  LEU  32          HD21      LEU  32  -6.382  -2.122  -2.122
  257   3HD2  LEU  32          HD22      LEU  32  -4.669  -1.905  -1.905
  258    H    LYS  33           HN       LYS  33  -4.656  -6.427  -6.427
  259    HA   LYS  33           HA       LYS  33  -7.505  -6.321  -6.321
  260   1HB   LYS  33           HB1      LYS  33  -5.667  -7.530  -7.530
  261   2HB   LYS  33           HB2      LYS  33  -6.235  -8.918  -8.918
  262   1HG   LYS  33           HG1      LYS  33  -8.538  -8.457  -8.457
  263   2HG   LYS  33           HG2      LYS  33  -8.056  -6.961  -6.961
  264   1HD   LYS  33           HD1      LYS  33  -6.881  -9.618  -9.618
  265   2HD   LYS  33           HD2      LYS  33  -8.415  -9.055  -9.055
  266   1HE   LYS  33           HE1      LYS  33  -7.131  -7.982  -7.982
  267   2HE   LYS  33           HE2      LYS  33  -6.818  -6.823  -6.823
  268   1HZ   LYS  33           HZ3      LYS  33  -5.114  -8.983  -8.983
  269   2HZ   LYS  33           HZ1      LYS  33  -5.019  -8.588  -8.588
  270   3HZ   LYS  33           HZ2      LYS  33  -4.700  -7.404  -7.404
  271    H    ALA  34           HN       ALA  34  -5.235  -7.948  -7.948
  272    HA   ALA  34           HA       ALA  34  -7.177  -9.843  -9.843
  273   1HB   ALA  34           HB2      ALA  34  -4.468  -8.928  -8.928
  274   2HB   ALA  34           HB3      ALA  34  -5.423 -10.204 -10.204
  275   3HB   ALA  34           HB1      ALA  34  -4.822 -10.410 -10.410
  276    H    GLU  35           HN       GLU  35  -6.160  -6.574  -6.574
  277    HA   GLU  35           HA       GLU  35  -7.378  -6.537  -6.537
  278   1HB   GLU  35           HB1      GLU  35  -5.495  -5.013  -5.013
  279   2HB   GLU  35           HB2      GLU  35  -6.755  -4.121  -4.121
  280   1HG   GLU  35           HG1      GLU  35  -7.810  -4.409  -4.409
  281   2HG   GLU  35           HG2      GLU  35  -6.094  -4.150  -4.150
  282    H    ILE  36           HN       ILE  36  -8.370  -5.558  -5.558
  283    HA   ILE  36           HA       ILE  36 -10.689  -4.110  -4.110
  284    HB   ILE  36           HB       ILE  36 -10.300  -6.187  -6.187
  285   1HG1  ILE  36          HG11      ILE  36  -9.988  -3.169  -3.169
  286   2HG1  ILE  36          HG12      ILE  36  -8.640  -4.295  -4.295
  287   1HG2  ILE  36          HG21      ILE  36 -12.444  -4.169  -4.169
  288   2HG2  ILE  36          HG22      ILE  36 -12.021  -4.508  -4.508
  289   3HG2  ILE  36          HG23      ILE  36 -12.596  -5.807  -5.807
  290   1HD1  ILE  36          HD11      ILE  36  -9.698  -5.409  -5.409
  291   2HD1  ILE  36          HD12      ILE  36 -10.457  -3.831  -3.831
  292   3HD1  ILE  36          HD13      ILE  36  -8.699  -3.965  -3.965
  293    H    GLN  37           HN       GLN  37 -10.195  -7.601  -7.601
  294    HA   GLN  37           HA       GLN  37 -12.840  -8.501  -8.501
  295   1HB   GLN  37           HB1      GLN  37 -10.401  -9.680  -9.680
  296   2HB   GLN  37           HB2      GLN  37 -10.937  -9.668  -9.668
  297   1HG   GLN  37           HG1      GLN  37 -12.451 -11.298 -11.298
  298   2HG   GLN  37           HG2      GLN  37 -13.082 -10.458 -10.458
  299   1HE2  GLN  37          HE22      GLN  37 -10.468 -12.027 -12.027
  300   2HE2  GLN  37          HE21      GLN  37 -10.986 -10.447 -10.447
  301    H    LYS  38           HN       LYS  38 -10.718  -7.684  -7.684
  302    HA   LYS  38           HA       LYS  38 -12.668  -7.762  -7.762
  303   1HB   LYS  38           HB1      LYS  38 -10.179  -7.359  -7.359
  304   2HB   LYS  38           HB2      LYS  38 -10.476  -5.676  -5.676
  305   1HG   LYS  38           HG1      LYS  38 -11.346  -5.207  -5.207
  306   2HG   LYS  38           HG2      LYS  38 -12.341  -6.663  -6.663
  307   1HD   LYS  38           HD1      LYS  38 -10.232  -7.971  -7.971
  308   2HD   LYS  38           HD2      LYS  38  -9.423  -6.423  -6.423
  309   1HE   LYS  38           HE1      LYS  38 -11.798  -6.209  -6.209
  310   2HE   LYS  38           HE2      LYS  38 -11.246  -7.856  -7.856
  311   1HZ   LYS  38           HZ3      LYS  38  -8.984  -6.317  -6.317
  312   2HZ   LYS  38           HZ1      LYS  38 -10.159  -5.389  -5.389
  313   3HZ   LYS  38           HZ2      LYS  38  -9.833  -6.973  -6.973
  314   1HN   NH2  39          1HN       NH2  39 -12.466  -4.531  -4.531
  315   2HN   NH2  39          2HN       NH2  39 -12.221  -3.986  -3.986

  Start of MODEL   22
    1   1H2   SIN   0          1H2       SIN   0  13.202   5.301   5.301
    2   2H2   SIN   0          2H2       SIN   0  13.103   6.168   6.168
    3   1H3   SIN   0          1H3       SIN   0  12.928   8.144   8.144
    4   2H3   SIN   0          2H3       SIN   0  14.380   7.817   7.817
    5    H    ASP   1           HN       ASP   1  12.885   8.984   8.984
    6    HA   ASP   1           HA       ASP   1  11.301   6.980   6.980
    7   1HB   ASP   1           HB1      ASP   1  11.373   8.525   8.525
    8   2HB   ASP   1           HB2      ASP   1  12.986   8.433   8.433
    9    H    TRP   2           HN       TRP   2  10.801  10.080  10.080
   10    HA   TRP   2           HA       TRP   2   8.214  10.687  10.687
   11   1HB   TRP   2           HB1      TRP   2   7.951  11.949  11.949
   12   2HB   TRP   2           HB2      TRP   2   9.655  12.051  12.051
   13    HD1  TRP   2           HD1      TRP   2  11.309  10.303  10.303
   14    HE1  TRP   2           HE1      TRP   2  11.234   9.369   9.369
   15    HE3  TRP   2           HE3      TRP   2   6.446  11.275  11.275
   16    HZ2  TRP   2           HZ2      TRP   2   9.327   9.070   9.070
   17    HZ3  TRP   2           HZ3      TRP   2   5.514  10.660  10.660
   18    HH2  TRP   2           HH2      TRP   2   6.950   9.558   9.558
   19    H    LEU   3           HN       LEU   3   9.282   8.294   8.294
   20    HA   LEU   3           HA       LEU   3   6.834   7.700   7.700
   21   1HB   LEU   3           HB1      LEU   3   9.290   6.087   6.087
   22   2HB   LEU   3           HB2      LEU   3   7.873   5.287   5.287
   23    HG   LEU   3           HG       LEU   3   8.172   7.642   7.642
   24   1HD1  LEU   3          HD12      LEU   3  10.496   7.687   7.687
   25   2HD1  LEU   3          HD13      LEU   3  10.838   6.225   6.225
   26   3HD1  LEU   3          HD11      LEU   3  10.452   7.728   7.728
   27   1HD2  LEU   3          HD21      LEU   3   8.592   4.711   4.711
   28   2HD2  LEU   3          HD22      LEU   3   7.469   5.801   5.801
   29   3HD2  LEU   3          HD23      LEU   3   9.174   5.794   5.794
   30    H    LYS   4           HN       LYS   4   8.110   6.532   6.532
   31    HA   LYS   4           HA       LYS   4   6.190   4.560   4.560
   32   1HB   LYS   4           HB1      LYS   4   6.767   4.813   4.813
   33   2HB   LYS   4           HB2      LYS   4   8.218   5.297   5.297
   34   1HG   LYS   4           HG1      LYS   4   7.188   7.698   7.698
   35   2HG   LYS   4           HG2      LYS   4   6.205   7.025   7.025
   36   1HD   LYS   4           HD1      LYS   4   8.391   6.190   6.190
   37   2HD   LYS   4           HD2      LYS   4   9.222   7.216   7.216
   38   1HE   LYS   4           HE1      LYS   4   7.101   8.707   8.707
   39   2HE   LYS   4           HE2      LYS   4   8.140   7.986   7.986
   40   1HZ   LYS   4           HZ3      LYS   4  10.062   8.922   8.922
   41   2HZ   LYS   4           HZ1      LYS   4   9.060   9.620   9.620
   42   3HZ   LYS   4           HZ2      LYS   4   8.966  10.145  10.145
   43    H    ALA   5           HN       ALA   5   5.893   8.072   8.072
   44    HA   ALA   5           HA       ALA   5   3.250   7.949   7.949
   45   1HB   ALA   5           HB1      ALA   5   4.877  10.192  10.192
   46   2HB   ALA   5           HB2      ALA   5   3.251  10.434  10.434
   47   3HB   ALA   5           HB3      ALA   5   4.548   9.898   9.898
   48    H    ARG   6           HN       ARG   6   4.543   8.277   8.277
   49    HA   ARG   6           HA       ARG   6   1.857   8.737   8.737
   50   1HB   ARG   6           HB1      ARG   6   2.925   9.090   9.090
   51   2HB   ARG   6           HB2      ARG   6   3.955   9.860   9.860
   52   1HG   ARG   6           HG1      ARG   6   5.625   8.638   8.638
   53   2HG   ARG   6           HG2      ARG   6   4.937   7.288   7.288
   54   1HD   ARG   6           HD1      ARG   6   5.156   6.601   6.601
   55   2HD   ARG   6           HD2      ARG   6   3.440   6.841   6.841
   56    HE   ARG   6           HE       ARG   6   4.341   9.297   9.297
   57   1HH1  ARG   6          HH11      ARG   6   5.686   6.562   6.562
   58   2HH1  ARG   6          HH12      ARG   6   4.971   6.690   6.690
   59   1HH2  ARG   6          HH21      ARG   6   2.800   9.238   9.238
   60   2HH2  ARG   6          HH22      ARG   6   3.338   8.203   8.203
   61    H    VAL   7           HN       VAL   7   3.451   6.050   6.050
   62    HA   VAL   7           HA       VAL   7   2.640   4.301   4.301
   63    HB   VAL   7           HB       VAL   7   3.961   3.684   3.684
   64   1HG1  VAL   7          HG11      VAL   7   3.196   1.951   1.951
   65   2HG1  VAL   7          HG12      VAL   7   4.442   1.473   1.473
   66   3HG1  VAL   7          HG13      VAL   7   2.782   1.718   1.718
   67   1HG2  VAL   7          HG21      VAL   7   5.033   4.881   4.881
   68   2HG2  VAL   7          HG22      VAL   7   5.955   3.973   3.973
   69   3HG2  VAL   7          HG23      VAL   7   5.392   3.176   3.176
   70    H    GLU   8           HN       GLU   8   2.137   4.135   4.135
   71    HA   GLU   8           HA       GLU   8  -0.041   2.390   2.390
   72   1HB   GLU   8           HB1      GLU   8  -0.751   3.636   3.636
   73   2HB   GLU   8           HB2      GLU   8   0.895   3.004   3.004
   74   1HG   GLU   8           HG1      GLU   8   1.817   5.160   5.160
   75   2HG   GLU   8           HG2      GLU   8   0.235   5.829   5.829
   76    H    GLN   9           HN       GLN   9  -0.043   5.883   5.883
   77    HA   GLN   9           HA       GLN   9  -2.835   6.325   6.325
   78   1HB   GLN   9           HB1      GLN   9  -1.139   8.130   8.130
   79   2HB   GLN   9           HB2      GLN   9  -0.808   7.607   7.607
   80   1HG   GLN   9           HG1      GLN   9  -2.665   8.632   8.632
   81   2HG   GLN   9           HG2      GLN   9  -3.665   8.014   8.014
   82   1HE2  GLN   9          HE22      GLN   9  -1.524  11.386  11.386
   83   2HE2  GLN   9          HE21      GLN   9  -0.736  10.091  10.091
   84    H    GLU  10           HN       GLU  10  -0.774   5.409   5.409
   85    HA   GLU  10           HA       GLU  10  -2.862   5.225   5.225
   86   1HB   GLU  10           HB1      GLU  10  -0.070   4.407   4.407
   87   2HB   GLU  10           HB2      GLU  10  -1.031   3.244   3.244
   88   1HG   GLU  10           HG1      GLU  10  -1.235   6.209   6.209
   89   2HG   GLU  10           HG2      GLU  10   0.006   5.224   5.224
   90    H    LEU  11           HN       LEU  11  -1.434   2.661   2.661
   91    HA   LEU  11           HA       LEU  11  -3.478   0.763   0.763
   92   1HB   LEU  11           HB1      LEU  11  -1.495   0.415   0.415
   93   2HB   LEU  11           HB2      LEU  11  -2.308  -0.847  -0.847
   94    HG   LEU  11           HG       LEU  11  -0.877   0.981   0.981
   95   1HD1  LEU  11          HD12      LEU  11   0.453   0.934   0.934
   96   2HD1  LEU  11          HD13      LEU  11   0.970  -0.647  -0.647
   97   3HD1  LEU  11          HD11      LEU  11   1.310   0.800   0.800
   98   1HD2  LEU  11          HD21      LEU  11  -1.681  -1.661  -1.661
   99   2HD2  LEU  11          HD22      LEU  11  -0.577  -0.961  -0.961
  100   3HD2  LEU  11          HD23      LEU  11   0.062  -1.793  -1.793
  101    H    GLN  12           HN       GLN  12  -3.730   3.326   3.326
  102    HA   GLN  12           HA       GLN  12  -4.951   2.111   2.111
  103   1HB   GLN  12           HB1      GLN  12  -4.228   4.776   4.776
  104   2HB   GLN  12           HB2      GLN  12  -5.859   4.764   4.764
  105   1HG   GLN  12           HG1      GLN  12  -4.726   3.299   3.299
  106   2HG   GLN  12           HG2      GLN  12  -3.250   4.081   4.081
  107   1HE2  GLN  12          HE22      GLN  12  -5.682   6.126   6.126
  108   2HE2  GLN  12          HE21      GLN  12  -5.748   4.442   4.442
  109    H    ALA  13           HN       ALA  13  -6.229   3.923   3.923
  110    HA   ALA  13           HA       ALA  13  -8.974   3.650   3.650
  111   1HB   ALA  13           HB2      ALA  13  -7.713   4.942   4.942
  112   2HB   ALA  13           HB3      ALA  13  -8.038   3.470   3.470
  113   3HB   ALA  13           HB1      ALA  13  -9.374   4.401   4.401
  114    H    LEU  14           HN       LEU  14  -6.683   1.322   1.322
  115    HA   LEU  14           HA       LEU  14  -8.408  -0.530  -0.530
  116   1HB   LEU  14           HB1      LEU  14  -5.718  -0.526  -0.526
  117   2HB   LEU  14           HB2      LEU  14  -6.523  -2.052  -2.052
  118    HG   LEU  14           HG       LEU  14  -7.115  -2.331  -2.331
  119   1HD1  LEU  14          HD11      LEU  14  -7.313   0.141   0.141
  120   2HD1  LEU  14          HD12      LEU  14  -5.551   0.222   0.222
  121   3HD1  LEU  14          HD13      LEU  14  -6.413  -0.738  -0.738
  122   1HD2  LEU  14          HD21      LEU  14  -4.696  -2.780  -2.780
  123   2HD2  LEU  14          HD22      LEU  14  -5.017  -3.041  -3.041
  124   3HD2  LEU  14          HD23      LEU  14  -4.229  -1.557  -1.557
  125    H    GLU  15           HN       GLU  15  -7.469  -0.333  -0.333
  126    HA   GLU  15           HA       GLU  15  -9.439  -2.413  -2.413
  127   1HB   GLU  15           HB1      GLU  15  -7.694  -0.693  -0.693
  128   2HB   GLU  15           HB2      GLU  15  -8.632  -2.096  -2.096
  129   1HG   GLU  15           HG1      GLU  15  -6.559  -3.084  -3.084
  130   2HG   GLU  15           HG2      GLU  15  -7.281  -3.291  -3.291
  131    H    ALA  16           HN       ALA  16  -9.508   0.912   0.912
  132    HA   ALA  16           HA       ALA  16 -11.348   1.716   1.716
  133   1HB   ALA  16           HB2      ALA  16  -9.993   3.330   3.330
  134   2HB   ALA  16           HB3      ALA  16 -10.918   2.912   2.912
  135   3HB   ALA  16           HB1      ALA  16 -11.715   3.703   3.703
  136    H    ARG  17           HN       ARG  17 -11.827   0.807   0.807
  137    HA   ARG  17           HA       ARG  17 -14.740   0.548   0.548
  138   1HB   ARG  17           HB1      ARG  17 -13.366   0.453   0.453
  139   2HB   ARG  17           HB2      ARG  17 -15.088   0.668   0.668
  140   1HG   ARG  17           HG1      ARG  17 -14.840   2.889   2.889
  141   2HG   ARG  17           HG2      ARG  17 -13.387   2.635   2.635
  142   1HD   ARG  17           HD1      ARG  17 -12.200   2.166   2.166
  143   2HD   ARG  17           HD2      ARG  17 -13.621   2.885   2.885
  144    HE   ARG  17           HE       ARG  17 -12.548   4.591   4.591
  145   1HH1  ARG  17          HH21      ARG  17 -10.392   3.641   3.641
  146   2HH1  ARG  17          HH22      ARG  17 -10.385   5.023   5.023
  147   1HH2  ARG  17          HH11      ARG  17 -13.318   6.345   6.345
  148   2HH2  ARG  17          HH12      ARG  17 -12.040   6.552   6.552
  149    H    GLY  18           HN       GLY  18 -13.354  -1.460  -1.460
  150   1HA   GLY  18           HA1      GLY  18 -14.429  -3.815  -3.815
  151   2HA   GLY  18           HA2      GLY  18 -12.699  -3.730  -3.730
  152    H    THR  19           HN       THR  19 -15.048  -4.612  -4.612
  153    HA   THR  19           HA       THR  19 -13.181  -4.488  -4.488
  154    HB   THR  19           HB       THR  19 -15.081  -5.421  -5.421
  155    HG1  THR  19           HG1      THR  19 -15.818  -6.505  -6.505
  156   1HG2  THR  19          HG22      THR  19 -15.405  -3.011  -3.011
  157   2HG2  THR  19          HG23      THR  19 -16.765  -3.519  -3.519
  158   3HG2  THR  19          HG21      THR  19 -15.223  -3.108  -3.108
  159    H    ASP  20           HN       ASP  20 -12.721  -6.252  -6.252
  160    HA   ASP  20           HA       ASP  20 -12.807  -8.913  -8.913
  161   1HB   ASP  20           HB1      ASP  20 -12.408  -8.207  -8.207
  162   2HB   ASP  20           HB2      ASP  20 -12.408  -9.845  -9.845
  163    H    SER  21           HN       SER  21 -10.895  -7.341  -7.341
  164    HA   SER  21           HA       SER  21  -8.473  -8.751  -8.751
  165   1HB   SER  21           HB1      SER  21  -8.897  -6.923  -6.923
  166   2HB   SER  21           HB2      SER  21  -7.986  -5.956  -5.956
  167    HG   SER  21           HG       SER  21  -6.438  -6.945  -6.945
  168    H    ASN  22           HN       ASN  22 -10.106  -7.818  -7.818
  169    HA   ASN  22           HA       ASN  22  -8.525  -5.692  -5.692
  170   1HB   ASN  22           HB1      ASN  22 -10.148  -5.841  -5.841
  171   2HB   ASN  22           HB2      ASN  22 -11.017  -5.857  -5.857
  172   1HD2  ASN  22          HD22      ASN  22 -12.404  -8.645  -8.645
  173   2HD2  ASN  22          HD21      ASN  22 -12.375  -6.951  -6.951
  174    H    ALA  23           HN       ALA  23  -7.666  -8.600  -8.600
  175    HA   ALA  23           HA       ALA  23  -6.583  -9.159  -9.159
  176   1HB   ALA  23           HB2      ALA  23  -7.766 -10.967 -10.967
  177   2HB   ALA  23           HB3      ALA  23  -6.431 -11.587 -11.587
  178   3HB   ALA  23           HB1      ALA  23  -7.907 -11.029 -11.029
  179    H    GLU  24           HN       GLU  24  -5.991  -9.430  -9.430
  180    HA   GLU  24           HA       GLU  24  -3.192 -10.093 -10.093
  181   1HB   GLU  24           HB1      GLU  24  -4.846  -9.320  -9.320
  182   2HB   GLU  24           HB2      GLU  24  -3.111  -9.625  -9.625
  183   1HG   GLU  24           HG1      GLU  24  -5.246 -11.561 -11.561
  184   2HG   GLU  24           HG2      GLU  24  -4.284 -11.685 -11.685
  185    H    LEU  25           HN       LEU  25  -4.794  -7.296  -7.296
  186    HA   LEU  25           HA       LEU  25  -3.416  -5.243  -5.243
  187   1HB   LEU  25           HB1      LEU  25  -4.638  -5.482  -5.482
  188   2HB   LEU  25           HB2      LEU  25  -3.695  -4.043  -4.043
  189    HG   LEU  25           HG       LEU  25  -5.843  -5.041  -5.041
  190   1HD1  LEU  25          HD12      LEU  25  -6.761  -4.713  -4.713
  191   2HD1  LEU  25          HD13      LEU  25  -6.268  -3.025  -3.025
  192   3HD1  LEU  25          HD11      LEU  25  -7.479  -3.673  -3.673
  193   1HD2  LEU  25          HD22      LEU  25  -3.952  -2.942  -2.942
  194   2HD2  LEU  25          HD23      LEU  25  -5.286  -3.181  -3.181
  195   3HD2  LEU  25          HD21      LEU  25  -5.514  -2.181  -2.181
  196    H    ARG  26           HN       ARG  26  -2.363  -7.249  -7.249
  197    HA   ARG  26           HA       ARG  26   0.032  -5.720  -5.720
  198   1HB   ARG  26           HB1      ARG  26  -1.109  -8.329  -8.329
  199   2HB   ARG  26           HB2      ARG  26   0.649  -8.203  -8.203
  200   1HG   ARG  26           HG1      ARG  26  -0.205  -7.466  -7.466
  201   2HG   ARG  26           HG2      ARG  26   0.333  -6.027  -6.027
  202   1HD   ARG  26           HD1      ARG  26  -2.246  -6.194  -6.194
  203   2HD   ARG  26           HD2      ARG  26  -2.404  -6.866  -6.866
  204    HE   ARG  26           HE       ARG  26  -0.907  -4.574  -4.574
  205   1HH1  ARG  26          HH21      ARG  26  -4.097  -5.526  -5.526
  206   2HH1  ARG  26          HH22      ARG  26  -4.729  -3.915  -3.915
  207   1HH2  ARG  26          HH11      ARG  26  -1.621  -2.397  -2.397
  208   2HH2  ARG  26          HH12      ARG  26  -3.327  -2.145  -2.145
  209    H    ALA  27           HN       ALA  27  -0.658  -8.615  -8.615
  210    HA   ALA  27           HA       ALA  27   2.014  -9.173  -9.173
  211   1HB   ALA  27           HB3      ALA  27  -0.425 -10.307 -10.307
  212   2HB   ALA  27           HB1      ALA  27  -0.040  -9.590  -9.590
  213   3HB   ALA  27           HB2      ALA  27   1.067 -10.750 -10.750
  214    H    MET  28           HN       MET  28  -0.283  -6.771  -6.771
  215    HA   MET  28           HA       MET  28   1.014  -6.086  -6.086
  216   1HB   MET  28           HB1      MET  28  -1.279  -5.320  -5.320
  217   2HB   MET  28           HB2      MET  28  -0.512  -4.221  -4.221
  218   1HG   MET  28           HG1      MET  28  -1.065  -3.089  -3.089
  219   2HG   MET  28           HG2      MET  28   0.672  -3.101  -3.101
  220   1HE   MET  28           HE1      MET  28  -1.284  -2.811  -2.811
  221   2HE   MET  28           HE2      MET  28   0.429  -2.408  -2.408
  222   3HE   MET  28           HE3      MET  28  -0.271  -3.526  -3.526
  223    H    GLU  29           HN       GLU  29   1.644  -5.206  -5.206
  224    HA   GLU  29           HA       GLU  29   3.400  -3.002  -3.002
  225   1HB   GLU  29           HB1      GLU  29   2.388  -3.686  -3.686
  226   2HB   GLU  29           HB2      GLU  29   3.642  -4.924  -4.924
  227   1HG   GLU  29           HG1      GLU  29   4.667  -3.145  -3.145
  228   2HG   GLU  29           HG2      GLU  29   5.255  -2.911  -2.911
  229    H    ALA  30           HN       ALA  30   4.019  -6.492  -6.492
  230    HA   ALA  30           HA       ALA  30   6.834  -6.422  -6.422
  231   1HB   ALA  30           HB3      ALA  30   4.901  -8.394  -8.394
  232   2HB   ALA  30           HB1      ALA  30   5.609  -8.665  -8.665
  233   3HB   ALA  30           HB2      ALA  30   6.634  -8.679  -8.679
  234    H    LYS  31           HN       LYS  31   4.519  -7.025  -7.025
  235    HA   LYS  31           HA       LYS  31   6.468  -6.894  -6.894
  236   1HB   LYS  31           HB1      LYS  31   3.480  -6.510  -6.510
  237   2HB   LYS  31           HB2      LYS  31   4.384  -6.263  -6.263
  238   1HG   LYS  31           HG1      LYS  31   4.199  -8.497  -8.497
  239   2HG   LYS  31           HG2      LYS  31   5.389  -8.665  -8.665
  240   1HD   LYS  31           HD1      LYS  31   3.731  -9.049  -9.049
  241   2HD   LYS  31           HD2      LYS  31   2.455  -8.361  -8.361
  242   1HE   LYS  31           HE1      LYS  31   3.316 -10.393 -10.393
  243   2HE   LYS  31           HE2      LYS  31   3.603 -11.091 -11.091
  244   1HZ   LYS  31           HZ3      LYS  31   1.062  -9.726  -9.726
  245   2HZ   LYS  31           HZ1      LYS  31   1.258 -11.196 -11.196
  246   3HZ   LYS  31           HZ2      LYS  31   1.414 -11.144 -11.144
  247    H    LEU  32           HN       LEU  32   4.866  -4.418  -4.418
  248    HA   LEU  32           HA       LEU  32   5.047  -2.217  -2.217
  249   1HB   LEU  32           HB1      LEU  32   4.259  -2.536  -2.536
  250   2HB   LEU  32           HB2      LEU  32   5.780  -1.671  -1.671
  251    HG   LEU  32           HG       LEU  32   4.868  -0.112  -0.112
  252   1HD1  LEU  32          HD12      LEU  32   2.939  -1.589  -1.589
  253   2HD1  LEU  32          HD13      LEU  32   2.299  -1.311  -1.311
  254   3HD1  LEU  32          HD11      LEU  32   2.421   0.028   0.028
  255   1HD2  LEU  32          HD23      LEU  32   4.537  -0.176  -0.176
  256   2HD2  LEU  32          HD21      LEU  32   4.858   1.206   1.206
  257   3HD2  LEU  32          HD22      LEU  32   3.198   0.687   0.687
  258    H    LYS  33           HN       LYS  33   7.480  -3.401  -3.401
  259    HA   LYS  33           HA       LYS  33   9.497  -1.513  -1.513
  260   1HB   LYS  33           HB1      LYS  33   9.296  -4.033  -4.033
  261   2HB   LYS  33           HB2      LYS  33  10.707  -4.103  -4.103
  262   1HG   LYS  33           HG1      LYS  33  11.793  -2.382  -2.382
  263   2HG   LYS  33           HG2      LYS  33  10.285  -1.644  -1.644
  264   1HD   LYS  33           HD1      LYS  33  10.436  -2.744  -2.744
  265   2HD   LYS  33           HD2      LYS  33  10.465  -4.288  -4.288
  266   1HE   LYS  33           HE1      LYS  33  12.906  -2.528  -2.528
  267   2HE   LYS  33           HE2      LYS  33  12.493  -3.854  -3.854
  268   1HZ   LYS  33           HZ1      LYS  33  12.311  -5.084  -5.084
  269   2HZ   LYS  33           HZ2      LYS  33  13.497  -3.931  -3.931
  270   3HZ   LYS  33           HZ3      LYS  33  13.750  -5.014  -5.014
  271    H    ALA  34           HN       ALA  34   8.475  -4.260  -4.260
  272    HA   ALA  34           HA       ALA  34  10.766  -4.304  -4.304
  273   1HB   ALA  34           HB3      ALA  34   8.109  -5.549  -5.549
  274   2HB   ALA  34           HB1      ALA  34   8.656  -5.221  -5.221
  275   3HB   ALA  34           HB2      ALA  34   9.638  -6.217  -6.217
  276    H    GLU  35           HN       GLU  35   7.673  -2.569  -2.569
  277    HA   GLU  35           HA       GLU  35   8.071  -1.447  -1.447
  278   1HB   GLU  35           HB1      GLU  35   6.319  -0.589  -0.589
  279   2HB   GLU  35           HB2      GLU  35   6.268   0.155   0.155
  280   1HG   GLU  35           HG1      GLU  35   5.955  -2.294  -2.294
  281   2HG   GLU  35           HG2      GLU  35   5.495  -2.641  -2.641
  282    H    ILE  36           HN       ILE  36   8.670  -0.242  -0.242
  283    HA   ILE  36           HA       ILE  36   9.529   2.362   2.362
  284    HB   ILE  36           HB       ILE  36  10.368   0.578   0.578
  285   1HG1  ILE  36          HG11      ILE  36   8.537   2.985   2.985
  286   2HG1  ILE  36          HG12      ILE  36   7.931   1.356   1.356
  287   1HG2  ILE  36          HG23      ILE  36  12.049   2.356   2.356
  288   2HG2  ILE  36          HG21      ILE  36  10.774   3.564   3.564
  289   3HG2  ILE  36          HG22      ILE  36  11.251   2.596   2.596
  290   1HD1  ILE  36          HD13      ILE  36   9.601   1.114   1.114
  291   2HD1  ILE  36          HD11      ILE  36   8.686   2.598   2.598
  292   3HD1  ILE  36          HD12      ILE  36   7.838   1.077   1.077
  293    H    GLN  37           HN       GLN  37  11.365  -0.666  -0.666
  294    HA   GLN  37           HA       GLN  37  13.958   0.331   0.331
  295   1HB   GLN  37           HB1      GLN  37  13.164  -2.104  -2.104
  296   2HB   GLN  37           HB2      GLN  37  13.011  -2.212  -2.212
  297   1HG   GLN  37           HG1      GLN  37  15.509  -1.006  -1.006
  298   2HG   GLN  37           HG2      GLN  37  15.405  -2.295  -2.295
  299   1HE2  GLN  37          HE22      GLN  37  15.919  -3.227  -3.227
  300   2HE2  GLN  37          HE21      GLN  37  15.883  -1.618  -1.618
  301    H    LYS  38           HN       LYS  38  12.037  -1.196  -1.196
  302    HA   LYS  38           HA       LYS  38  13.552  -0.152  -0.152
  303   1HB   LYS  38           HB1      LYS  38  10.568  -0.702  -0.702
  304   2HB   LYS  38           HB2      LYS  38  11.604  -0.616  -0.616
  305   1HG   LYS  38           HG1      LYS  38  12.986  -2.484  -2.484
  306   2HG   LYS  38           HG2      LYS  38  11.635  -2.679  -2.679
  307   1HD   LYS  38           HD1      LYS  38  10.350  -3.695  -3.695
  308   2HD   LYS  38           HD2      LYS  38  10.808  -2.534  -2.534
  309   1HE   LYS  38           HE1      LYS  38  11.647  -4.717  -4.717
  310   2HE   LYS  38           HE2      LYS  38  13.022  -3.716  -3.716
  311   1HZ   LYS  38           HZ2      LYS  38  12.315  -4.821  -4.821
  312   2HZ   LYS  38           HZ3      LYS  38  11.951  -6.081  -6.081
  313   3HZ   LYS  38           HZ1      LYS  38  13.519  -5.438  -5.438
  314   1HN   NH2  39          1HN       NH2  39  10.685   2.001   2.001
  315   2HN   NH2  39          2HN       NH2  39  12.222   2.580   2.580

  Start of MODEL   23
    1   1H2   SIN   0          1H2       SIN   0  13.375  -3.172  -3.172
    2   2H2   SIN   0          2H2       SIN   0  13.144  -1.463  -1.463
    3   1H3   SIN   0          1H3       SIN   0  15.608  -1.798  -1.798
    4   2H3   SIN   0          2H3       SIN   0  14.998  -3.441  -3.441
    5    H    ASP   1           HN       ASP   1  13.542  -0.164  -0.164
    6    HA   ASP   1           HA       ASP   1  11.333  -1.427  -1.427
    7   1HB   ASP   1           HB1      ASP   1  11.478  -0.171  -0.171
    8   2HB   ASP   1           HB2      ASP   1  12.565  -1.548  -1.548
    9    H    TRP   2           HN       TRP   2  13.107   1.649   1.649
   10    HA   TRP   2           HA       TRP   2  10.924   3.399   3.399
   11   1HB   TRP   2           HB1      TRP   2  12.295   5.032   5.032
   12   2HB   TRP   2           HB2      TRP   2  13.328   4.092   4.092
   13    HD1  TRP   2           HD1      TRP   2  14.699   2.056   2.056
   14    HE1  TRP   2           HE1      TRP   2  15.730   1.881   1.881
   15    HE3  TRP   2           HE3      TRP   2  12.069   5.719   5.719
   16    HZ2  TRP   2           HZ2      TRP   2  15.450   3.148   3.148
   17    HZ3  TRP   2           HZ3      TRP   2  12.465   6.224   6.224
   18    HH2  TRP   2           HH2      TRP   2  14.152   4.940   4.940
   19    H    LEU   3           HN       LEU   3  11.942   1.336   1.336
   20    HA   LEU   3           HA       LEU   3  10.582   2.649   2.649
   21   1HB   LEU   3           HB1      LEU   3  11.961   0.185   0.185
   22   2HB   LEU   3           HB2      LEU   3  10.396  -0.181  -0.181
   23    HG   LEU   3           HG       LEU   3  11.145   2.065   2.065
   24   1HD1  LEU   3          HD11      LEU   3  13.427   1.568   1.568
   25   2HD1  LEU   3          HD12      LEU   3  13.667   0.481   0.481
   26   3HD1  LEU   3          HD13      LEU   3  13.415   2.204   2.204
   27   1HD2  LEU   3          HD22      LEU   3  11.729  -0.846  -0.846
   28   2HD2  LEU   3          HD23      LEU   3  10.263   0.046   0.046
   29   3HD2  LEU   3          HD21      LEU   3  11.786   0.450   0.450
   30    H    LYS   4           HN       LYS   4   9.402   0.385   0.385
   31    HA   LYS   4           HA       LYS   4   6.886  -0.249  -0.249
   32   1HB   LYS   4           HB1      LYS   4   6.120  -0.547  -0.547
   33   2HB   LYS   4           HB2      LYS   4   7.843  -0.925  -0.925
   34   1HG   LYS   4           HG1      LYS   4   8.116   1.622   1.622
   35   2HG   LYS   4           HG2      LYS   4   6.417   1.519   1.519
   36   1HD   LYS   4           HD1      LYS   4   7.510  -0.727  -0.727
   37   2HD   LYS   4           HD2      LYS   4   8.797   0.466   0.466
   38   1HE   LYS   4           HE1      LYS   4   5.952   1.202   1.202
   39   2HE   LYS   4           HE2      LYS   4   6.934   0.333   0.333
   40   1HZ   LYS   4           HZ3      LYS   4   8.599   2.281   2.281
   41   2HZ   LYS   4           HZ1      LYS   4   7.099   3.073   3.073
   42   3HZ   LYS   4           HZ2      LYS   4   7.664   2.347   2.347
   43    H    ALA   5           HN       ALA   5   8.063   2.765   2.765
   44    HA   ALA   5           HA       ALA   5   5.475   4.101   4.101
   45   1HB   ALA   5           HB3      ALA   5   7.928   4.646   4.646
   46   2HB   ALA   5           HB1      ALA   5   7.848   5.824   5.824
   47   3HB   ALA   5           HB2      ALA   5   6.570   5.768   5.768
   48    H    ARG   6           HN       ARG   6   8.354   3.892   3.892
   49    HA   ARG   6           HA       ARG   6   7.732   5.812   5.812
   50   1HB   ARG   6           HB1      ARG   6   9.158   3.166   3.166
   51   2HB   ARG   6           HB2      ARG   6   8.855   4.028   4.028
   52   1HG   ARG   6           HG1      ARG   6  10.018   5.576   5.576
   53   2HG   ARG   6           HG2      ARG   6  11.071   4.444   4.444
   54   1HD   ARG   6           HD1      ARG   6  11.195   6.679   6.679
   55   2HD   ARG   6           HD2      ARG   6  10.478   5.522   5.522
   56    HE   ARG   6           HE       ARG   6   8.322   6.568   6.568
   57   1HH1  ARG   6          HH11      ARG   6   9.398   7.402   7.402
   58   2HH1  ARG   6          HH12      ARG   6   9.247   9.121   9.121
   59   1HH2  ARG   6          HH21      ARG   6   8.790   9.047   9.047
   60   2HH2  ARG   6          HH22      ARG   6   8.903  10.052  10.052
   61    H    VAL   7           HN       VAL   7   6.457   2.539   2.539
   62    HA   VAL   7           HA       VAL   7   4.892   2.714   2.714
   63    HB   VAL   7           HB       VAL   7   4.598   0.559   0.559
   64   1HG1  VAL   7          HG12      VAL   7   4.504   0.692   0.692
   65   2HG1  VAL   7          HG13      VAL   7   4.402  -0.812  -0.812
   66   3HG1  VAL   7          HG11      VAL   7   3.149   0.416   0.416
   67   1HG2  VAL   7          HG21      VAL   7   7.001   1.225   1.225
   68   2HG2  VAL   7          HG22      VAL   7   6.897   0.422   0.422
   69   3HG2  VAL   7          HG23      VAL   7   6.539  -0.475  -0.475
   70    H    GLU   8           HN       GLU   8   4.465   3.210   3.210
   71    HA   GLU   8           HA       GLU   8   1.597   2.939   2.939
   72   1HB   GLU   8           HB1      GLU   8   3.545   3.282   3.282
   73   2HB   GLU   8           HB2      GLU   8   2.783   4.873   4.873
   74   1HG   GLU   8           HG1      GLU   8   1.499   3.659   3.659
   75   2HG   GLU   8           HG2      GLU   8   0.544   3.565   3.565
   76    H    GLN   9           HN       GLN   9   3.773   5.649   5.649
   77    HA   GLN   9           HA       GLN   9   1.775   7.693   7.693
   78   1HB   GLN   9           HB1      GLN   9   4.570   7.420   7.420
   79   2HB   GLN   9           HB2      GLN   9   3.630   8.581   8.581
   80   1HG   GLN   9           HG1      GLN   9   2.912   9.668   9.668
   81   2HG   GLN   9           HG2      GLN   9   3.931   8.542   8.542
   82   1HE2  GLN   9          HE22      GLN   9   6.045  11.522  11.522
   83   2HE2  GLN   9          HE21      GLN   9   4.696  11.068  11.068
   84    H    GLU  10           HN       GLU  10   3.211   5.866   5.866
   85    HA   GLU  10           HA       GLU  10   1.572   6.999   6.999
   86   1HB   GLU  10           HB1      GLU  10   2.671   4.175   4.175
   87   2HB   GLU  10           HB2      GLU  10   2.253   5.129   5.129
   88   1HG   GLU  10           HG1      GLU  10   4.011   6.768   6.768
   89   2HG   GLU  10           HG2      GLU  10   4.436   5.792   5.792
   90    H    LEU  11           HN       LEU  11   1.110   4.068   4.068
   91    HA   LEU  11           HA       LEU  11  -1.402   3.381   3.381
   92   1HB   LEU  11           HB1      LEU  11  -0.154   2.564   2.564
   93   2HB   LEU  11           HB2      LEU  11  -1.646   1.871   1.871
   94    HG   LEU  11           HG       LEU  11   0.919   1.918   1.918
   95   1HD1  LEU  11          HD13      LEU  11   1.316   0.697   0.697
   96   2HD1  LEU  11          HD11      LEU  11  -0.115  -0.288  -0.288
   97   3HD1  LEU  11          HD12      LEU  11   1.281  -0.404  -0.404
   98   1HD2  LEU  11          HD22      LEU  11  -1.783   1.179   1.179
   99   2HD2  LEU  11          HD23      LEU  11  -0.390   0.983   0.983
  100   3HD2  LEU  11          HD21      LEU  11  -0.837  -0.308  -0.308
  101    H    GLN  12           HN       GLN  12  -0.505   5.771   5.771
  102    HA   GLN  12           HA       GLN  12  -2.916   5.867   5.867
  103   1HB   GLN  12           HB1      GLN  12  -0.632   7.030   7.030
  104   2HB   GLN  12           HB2      GLN  12  -1.240   8.286   8.286
  105   1HG   GLN  12           HG1      GLN  12  -3.372   7.787   7.787
  106   2HG   GLN  12           HG2      GLN  12  -1.951   7.720   7.720
  107   1HE2  GLN  12          HE22      GLN  12  -3.035  11.300  11.300
  108   2HE2  GLN  12          HE21      GLN  12  -3.771   9.876   9.876
  109    H    ALA  13           HN       ALA  13  -1.924   7.439   7.439
  110    HA   ALA  13           HA       ALA  13  -4.172   9.166   9.166
  111   1HB   ALA  13           HB1      ALA  13  -2.293   7.890   7.890
  112   2HB   ALA  13           HB2      ALA  13  -3.616   8.931   8.931
  113   3HB   ALA  13           HB3      ALA  13  -2.354   9.572   9.572
  114    H    LEU  14           HN       LEU  14  -3.734   5.748   5.748
  115    HA   LEU  14           HA       LEU  14  -6.121   5.443   5.443
  116   1HB   LEU  14           HB1      LEU  14  -4.271   3.610   3.610
  117   2HB   LEU  14           HB2      LEU  14  -5.853   2.984   2.984
  118    HG   LEU  14           HG       LEU  14  -5.402   3.768   3.768
  119   1HD1  LEU  14          HD13      LEU  14  -2.930   4.707   4.707
  120   2HD1  LEU  14          HD11      LEU  14  -2.730   4.020   4.020
  121   3HD1  LEU  14          HD12      LEU  14  -3.793   5.406   5.406
  122   1HD2  LEU  14          HD23      LEU  14  -4.044   1.615   1.615
  123   2HD2  LEU  14          HD21      LEU  14  -4.871   1.567   1.567
  124   3HD2  LEU  14          HD22      LEU  14  -3.188   2.089   2.089
  125    H    GLU  15           HN       GLU  15  -5.476   4.926   4.926
  126    HA   GLU  15           HA       GLU  15  -8.033   4.024   4.024
  127   1HB   GLU  15           HB1      GLU  15  -5.908   4.284   4.284
  128   2HB   GLU  15           HB2      GLU  15  -6.420   5.956   5.956
  129   1HG   GLU  15           HG1      GLU  15  -8.737   4.483   4.483
  130   2HG   GLU  15           HG2      GLU  15  -7.466   3.504   3.504
  131    H    ALA  16           HN       ALA  16  -6.871   7.344   7.344
  132    HA   ALA  16           HA       ALA  16  -9.170   8.706   8.706
  133   1HB   ALA  16           HB2      ALA  16  -7.274   9.457   9.457
  134   2HB   ALA  16           HB3      ALA  16  -8.441  10.557  10.557
  135   3HB   ALA  16           HB1      ALA  16  -7.114   9.906   9.906
  136    H    ARG  17           HN       ARG  17  -8.489   7.217   7.217
  137    HA   ARG  17           HA       ARG  17 -11.325   7.786   7.786
  138   1HB   ARG  17           HB1      ARG  17 -10.578   7.693   7.693
  139   2HB   ARG  17           HB2      ARG  17  -9.670   8.919   8.919
  140   1HG   ARG  17           HG1      ARG  17  -8.026   6.868   6.868
  141   2HG   ARG  17           HG2      ARG  17  -8.767   6.262   6.262
  142   1HD   ARG  17           HD1      ARG  17  -8.129   8.271   8.271
  143   2HD   ARG  17           HD2      ARG  17  -7.544   9.022   9.022
  144    HE   ARG  17           HE       ARG  17  -5.858   7.044   7.044
  145   1HH1  ARG  17          HH21      ARG  17  -5.539   5.484   5.484
  146   2HH1  ARG  17          HH22      ARG  17  -4.991   6.356   6.356
  147   1HH2  ARG  17          HH11      ARG  17  -5.897   9.458   9.458
  148   2HH2  ARG  17          HH12      ARG  17  -5.192   8.605   8.605
  149    H    GLY  18           HN       GLY  18 -10.761   5.563   5.563
  150   1HA   GLY  18           HA1      GLY  18 -10.724   3.280   3.280
  151   2HA   GLY  18           HA2      GLY  18 -10.385   3.149   3.149
  152    H    THR  19           HN       THR  19 -12.921   5.244   5.244
  153    HA   THR  19           HA       THR  19 -15.239   5.027   5.027
  154    HB   THR  19           HB       THR  19 -15.379   2.207   2.207
  155    HG1  THR  19           HG1      THR  19 -14.157   2.423   2.423
  156   1HG2  THR  19          HG21      THR  19 -16.901   4.650   4.650
  157   2HG2  THR  19          HG22      THR  19 -16.723   3.982   3.982
  158   3HG2  THR  19          HG23      THR  19 -17.430   3.002   3.002
  159    H    ASP  20           HN       ASP  20 -14.426   4.969   4.969
  160    HA   ASP  20           HA       ASP  20 -14.529   4.052   4.052
  161   1HB   ASP  20           HB1      ASP  20 -16.923   3.701   3.701
  162   2HB   ASP  20           HB2      ASP  20 -16.446   2.023   2.023
  163    H    SER  21           HN       SER  21 -12.333   3.185   3.185
  164    HA   SER  21           HA       SER  21 -12.224   0.260   0.260
  165   1HB   SER  21           HB1      SER  21  -9.702   0.836   0.836
  166   2HB   SER  21           HB2      SER  21 -10.905   1.062   1.062
  167    HG   SER  21           HG       SER  21 -10.198   3.107   3.107
  168    H    ASN  22           HN       ASN  22 -12.879   0.997   0.997
  169    HA   ASN  22           HA       ASN  22 -10.344   1.158   1.158
  170   1HB   ASN  22           HB1      ASN  22 -11.920   1.520   1.520
  171   2HB   ASN  22           HB2      ASN  22 -11.971   2.776   2.776
  172   1HD2  ASN  22          HD22      ASN  22 -15.482   2.305   2.305
  173   2HD2  ASN  22          HD21      ASN  22 -14.201   3.367   3.367
  174    H    ALA  23           HN       ALA  23 -11.778  -1.212  -1.212
  175    HA   ALA  23           HA       ALA  23 -11.662  -3.038  -3.038
  176   1HB   ALA  23           HB3      ALA  23 -13.943  -2.779  -2.779
  177   2HB   ALA  23           HB1      ALA  23 -13.266  -3.477  -3.477
  178   3HB   ALA  23           HB2      ALA  23 -13.330  -4.433  -4.433
  179    H    GLU  24           HN       GLU  24 -11.196  -2.871  -2.871
  180    HA   GLU  24           HA       GLU  24  -9.709  -5.315  -5.315
  181   1HB   GLU  24           HB1      GLU  24  -9.937  -2.902  -2.902
  182   2HB   GLU  24           HB2      GLU  24  -8.915  -4.281  -4.281
  183   1HG   GLU  24           HG1      GLU  24 -11.645  -4.990  -4.990
  184   2HG   GLU  24           HG2      GLU  24 -11.573  -4.084  -4.084
  185    H    LEU  25           HN       LEU  25  -8.906  -2.347  -2.347
  186    HA   LEU  25           HA       LEU  25  -6.257  -1.829  -1.829
  187   1HB   LEU  25           HB1      LEU  25  -7.818  -1.604  -1.604
  188   2HB   LEU  25           HB2      LEU  25  -6.067  -1.415  -1.415
  189    HG   LEU  25           HG       LEU  25  -7.845   0.112   0.112
  190   1HD1  LEU  25          HD13      LEU  25  -7.316   0.494   0.494
  191   2HD1  LEU  25          HD11      LEU  25  -6.677   1.845   1.845
  192   3HD1  LEU  25          HD12      LEU  25  -8.382   1.414   1.414
  193   1HD2  LEU  25          HD22      LEU  25  -4.964  -0.221  -0.221
  194   2HD2  LEU  25          HD23      LEU  25  -5.851   0.531   0.531
  195   3HD2  LEU  25          HD21      LEU  25  -5.448   1.471   1.471
  196    H    ARG  26           HN       ARG  26  -7.511  -4.465  -4.465
  197    HA   ARG  26           HA       ARG  26  -5.016  -5.388  -5.388
  198   1HB   ARG  26           HB1      ARG  26  -7.753  -6.370  -6.370
  199   2HB   ARG  26           HB2      ARG  26  -6.581  -7.670  -7.670
  200   1HG   ARG  26           HG1      ARG  26  -6.446  -7.696  -7.696
  201   2HG   ARG  26           HG2      ARG  26  -5.502  -6.216  -6.216
  202   1HD   ARG  26           HD1      ARG  26  -8.520  -6.340  -6.340
  203   2HD   ARG  26           HD2      ARG  26  -7.388  -5.933  -5.933
  204    HE   ARG  26           HE       ARG  26  -7.982  -4.235  -4.235
  205   1HH1  ARG  26          HH21      ARG  26  -5.305  -4.661  -4.661
  206   2HH1  ARG  26          HH22      ARG  26  -5.308  -3.090  -3.090
  207   1HH2  ARG  26          HH11      ARG  26  -8.462  -2.257  -2.257
  208   2HH2  ARG  26          HH12      ARG  26  -7.097  -1.730  -1.730
  209    H    ALA  27           HN       ALA  27  -6.820  -6.388  -6.388
  210    HA   ALA  27           HA       ALA  27  -4.932  -8.286  -8.286
  211   1HB   ALA  27           HB2      ALA  27  -7.260  -7.892  -7.892
  212   2HB   ALA  27           HB3      ALA  27  -6.613  -6.483  -6.483
  213   3HB   ALA  27           HB1      ALA  27  -6.009  -8.094  -8.094
  214    H    MET  28           HN       MET  28  -5.237  -4.819  -4.819
  215    HA   MET  28           HA       MET  28  -2.948  -4.716  -4.716
  216   1HB   MET  28           HB1      MET  28  -4.806  -2.927  -2.927
  217   2HB   MET  28           HB2      MET  28  -3.721  -2.396  -2.396
  218   1HG   MET  28           HG1      MET  28  -3.043  -1.104  -1.104
  219   2HG   MET  28           HG2      MET  28  -1.885  -2.435  -2.435
  220   1HE   MET  28           HE3      MET  28  -1.691  -4.172  -4.172
  221   2HE   MET  28           HE1      MET  28  -2.419  -4.561  -4.561
  222   3HE   MET  28           HE2      MET  28  -1.286  -3.219  -3.219
  223    H    GLU  29           HN       GLU  29  -3.256  -4.762  -4.762
  224    HA   GLU  29           HA       GLU  29  -0.620  -3.731  -3.731
  225   1HB   GLU  29           HB1      GLU  29  -2.766  -5.153  -5.153
  226   2HB   GLU  29           HB2      GLU  29  -1.133  -5.227  -5.227
  227   1HG   GLU  29           HG1      GLU  29  -0.986  -2.841  -2.841
  228   2HG   GLU  29           HG2      GLU  29  -2.434  -2.630  -2.630
  229    H    ALA  30           HN       ALA  30  -1.933  -6.965  -6.965
  230    HA   ALA  30           HA       ALA  30   0.391  -8.439  -8.439
  231   1HB   ALA  30           HB3      ALA  30  -2.115  -8.929  -8.929
  232   2HB   ALA  30           HB1      ALA  30  -0.772  -9.876  -9.876
  233   3HB   ALA  30           HB2      ALA  30  -1.207 -10.000 -10.000
  234    H    LYS  31           HN       LYS  31  -0.733  -7.550  -7.550
  235    HA   LYS  31           HA       LYS  31   1.629  -8.327  -8.327
  236   1HB   LYS  31           HB1      LYS  31  -0.626  -6.457  -6.457
  237   2HB   LYS  31           HB2      LYS  31   0.813  -6.366  -6.366
  238   1HG   LYS  31           HG1      LYS  31  -0.189  -8.053  -8.053
  239   2HG   LYS  31           HG2      LYS  31   0.431  -9.072  -9.072
  240   1HD   LYS  31           HD1      LYS  31  -1.720  -8.656  -8.656
  241   2HD   LYS  31           HD2      LYS  31  -2.328  -7.826  -7.826
  242   1HE   LYS  31           HE1      LYS  31  -1.714 -10.739 -10.739
  243   2HE   LYS  31           HE2      LYS  31  -3.120  -9.988  -9.988
  244   1HZ   LYS  31           HZ2      LYS  31  -1.494  -9.190  -9.190
  245   2HZ   LYS  31           HZ3      LYS  31  -0.398 -10.316 -10.316
  246   3HZ   LYS  31           HZ1      LYS  31  -1.871 -10.847 -10.847
  247    H    LEU  32           HN       LEU  32   0.966  -5.519  -5.519
  248    HA   LEU  32           HA       LEU  32   2.794  -3.637  -3.637
  249   1HB   LEU  32           HB1      LEU  32   1.274  -3.329  -3.329
  250   2HB   LEU  32           HB2      LEU  32   2.390  -4.310  -4.310
  251    HG   LEU  32           HG       LEU  32   4.033  -2.435  -2.435
  252   1HD1  LEU  32          HD13      LEU  32   1.408  -1.412  -1.412
  253   2HD1  LEU  32          HD11      LEU  32   2.208  -0.595  -0.595
  254   3HD1  LEU  32          HD12      LEU  32   2.901  -0.515  -0.515
  255   1HD2  LEU  32          HD22      LEU  32   3.305  -3.286  -3.286
  256   2HD2  LEU  32          HD23      LEU  32   4.724  -2.348  -2.348
  257   3HD2  LEU  32          HD21      LEU  32   3.238  -1.524  -1.524
  258    H    LYS  33           HN       LYS  33   3.556  -6.027  -6.027
  259    HA   LYS  33           HA       LYS  33   6.348  -5.587  -5.587
  260   1HB   LYS  33           HB1      LYS  33   4.551  -7.365  -7.365
  261   2HB   LYS  33           HB2      LYS  33   5.761  -8.377  -8.377
  262   1HG   LYS  33           HG1      LYS  33   7.329  -6.407  -6.407
  263   2HG   LYS  33           HG2      LYS  33   6.047  -6.515  -6.515
  264   1HD   LYS  33           HD1      LYS  33   6.401  -8.993  -8.993
  265   2HD   LYS  33           HD2      LYS  33   7.766  -8.795  -8.795
  266   1HE   LYS  33           HE1      LYS  33   8.656  -7.092  -7.092
  267   2HE   LYS  33           HE2      LYS  33   7.478  -7.808  -7.808
  268   1HZ   LYS  33           HZ2      LYS  33   9.250  -9.582  -9.582
  269   2HZ   LYS  33           HZ3      LYS  33   9.884  -8.761  -8.761
  270   3HZ   LYS  33           HZ1      LYS  33   8.558  -9.802  -9.802
  271    H    ALA  34           HN       ALA  34   4.336  -7.440  -7.440
  272    HA   ALA  34           HA       ALA  34   6.413  -9.029  -9.029
  273   1HB   ALA  34           HB2      ALA  34   3.623  -8.308  -8.308
  274   2HB   ALA  34           HB3      ALA  34   4.625  -8.654  -8.654
  275   3HB   ALA  34           HB1      ALA  34   4.442  -9.863  -9.863
  276    H    GLU  35           HN       GLU  35   5.259  -5.745  -5.745
  277    HA   GLU  35           HA       GLU  35   6.817  -5.401  -5.401
  278   1HB   GLU  35           HB1      GLU  35   4.733  -4.049  -4.049
  279   2HB   GLU  35           HB2      GLU  35   6.015  -3.055  -3.055
  280   1HG   GLU  35           HG1      GLU  35   5.907  -2.008  -2.008
  281   2HG   GLU  35           HG2      GLU  35   6.955  -3.338  -3.338
  282    H    ILE  36           HN       ILE  36   7.230  -4.311  -4.311
  283    HA   ILE  36           HA       ILE  36   9.640  -2.913  -2.913
  284    HB   ILE  36           HB       ILE  36   8.870  -4.768  -4.768
  285   1HG1  ILE  36          HG11      ILE  36   8.518  -1.883  -1.883
  286   2HG1  ILE  36          HG12      ILE  36   7.521  -2.531  -2.531
  287   1HG2  ILE  36          HG23      ILE  36  11.288  -3.927  -3.927
  288   2HG2  ILE  36          HG21      ILE  36  10.630  -2.311  -2.311
  289   3HG2  ILE  36          HG22      ILE  36  10.424  -3.552  -3.552
  290   1HD1  ILE  36          HD13      ILE  36   7.584  -4.204  -4.204
  291   2HD1  ILE  36          HD11      ILE  36   6.854  -2.616  -2.616
  292   3HD1  ILE  36          HD12      ILE  36   6.210  -3.709  -3.709
  293    H    GLN  37           HN       GLN  37   9.095  -6.392  -6.392
  294    HA   GLN  37           HA       GLN  37  11.782  -7.241  -7.241
  295   1HB   GLN  37           HB1      GLN  37   9.317  -8.469  -8.469
  296   2HB   GLN  37           HB2      GLN  37  10.357  -8.900  -8.900
  297   1HG   GLN  37           HG1      GLN  37  11.112 -10.530 -10.530
  298   2HG   GLN  37           HG2      GLN  37  12.074  -9.226  -9.226
  299   1HE2  GLN  37          HE22      GLN  37   8.579 -10.213 -10.213
  300   2HE2  GLN  37          HE21      GLN  37   8.621 -10.285 -10.285
  301    H    LYS  38           HN       LYS  38   9.961  -6.648  -6.648
  302    HA   LYS  38           HA       LYS  38  12.217  -7.070  -7.070
  303   1HB   LYS  38           HB1      LYS  38   9.966  -7.179  -7.179
  304   2HB   LYS  38           HB2      LYS  38   9.655  -5.509  -5.509
  305   1HG   LYS  38           HG1      LYS  38  10.760  -4.676  -4.676
  306   2HG   LYS  38           HG2      LYS  38  12.064  -5.856  -5.856
  307   1HD   LYS  38           HD1      LYS  38  10.720  -7.554  -7.554
  308   2HD   LYS  38           HD2      LYS  38   9.305  -6.500  -6.500
  309   1HE   LYS  38           HE1      LYS  38  10.468  -6.555  -6.555
  310   2HE   LYS  38           HE2      LYS  38  10.408  -4.939  -4.939
  311   1HZ   LYS  38           HZ3      LYS  38  12.713  -6.477  -6.477
  312   2HZ   LYS  38           HZ1      LYS  38  12.644  -6.158  -6.158
  313   3HZ   LYS  38           HZ2      LYS  38  12.611  -4.874  -4.874
  314   1HN   NH2  39          1HN       NH2  39  10.659  -3.778  -3.778
  315   2HN   NH2  39          2HN       NH2  39  12.044  -3.085  -3.085