*HEADER    ANTAGONIST                              27-AUG-96   1ONT      
*TITLE     NMDA RECEPTOR ANTAGONIST, CONANTOKIN-T, NMR, 17 STRUCTURES    
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: CONANTOKIN-T;                                      
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: CON-T;                                              
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS TULIPA;                           
*SOURCE   4 ORGANISM_COMMON: FISH-HUNTING CONE SNAIL                     
*KEYWDS    NMDA RECEPTOR, ANTAGONIST, CONANTOKIN-T                       
*EXPDTA    NMR, 17 STRUCTURES                                            
*AUTHOR    N.SKJAERBAEK,K.J.NIELSEN,R.J.LEWIS,P.F.ALEWOOD,D.J.CRAIK      
*REVDAT   1   12-OCT-04 1ONT    0   



!noe.tbl

!  NOE table  May '96
! 
!residue gly1

!residue Glu2
assign (resid  2  and name HA   ) (resid   2 and name HN   ) 0 0 3.5 !B9 M  
assign (resid  1  and name HA*  ) (resid   2 and name HN   ) 0 0 6.0 !B10 M 
assign (resid  2  and name HG*  ) (resid   2 and name HN   ) 0 0 4.5 !B12 M 
assign (resid  3  and name HB*  ) (resid   2 and name HN   ) 0 0 7.0 !B13 vW
assign (resid  2  and name HB*  ) (resid   2 and name HN   ) 0 0 4.5 !B14 M  
assign (resid  5  and name HB1  ) (resid   2 and name HA   ) 0 0 3.5 !C7 M   
assign (resid  5  and name HB2  ) (resid   2 and name HA   ) 0 0 3.5 !C8 M   

!residue Gla3
assign (resid   2 and name HN   ) (resid   3 and name HN   ) 0 0 3.5 ! A1 M 
assign (resid   2 and name HA   ) (resid   3 and name HN   ) 0 0 5.0 !B1 W     
assign (resid   3 and name HA   ) (resid   3 and name HN   ) 0 0 3.5 !B2 M  
assign (resid   1 and name HA*  ) (resid   3 and name HN   ) 0 0 6.0 !B3 W  
assign (resid   3 and name HG   ) (resid   3 and name HN   ) 0 0 3.5 !B4 M  
assign (resid   4 and name HB*  ) (resid   3 and name HN   ) 0 0 7.0 !B5 vW 
assign (resid   2 and name HG*  ) (resid   3 and name HN   ) 0 0 5.0 !B6 W  
assign (resid   3 and name HB*  ) (resid   3 and name HN   ) 0 0 3.7 !B7 S  
assign (resid   2 and name HB*  ) (resid   3 and name HN   ) 0 0 4.5 !B8 M  
assign (resid   6 and name HB*  ) (resid   3 and name HA   ) 0 0 4.5 !C16 M 

!residue Gla4
assign (resid   3 and name HN    ) (resid   4 and name HN   ) 0 0 2.7 !A2 S     
assign (resid   2 and name HN    ) (resid   4 and name HN   ) 0 0 5.0 !A3 W  
assign (resid   5 and name HA    ) (resid   4 and name HN   ) 0 0 6.0 !B46 vW  
assign (resid   2 and name HA    ) (resid   4 and name HN   ) 0 0 6.0 !B47 vW  
assign (resid   3 and name HA    ) (resid   4 and name HN   ) 0 0 5.0 !B48 W 
assign (resid   4 and name HA    ) (resid   4 and name HN   ) 0 0 3.5 !B49 M 
assign (resid   4 and name HG    ) (resid   4 and name HN   ) 0 0 3.5 !B50 M   
assign (resid   5 and name HB*   ) (resid   4 and name HN   ) 0 0 6.0 !B51 vW  
assign (resid   4 and name HB1   ) (resid   4 and name HN   ) 0 0 3.5 !B52 S   
assign (resid   4 and name HB2   ) (resid   4 and name HN   ) 0 0 3.5 !B54 M   
assign (resid   3 and name HB*   ) (resid   4 and name HN   ) 0 0 4.5 !B53 M   
assign (resid   7 and name HB*   ) (resid   4 and name HA   ) 0 0 6.0 !B53 w   
!assign (resid     and name       ) (resid   4 and name HN   ) 0 0     !B55 vW  

!residue Tyr5
assign (resid  5  and name HN   ) (resid   5 and name HD*  ) 0 0 5.5 ! A19 M  
assign (resid  6  and name HN   ) (resid   5 and name HD*  ) 0 0 5.5 ! A18 M  
assign (resid  7  and name HN   ) (resid   5 and name HD*  ) 0 0 7.0 ! A20 W
assign (resid  5  and name HA   ) (resid   5 and name HN   ) 0 0 3.5 ! B56 M 
assign (resid  2  and name HA   ) (resid   5 and name HN   ) 0 0 5.0 ! B57 W
assign (resid  3  and name HA   ) (resid   5 and name HN   ) 0 0 5.0 ! B58 W
assign (resid  4  and name HA   ) (resid   5 and name HN   ) 0 0 3.5 ! B59 M
assign (resid  4  and name HN   ) (resid   5 and name HN   ) 0 0 2.7 ! B59 M
assign (resid  6  and name HA   ) (resid   5 and name HN   ) 0 0 6.0 ! B60 vW
assign (resid  5  and name HB1  ) (resid   5 and name HN   ) 0 0 3.5 ! B61 S
assign (resid  5  and name HB2  ) (resid   5 and name HN   ) 0 0 3.5 ! B62 M
assign (resid  4  and name HB1  ) (resid   5 and name HN   ) 0 0 5.0 ! B63 M
assign (resid  4  and name HB2  ) (resid   5 and name HN   ) 0 0 5.0 ! B64 W
assign (resid  9  and name HD** ) (resid   5 and name HN   ) 0 0 9.0 ! B65 vW
assign (resid  5  and name HA   ) (resid   5 and name HD*  ) 0 0 4.7 ! B195 S
assign (resid  2  and name HA   ) (resid   5 and name HD*  ) 0 0 7.0 ! B196 W
assign (resid  6  and name HA   ) (resid   5 and name HD*  ) 0 0 7.0 ! B197 W
assign (resid  5  and name HB1  ) (resid   5 and name HD*  ) 0 0 5.5 ! B198
assign (resid  5  and name HB1  ) (resid   5 and name HE*  ) 0 0 7.0 ! B209 W
assign (resid  5  and name HB2  ) (resid   5 and name HD*  ) 0 0 5.5 ! B199 M
assign (resid  5  and name HB2  ) (resid   5 and name HE*  ) 0 0 7.0 ! B210 W
assign (resid  6  and name HG*  ) (resid   5 and name HD*  ) 0 0 8.0 ! B202 W
assign (resid  2  and name HG*  ) (resid   5 and name HD*  ) 0 0 9.0 ! B203 vW
assign (resid  6  and name HB*  ) (resid   5 and name HD*  ) 0 0 8.0 ! B204 W 
assign (resid  8  and name HE*  ) (resid   5 and name HD*  ) 0 0 7.0 ! B205 W 
assign (resid  8  and name HE*  ) (resid   5 and name HE*  ) 0 0 7.0 ! B211 M 
assign (resid  9  and name HB*  ) (resid   5 and name HD*  ) 0 0 8.0 ! B206 W
assign (resid  9  and name HB*  ) (resid   5 and name HE*  ) 0 0 8.0 ! B206 W
assign (resid  9  and name HD*  ) (resid   5 and name HD*  ) 0 0 8.5 ! B207 W 
assign (resid  9  and name HD*  ) (resid   5 and name HE*  ) 0 0 7.7 ! B213 S 
assign (resid  8  and name HB1  ) (resid   5 and name HA   ) 0 0 5.0 ! C3 W   
assign (resid  8  and name HB2  ) (resid   5 and name HA   ) 0 0 5.0 ! C4 M   
assign (resid  6  and name HB*  ) (resid   5 and name HA   ) 0 0 6.0 ! C5 W   
assign (resid  8  and name HE*  ) (resid   5 and name HA   ) 0 0 6.5 ! C6 W   

!residue Gln6
assign (resid  5  and name HN    ) (resid   6 and name HN   ) 0 0 2.7 !A10 M 
assign (resid  5  and name HA    ) (resid   6 and name HN   ) 0 0 5.0 !B35 W    
assign (resid  2  and name HA    ) (resid   6 and name HN   ) 0 0 6.0 !B36 vW
assign (resid  3  and name HA    ) (resid   6 and name HN   ) 0 0 5.0 !B37 W  
assign (resid  4  and name HA    ) (resid   6 and name HN   ) 0 0 5.0 !B38 W 
assign (resid  6  and name HA    ) (resid   6 and name HN   ) 0 0 3.5 !B39 M 
assign (resid  5  and name HB1   ) (resid   6 and name HN   ) 0 0 5.0 !B40 W 
assign (resid  5  and name HB2   ) (resid   6 and name HN   ) 0 0 5.0 !B41 W 
assign (resid  6  and name HG*   ) (resid   6 and name HN   ) 0 0 4.5 !B42 M 
assign (resid  6  and name HB*   ) (resid   6 and name HN   ) 0 0 4.5 !B43 M 
assign (resid  9  and name HB*   ) (resid   6 and name HN   ) 0 0 7.0 !B44 vW
assign (resid  9  and name HD**  ) (resid   6 and name HN   ) 0 0 9.0 !B45 vW
!assign (resid 10/14  and name HG    ) (resid   6 and name H1   ) 0 0 5.0 !B146 W
assign (resid  6  and name HG*   ) (resid   6 and name H1   ) 0 0 4.0 !B147 M
assign (resid  9  and name HD**  ) (resid   6 and name H1   ) 0 0 9.0 !B148 vW
assign (resid  6  and name HA    ) (resid   6 and name H2   ) 0 0 6.0 !B214 vW
assign (resid  9  and name HD**  ) (resid   6 and name H2   ) 0 0 8.0 !B215 W
assign (resid  9  and name HB1   ) (resid   6 and name HA   ) 0 0 3.5 !C25 M 
assign (resid  9  and name HB2   ) (resid   6 and name HA   ) 0 0 3.5 !C26 M 
assign (resid  9  and name HD**  ) (resid   6 and name HA   ) 0 0 8.0 !C27 W 

!residue Lys7
assign (resid   6 and name HN   ) (resid   7 and name HN   ) 0 0 2.7 !A11 S      
assign (resid   5 and name HN   ) (resid   7 and name HN   ) 0 0 5.0 !A12 W      
assign (resid   5 and name HA   ) (resid   7 and name HN   ) 0 0 6.0 !B142 vW
assign (resid   7 and name HA   ) (resid   7 and name HN   ) 0 0 3.5 !B143 M 
assign (resid   6 and name HA   ) (resid   7 and name HN   ) 0 0 5.0 !B144 W  
assign (resid   6 and name HB*  ) (resid   7 and name HN   ) 0 0 4.5 !B145 M  
assign (resid  10 and name HB*  ) (resid   7 and name HA   ) 0 0 4.5 !C19 M   

!residue Met8
assign (resid   5 and name HA   ) (resid   8 and name HN   ) 0 0 5.0 !B160 W  
assign (resid   8 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 !B160 M  
assign (resid   7 and name HA   ) (resid   8 and name HN   ) 0 0 5.0 !B162 W  
assign (resid   6 and name HA   ) (resid   8 and name HN   ) 0 0 6.0 !B163 vW   
assign (resid   8 and name HG*  ) (resid   8 and name HN   ) 0 0 6.0 !B164 W   
assign (resid   8 and name HB1  ) (resid   8 and name HN   ) 0 0 5.0 !B165 W  
assign (resid   8 and name HB2  ) (resid   8 and name HN   ) 0 0 5.0 !B166 M  
assign (resid   7 and name HB*  ) (resid   8 and name HN   ) 0 0 4.5 !B167 M   
assign (resid   9 and name HD** ) (resid   8 and name HN   ) 0 0 9.0 !B168 vW  
assign (resid  11 and name HB1  ) (resid   8 and name HA   ) 0 0 3.5 !C9 M     
assign (resid  11 and name HB2  ) (resid   8 and name HA   ) 0 0 3.5 !C10 M    

!residue Leu9
assign (resid  8  and name HN    ) (resid   9 and name HN   ) 0 0 2.7 !A24 M  
assign (resid  5  and name HA    ) (resid   9 and name HN   ) 0 0 6.0 !B113 vW 
assign (resid  8  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 !B114 M 
assign (resid  7  and name HA    ) (resid   9 and name HN   ) 0 0 5.0 !B115 W 
assign (resid  9  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 !B116 M 
assign (resid  6  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 !B117 M 
assign (resid  8  and name HG*   ) (resid   9 and name HN   ) 0 0 7.0 !B118 vW
assign (resid  8  and name HB1   ) (resid   9 and name HN   ) 0 0 6.0 !B119 vW
assign (resid  8  and name HB2   ) (resid   9 and name HN   ) 0 0 6.0 !B120 M 
!assign (resid  6/16  and name HB*   ) (resid   9 and name HN   ) 0 0 4.5 !B121 M 
assign (resid  9  and name HG    ) (resid   9 and name HN   ) 0 0 3.5 !B122 M 
assign (resid  9  and name HB*   ) (resid   9 and name HN   ) 0 0 4.5 !B123 M 
assign (resid  9  and name HD**  ) (resid   9 and name HN   ) 0 0 6.5 !B124 M 
assign (resid  8  and name HE*   ) (resid   9 and name HA   ) 0 0 6.5 !C20 W  
assign (resid 12  and name HB1   ) (resid   9 and name HA   ) 0 0 3.5 !C21 M  
assign (resid 12  and name HB2   ) (resid   9 and name HA   ) 0 0 3.5 !C22 M  
assign (resid 12  and name HD1*  ) (resid   9 and name HA   ) 0 0 7.5 !C23 M  
assign (resid 12  and name HD2*  ) (resid   9 and name HA   ) 0 0 7.5 !C24 vW 

!residue Gla10
assign (resid  9  and name HN     ) (resid   10 and name HN   ) 0 0 3.5 ! A13 M
assign (resid  10 and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B66 W
assign (resid  7  and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B67 W
assign (resid  9  and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B68 W
assign (resid  6  and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B69 W
assign (resid  10 and name HG     ) (resid   10 and name HN   ) 0 0 3.5 ! B70 M 
assign (resid  10 and name HB1    ) (resid   10 and name HN   ) 0 0 3.5 ! B71 M  
assign (resid  10 and name HB2    ) (resid   10 and name HN   ) 0 0 3.5 ! B72 M  
!assign (resid  9  and name HB1/HG    ) (resid   10 and name HN   ) 0 0 3.5 ! B73 M  
assign (resid   9 and name HB2    ) (resid   10 and name HN   ) 0 0 3.5 ! B74 M  
assign (resid   9 and name HD**   ) (resid   10 and name HN   ) 0 0 8.0 ! B75 W  
assign (resid  13 and name HB*    ) (resid   10 and name HA   ) 0 0 6.0 ! C17 OL 

!residue Asn11
assign (resid  10  and name HN    ) (resid   11 and name HN   ) 0 0 3.5 !A4 M  
assign (resid   9  and name HN    ) (resid   11 and name HN   ) 0 0 5.0 !A7 W  
assign (resid  11  and name H1    ) (resid   11 and name HN   ) 0 0 5.0 !A9 W  
assign (resid  11  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !B15 M 
assign (resid  10  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !B16 M 
assign (resid   7  and name HA    ) (resid   11 and name HN   ) 0 0 5.0 !B17 W 
assign (resid   9  and name HA    ) (resid   11 and name HN   ) 0 0 5.0 !B18 W  
!assign (resid  10/14  and name HG    ) (resid   11 and name HN   ) 0 0 3.5 !B19 M 
assign (resid  11  and name HB1   ) (resid   11 and name HN   ) 0 0 3.5 !B20 M
assign (resid  11  and name HB2   ) (resid   11 and name HN   ) 0 0 3.5 !B21 M
assign (resid  10  and name HB1   ) (resid   11 and name HN   ) 0 0 5.0 !B22 M
assign (resid  10  and name HB2   ) (resid   11 and name HN   ) 0 0 5.0 !B23 W
assign (resid  12  and name HG    ) (resid   11 and name HN   ) 0 0 6.0 !B24 vW
assign (resid  12  and name HB1   ) (resid   11 and name HN   ) 0 0 6.0 !B24 vW
assign (resid  12  and name HB2   ) (resid   11 and name HN   ) 0 0 6.0 !B25 vW
assign (resid  11  and name HA    ) (resid   11 and name H1   ) 0 0 6.0 !B185 W
assign (resid  11  and name HA    ) (resid   12 and name H1   ) 0 0 6.0 !B217 vW
!assign (resid  8/10  and name HA    ) (resid   11 and name H1   ) 0 0 6.0 !B186 W
!assign (resid  8/10  and name HA    ) (resid   11 and name H2   ) 0 0 6.0 !B218 W
assign (resid  11  and name HB*   ) (resid   11 and name H1   ) 0 0 5.0 !B188 W
assign (resid  11  and name HB1   ) (resid   11 and name H2   ) 0 0 5.0 !B219 W
assign (resid  11  and name HB2   ) (resid   11 and name H2   ) 0 0 5.0 !B220 W
assign (resid  12  and name HG    ) (resid   11 and name H1   ) 0 0 6.0 !B192 vW
assign (resid  14  and name HB2   ) (resid   11 and name HA   ) 0 0 3.5 !C1 M   
assign (resid  14  and name HB1   ) (resid   11 and name HA   ) 0 0 3.5 !C2 M   

!residue Leu12
assign (resid  11  and name HN   ) (resid   12 and name HN   ) 0 0 3.5 !A5 M   
assign (resid  11  and name HA   ) (resid   12 and name HN   ) 0 0 5.0 !B81 W  
assign (resid  12  and name HA   ) (resid   12 and name HN   ) 0 0 3.5 !B82 M  
assign (resid   9  and name HA   ) (resid   12 and name HN   ) 0 0 5.0 !B83 W 
assign (resid  11  and name HB1  ) (resid   12 and name HN   ) 0 0 5.0 !B84 M  
assign (resid  11  and name HB2  ) (resid   12 and name HN   ) 0 0 5.0 !B85 W 
assign (resid  14  and name HB1  ) (resid   12 and name HN   ) 0 0 6.0 !B86 vW
assign (resid  14  and name HB2  ) (resid   12 and name HN   ) 0 0 6.0 !B87 vW
assign (resid  12  and name HG   ) (resid   12 and name HN   ) 0 0 3.5 !B88 M 
assign (resid  12  and name HB1  ) (resid   12 and name HN   ) 0 0 3.5 !B89 M 
assign (resid  12  and name HB2  ) (resid   12 and name HN   ) 0 0 3.5 !B90 M 
assign (resid  12  and name HD** ) (resid   12 and name HN   ) 0 0 6.5 !B92 M 
assign (resid   9  and name HD** ) (resid   12 and name HN   ) 0 0 9.0 !B93 vW

!residue Arg13
assign (resid  12  and name HN   ) (resid   13 and name HN   ) 0 0 3.5 !A14 M
assign (resid  11  and name HA   ) (resid   13 and name HN   ) 0 0 6.0 !B94 vW
assign (resid  12  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !B95 M
assign (resid  13  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !B96 M
assign (resid   9  and name HA   ) (resid   13 and name HN   ) 0 0 5.0 !B97 W
assign (resid  13  and name HD*  ) (resid   13 and name HN   ) 0 0 7.0 !B98 vW
assign (resid  13  and name HB1  ) (resid   13 and name HN   ) 0 0 5.0 !B99 M
assign (resid  13  and name HB2  ) (resid   13 and name HN   ) 0 0 5.0 !B102 W
assign (resid  12  and name HG   ) (resid   13 and name HN   ) 0 0 5.0 !B100 W
assign (resid  12  and name HB1  ) (resid   13 and name HN   ) 0 0 5.0 !B101 W
assign (resid  12  and name HB2  ) (resid   13 and name HN   ) 0 0 5.0 !B103 M
assign (resid  12  and name HD** ) (resid   13 and name HN   ) 0 0 8.0 !B105 W
assign (resid  12  and name HA   ) (resid   13 and name HH** ) 0 0 8.0 !B178 W
!assign (resid  10/14 and name HG   ) (resid   13 and name HH** ) 0 0 8.0 !B179 vW
assign (resid  13  and name HD1  ) (resid   13 and name HH** ) 0 0 5.5 !B180 M
assign (resid  13  and name HD2  ) (resid   13 and name HH** ) 0 0 5.5 !B181 M
assign (resid  13  and name HB1  ) (resid   13 and name HH** ) 0 0 7.0 !B182 W
assign (resid  13  and name HB2  ) (resid   13 and name HH** ) 0 0 7.0 !B183 W
assign (resid  13  and name HG*  ) (resid   13 and name HH** ) 0 0 7.0 !B184 W
assign (resid  16  and name HB*  ) (resid   13 and name HA   ) 0 0 4.5 !C18 M  
 
!residue Gla14
assign (resid  13  and name HN   ) (resid   14 and name HN   ) 0 0 3.5 !A8 M 
assign (resid  11  and name HA    ) (resid   14 and name HN   ) 0 0 3.5 !B26 M 
assign (resid  14  and name HA    ) (resid   14 and name HN   ) 0 0 3.5 !B27 M  
assign (resid  13  and name HA    ) (resid   14 and name HN   ) 0 0 5.0 !B28 W 
assign (resid  14  and name HG    ) (resid   14 and name HN   ) 0 0 3.5 !B29 M 
assign (resid  14  and name HB*   ) (resid   14 and name HN   ) 0 0 4.5 !B30 +B31 M
assign (resid  13  and name HB*   ) (resid   14 and name HN   ) 0 0 6.0 !B32(M)+B32(vW)
assign (resid  13  and name HG*   ) (resid   14 and name HN   ) 0 0 6.0 !B34 W 
assign (resid  17  and name HB    ) (resid   14 and name HA   ) 0 0 3.5 !C13 M 
assign (resid  17  and name HG1*  ) (resid   14 and name HA   ) 0 0 6.5 !C14 M 
assign (resid  17  and name HG2*  ) (resid   14 and name HA   ) 0 0 6.5 !C15 W 

!residue Ala15
assign (resid  14  and name HN   ) (resid   15 and name HN   ) 0 0 2.7 ! A6 M
!assign (resid  14/15 and name HA   ) (resid   15 and name HN   ) 0 0     ! B106 OL
assign (resid  11  and name HA   ) (resid   15 and name HN   ) 0 0 6.0 ! B107 vW
assign (resid  13  and name HA   ) (resid   15 and name HN   ) 0 0 6.0 ! B107 vW
!assign (resid 10/14 and name HG   ) (resid   15 and name HN   ) 0 0 5.0 !B108 W
assign (resid  14  and name HB1  ) (resid   15 and name HN   ) 0 0 5.0 !B109 W 
assign (resid  14  and name HB2  ) (resid   15 and name HN   ) 0 0 5.0 !B110 W
assign (resid  15  and name HB*  ) (resid   15 and name HN   ) 0 0 4.3 !B111 S
assign (resid   9  and name HD** ) (resid   15 and name HN   ) 0 0 9.0 !B112 vW

! residue Glu16
assign (resid  15  and name HN   ) (resid   16 and name HN   ) 0 0 2.7 !A23 S 
assign (resid  15  and name HA   ) (resid   16 and name HN   ) 0 0 3.5 !B170 M
assign (resid  16  and name HA   ) (resid   16 and name HN   ) 0 0 3.5 !B171 M
assign (resid  17  and name HA   ) (resid   16 and name HN   ) 0 0 6.0 !B172 vW
assign (resid  16  and name HG*  ) (resid   16 and name HN   ) 0 0 4.5 !B173 M
assign (resid  16  and name HB*  ) (resid   16 and name HN   ) 0 0 3.7 !B174 S
!assign (resid  17/18/19  and name      ) (resid   16 and name HN   ) 0 0     !B175 vW
assign (resid  15  and name HB*  ) (resid   16 and name HN   ) 0 0 5.0 !B176 M
assign (resid  13  and name HA   ) (resid   16 and name HB*  ) 0 0 4.5 !B176 m
assign (resid  17  and name HG** ) (resid   16 and name HN   ) 0 0 9.0 !B177 vW

!residue Val17
assign (resid  16  and name HN   ) (resid   17 and name HN   ) 0 0 3.5 !A27 M 
assign (resid  16  and name HA   ) (resid   17 and name HN   ) 0 0 3.5 !A161 M
assign (resid  14  and name HA   ) (resid   17 and name HN   ) 0 0 5.0 !A161 w
assign (resid  13  and name HA   ) (resid   17 and name HN   ) 0 0 6.0 !A161 vw
assign (resid  17  and name HA   ) (resid   17 and name HN   ) 0 0 2.7 !B149 S
assign (resid  17  and name HB   ) (resid   17 and name HN   ) 0 0 2.7 !B150 S
assign (resid  16  and name HB*  ) (resid   17 and name HN   ) 0 0 6.0 !B151 W
assign (resid  17  and name HG1* ) (resid   17 and name HN   ) 0 0 6.5 !B152 S
assign (resid  17  and name HG2* ) (resid   17 and name HN   ) 0 0 6.5 !B153 S
assign (resid  20  and name HB1  ) (resid   17 and name HA   ) 0 0 5.0 !C11 W 
assign (resid  20  and name HB2  ) (resid   17 and name HA   ) 0 0 5.0 !C12 W 

!residue Lys18
assign (resid  16  and name HN    ) (resid   18 and name HN   ) 0 0 5.0 !A26 W 
assign (resid  18  and name HA    ) (resid   18 and name HN   ) 0 0 3.5 !B125 M
assign (resid  16  and name HA    ) (resid   18 and name HN   ) 0 0 5.0 !B126 W
assign (resid  15  and name HA    ) (resid   18 and name HN   ) 0 0 5.0 !B126 W
assign (resid  17  and name HA    ) (resid   18 and name HN   ) 0 0 5.0 !B127 M  
assign (resid  17  and name HN    ) (resid   18 and name HN   ) 0 0 2.7 !B127 M  
assign (resid  17  and name HB    ) (resid   18 and name HN   ) 0 0 3.5 !B128 M  
assign (resid  18  and name HB*   ) (resid   18 and name HN   ) 0 0 4.5 !B129 M  
assign (resid  18  and name HD*   ) (resid   18 and name HN   ) 0 0 6.0 !B130 W  
assign (resid  18  and name HG*   ) (resid   18 and name HN   ) 0 0 4.5 !B131 M  
assign (resid  17  and name HG1*  ) (resid   18 and name HN   ) 0 0 8.0 !B132 W  
assign (resid  17  and name HG2*  ) (resid   18 and name HN   ) 0 0 8.0 !B133 W  

!residue Lys19
assign (resid  18  and name HN    ) (resid   19 and name HN   ) 0 0 3.5 !A26 M  
assign (resid  20  and name HA    ) (resid   19 and name HN   ) 0 0 6.0 !B134 vW
!assign (resid  18  and name HA    ) (resid   19 and name HN   ) 0 0     !B135 OL
assign (resid  19  and name HA    ) (resid   19 and name HN   ) 0 0 3.5 !B136 M
assign (resid  17  and name HA    ) (resid   19 and name HN   ) 0 0 5.0 !B137 W  
assign (resid  16  and name HA    ) (resid   19 and name HN   ) 0 0 5.0 !B137 W  
assign (resid  19  and name HB1   ) (resid   19 and name HN   ) 0 0 5.0 !B138 S  
assign (resid  19  and name HB2   ) (resid   19 and name HN   ) 0 0 5.0 !B139 W  
assign (resid  19  and name HD*   ) (resid   19 and name HN   ) 0 0 6.0 !B140 W
assign (resid  19  and name HG*   ) (resid   19 and name HD*  ) 0 0 6.0 !B141 W 

!residue Asn20
assign (resid  19  and name HN   ) (resid   20 and name HN   ) 0 0 3.5 ! A15 M
assign (resid  20  and name H1   ) (resid   20 and name HN   ) 0 0 5.0 ! A17 W
assign (resid  20  and name HA   ) (resid   20 and name HN   ) 0 0 3.5 ! B76 M
assign (resid  19  and name HA   ) (resid   20 and name HN   ) 0 0 5.0 ! B77 M
assign (resid  17  and name HA   ) (resid   20 and name HN   ) 0 0 3.5 ! B78 M 
assign (resid  20  and name HB1  ) (resid   20 and name HN   ) 0 0 3.5 ! B79 M 
assign (resid  20  and name HB2  ) (resid   20 and name HN   ) 0 0 3.5 ! B80 M 
assign (resid  17  and name HA   ) (resid   20 and name H1   ) 0 0 6.0 ! B187 vW
assign (resid  20  and name HB*  ) (resid   20 and name H1   ) 0 0 5.0 ! B190 M 
!assign (resid  14/16  and name HB*/HG*  ) (resid   20 and name H1   ) 0 0     ! B191 W 

!residue Ala21
assign (resid  20  and name HN   ) (resid   21 and name HN   ) 0 0 3.5 !A16 M  
assign (resid  21  and name H1   ) (resid   21 and name HN   ) 0 0 3.5 !A22 M  
assign (resid  21  and name H2   ) (resid   21 and name HN   ) 0 0 5.0 !A21 W  
assign (resid  20  and name HA   ) (resid   21 and name HN   ) 0 0 3.5 !B154 W 
assign (resid  21  and name HA   ) (resid   21 and name HN   ) 0 0 3.5 !B155 M 
assign (resid  19  and name HA   ) (resid   21 and name HN   ) 0 0 5.0 !B156 W  
assign (resid  17  and name HA   ) (resid   21 and name HN   ) 0 0 6.0 !B156 vw 
assign (resid  20  and name HB1  ) (resid   21 and name HN   ) 0 0 5.0 !B157 W  
assign (resid  20  and name HB2  ) (resid   21 and name HN   ) 0 0 5.0 !B158 W  
assign (resid  21  and name HB*  ) (resid   21 and name HN   ) 0 0 4.2 !B159 S  
assign (resid  18  and name HA   ) (resid   21 and name HB*  ) 0 0 5.0 !B159 m  

! Terminal NH2
assign (resid  21  and name HA  ) (resid   21 and name H1    ) 0 0 6.0 !B193 vW
assign (resid  19  and name HA  ) (resid   21 and name H1    ) 0 0 6.0 !B194 vW
assign (resid  21  and name HB* ) (resid   21 and name H1    ) 0 0 6.5 !B195 W
assign (resid  21  and name HB* ) (resid   21 and name H2    ) 0 0 7.5 !B201 vW

!dihed.tbl
! phi angles
!! 1   
 assign (resid   1 and name C )   (resid   2 and name N ) 
        (resid   2 and name CA)   (resid   2 and name C )   1 -65.0   30.0  2
!! 2
 assign (resid   2 and name C )   (resid   3 and name N ) 
        (resid   3 and name CA)   (resid   3 and name C )   1 -65.0   30.0  2
!! 3   
 assign (resid   3 and name C )   (resid   4 and name N ) 
        (resid   4 and name CA)   (resid   4 and name C )   1 -65.0   30.0  2
!! 4   
 assign (resid   4 and name C )   (resid   5 and name N ) 
        (resid   5 and name CA)   (resid   5 and name C )   1 -65.0   30.0  2
!! 5
 assign (resid   5 and name C )   (resid   6 and name N ) 
        (resid   6 and name CA)   (resid   6 and name C )   1 -65.0    30.0  2
!! 6
 assign (resid   6 and name C )   (resid   7 and name N ) 
        (resid   7 and name CA)   (resid   7 and name C )   1 -65.0    30.0  2
!! 8
 assign (resid   7 and name C )   (resid   8 and name N ) 
        (resid   8 and name CA)   (resid   8 and name C )   1 -65.0    30.0  2
!! 9   
 assign (resid   8 and name C )   (resid   9 and name N ) 
        (resid   9 and name CA)   (resid   9 and name C )   1 -65.0   30.0  2
!! 10
 assign (resid  9 and name C )    (resid  10 and name N )
        (resid 10 and name CA)    (resid  10 and name C )   1 -65.0   30.0  2
!! 11
 assign (resid 10 and name C )    (resid  11 and name N )
        (resid 11 and name CA)    (resid  11 and name C )   1 -65.0   30.0  2 
!! 12
 assign (resid 11 and name C )    (resid  12 and name N )
        (resid 12 and name CA)    (resid  12 and name C )   1 -65.0   30.0  2
!! 13
 assign (resid 12 and name C )    (resid  13 and name N )
        (resid 13 and name CA)    (resid  13 and name C )   1 -65.0   30.0  2
!! 14
 assign (resid 13 and name C )    (resid  14 and name N )
        (resid 14 and name CA)    (resid  14 and name C )   1 -65.0   30.0  2
!! 15
 assign (resid 14 and name C )    (resid  15 and name N )
        (resid 15 and name CA)    (resid  15 and name C )   1 -65.0   30.0  2
!! 16
 assign (resid 15 and name C )    (resid  16 and name N )
        (resid 16 and name CA)    (resid  16 and name C )   1 -65.0   30.0  2
!! 17
 assign (resid 16 and name C )    (resid  17 and name N )
        (resid 17 and name CA)    (resid  17 and name C )   1 -65.0   30.0  2
!! 17
 assign (resid 17 and name C )    (resid  18 and name N )
        (resid 18 and name CA)    (resid  18 and name C )   1 -65.0   30.0  2
!! 19
 assign (resid 18 and name C )    (resid  19 and name N )
        (resid 19 and name CA)    (resid  19 and name C )   1 -65.0   30.0  2
!! 10
 assign (resid 20 and name C )    (resid  21 and name N )
        (resid 21 and name CA)    (resid  21 and name C )   1 -65.0  30.0  2


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -27.195  -7.788  -7.788
    2   2H    GLY   1          3H        GLY   1 -28.162  -7.194  -7.194
    3   3H    GLY   1          2H        GLY   1 -28.888  -7.766  -7.766
    4   1HA   GLY   1          1HA       GLY   1 -27.898  -6.025  -6.025
    5   2HA   GLY   1          2HA       GLY   1 -28.891  -5.383  -5.383
    6    H    GLU   2           H        GLU   2 -27.374  -5.639  -5.639
    7    HA   GLU   2           HA       GLU   2 -25.562  -3.465  -3.465
    8   1HB   GLU   2          2HB       GLU   2 -26.521  -4.125  -4.125
    9   2HB   GLU   2          1HB       GLU   2 -25.938  -5.765  -5.765
   10   1HG   GLU   2          2HG       GLU   2 -23.911  -3.507  -3.507
   11   2HG   GLU   2          1HG       GLU   2 -24.673  -4.010  -4.010
   12   1HN   CGU   3           HN       GLA   3 -24.980  -6.929  -6.929
   13    HA   CGU   3           HA       GLA   3 -22.134  -6.889  -6.889
   14   1HB   CGU   3          1HB       GLA   3 -22.415  -9.241  -9.241
   15   2HB   CGU   3          2HB       GLA   3 -24.123  -8.925  -8.925
   16    HG   CGU   3           HG       GLA   3 -23.918  -8.158  -8.158
   17   1HN   CGU   4           HN       GLA   4 -24.574  -6.990  -6.990
   18    HA   CGU   4           HA       GLA   4 -22.797  -7.123  -7.123
   19   1HB   CGU   4          1HB       GLA   4 -25.062  -5.887  -5.887
   20   2HB   CGU   4          2HB       GLA   4 -25.686  -6.543  -6.543
   21    HG   CGU   4           HG       GLA   4 -24.397  -8.730  -8.730
   22    H    TYR   5           H        TYR   5 -24.087  -4.494  -4.494
   23    HA   TYR   5           HA       TYR   5 -23.206  -2.381  -2.381
   24   1HB   TYR   5          2HB       TYR   5 -25.127  -2.231  -2.231
   25   2HB   TYR   5          1HB       TYR   5 -23.929  -2.170  -2.170
   26    HD1  TYR   5           HD2      TYR   5 -25.042  -0.444  -0.444
   27    HD2  TYR   5           HD1      TYR   5 -22.824  -0.103  -0.103
   28    HE1  TYR   5           HE2      TYR   5 -24.786   1.962   1.962
   29    HE2  TYR   5           HE1      TYR   5 -22.573   2.303   2.303
   30    HH   TYR   5           HH       TYR   5 -23.975   3.875   3.875
   31    H    GLN   6           H        GLN   6 -21.964  -3.872  -3.872
   32    HA   GLN   6           HA       GLN   6 -19.735  -2.102  -2.102
   33   1HB   GLN   6          2HB       GLN   6 -20.678  -4.738  -4.738
   34   2HB   GLN   6          1HB       GLN   6 -18.984  -4.370  -4.370
   35   1HG   GLN   6          2HG       GLN   6 -21.159  -2.363  -2.363
   36   2HG   GLN   6          1HG       GLN   6 -20.612  -3.592  -3.592
   37   1HE2  GLN   6          2HE2      GLN   6 -17.449  -2.090  -2.090
   38   2HE2  GLN   6          1HE2      GLN   6 -18.343  -3.529  -3.529
   39    H    LYS   7           H        LYS   7 -19.916  -5.394  -5.394
   40    HA   LYS   7           HA       LYS   7 -17.188  -5.613  -5.613
   41   1HB   LYS   7          2HB       LYS   7 -19.711  -7.009  -7.009
   42   2HB   LYS   7          1HB       LYS   7 -18.121  -7.439  -7.439
   43   1HG   LYS   7          2HG       LYS   7 -17.625  -7.494  -7.494
   44   2HG   LYS   7          1HG       LYS   7 -19.327  -7.894  -7.894
   45   1HD   LYS   7          2HD       LYS   7 -18.333 -10.013 -10.013
   46   2HD   LYS   7          1HD       LYS   7 -18.696  -9.642  -9.642
   47   1HE   LYS   7          2HE       LYS   7 -16.414  -9.073  -9.073
   48   2HE   LYS   7          1HE       LYS   7 -15.994  -8.938  -8.938
   49   1HZ   LYS   7          3HZ       LYS   7 -16.912 -11.475 -11.475
   50   2HZ   LYS   7          2HZ       LYS   7 -15.278 -11.010 -11.010
   51   3HZ   LYS   7          1HZ       LYS   7 -16.114 -11.230 -11.230
   52    H    MET   8           H        MET   8 -19.869  -4.052  -4.052
   53    HA   MET   8           HA       MET   8 -18.575  -3.816  -3.816
   54   1HB   MET   8          2HB       MET   8 -21.059  -3.971  -3.971
   55   2HB   MET   8          1HB       MET   8 -21.076  -2.470  -2.470
   56   1HG   MET   8          2HG       MET   8 -20.210  -1.267  -1.267
   57   2HG   MET   8          1HG       MET   8 -20.004  -2.757  -2.757
   58   1HE   MET   8          3HE       MET   8 -22.173  -0.492  -0.492
   59   2HE   MET   8          2HE       MET   8 -23.005   0.195   0.195
   60   3HE   MET   8          1HE       MET   8 -23.815  -0.989  -0.989
   61    H    LEU   9           H        LEU   9 -19.110  -1.952  -1.952
   62    HA   LEU   9           HA       LEU   9 -18.137   0.554   0.554
   63   1HB   LEU   9          2HB       LEU   9 -19.055  -0.551  -0.551
   64   2HB   LEU   9          1HB       LEU   9 -17.574   0.309   0.309
   65    HG   LEU   9           HG       LEU   9 -19.990   1.435   1.435
   66   1HD1  LEU   9          1HD1      LEU   9 -20.309   1.120   1.120
   67   2HD1  LEU   9          3HD1      LEU   9 -18.859   2.065   2.065
   68   3HD1  LEU   9          2HD1      LEU   9 -20.266   2.824   2.824
   69   1HD2  LEU   9          1HD2      LEU   9 -17.215   2.558   2.558
   70   2HD2  LEU   9          3HD2      LEU   9 -18.177   2.694   2.694
   71   3HD2  LEU   9          2HD2      LEU   9 -18.583   3.657   3.657
   72   1HN   CGU  10           HN       GLA  10 -16.534  -2.187  -2.187
   73    HA   CGU  10           HA       GLA  10 -13.999  -0.986  -0.986
   74   1HB   CGU  10          1HB       GLA  10 -15.017  -3.360  -3.360
   75   2HB   CGU  10          2HB       GLA  10 -13.299  -3.131  -3.131
   76    HG   CGU  10           HG       GLA  10 -14.919  -4.134  -4.134
   77    H    ASN  11           H        ASN  11 -15.575  -2.096  -2.096
   78    HA   ASN  11           HA       ASN  11 -13.152  -1.980  -1.980
   79   1HB   ASN  11          2HB       ASN  11 -15.280  -3.709  -3.709
   80   2HB   ASN  11          1HB       ASN  11 -15.835  -2.547  -2.547
   81   1HD2  ASN  11          2HD2      ASN  11 -12.889  -5.121  -5.121
   82   2HD2  ASN  11          1HD2      ASN  11 -13.708  -5.194  -5.194
   83    H    LEU  12           H        LEU  12 -16.002  -0.162  -0.162
   84    HA   LEU  12           HA       LEU  12 -15.978   1.519   1.519
   85   1HB   LEU  12          2HB       LEU  12 -17.316   1.537   1.537
   86   2HB   LEU  12          1HB       LEU  12 -17.370   3.021   3.021
   87    HG   LEU  12           HG       LEU  12 -18.187   0.395   0.395
   88   1HD1  LEU  12          3HD1      LEU  12 -19.985   2.286   2.286
   89   2HD1  LEU  12          2HD1      LEU  12 -20.542   0.944   0.944
   90   3HD1  LEU  12          1HD1      LEU  12 -19.590   0.637   0.637
   91   1HD2  LEU  12          2HD2      LEU  12 -18.961   3.310   3.310
   92   2HD2  LEU  12          1HD2      LEU  12 -17.821   2.394   2.394
   93   3HD2  LEU  12          3HD2      LEU  12 -19.514   1.939   1.939
   94    H    ARG  13           H        ARG  13 -14.997   2.099   2.099
   95    HA   ARG  13           HA       ARG  13 -13.741   4.639   4.639
   96   1HB   ARG  13          2HB       ARG  13 -14.393   3.086   3.086
   97   2HB   ARG  13          1HB       ARG  13 -12.663   3.322   3.322
   98   1HG   ARG  13          2HG       ARG  13 -13.594   5.216   5.216
   99   2HG   ARG  13          1HG       ARG  13 -13.074   5.797   5.797
  100   1HD   ARG  13          2HD       ARG  13 -15.845   4.874   4.874
  101   2HD   ARG  13          1HD       ARG  13 -15.697   5.967   5.967
  102    HE   ARG  13           HE       ARG  13 -14.923   7.704   7.704
  103   1HH1  ARG  13          1HH2      ARG  13 -15.829   4.807   4.807
  104   2HH1  ARG  13          2HH2      ARG  13 -15.963   5.632   5.632
  105   1HH2  ARG  13          2HH1      ARG  13 -15.078   8.734   8.734
  106   2HH2  ARG  13          1HH1      ARG  13 -15.531   7.908   7.908
  107   1HN   CGU  14           HN       GLA  14 -12.852   1.474   1.474
  108    HA   CGU  14           HA       GLA  14  -9.948   1.912   1.912
  109   1HB   CGU  14          1HB       GLA  14 -11.928  -0.280  -0.280
  110   2HB   CGU  14          2HB       GLA  14 -10.374  -0.249  -0.249
  111    HG   CGU  14           HG       GLA  14 -11.001  -0.717  -0.717
  112    H    ALA  15           H        ALA  15 -12.769   1.792   1.792
  113    HA   ALA  15           HA       ALA  15 -11.592   1.455   1.455
  114   1HB   ALA  15          2HB       ALA  15 -14.106   1.564   1.564
  115   2HB   ALA  15          1HB       ALA  15 -13.945   3.311   3.311
  116   3HB   ALA  15          3HB       ALA  15 -13.638   2.337   2.337
  117    H    GLU  16           H        GLU  16 -11.686   4.166   4.166
  118    HA   GLU  16           HA       GLU  16 -10.878   6.182   6.182
  119   1HB   GLU  16          2HB       GLU  16 -12.061   6.395   6.395
  120   2HB   GLU  16          1HB       GLU  16 -10.427   6.390   6.390
  121   1HG   GLU  16          2HG       GLU  16 -10.866   8.697   8.697
  122   2HG   GLU  16          1HG       GLU  16  -9.960   8.284   8.284
  123    H    VAL  17           H        VAL  17  -9.293   4.080   4.080
  124    HA   VAL  17           HA       VAL  17  -6.713   5.131   5.131
  125    HB   VAL  17           HB       VAL  17  -7.536   2.200   2.200
  126   1HG1  VAL  17          3HG1      VAL  17  -5.009   3.694   3.694
  127   2HG1  VAL  17          2HG1      VAL  17  -5.477   2.185   2.185
  128   3HG1  VAL  17          1HG1      VAL  17  -5.149   2.223   2.223
  129   1HG2  VAL  17          1HG2      VAL  17  -8.741   3.835   3.835
  130   2HG2  VAL  17          3HG2      VAL  17  -7.730   2.685   2.685
  131   3HG2  VAL  17          2HG2      VAL  17  -7.174   4.333   4.333
  132    H    LYS  18           H        LYS  18  -8.327   3.419   3.419
  133    HA   LYS  18           HA       LYS  18  -6.352   2.035   2.035
  134   1HB   LYS  18          2HB       LYS  18  -7.669   2.358   2.358
  135   2HB   LYS  18          1HB       LYS  18  -8.758   2.189   2.189
  136   1HG   LYS  18          2HG       LYS  18  -9.763   4.030   4.030
  137   2HG   LYS  18          1HG       LYS  18  -8.577   4.903   4.903
  138   1HD   LYS  18          2HD       LYS  18  -8.279   5.862   5.862
  139   2HD   LYS  18          1HD       LYS  18  -7.067   4.602   4.602
  140   1HE   LYS  18          2HE       LYS  18  -8.339   4.501   4.501
  141   2HE   LYS  18          1HE       LYS  18  -8.797   3.095   3.095
  142   1HZ   LYS  18          1HZ       LYS  18 -10.331   5.592   5.592
  143   2HZ   LYS  18          3HZ       LYS  18 -10.601   4.535   4.535
  144   3HZ   LYS  18          2HZ       LYS  18 -10.826   3.994   3.994
  145    H    LYS  19           H        LYS  19  -6.829   5.507   5.507
  146    HA   LYS  19           HA       LYS  19  -4.896   6.122   6.122
  147   1HB   LYS  19          2HB       LYS  19  -6.799   7.628   7.628
  148   2HB   LYS  19          1HB       LYS  19  -5.781   7.950   7.950
  149   1HG   LYS  19          2HG       LYS  19  -3.952   8.640   8.640
  150   2HG   LYS  19          1HG       LYS  19  -5.243   8.617   8.617
  151   1HD   LYS  19          2HD       LYS  19  -6.530  10.231  10.231
  152   2HD   LYS  19          1HD       LYS  19  -5.100  10.335  10.335
  153   1HE   LYS  19          2HE       LYS  19  -3.797  11.034  11.034
  154   2HE   LYS  19          1HE       LYS  19  -5.346  11.155  11.155
  155   1HZ   LYS  19          3HZ       LYS  19  -4.665  12.601  12.601
  156   2HZ   LYS  19          2HZ       LYS  19  -4.550  13.260  13.260
  157   3HZ   LYS  19          1HZ       LYS  19  -6.063  12.794  12.794
  158    H    ASN  20           H        ASN  20  -4.851   6.206   6.206
  159    HA   ASN  20           HA       ASN  20  -2.038   6.843   6.843
  160   1HB   ASN  20          2HB       ASN  20  -3.930   7.302   7.302
  161   2HB   ASN  20          1HB       ASN  20  -3.789   5.612   5.612
  162   1HD2  ASN  20          2HD2      ASN  20  -0.841   6.110   6.110
  163   2HD2  ASN  20          1HD2      ASN  20  -2.021   5.016   5.016
  164    H    ALA  21           H        ALA  21  -3.592   4.031   4.031
  165    HA   ALA  21           HA       ALA  21  -1.832   2.102   2.102
  166   1HB   ALA  21          3HB       ALA  21  -4.282   1.736   1.736
  167   2HB   ALA  21          2HB       ALA  21  -3.559   1.521   1.521
  168   3HB   ALA  21          1HB       ALA  21  -3.125   0.447   0.447
  169   1HN   NH2  22          1HT       ALA  21  -2.019   3.624   3.624
  170   2HN   NH2  22          2HT       ALA  21  -0.525   3.036   3.036

  Start of MODEL    2
    1   1H    GLY   1          2H        GLY   1 -28.117  -4.509  -4.509
    2   2H    GLY   1          1H        GLY   1 -29.790  -4.308  -4.308
    3   3H    GLY   1          3H        GLY   1 -28.925  -3.219  -3.219
    4   1HA   GLY   1          1HA       GLY   1 -29.253  -2.096  -2.096
    5   2HA   GLY   1          2HA       GLY   1 -28.807  -3.573  -3.573
    6    H    GLU   2           H        GLU   2 -27.518  -1.566  -1.566
    7    HA   GLU   2           HA       GLU   2 -25.148  -0.765  -0.765
    8   1HB   GLU   2          2HB       GLU   2 -25.800  -0.761  -0.761
    9   2HB   GLU   2          1HB       GLU   2 -24.389   0.011   0.011
   10   1HG   GLU   2          2HG       GLU   2 -27.228   0.671   0.671
   11   2HG   GLU   2          1HG       GLU   2 -26.411   1.547   1.547
   12   1HN   CGU   3           HN       GLA   3 -25.959  -3.471  -3.471
   13    HA   CGU   3           HA       GLA   3 -23.319  -4.412  -4.412
   14   1HB   CGU   3          1HB       GLA   3 -24.402  -6.318  -6.318
   15   2HB   CGU   3          2HB       GLA   3 -25.692  -6.289  -6.289
   16    HG   CGU   3           HG       GLA   3 -26.376  -5.686  -5.686
   17   1HN   CGU   4           HN       GLA   4 -25.483  -4.748  -4.748
   18    HA   CGU   4           HA       GLA   4 -23.943  -6.826  -6.826
   19   1HB   CGU   4          1HB       GLA   4 -25.668  -5.933  -5.933
   20   2HB   CGU   4          2HB       GLA   4 -26.452  -5.235  -5.235
   21    HG   CGU   4           HG       GLA   4 -26.285  -7.593  -7.593
   22    H    TYR   5           H        TYR   5 -24.388  -3.406  -3.406
   23    HA   TYR   5           HA       TYR   5 -23.032  -2.758  -2.758
   24   1HB   TYR   5          2HB       TYR   5 -24.623  -1.308  -1.308
   25   2HB   TYR   5          1HB       TYR   5 -23.167  -0.908  -0.908
   26    HD1  TYR   5           HD1      TYR   5 -24.898  -0.577  -0.577
   27    HD2  TYR   5           HD2      TYR   5 -21.420   0.487   0.487
   28    HE1  TYR   5           HE1      TYR   5 -24.344   1.119   1.119
   29    HE2  TYR   5           HE2      TYR   5 -20.867   2.176   2.176
   30    HH   TYR   5           HH       TYR   5 -22.789   2.564   2.564
   31    H    GLN   6           H        GLN   6 -21.781  -3.649  -3.649
   32    HA   GLN   6           HA       GLN   6 -19.317  -2.278  -2.278
   33   1HB   GLN   6          2HB       GLN   6 -18.658  -3.836  -3.836
   34   2HB   GLN   6          1HB       GLN   6 -20.391  -3.675  -3.675
   35   1HG   GLN   6          2HG       GLN   6 -20.149  -6.011  -6.011
   36   2HG   GLN   6          1HG       GLN   6 -20.528  -5.780  -5.780
   37   1HE2  GLN   6          2HE2      GLN   6 -16.527  -6.404  -6.404
   38   2HE2  GLN   6          1HE2      GLN   6 -17.356  -5.263  -5.263
   39    H    LYS   7           H        LYS   7 -20.246  -5.105  -5.105
   40    HA   LYS   7           HA       LYS   7 -17.606  -5.960  -5.960
   41   1HB   LYS   7          2HB       LYS   7 -19.694  -7.385  -7.385
   42   2HB   LYS   7          1HB       LYS   7 -20.275  -6.429  -6.429
   43   1HG   LYS   7          2HG       LYS   7 -18.194  -7.094  -7.094
   44   2HG   LYS   7          1HG       LYS   7 -17.730  -8.115  -8.115
   45   1HD   LYS   7          2HD       LYS   7 -19.598  -9.575  -9.575
   46   2HD   LYS   7          1HD       LYS   7 -20.451  -8.433  -8.433
   47   1HE   LYS   7          2HE       LYS   7 -17.794  -9.693  -9.693
   48   2HE   LYS   7          1HE       LYS   7 -19.354 -10.374 -10.374
   49   1HZ   LYS   7          3HZ       LYS   7 -19.710  -7.875  -7.875
   50   2HZ   LYS   7          2HZ       LYS   7 -18.030  -7.995  -7.995
   51   3HZ   LYS   7          1HZ       LYS   7 -19.062  -9.080  -9.080
   52    H    MET   8           H        MET   8 -20.161  -4.317  -4.317
   53    HA   MET   8           HA       MET   8 -18.443  -3.558  -3.558
   54   1HB   MET   8          2HB       MET   8 -20.417  -2.280  -2.280
   55   2HB   MET   8          1HB       MET   8 -20.861  -3.905  -3.905
   56   1HG   MET   8          2HG       MET   8 -21.467  -2.919  -2.919
   57   2HG   MET   8          1HG       MET   8 -21.317  -1.342  -1.342
   58   1HE   MET   8          2HE       MET   8 -22.608  -0.402  -0.402
   59   2HE   MET   8          1HE       MET   8 -22.914  -1.643  -1.643
   60   3HE   MET   8          3HE       MET   8 -24.250  -0.813  -0.813
   61    H    LEU   9           H        LEU   9 -18.637  -2.283  -2.283
   62    HA   LEU   9           HA       LEU   9 -18.254   0.525   0.525
   63   1HB   LEU   9          2HB       LEU   9 -19.232   0.473   0.473
   64   2HB   LEU   9          1HB       LEU   9 -18.718  -1.154  -1.154
   65    HG   LEU   9           HG       LEU   9 -16.641  -0.533  -0.533
   66   1HD1  LEU   9          3HD1      LEU   9 -17.147   2.033   2.033
   67   2HD1  LEU   9          2HD1      LEU   9 -16.562   2.322   2.322
   68   3HD1  LEU   9          1HD1      LEU   9 -15.615   1.358   1.358
   69   1HD2  LEU   9          2HD2      LEU   9 -18.774   1.301   1.301
   70   2HD2  LEU   9          1HD2      LEU   9 -18.472  -0.367  -0.367
   71   3HD2  LEU   9          3HD2      LEU   9 -17.281   0.870   0.870
   72   1HN   CGU  10           HN       GLA  10 -16.563  -1.953  -1.953
   73    HA   CGU  10           HA       GLA  10 -13.984  -0.968  -0.968
   74   1HB   CGU  10          1HB       GLA  10 -13.865  -3.807  -3.807
   75   2HB   CGU  10          2HB       GLA  10 -15.242  -3.513  -3.513
   76    HG   CGU  10           HG       GLA  10 -13.657  -2.188  -2.188
   77    H    ASN  11           H        ASN  11 -15.510  -2.193  -2.193
   78    HA   ASN  11           HA       ASN  11 -13.025  -2.015  -2.015
   79   1HB   ASN  11          2HB       ASN  11 -15.146  -3.774  -3.774
   80   2HB   ASN  11          1HB       ASN  11 -15.626  -2.607  -2.607
   81   1HD2  ASN  11          2HD2      ASN  11 -12.857  -3.337  -3.337
   82   2HD2  ASN  11          1HD2      ASN  11 -13.955  -2.115  -2.115
   83    H    LEU  12           H        LEU  12 -16.105  -0.384  -0.384
   84    HA   LEU  12           HA       LEU  12 -16.005   1.313   1.313
   85   1HB   LEU  12          2HB       LEU  12 -17.515   1.239   1.239
   86   2HB   LEU  12          1HB       LEU  12 -17.327   2.851   2.851
   87    HG   LEU  12           HG       LEU  12 -18.327   0.572   0.572
   88   1HD1  LEU  12          1HD1      LEU  12 -19.930   0.946   0.946
   89   2HD1  LEU  12          3HD1      LEU  12 -19.980   2.657   2.657
   90   3HD1  LEU  12          2HD1      LEU  12 -20.601   1.468   1.468
   91   1HD2  LEU  12          2HD2      LEU  12 -18.268   3.613   3.613
   92   2HD2  LEU  12          1HD2      LEU  12 -17.485   2.436   2.436
   93   3HD2  LEU  12          3HD2      LEU  12 -19.228   2.580   2.580
   94    H    ARG  13           H        ARG  13 -14.911   1.979   1.979
   95    HA   ARG  13           HA       ARG  13 -13.849   4.597   4.597
   96   1HB   ARG  13          2HB       ARG  13 -12.912   2.882   2.882
   97   2HB   ARG  13          1HB       ARG  13 -12.963   4.625   4.625
   98   1HG   ARG  13          2HG       ARG  13 -15.499   2.932   2.932
   99   2HG   ARG  13          1HG       ARG  13 -14.797   3.517   3.517
  100   1HD   ARG  13          2HD       ARG  13 -15.178   5.806   5.806
  101   2HD   ARG  13          1HD       ARG  13 -15.419   5.416   5.416
  102    HE   ARG  13           HE       ARG  13 -17.294   4.669   4.669
  103   1HH1  ARG  13          1HH2      ARG  13 -16.690   5.367   5.367
  104   2HH1  ARG  13          2HH2      ARG  13 -18.366   5.286   5.286
  105   1HH2  ARG  13          2HH1      ARG  13 -19.427   4.561   4.561
  106   2HH2  ARG  13          1HH1      ARG  13 -19.917   4.828   4.828
  107   1HN   CGU  14           HN       GLA  14 -12.597   1.358   1.358
  108    HA   CGU  14           HA       GLA  14  -9.806   2.101   2.101
  109   1HB   CGU  14          1HB       GLA  14 -10.218  -0.472  -0.472
  110   2HB   CGU  14          2HB       GLA  14 -11.389  -0.374  -0.374
  111    HG   CGU  14           HG       GLA  14  -9.503   0.387   0.387
  112    H    ALA  15           H        ALA  15 -12.530   1.920   1.920
  113    HA   ALA  15           HA       ALA  15 -10.975   1.961   1.961
  114   1HB   ALA  15          2HB       ALA  15 -13.985   2.116   2.116
  115   2HB   ALA  15          1HB       ALA  15 -13.228   1.979   1.979
  116   3HB   ALA  15          3HB       ALA  15 -13.097   0.665   0.665
  117    H    GLU  16           H        GLU  16 -12.823   4.035   4.035
  118    HA   GLU  16           HA       GLU  16 -12.487   6.377   6.377
  119   1HB   GLU  16          2HB       GLU  16 -14.225   5.673   5.673
  120   2HB   GLU  16          1HB       GLU  16 -13.880   7.365   7.365
  121   1HG   GLU  16          2HG       GLU  16 -16.005   6.478   6.478
  122   2HG   GLU  16          1HG       GLU  16 -14.903   7.373   7.373
  123    H    VAL  17           H        VAL  17 -10.589   4.883   4.883
  124    HA   VAL  17           HA       VAL  17  -9.734   6.698   6.698
  125    HB   VAL  17           HB       VAL  17  -9.040   4.250   4.250
  126   1HG1  VAL  17          1HG1      VAL  17  -8.150   4.589   4.589
  127   2HG1  VAL  17          3HG1      VAL  17  -6.790   5.467   5.467
  128   3HG1  VAL  17          2HG1      VAL  17  -7.034   3.780   3.780
  129   1HG2  VAL  17          3HG2      VAL  17  -6.913   6.264   6.264
  130   2HG2  VAL  17          2HG2      VAL  17  -8.128   5.559   5.559
  131   3HG2  VAL  17          1HG2      VAL  17  -6.866   4.548   4.548
  132    H    LYS  18           H        LYS  18  -8.829   6.391   6.391
  133    HA   LYS  18           HA       LYS  18  -6.748   8.333   8.333
  134   1HB   LYS  18          2HB       LYS  18  -7.371   6.633   6.633
  135   2HB   LYS  18          1HB       LYS  18  -8.759   7.622   7.622
  136   1HG   LYS  18          2HG       LYS  18  -7.451   9.345   9.345
  137   2HG   LYS  18          1HG       LYS  18  -6.045   8.946   8.946
  138   1HD   LYS  18          2HD       LYS  18  -5.610   8.300   8.300
  139   2HD   LYS  18          1HD       LYS  18  -5.721   6.852   6.852
  140   1HE   LYS  18          2HE       LYS  18  -6.993   6.528   6.528
  141   2HE   LYS  18          1HE       LYS  18  -8.132   6.592   6.592
  142   1HZ   LYS  18          1HZ       LYS  18  -7.429   9.077   9.077
  143   2HZ   LYS  18          3HZ       LYS  18  -8.500   7.991   7.991
  144   3HZ   LYS  18          2HZ       LYS  18  -8.875   8.641   8.641
  145    H    LYS  19           H        LYS  19 -10.192   8.629   8.629
  146    HA   LYS  19           HA       LYS  19 -10.158  11.479  11.479
  147   1HB   LYS  19          2HB       LYS  19 -11.886  10.139  10.139
  148   2HB   LYS  19          1HB       LYS  19 -12.360   9.439   9.439
  149   1HG   LYS  19          2HG       LYS  19 -12.535  12.442  12.442
  150   2HG   LYS  19          1HG       LYS  19 -13.723  11.474  11.474
  151   1HD   LYS  19          2HD       LYS  19 -14.760  10.740  10.740
  152   2HD   LYS  19          1HD       LYS  19 -13.280  10.681  10.681
  153   1HE   LYS  19          2HE       LYS  19 -13.428  13.372  13.372
  154   2HE   LYS  19          1HE       LYS  19 -15.134  12.998  12.998
  155   1HZ   LYS  19          2HZ       LYS  19 -13.501  11.922  11.922
  156   2HZ   LYS  19          1HZ       LYS  19 -14.332  13.400  13.400
  157   3HZ   LYS  19          3HZ       LYS  19 -15.193  11.956  11.956
  158    H    ASN  20           H        ASN  20 -10.396   9.489   9.489
  159    HA   ASN  20           HA       ASN  20 -11.552  11.460  11.460
  160   1HB   ASN  20          2HB       ASN  20 -11.385   8.797   8.797
  161   2HB   ASN  20          1HB       ASN  20  -9.850   9.150   9.150
  162   1HD2  ASN  20          2HD2      ASN  20 -13.296   9.737   9.737
  163   2HD2  ASN  20          1HD2      ASN  20 -13.256   9.043   9.043
  164    H    ALA  21           H        ALA  21  -8.409  10.637  10.637
  165    HA   ALA  21           HA       ALA  21  -6.910  12.084  12.084
  166   1HB   ALA  21          2HB       ALA  21  -5.973  10.142  10.142
  167   2HB   ALA  21          1HB       ALA  21  -6.045  11.075  11.075
  168   3HB   ALA  21          3HB       ALA  21  -4.971  11.570  11.570
  169   1HN   NH2  22          1HT       ALA  21  -8.869  13.242  13.242
  170   2HN   NH2  22          2HT       ALA  21  -8.088  14.719  14.719

  Start of MODEL    3
    1   1H    GLY   1          2H        GLY   1 -27.092  -5.543  -5.543
    2   2H    GLY   1          1H        GLY   1 -28.665  -6.015  -6.015
    3   3H    GLY   1          3H        GLY   1 -28.202  -4.385  -4.385
    4   1HA   GLY   1          1HA       GLY   1 -28.269  -5.374  -5.374
    5   2HA   GLY   1          2HA       GLY   1 -27.108  -6.635  -6.635
    6    H    GLU   2           H        GLU   2 -26.763  -4.791  -4.791
    7    HA   GLU   2           HA       GLU   2 -25.087  -2.592  -2.592
    8   1HB   GLU   2          2HB       GLU   2 -26.138  -3.274  -3.274
    9   2HB   GLU   2          1HB       GLU   2 -24.704  -4.247  -4.247
   10   1HG   GLU   2          2HG       GLU   2 -24.845  -1.221  -1.221
   11   2HG   GLU   2          1HG       GLU   2 -24.313  -2.112  -2.112
   12   1HN   CGU   3           HN       GLA   3 -24.226  -5.861  -5.861
   13    HA   CGU   3           HA       GLA   3 -21.445  -5.706  -5.706
   14   1HB   CGU   3          1HB       GLA   3 -21.821  -8.331  -8.331
   15   2HB   CGU   3          2HB       GLA   3 -23.470  -7.945  -7.945
   16    HG   CGU   3           HG       GLA   3 -22.579  -8.532  -8.532
   17   1HN   CGU   4           HN       GLA   4 -24.080  -6.440  -6.440
   18    HA   CGU   4           HA       GLA   4 -22.556  -7.352  -7.352
   19   1HB   CGU   4          1HB       GLA   4 -24.879  -6.192  -6.192
   20   2HB   CGU   4          2HB       GLA   4 -25.356  -6.531  -6.531
   21    HG   CGU   4           HG       GLA   4 -24.484  -8.880  -8.880
   22    H    TYR   5           H        TYR   5 -23.586  -4.242  -4.242
   23    HA   TYR   5           HA       TYR   5 -22.771  -2.731  -2.731
   24   1HB   TYR   5          2HB       TYR   5 -24.448  -1.980  -1.980
   25   2HB   TYR   5          1HB       TYR   5 -23.046  -1.626  -1.626
   26    HD1  TYR   5           HD2      TYR   5 -21.463   0.167   0.167
   27    HD2  TYR   5           HD1      TYR   5 -24.922  -0.641  -0.641
   28    HE1  TYR   5           HE2      TYR   5 -21.172   2.299   2.299
   29    HE2  TYR   5           HE1      TYR   5 -24.624   1.492   1.492
   30    HH   TYR   5           HH       TYR   5 -21.958   3.687   3.687
   31    H    GLN   6           H        GLN   6 -21.324  -3.705  -3.705
   32    HA   GLN   6           HA       GLN   6 -18.990  -2.109  -2.109
   33   1HB   GLN   6          2HB       GLN   6 -20.061  -4.376  -4.376
   34   2HB   GLN   6          1HB       GLN   6 -18.410  -4.781  -4.781
   35   1HG   GLN   6          2HG       GLN   6 -17.613  -2.701  -2.701
   36   2HG   GLN   6          1HG       GLN   6 -19.272  -2.218  -2.218
   37   1HE2  GLN   6          2HE2      GLN   6 -19.735  -4.689  -4.689
   38   2HE2  GLN   6          1HE2      GLN   6 -20.554  -3.892  -3.892
   39    H    LYS   7           H        LYS   7 -19.699  -5.160  -5.160
   40    HA   LYS   7           HA       LYS   7 -17.076  -5.691  -5.691
   41   1HB   LYS   7          2HB       LYS   7 -19.881  -6.673  -6.673
   42   2HB   LYS   7          1HB       LYS   7 -18.669  -7.045  -7.045
   43   1HG   LYS   7          2HG       LYS   7 -17.398  -8.384  -8.384
   44   2HG   LYS   7          1HG       LYS   7 -18.049  -7.624  -7.624
   45   1HD   LYS   7          2HD       LYS   7 -19.032  -9.836  -9.836
   46   2HD   LYS   7          1HD       LYS   7 -20.296  -8.669  -8.669
   47   1HE   LYS   7          2HE       LYS   7 -20.099  -9.062  -9.062
   48   2HE   LYS   7          1HE       LYS   7 -18.688 -10.083 -10.083
   49   1HZ   LYS   7          1HZ       LYS   7 -20.649 -11.134 -11.134
   50   2HZ   LYS   7          3HZ       LYS   7 -21.426 -10.753 -10.753
   51   3HZ   LYS   7          2HZ       LYS   7 -20.065 -11.768 -11.768
   52    H    MET   8           H        MET   8 -19.977  -4.262  -4.262
   53    HA   MET   8           HA       MET   8 -18.818  -3.551  -3.551
   54   1HB   MET   8          2HB       MET   8 -21.352  -3.888  -3.888
   55   2HB   MET   8          1HB       MET   8 -21.266  -2.166  -2.166
   56   1HG   MET   8          2HG       MET   8 -20.316  -3.220  -3.220
   57   2HG   MET   8          1HG       MET   8 -22.024  -3.177  -3.177
   58   1HE   MET   8          2HE       MET   8 -23.502  -1.344  -1.344
   59   2HE   MET   8          1HE       MET   8 -23.076  -0.752  -0.752
   60   3HE   MET   8          3HE       MET   8 -23.107   0.345   0.345
   61    H    LEU   9           H        LEU   9 -18.534  -2.134  -2.134
   62    HA   LEU   9           HA       LEU   9 -18.221   0.641   0.641
   63   1HB   LEU   9          2HB       LEU   9 -18.798   0.748   0.748
   64   2HB   LEU   9          1HB       LEU   9 -18.424  -0.911  -0.911
   65    HG   LEU   9           HG       LEU   9 -16.152  -0.477  -0.477
   66   1HD1  LEU   9          1HD1      LEU   9 -16.564   2.080   2.080
   67   2HD1  LEU   9          3HD1      LEU   9 -15.917   2.406   2.406
   68   3HD1  LEU   9          2HD1      LEU   9 -15.053   1.350   1.350
   69   1HD2  LEU   9          1HD2      LEU   9 -17.783  -0.184  -0.184
   70   2HD2  LEU   9          3HD2      LEU   9 -16.380   0.846   0.846
   71   3HD2  LEU   9          2HD2      LEU   9 -17.888   1.535   1.535
   72   1HN   CGU  10           HN       GLA  10 -16.319  -1.807  -1.807
   73    HA   CGU  10           HA       GLA  10 -13.728  -0.813  -0.813
   74   1HB   CGU  10          1HB       GLA  10 -13.359  -3.552  -3.552
   75   2HB   CGU  10          2HB       GLA  10 -14.961  -3.505  -3.505
   76    HG   CGU  10           HG       GLA  10 -13.765  -1.789  -1.789
   77    H    ASN  11           H        ASN  11 -15.688  -2.019  -2.019
   78    HA   ASN  11           HA       ASN  11 -13.424  -2.039  -2.039
   79   1HB   ASN  11          2HB       ASN  11 -15.464  -3.786  -3.786
   80   2HB   ASN  11          1HB       ASN  11 -16.286  -2.565  -2.565
   81   1HD2  ASN  11          2HD2      ASN  11 -13.642  -4.983  -4.983
   82   2HD2  ASN  11          1HD2      ASN  11 -14.281  -5.260  -5.260
   83    H    LEU  12           H        LEU  12 -16.339  -0.300  -0.300
   84    HA   LEU  12           HA       LEU  12 -16.416   1.418   1.418
   85   1HB   LEU  12          2HB       LEU  12 -17.718   1.277   1.277
   86   2HB   LEU  12          1HB       LEU  12 -17.481   2.923   2.923
   87    HG   LEU  12           HG       LEU  12 -18.835   0.832   0.832
   88   1HD1  LEU  12          2HD1      LEU  12 -20.052   2.988   2.988
   89   2HD1  LEU  12          1HD1      LEU  12 -20.949   2.013   2.013
   90   3HD1  LEU  12          3HD1      LEU  12 -20.194   1.256   1.256
   91   1HD2  LEU  12          3HD2      LEU  12 -18.450   3.851   3.851
   92   2HD2  LEU  12          2HD2      LEU  12 -17.976   2.625   2.625
   93   3HD2  LEU  12          1HD2      LEU  12 -19.672   2.996   2.996
   94    H    ARG  13           H        ARG  13 -15.448   2.179   2.179
   95    HA   ARG  13           HA       ARG  13 -13.771   4.418   4.418
   96   1HB   ARG  13          2HB       ARG  13 -14.829   3.341   3.341
   97   2HB   ARG  13          1HB       ARG  13 -13.407   4.362   4.362
   98   1HG   ARG  13          2HG       ARG  13 -14.668   6.037   6.037
   99   2HG   ARG  13          1HG       ARG  13 -16.105   5.077   5.077
  100   1HD   ARG  13          2HD       ARG  13 -15.106   5.428   5.428
  101   2HD   ARG  13          1HD       ARG  13 -14.683   6.939   6.939
  102    HE   ARG  13           HE       ARG  13 -16.970   7.453   7.453
  103   1HH1  ARG  13          2HH1      ARG  13 -16.488   4.171   4.171
  104   2HH1  ARG  13          1HH1      ARG  13 -18.148   3.880   3.880
  105   1HH2  ARG  13          1HH2      ARG  13 -19.112   7.135   7.135
  106   2HH2  ARG  13          2HH2      ARG  13 -19.667   5.600   5.600
  107   1HN   CGU  14           HN       GLA  14 -13.029   1.455   1.455
  108    HA   CGU  14           HA       GLA  14 -10.769   0.753   0.753
  109   1HB   CGU  14          1HB       GLA  14 -12.061  -0.516  -0.516
  110   2HB   CGU  14          2HB       GLA  14 -10.368  -0.863  -0.863
  111    HG   CGU  14           HG       GLA  14 -11.411   1.204   1.204
  112    H    ALA  15           H        ALA  15 -11.172   3.281   3.281
  113    HA   ALA  15           HA       ALA  15  -8.322   3.674   3.674
  114   1HB   ALA  15          3HB       ALA  15 -10.849   5.230   5.230
  115   2HB   ALA  15          2HB       ALA  15  -9.251   5.713   5.713
  116   3HB   ALA  15          1HB       ALA  15  -9.942   4.183   4.183
  117    H    GLU  16           H        GLU  16 -10.814   5.165   5.165
  118    HA   GLU  16           HA       GLU  16  -9.244   7.385   7.385
  119   1HB   GLU  16          2HB       GLU  16 -11.828   6.041   6.041
  120   2HB   GLU  16          1HB       GLU  16 -11.101   7.207   7.207
  121   1HG   GLU  16          2HG       GLU  16 -12.490   8.587   8.587
  122   2HG   GLU  16          1HG       GLU  16 -10.968   8.786   8.786
  123    H    VAL  17           H        VAL  17  -9.725   4.120   4.120
  124    HA   VAL  17           HA       VAL  17  -8.601   4.245   4.245
  125    HB   VAL  17           HB       VAL  17  -8.700   1.991   1.991
  126   1HG1  VAL  17          3HG1      VAL  17  -7.879   1.888   1.888
  127   2HG1  VAL  17          2HG1      VAL  17  -8.377   0.469   0.469
  128   3HG1  VAL  17          1HG1      VAL  17  -6.939   1.348   1.348
  129   1HG2  VAL  17          2HG2      VAL  17 -10.861   3.040   3.040
  130   2HG2  VAL  17          1HG2      VAL  17 -10.689   1.298   1.298
  131   3HG2  VAL  17          3HG2      VAL  17 -10.348   2.296   2.296
  132    H    LYS  18           H        LYS  18  -7.101   4.239   4.239
  133    HA   LYS  18           HA       LYS  18  -4.487   3.359   3.359
  134   1HB   LYS  18          2HB       LYS  18  -5.618   4.082   4.082
  135   2HB   LYS  18          1HB       LYS  18  -5.111   5.710   5.710
  136   1HG   LYS  18          2HG       LYS  18  -3.136   3.382   3.382
  137   2HG   LYS  18          1HG       LYS  18  -3.563   4.247   4.247
  138   1HD   LYS  18          2HD       LYS  18  -2.956   6.392   6.392
  139   2HD   LYS  18          1HD       LYS  18  -1.966   5.185   5.185
  140   1HE   LYS  18          2HE       LYS  18  -1.002   4.598   4.598
  141   2HE   LYS  18          1HE       LYS  18  -1.844   6.011   6.011
  142   1HZ   LYS  18          1HZ       LYS  18  -0.672   7.327   7.327
  143   2HZ   LYS  18          3HZ       LYS  18   0.244   5.946   5.946
  144   3HZ   LYS  18          2HZ       LYS  18   0.345   6.637   6.637
  145    H    LYS  19           H        LYS  19  -5.690   6.698   6.698
  146    HA   LYS  19           HA       LYS  19  -3.284   7.832   7.832
  147   1HB   LYS  19          2HB       LYS  19  -5.027   9.202   9.202
  148   2HB   LYS  19          1HB       LYS  19  -6.184   8.797   8.797
  149   1HG   LYS  19          2HG       LYS  19  -5.358  11.017  11.017
  150   2HG   LYS  19          1HG       LYS  19  -4.694   9.963   9.963
  151   1HD   LYS  19          2HD       LYS  19  -2.790   9.956   9.956
  152   2HD   LYS  19          1HD       LYS  19  -3.320  11.614  11.614
  153   1HE   LYS  19          2HE       LYS  19  -2.810  11.489  11.489
  154   2HE   LYS  19          1HE       LYS  19  -2.170   9.870   9.870
  155   1HZ   LYS  19          1HZ       LYS  19  -0.770  11.064  11.064
  156   2HZ   LYS  19          3HZ       LYS  19  -1.109  12.447  12.447
  157   3HZ   LYS  19          2HZ       LYS  19  -0.308  11.126  11.126
  158    H    ASN  20           H        ASN  20  -6.143   6.430   6.430
  159    HA   ASN  20           HA       ASN  20  -5.769   7.180   7.180
  160   1HB   ASN  20          2HB       ASN  20  -7.682   5.760   5.760
  161   2HB   ASN  20          1HB       ASN  20  -6.950   4.469   4.469
  162   1HD2  ASN  20          2HD2      ASN  20  -8.499   5.482   5.482
  163   2HD2  ASN  20          1HD2      ASN  20  -7.586   4.309   4.309
  164    H    ALA  21           H        ALA  21  -4.204   4.819   4.819
  165    HA   ALA  21           HA       ALA  21  -3.109   3.205   3.205
  166   1HB   ALA  21          2HB       ALA  21  -3.419   2.512   2.512
  167   2HB   ALA  21          1HB       ALA  21  -1.978   3.460   3.460
  168   3HB   ALA  21          3HB       ALA  21  -1.884   2.079   2.079
  169   1HN   NH2  22          1HT       ALA  21  -1.985   6.058   6.058
  170   2HN   NH2  22          2HT       ALA  21  -0.577   6.299   6.299

  Start of MODEL    4
    1   1H    GLY   1          2H        GLY   1 -25.524  -8.913  -8.913
    2   2H    GLY   1          1H        GLY   1 -26.349  -8.872  -8.872
    3   3H    GLY   1          3H        GLY   1 -27.007  -9.725  -9.725
    4   1HA   GLY   1          1HA       GLY   1 -27.262  -7.702  -7.702
    5   2HA   GLY   1          2HA       GLY   1 -28.120  -7.639  -7.639
    6    H    GLU   2           H        GLU   2 -27.174  -6.515  -6.515
    7    HA   GLU   2           HA       GLU   2 -25.968  -4.020  -4.020
    8   1HB   GLU   2          2HB       GLU   2 -27.208  -4.062  -4.062
    9   2HB   GLU   2          1HB       GLU   2 -26.495  -5.554  -5.554
   10   1HG   GLU   2          2HG       GLU   2 -24.611  -3.204  -3.204
   11   2HG   GLU   2          1HG       GLU   2 -25.816  -3.110  -3.110
   12   1HN   CGU   3           HN       GLA   3 -24.713  -7.107  -7.107
   13    HA   CGU   3           HA       GLA   3 -21.959  -6.311  -6.311
   14   1HB   CGU   3          1HB       GLA   3 -21.479  -8.721  -8.721
   15   2HB   CGU   3          2HB       GLA   3 -23.039  -9.059  -9.059
   16    HG   CGU   3           HG       GLA   3 -22.763  -7.697  -7.697
   17   1HN   CGU   4           HN       GLA   4 -23.840  -7.618  -7.618
   18    HA   CGU   4           HA       GLA   4 -21.731  -7.854  -7.854
   19   1HB   CGU   4          1HB       GLA   4 -24.275  -7.293  -7.293
   20   2HB   CGU   4          2HB       GLA   4 -24.579  -8.283  -8.283
   21    HG   CGU   4           HG       GLA   4 -22.842  -9.857  -9.857
   22    H    TYR   5           H        TYR   5 -23.642  -5.160  -5.160
   23    HA   TYR   5           HA       TYR   5 -23.192  -3.432  -3.432
   24   1HB   TYR   5          2HB       TYR   5 -24.895  -2.829  -2.829
   25   2HB   TYR   5          1HB       TYR   5 -23.679  -2.790  -2.790
   26    HD1  TYR   5           HD1      TYR   5 -24.892  -1.060  -1.060
   27    HD2  TYR   5           HD2      TYR   5 -22.167  -0.897  -0.897
   28    HE1  TYR   5           HE1      TYR   5 -24.408   1.284   1.284
   29    HE2  TYR   5           HE2      TYR   5 -21.685   1.444   1.444
   30    HH   TYR   5           HH       TYR   5 -22.097   3.161   3.161
   31    H    GLN   6           H        GLN   6 -21.433  -4.168  -4.168
   32    HA   GLN   6           HA       GLN   6 -19.374  -2.216  -2.216
   33   1HB   GLN   6          2HB       GLN   6 -19.918  -3.806  -3.806
   34   2HB   GLN   6          1HB       GLN   6 -18.969  -5.008  -5.008
   35   1HG   GLN   6          2HG       GLN   6 -17.140  -3.049  -3.049
   36   2HG   GLN   6          1HG       GLN   6 -18.066  -2.395  -2.395
   37   1HE2  GLN   6          2HE2      GLN   6 -16.185  -6.020  -6.020
   38   2HE2  GLN   6          1HE2      GLN   6 -16.726  -5.592  -5.592
   39    H    LYS   7           H        LYS   7 -19.672  -5.494  -5.494
   40    HA   LYS   7           HA       LYS   7 -17.071  -5.755  -5.755
   41   1HB   LYS   7          2HB       LYS   7 -18.589  -7.676  -7.676
   42   2HB   LYS   7          1HB       LYS   7 -19.747  -6.897  -6.897
   43   1HG   LYS   7          2HG       LYS   7 -18.537  -8.586  -8.586
   44   2HG   LYS   7          1HG       LYS   7 -18.135  -7.010  -7.010
   45   1HD   LYS   7          2HD       LYS   7 -16.050  -7.170  -7.170
   46   2HD   LYS   7          1HD       LYS   7 -16.443  -8.877  -8.877
   47   1HE   LYS   7          2HE       LYS   7 -14.791  -8.506  -8.506
   48   2HE   LYS   7          1HE       LYS   7 -16.314  -8.873  -8.873
   49   1HZ   LYS   7          1HZ       LYS   7 -15.624  -6.082  -6.082
   50   2HZ   LYS   7          3HZ       LYS   7 -14.912  -6.863  -6.863
   51   3HZ   LYS   7          2HZ       LYS   7 -16.602  -6.718  -6.718
   52    H    MET   8           H        MET   8 -19.890  -4.099  -4.099
   53    HA   MET   8           HA       MET   8 -18.721  -3.505  -3.505
   54   1HB   MET   8          2HB       MET   8 -21.213  -3.878  -3.878
   55   2HB   MET   8          1HB       MET   8 -21.230  -2.325  -2.325
   56   1HG   MET   8          2HG       MET   8 -20.543  -1.188  -1.188
   57   2HG   MET   8          1HG       MET   8 -20.277  -2.704  -2.704
   58   1HE   MET   8          1HE       MET   8 -23.060  -0.770  -0.770
   59   2HE   MET   8          3HE       MET   8 -22.570   0.216   0.216
   60   3HE   MET   8          2HE       MET   8 -24.181  -0.478  -0.478
   61    H    LEU   9           H        LEU   9 -18.965  -2.027  -2.027
   62    HA   LEU   9           HA       LEU   9 -18.382   0.686   0.686
   63   1HB   LEU   9          2HB       LEU   9 -19.234   0.840   0.840
   64   2HB   LEU   9          1HB       LEU   9 -19.064  -0.846  -0.846
   65    HG   LEU   9           HG       LEU   9 -16.837  -0.539  -0.539
   66   1HD1  LEU   9          2HD1      LEU   9 -17.120   2.195   2.195
   67   2HD1  LEU   9          1HD1      LEU   9 -16.428   2.224   2.224
   68   3HD1  LEU   9          3HD1      LEU   9 -15.644   1.313   1.313
   69   1HD2  LEU   9          1HD2      LEU   9 -18.772  -0.255  -0.255
   70   2HD2  LEU   9          3HD2      LEU   9 -17.409   0.722   0.722
   71   3HD2  LEU   9          2HD2      LEU   9 -18.763   1.476   1.476
   72   1HN   CGU  10           HN       GLA  10 -16.588  -1.675  -1.675
   73    HA   CGU  10           HA       GLA  10 -14.048  -0.542  -0.542
   74   1HB   CGU  10          1HB       GLA  10 -14.847  -2.558  -2.558
   75   2HB   CGU  10          2HB       GLA  10 -13.241  -2.716  -2.716
   76    HG   CGU  10           HG       GLA  10 -15.665  -3.820  -3.820
   77    H    ASN  11           H        ASN  11 -15.683  -1.865  -1.865
   78    HA   ASN  11           HA       ASN  11 -13.203  -2.079  -2.079
   79   1HB   ASN  11          2HB       ASN  11 -15.647  -3.538  -3.538
   80   2HB   ASN  11          1HB       ASN  11 -15.767  -2.512  -2.512
   81   1HD2  ASN  11          2HD2      ASN  11 -12.811  -3.948  -3.948
   82   2HD2  ASN  11          1HD2      ASN  11 -13.546  -2.438  -2.438
   83    H    LEU  12           H        LEU  12 -16.088  -0.266  -0.266
   84    HA   LEU  12           HA       LEU  12 -15.962   1.403   1.403
   85   1HB   LEU  12          2HB       LEU  12 -17.501   1.296   1.296
   86   2HB   LEU  12          1HB       LEU  12 -17.275   2.922   2.922
   87    HG   LEU  12           HG       LEU  12 -18.304   0.743   0.743
   88   1HD1  LEU  12          3HD1      LEU  12 -19.835   0.949   0.949
   89   2HD1  LEU  12          2HD1      LEU  12 -19.930   2.681   2.681
   90   3HD1  LEU  12          1HD1      LEU  12 -20.584   1.574   1.574
   91   1HD2  LEU  12          1HD2      LEU  12 -18.479   3.799   3.799
   92   2HD2  LEU  12          3HD2      LEU  12 -17.448   2.827   2.827
   93   3HD2  LEU  12          2HD2      LEU  12 -19.192   2.736   2.736
   94    H    ARG  13           H        ARG  13 -15.007   2.013   2.013
   95    HA   ARG  13           HA       ARG  13 -13.817   4.583   4.583
   96   1HB   ARG  13          2HB       ARG  13 -13.737   2.491   2.491
   97   2HB   ARG  13          1HB       ARG  13 -12.450   3.677   3.677
   98   1HG   ARG  13          2HG       ARG  13 -14.248   4.496   4.496
   99   2HG   ARG  13          1HG       ARG  13 -14.160   5.515   5.515
  100   1HD   ARG  13          2HD       ARG  13 -16.003   3.134   3.134
  101   2HD   ARG  13          1HD       ARG  13 -16.501   4.481   4.481
  102    HE   ARG  13           HE       ARG  13 -15.632   5.494   5.494
  103   1HH1  ARG  13          2HH1      ARG  13 -18.182   3.663   3.663
  104   2HH1  ARG  13          1HH1      ARG  13 -19.362   4.157   4.157
  105   1HH2  ARG  13          1HH2      ARG  13 -17.106   6.130   6.130
  106   2HH2  ARG  13          2HH2      ARG  13 -18.746   5.575   5.575
  107   1HN   CGU  14           HN       GLA  14 -12.604   1.271   1.271
  108    HA   CGU  14           HA       GLA  14  -9.886   1.960   1.960
  109   1HB   CGU  14          1HB       GLA  14 -10.083  -0.640  -0.640
  110   2HB   CGU  14          2HB       GLA  14 -11.596  -0.471  -0.471
  111    HG   CGU  14           HG       GLA  14 -10.249  -1.078  -1.078
  112    H    ALA  15           H        ALA  15 -12.648   1.890   1.890
  113    HA   ALA  15           HA       ALA  15 -11.517   1.084   1.084
  114   1HB   ALA  15          3HB       ALA  15 -14.021   1.577   1.577
  115   2HB   ALA  15          2HB       ALA  15 -13.629   3.264   3.264
  116   3HB   ALA  15          1HB       ALA  15 -13.446   2.079   2.079
  117    H    GLU  16           H        GLU  16 -11.591   4.098   4.098
  118    HA   GLU  16           HA       GLU  16 -10.139   5.598   5.598
  119   1HB   GLU  16          2HB       GLU  16 -11.925   6.716   6.716
  120   2HB   GLU  16          1HB       GLU  16 -11.195   6.311   6.311
  121   1HG   GLU  16          2HG       GLU  16  -9.668   7.954   7.954
  122   2HG   GLU  16          1HG       GLU  16 -10.826   8.724   8.724
  123    H    VAL  17           H        VAL  17  -9.657   4.718   4.718
  124    HA   VAL  17           HA       VAL  17  -7.030   5.577   5.577
  125    HB   VAL  17           HB       VAL  17  -8.488   3.284   3.284
  126   1HG1  VAL  17          2HG1      VAL  17  -5.936   4.743   4.743
  127   2HG1  VAL  17          1HG1      VAL  17  -6.900   3.859   3.859
  128   3HG1  VAL  17          3HG1      VAL  17  -6.170   3.010   3.010
  129   1HG2  VAL  17          2HG2      VAL  17  -9.607   5.552   5.552
  130   2HG2  VAL  17          1HG2      VAL  17  -9.071   4.967   4.967
  131   3HG2  VAL  17          3HG2      VAL  17  -8.139   6.191   6.191
  132    H    LYS  18           H        LYS  18  -8.149   3.024   3.024
  133    HA   LYS  18           HA       LYS  18  -6.209   1.010   1.010
  134   1HB   LYS  18          2HB       LYS  18  -8.263   1.033   1.033
  135   2HB   LYS  18          1HB       LYS  18  -7.375   2.081   2.081
  136   1HG   LYS  18          2HG       LYS  18  -5.603  -0.102  -0.102
  137   2HG   LYS  18          1HG       LYS  18  -7.185  -0.833  -0.833
  138   1HD   LYS  18          2HD       LYS  18  -6.294  -0.838  -0.838
  139   2HD   LYS  18          1HD       LYS  18  -7.532   0.400   0.400
  140   1HE   LYS  18          2HE       LYS  18  -5.469   1.185   1.185
  141   2HE   LYS  18          1HE       LYS  18  -5.782   2.161   2.161
  142   1HZ   LYS  18          3HZ       LYS  18  -4.117  -0.174  -0.174
  143   2HZ   LYS  18          2HZ       LYS  18  -3.445   1.055   1.055
  144   3HZ   LYS  18          1HZ       LYS  18  -3.968   1.402   1.402
  145    H    LYS  19           H        LYS  19  -6.120   3.974   3.974
  146    HA   LYS  19           HA       LYS  19  -3.588   3.620   3.620
  147   1HB   LYS  19          2HB       LYS  19  -3.713   6.014   6.014
  148   2HB   LYS  19          1HB       LYS  19  -5.313   5.322   5.322
  149   1HG   LYS  19          2HG       LYS  19  -5.558   6.073   6.073
  150   2HG   LYS  19          1HG       LYS  19  -4.238   7.148   7.148
  151   1HD   LYS  19          2HD       LYS  19  -6.726   7.027   7.027
  152   2HD   LYS  19          1HD       LYS  19  -6.693   8.008   8.008
  153   1HE   LYS  19          2HE       LYS  19  -4.572   8.259   8.259
  154   2HE   LYS  19          1HE       LYS  19  -6.029   9.237   9.237
  155   1HZ   LYS  19          3HZ       LYS  19  -4.707   9.203   9.203
  156   2HZ   LYS  19          2HZ       LYS  19  -3.696   9.772   9.772
  157   3HZ   LYS  19          1HZ       LYS  19  -5.195  10.518  10.518
  158    H    ASN  20           H        ASN  20  -4.490   5.020   5.020
  159    HA   ASN  20           HA       ASN  20  -1.851   5.935   5.935
  160   1HB   ASN  20          2HB       ASN  20  -4.186   6.678   6.678
  161   2HB   ASN  20          1HB       ASN  20  -4.075   5.261   5.261
  162   1HD2  ASN  20          2HD2      ASN  20  -1.377   6.579   6.579
  163   2HD2  ASN  20          1HD2      ASN  20  -2.067   5.129   5.129
  164    H    ALA  21           H        ALA  21  -3.553   2.965   2.965
  165    HA   ALA  21           HA       ALA  21  -1.724   1.686   1.686
  166   1HB   ALA  21          2HB       ALA  21  -4.188   1.172   1.172
  167   2HB   ALA  21          1HB       ALA  21  -3.979   0.475   0.475
  168   3HB   ALA  21          3HB       ALA  21  -3.194  -0.260  -0.260
  169   1HN   NH2  22          1HT       ALA  21  -1.890   2.138   2.138
  170   2HN   NH2  22          2HT       ALA  21  -0.707   0.996   0.996

  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -29.790  -5.970  -5.970
    2   2H    GLY   1          3H        GLY   1 -28.839  -7.337  -7.337
    3   3H    GLY   1          2H        GLY   1 -30.439  -7.249  -7.249
    4   1HA   GLY   1          1HA       GLY   1 -29.866  -5.402  -5.402
    5   2HA   GLY   1          2HA       GLY   1 -28.848  -6.864  -6.864
    6    H    GLU   2           H        GLU   2 -27.545  -5.136  -5.136
    7    HA   GLU   2           HA       GLU   2 -26.050  -3.383  -3.383
    8   1HB   GLU   2          2HB       GLU   2 -24.895  -2.675  -2.675
    9   2HB   GLU   2          1HB       GLU   2 -26.629  -2.518  -2.518
   10   1HG   GLU   2          2HG       GLU   2 -25.500  -5.152  -5.152
   11   2HG   GLU   2          1HG       GLU   2 -25.133  -3.759  -3.759
   12   1HN   CGU   3           HN       GLA   3 -25.912  -6.546  -6.546
   13    HA   CGU   3           HA       GLA   3 -23.161  -7.134  -7.134
   14   1HB   CGU   3          1HB       GLA   3 -23.731  -9.396  -9.396
   15   2HB   CGU   3          2HB       GLA   3 -25.193  -8.767  -8.767
   16    HG   CGU   3           HG       GLA   3 -25.890  -8.003  -8.003
   17   1HN   CGU   4           HN       GLA   4 -25.014  -7.002  -7.002
   18    HA   CGU   4           HA       GLA   4 -22.687  -7.296  -7.296
   19   1HB   CGU   4          1HB       GLA   4 -24.311  -7.183  -7.183
   20   2HB   CGU   4          2HB       GLA   4 -25.502  -6.448  -6.448
   21    HG   CGU   4           HG       GLA   4 -25.750  -8.480  -8.480
   22    H    TYR   5           H        TYR   5 -23.540  -4.792  -4.792
   23    HA   TYR   5           HA       TYR   5 -23.059  -2.652  -2.652
   24   1HB   TYR   5          2HB       TYR   5 -24.892  -2.276  -2.276
   25   2HB   TYR   5          1HB       TYR   5 -23.771  -2.518  -2.518
   26    HD1  TYR   5           HD2      TYR   5 -22.040  -0.821  -0.821
   27    HD2  TYR   5           HD1      TYR   5 -24.830  -0.199  -0.199
   28    HE1  TYR   5           HE2      TYR   5 -21.417   1.542   1.542
   29    HE2  TYR   5           HE1      TYR   5 -24.202   2.165   2.165
   30    HH   TYR   5           HH       TYR   5 -21.727   3.503   3.503
   31    H    GLN   6           H        GLN   6 -21.704  -3.934  -3.934
   32    HA   GLN   6           HA       GLN   6 -19.382  -2.192  -2.192
   33   1HB   GLN   6          2HB       GLN   6 -20.507  -3.309  -3.309
   34   2HB   GLN   6          1HB       GLN   6 -19.636  -4.761  -4.761
   35   1HG   GLN   6          2HG       GLN   6 -17.870  -2.369  -2.369
   36   2HG   GLN   6          1HG       GLN   6 -18.664  -2.625  -2.625
   37   1HE2  GLN   6          2HE2      GLN   6 -17.037  -5.765  -5.765
   38   2HE2  GLN   6          1HE2      GLN   6 -18.477  -4.916  -4.916
   39    H    LYS   7           H        LYS   7 -20.113  -4.795  -4.795
   40    HA   LYS   7           HA       LYS   7 -17.299  -5.793  -5.793
   41   1HB   LYS   7          2HB       LYS   7 -18.219  -7.652  -7.652
   42   2HB   LYS   7          1HB       LYS   7 -19.384  -7.378  -7.378
   43   1HG   LYS   7          2HG       LYS   7 -20.854  -6.164  -6.164
   44   2HG   LYS   7          1HG       LYS   7 -19.674  -6.278  -6.278
   45   1HD   LYS   7          2HD       LYS   7 -19.810  -8.822  -8.822
   46   2HD   LYS   7          1HD       LYS   7 -21.200  -8.583  -8.583
   47   1HE   LYS   7          2HE       LYS   7 -22.083  -8.869  -8.869
   48   2HE   LYS   7          1HE       LYS   7 -22.188  -7.144  -7.144
   49   1HZ   LYS   7          2HZ       LYS   7 -19.964  -6.966  -6.966
   50   2HZ   LYS   7          1HZ       LYS   7 -20.152  -8.579  -8.579
   51   3HZ   LYS   7          3HZ       LYS   7 -21.251  -7.397  -7.397
   52    H    MET   8           H        MET   8 -19.802  -4.168  -4.168
   53    HA   MET   8           HA       MET   8 -18.152  -3.641  -3.641
   54   1HB   MET   8          2HB       MET   8 -20.235  -2.608  -2.608
   55   2HB   MET   8          1HB       MET   8 -20.575  -4.180  -4.180
   56   1HG   MET   8          2HG       MET   8 -22.278  -2.944  -2.944
   57   2HG   MET   8          1HG       MET   8 -21.137  -2.844  -2.844
   58   1HE   MET   8          2HE       MET   8 -23.607  -1.192  -1.192
   59   2HE   MET   8          1HE       MET   8 -23.798  -0.973  -0.973
   60   3HE   MET   8          3HE       MET   8 -23.575   0.411   0.411
   61    H    LEU   9           H        LEU   9 -18.603  -2.089  -2.089
   62    HA   LEU   9           HA       LEU   9 -18.454   0.627   0.627
   63   1HB   LEU   9          2HB       LEU   9 -18.713   0.834   0.834
   64   2HB   LEU   9          1HB       LEU   9 -18.978  -0.848  -0.848
   65    HG   LEU   9           HG       LEU   9 -17.754  -0.301  -0.301
   66   1HD1  LEU   9          3HD1      LEU   9 -16.647  -2.205  -2.205
   67   2HD1  LEU   9          2HD1      LEU   9 -15.244  -1.248  -1.248
   68   3HD1  LEU   9          1HD1      LEU   9 -16.285  -1.906  -1.906
   69   1HD2  LEU   9          3HD2      LEU   9 -16.751   1.926   1.926
   70   2HD2  LEU   9          2HD2      LEU   9 -16.053   1.331   1.331
   71   3HD2  LEU   9          1HD2      LEU   9 -15.308   0.937   0.937
   72   1HN   CGU  10           HN       GLA  10 -16.317  -1.747  -1.747
   73    HA   CGU  10           HA       GLA  10 -13.820  -0.302  -0.302
   74   1HB   CGU  10          1HB       GLA  10 -14.776  -3.035  -3.035
   75   2HB   CGU  10          2HB       GLA  10 -13.328  -2.287  -2.287
   76    HG   CGU  10           HG       GLA  10 -13.716  -3.648  -3.648
   77    H    ASN  11           H        ASN  11 -15.406  -2.501  -2.501
   78    HA   ASN  11           HA       ASN  11 -13.496  -2.034  -2.034
   79   1HB   ASN  11          2HB       ASN  11 -15.517  -3.861  -3.861
   80   2HB   ASN  11          1HB       ASN  11 -16.332  -2.752  -2.752
   81   1HD2  ASN  11          2HD2      ASN  11 -13.480  -5.196  -5.196
   82   2HD2  ASN  11          1HD2      ASN  11 -14.065  -5.314  -5.314
   83    H    LEU  12           H        LEU  12 -15.872  -0.046  -0.046
   84    HA   LEU  12           HA       LEU  12 -16.257   1.505   1.505
   85   1HB   LEU  12          2HB       LEU  12 -17.612   1.199   1.199
   86   2HB   LEU  12          1HB       LEU  12 -17.520   2.864   2.864
   87    HG   LEU  12           HG       LEU  12 -18.628   0.633   0.633
   88   1HD1  LEU  12          3HD1      LEU  12 -19.915   1.361   1.361
   89   2HD1  LEU  12          2HD1      LEU  12 -20.259   2.843   2.843
   90   3HD1  LEU  12          1HD1      LEU  12 -20.820   1.303   1.303
   91   1HD2  LEU  12          3HD2      LEU  12 -18.243   3.615   3.615
   92   2HD2  LEU  12          2HD2      LEU  12 -17.988   2.308   2.308
   93   3HD2  LEU  12          1HD2      LEU  12 -19.614   2.838   2.838
   94    H    ARG  13           H        ARG  13 -15.036   1.839   1.839
   95    HA   ARG  13           HA       ARG  13 -13.592   4.354   4.354
   96   1HB   ARG  13          2HB       ARG  13 -13.774   2.868   2.868
   97   2HB   ARG  13          1HB       ARG  13 -13.355   4.547   4.547
   98   1HG   ARG  13          2HG       ARG  13 -16.010   3.984   3.984
   99   2HG   ARG  13          1HG       ARG  13 -15.941   3.461   3.461
  100   1HD   ARG  13          2HD       ARG  13 -15.982   5.553   5.553
  101   2HD   ARG  13          1HD       ARG  13 -14.772   6.157   6.157
  102    HE   ARG  13           HE       ARG  13 -16.475   7.070   7.070
  103   1HH1  ARG  13          2HH1      ARG  13 -17.726   4.414   4.414
  104   2HH1  ARG  13          1HH1      ARG  13 -19.375   4.690   4.690
  105   1HH2  ARG  13          1HH2      ARG  13 -18.519   7.442   7.442
  106   2HH2  ARG  13          2HH2      ARG  13 -19.825   6.445   6.445
  107   1HN   CGU  14           HN       GLA  14 -12.858   1.390   1.390
  108    HA   CGU  14           HA       GLA  14 -10.502   0.631   0.631
  109   1HB   CGU  14          1HB       GLA  14 -11.873  -0.633  -0.633
  110   2HB   CGU  14          2HB       GLA  14 -10.165  -0.901  -0.901
  111    HG   CGU  14           HG       GLA  14 -11.347   1.233   1.233
  112    H    ALA  15           H        ALA  15 -11.075   3.198   3.198
  113    HA   ALA  15           HA       ALA  15  -8.260   3.689   3.689
  114   1HB   ALA  15          2HB       ALA  15 -10.817   5.239   5.239
  115   2HB   ALA  15          1HB       ALA  15  -9.256   5.610   5.610
  116   3HB   ALA  15          3HB       ALA  15 -10.067   4.100   4.100
  117    H    GLU  16           H        GLU  16 -10.824   5.072   5.072
  118    HA   GLU  16           HA       GLU  16  -9.315   7.310   7.310
  119   1HB   GLU  16          2HB       GLU  16 -11.968   6.712   6.712
  120   2HB   GLU  16          1HB       GLU  16 -11.628   6.225   6.225
  121   1HG   GLU  16          2HG       GLU  16 -11.293   8.380   8.380
  122   2HG   GLU  16          1HG       GLU  16 -10.444   8.873   8.873
  123    H    VAL  17           H        VAL  17  -9.404   4.014   4.014
  124    HA   VAL  17           HA       VAL  17  -8.895   4.004   4.004
  125    HB   VAL  17           HB       VAL  17  -7.916   2.236   2.236
  126   1HG1  VAL  17          2HG1      VAL  17  -7.310   1.895   1.895
  127   2HG1  VAL  17          1HG1      VAL  17  -7.287   0.552   0.552
  128   3HG1  VAL  17          3HG1      VAL  17  -6.165   1.882   1.882
  129   1HG2  VAL  17          1HG2      VAL  17 -10.383   2.401   2.401
  130   2HG2  VAL  17          3HG2      VAL  17  -9.720   0.873   0.873
  131   3HG2  VAL  17          2HG2      VAL  17  -9.672   1.295   1.295
  132    H    LYS  18           H        LYS  18  -6.825   4.876   4.876
  133    HA   LYS  18           HA       LYS  18  -4.260   4.819   4.819
  134   1HB   LYS  18          2HB       LYS  18  -4.630   5.214   5.214
  135   2HB   LYS  18          1HB       LYS  18  -5.486   6.702   6.702
  136   1HG   LYS  18          2HG       LYS  18  -2.640   6.449   6.449
  137   2HG   LYS  18          1HG       LYS  18  -2.887   6.663   6.663
  138   1HD   LYS  18          2HD       LYS  18  -4.589   8.598   8.598
  139   2HD   LYS  18          1HD       LYS  18  -3.063   8.653   8.653
  140   1HE   LYS  18          2HE       LYS  18  -1.860   9.016   9.016
  141   2HE   LYS  18          1HE       LYS  18  -3.368   8.872   8.872
  142   1HZ   LYS  18          1HZ       LYS  18  -2.788  10.923  10.923
  143   2HZ   LYS  18          3HZ       LYS  18  -2.760  11.169  11.169
  144   3HZ   LYS  18          2HZ       LYS  18  -4.220  10.788  10.788
  145    H    LYS  19           H        LYS  19  -6.463   7.564   7.564
  146    HA   LYS  19           HA       LYS  19  -4.959   9.111   9.111
  147   1HB   LYS  19          2HB       LYS  19  -6.011  10.018  10.018
  148   2HB   LYS  19          1HB       LYS  19  -7.570   9.824   9.824
  149   1HG   LYS  19          2HG       LYS  19  -6.035  11.261  11.261
  150   2HG   LYS  19          1HG       LYS  19  -5.493  11.894  11.894
  151   1HD   LYS  19          2HD       LYS  19  -7.335  13.261  13.261
  152   2HD   LYS  19          1HD       LYS  19  -7.921  12.285  12.285
  153   1HE   LYS  19          2HE       LYS  19  -8.847  10.648  10.648
  154   2HE   LYS  19          1HE       LYS  19  -8.431  11.858  11.858
  155   1HZ   LYS  19          2HZ       LYS  19  -9.804  13.444  13.444
  156   2HZ   LYS  19          1HZ       LYS  19 -10.308  12.161  12.161
  157   3HZ   LYS  19          3HZ       LYS  19 -10.681  12.151  12.151
  158    H    ASN  20           H        ASN  20  -7.439   6.841   6.841
  159    HA   ASN  20           HA       ASN  20  -8.861   7.958   7.958
  160   1HB   ASN  20          2HB       ASN  20  -9.879   6.495   6.495
  161   2HB   ASN  20          1HB       ASN  20  -9.189   5.136   5.136
  162   1HD2  ASN  20          2HD2      ASN  20 -11.537   5.273   5.273
  163   2HD2  ASN  20          1HD2      ASN  20 -10.064   4.620   4.620
  164    H    ALA  21           H        ALA  21  -6.338   5.674   5.674
  165    HA   ALA  21           HA       ALA  21  -6.390   4.518   4.518
  166   1HB   ALA  21          2HB       ALA  21  -5.806   3.259   3.259
  167   2HB   ALA  21          1HB       ALA  21  -4.264   4.102   4.102
  168   3HB   ALA  21          3HB       ALA  21  -4.711   3.017   3.017
  169   1HN   NH2  22          1HT       ALA  21  -5.982   7.328   7.328
  170   2HN   NH2  22          2HT       ALA  21  -4.401   7.632   7.632

  Start of MODEL    6
    1   1H    GLY   1          2H        GLY   1 -27.314  -4.699  -4.699
    2   2H    GLY   1          1H        GLY   1 -28.528  -3.784  -3.784
    3   3H    GLY   1          3H        GLY   1 -28.875  -5.348  -5.348
    4   1HA   GLY   1          1HA       GLY   1 -27.366  -6.300  -6.300
    5   2HA   GLY   1          2HA       GLY   1 -28.633  -5.303  -5.303
    6    H    GLU   2           H        GLU   2 -25.663  -4.605  -4.605
    7    HA   GLU   2           HA       GLU   2 -24.873  -2.671  -2.671
    8   1HB   GLU   2          2HB       GLU   2 -23.151  -1.989  -1.989
    9   2HB   GLU   2          1HB       GLU   2 -24.760  -1.906  -1.906
   10   1HG   GLU   2          2HG       GLU   2 -24.152  -3.343  -3.343
   11   2HG   GLU   2          1HG       GLU   2 -23.701  -4.587  -4.587
   12   1HN   CGU   3           HN       GLA   3 -24.103  -5.827  -5.827
   13    HA   CGU   3           HA       GLA   3 -21.383  -6.063  -6.063
   14   1HB   CGU   3          1HB       GLA   3 -21.853  -8.507  -8.507
   15   2HB   CGU   3          2HB       GLA   3 -23.566  -8.174  -8.174
   16    HG   CGU   3           HG       GLA   3 -23.036  -6.838  -6.838
   17   1HN   CGU   4           HN       GLA   4 -24.355  -6.778  -6.778
   18    HA   CGU   4           HA       GLA   4 -23.220  -7.630  -7.630
   19   1HB   CGU   4          1HB       GLA   4 -25.527  -8.082  -8.082
   20   2HB   CGU   4          2HB       GLA   4 -25.493  -7.113  -7.113
   21    HG   CGU   4           HG       GLA   4 -25.513  -5.341  -5.341
   22    H    TYR   5           H        TYR   5 -23.554  -4.532  -4.532
   23    HA   TYR   5           HA       TYR   5 -23.157  -3.101  -3.101
   24   1HB   TYR   5          2HB       TYR   5 -24.755  -2.337  -2.337
   25   2HB   TYR   5          1HB       TYR   5 -23.279  -1.767  -1.767
   26    HD1  TYR   5           HD2      TYR   5 -21.944   0.034   0.034
   27    HD2  TYR   5           HD1      TYR   5 -25.572  -1.322  -1.322
   28    HE1  TYR   5           HE2      TYR   5 -21.965   2.000   2.000
   29    HE2  TYR   5           HE1      TYR   5 -25.590   0.648   0.648
   30    HH   TYR   5           HH       TYR   5 -24.573   2.529   2.529
   31    H    GLN   6           H        GLN   6 -21.534  -4.035  -4.035
   32    HA   GLN   6           HA       GLN   6 -19.273  -2.330  -2.330
   33   1HB   GLN   6          2HB       GLN   6 -20.208  -4.318  -4.318
   34   2HB   GLN   6          1HB       GLN   6 -18.805  -5.102  -5.102
   35   1HG   GLN   6          2HG       GLN   6 -17.517  -2.929  -2.929
   36   2HG   GLN   6          1HG       GLN   6 -18.914  -2.489  -2.489
   37   1HE2  GLN   6          2HE2      GLN   6 -16.210  -4.935  -4.935
   38   2HE2  GLN   6          1HE2      GLN   6 -15.951  -3.942  -3.942
   39    H    LYS   7           H        LYS   7 -19.847  -5.442  -5.442
   40    HA   LYS   7           HA       LYS   7 -17.192  -5.907  -5.907
   41   1HB   LYS   7          2HB       LYS   7 -18.431  -7.368  -7.368
   42   2HB   LYS   7          1HB       LYS   7 -18.614  -7.789  -7.789
   43   1HG   LYS   7          2HG       LYS   7 -20.842  -7.012  -7.012
   44   2HG   LYS   7          1HG       LYS   7 -20.661  -5.937  -5.937
   45   1HD   LYS   7          2HD       LYS   7 -22.018  -7.762  -7.762
   46   2HD   LYS   7          1HD       LYS   7 -20.456  -7.938  -7.938
   47   1HE   LYS   7          2HE       LYS   7 -21.156 -10.123 -10.123
   48   2HE   LYS   7          1HE       LYS   7 -19.825  -9.607  -9.607
   49   1HZ   LYS   7          3HZ       LYS   7 -22.698  -9.312  -9.312
   50   2HZ   LYS   7          2HZ       LYS   7 -21.667 -10.521 -10.521
   51   3HZ   LYS   7          1HZ       LYS   7 -21.391  -8.893  -8.893
   52    H    MET   8           H        MET   8 -19.931  -4.271  -4.271
   53    HA   MET   8           HA       MET   8 -18.430  -3.626  -3.626
   54   1HB   MET   8          2HB       MET   8 -20.586  -2.536  -2.536
   55   2HB   MET   8          1HB       MET   8 -20.770  -4.214  -4.214
   56   1HG   MET   8          2HG       MET   8 -21.634  -3.597  -3.597
   57   2HG   MET   8          1HG       MET   8 -21.306  -1.905  -1.905
   58   1HE   MET   8          1HE       MET   8 -22.769  -0.278  -0.278
   59   2HE   MET   8          3HE       MET   8 -22.569  -0.936  -0.936
   60   3HE   MET   8          2HE       MET   8 -24.170  -0.585  -0.585
   61    H    LEU   9           H        LEU   9 -18.702  -2.196  -2.196
   62    HA   LEU   9           HA       LEU   9 -18.501   0.571   0.571
   63   1HB   LEU   9          2HB       LEU   9 -19.526   0.531   0.531
   64   2HB   LEU   9          1HB       LEU   9 -18.821  -0.987  -0.987
   65    HG   LEU   9           HG       LEU   9 -16.806  -0.106  -0.106
   66   1HD1  LEU   9          3HD1      LEU   9 -17.522   2.316   2.316
   67   2HD1  LEU   9          2HD1      LEU   9 -17.010   2.767   2.767
   68   3HD1  LEU   9          1HD1      LEU   9 -15.945   1.838   1.838
   69   1HD2  LEU   9          3HD2      LEU   9 -18.647   0.008   0.008
   70   2HD2  LEU   9          2HD2      LEU   9 -17.486   1.296   1.296
   71   3HD2  LEU   9          1HD2      LEU   9 -19.008   1.655   1.655
   72   1HN   CGU  10           HN       GLA  10 -16.721  -1.761  -1.761
   73    HA   CGU  10           HA       GLA  10 -14.184  -0.670  -0.670
   74   1HB   CGU  10          1HB       GLA  10 -13.773  -3.423  -3.423
   75   2HB   CGU  10          2HB       GLA  10 -15.311  -3.369  -3.369
   76    HG   CGU  10           HG       GLA  10 -13.956  -1.880  -1.880
   77    H    ASN  11           H        ASN  11 -15.503  -2.303  -2.303
   78    HA   ASN  11           HA       ASN  11 -13.202  -1.963  -1.963
   79   1HB   ASN  11          2HB       ASN  11 -15.305  -3.660  -3.660
   80   2HB   ASN  11          1HB       ASN  11 -15.900  -2.484  -2.484
   81   1HD2  ASN  11          2HD2      ASN  11 -13.873  -3.812  -3.812
   82   2HD2  ASN  11          1HD2      ASN  11 -15.305  -3.015  -3.015
   83    H    LEU  12           H        LEU  12 -16.179  -0.173  -0.173
   84    HA   LEU  12           HA       LEU  12 -16.172   1.532   1.532
   85   1HB   LEU  12          2HB       LEU  12 -18.158   2.139   2.139
   86   2HB   LEU  12          1HB       LEU  12 -17.687   1.192   1.192
   87    HG   LEU  12           HG       LEU  12 -16.571   3.147   3.147
   88   1HD1  LEU  12          2HD1      LEU  12 -17.097   4.386   4.386
   89   2HD1  LEU  12          1HD1      LEU  12 -17.813   5.343   5.343
   90   3HD1  LEU  12          3HD1      LEU  12 -16.102   4.991   4.991
   91   1HD2  LEU  12          3HD2      LEU  12 -19.500   3.520   3.520
   92   2HD2  LEU  12          2HD2      LEU  12 -18.881   2.611   2.611
   93   3HD2  LEU  12          1HD2      LEU  12 -18.683   4.348   4.348
   94    H    ARG  13           H        ARG  13 -14.845   2.038   2.038
   95    HA   ARG  13           HA       ARG  13 -13.564   4.541   4.541
   96   1HB   ARG  13          2HB       ARG  13 -14.235   3.518   3.518
   97   2HB   ARG  13          1HB       ARG  13 -12.607   2.881   2.881
   98   1HG   ARG  13          2HG       ARG  13 -12.431   5.024   5.024
   99   2HG   ARG  13          1HG       ARG  13 -11.804   5.256   5.256
  100   1HD   ARG  13          2HD       ARG  13 -13.286   7.112   7.112
  101   2HD   ARG  13          1HD       ARG  13 -14.076   6.172   6.172
  102    HE   ARG  13           HE       ARG  13 -14.768   5.401   5.401
  103   1HH1  ARG  13          2HH1      ARG  13 -15.565   7.338   7.338
  104   2HH1  ARG  13          1HH1      ARG  13 -17.204   7.561   7.561
  105   1HH2  ARG  13          1HH2      ARG  13 -16.878   5.672   5.672
  106   2HH2  ARG  13          2HH2      ARG  13 -17.953   6.612   6.612
  107   1HN   CGU  14           HN       GLA  14 -12.608   1.193   1.193
  108    HA   CGU  14           HA       GLA  14  -9.820   1.468   1.468
  109   1HB   CGU  14          1HB       GLA  14 -10.461  -0.836  -0.836
  110   2HB   CGU  14          2HB       GLA  14 -11.795  -0.665  -0.665
  111    HG   CGU  14           HG       GLA  14 -10.114  -0.432  -0.432
  112    H    ALA  15           H        ALA  15 -12.403   1.893   1.893
  113    HA   ALA  15           HA       ALA  15 -11.148   1.548   1.548
  114   1HB   ALA  15          1HB       ALA  15 -13.653   2.055   2.055
  115   2HB   ALA  15          3HB       ALA  15 -13.185   3.745   3.745
  116   3HB   ALA  15          2HB       ALA  15 -12.973   2.766   2.766
  117    H    GLU  16           H        GLU  16 -11.217   4.304   4.304
  118    HA   GLU  16           HA       GLU  16  -9.502   5.899   5.899
  119   1HB   GLU  16          2HB       GLU  16 -11.616   6.662   6.662
  120   2HB   GLU  16          1HB       GLU  16 -10.400   6.899   6.899
  121   1HG   GLU  16          2HG       GLU  16  -9.084   8.240   8.240
  122   2HG   GLU  16          1HG       GLU  16 -10.585   8.210   8.210
  123    H    VAL  17           H        VAL  17  -9.185   3.918   3.918
  124    HA   VAL  17           HA       VAL  17  -6.953   5.098   5.098
  125    HB   VAL  17           HB       VAL  17  -7.975   2.234   2.234
  126   1HG1  VAL  17          1HG1      VAL  17  -5.634   3.378   3.378
  127   2HG1  VAL  17          3HG1      VAL  17  -6.541   2.008   2.008
  128   3HG1  VAL  17          2HG1      VAL  17  -5.699   1.882   1.882
  129   1HG2  VAL  17          3HG2      VAL  17  -9.232   4.279   4.279
  130   2HG2  VAL  17          2HG2      VAL  17  -9.041   2.810   2.810
  131   3HG2  VAL  17          1HG2      VAL  17  -7.970   4.171   4.171
  132    H    LYS  18           H        LYS  18  -7.182   3.599   3.599
  133    HA   LYS  18           HA       LYS  18  -4.867   2.155   2.155
  134   1HB   LYS  18          2HB       LYS  18  -6.581   2.497   2.497
  135   2HB   LYS  18          1HB       LYS  18  -6.219   4.207   4.207
  136   1HG   LYS  18          2HG       LYS  18  -5.178   3.123   3.123
  137   2HG   LYS  18          1HG       LYS  18  -3.902   3.659   3.659
  138   1HD   LYS  18          2HD       LYS  18  -3.658   1.373   1.373
  139   2HD   LYS  18          1HD       LYS  18  -5.027   0.822   0.822
  140   1HE   LYS  18          2HE       LYS  18  -3.809   1.269   1.269
  141   2HE   LYS  18          1HE       LYS  18  -2.473   1.985   1.985
  142   1HZ   LYS  18          3HZ       LYS  18  -2.441  -0.275  -0.275
  143   2HZ   LYS  18          2HZ       LYS  18  -3.292  -0.825  -0.825
  144   3HZ   LYS  18          1HZ       LYS  18  -1.750  -0.134  -0.134
  145    H    LYS  19           H        LYS  19  -5.200   5.625   5.625
  146    HA   LYS  19           HA       LYS  19  -2.579   6.380   6.380
  147   1HB   LYS  19          2HB       LYS  19  -4.343   8.061   8.061
  148   2HB   LYS  19          1HB       LYS  19  -4.631   7.703   7.703
  149   1HG   LYS  19          2HG       LYS  19  -3.381   9.765   9.765
  150   2HG   LYS  19          1HG       LYS  19  -2.293   8.547   8.547
  151   1HD   LYS  19          2HD       LYS  19  -2.011   8.477   8.477
  152   2HD   LYS  19          1HD       LYS  19  -2.115  10.171  10.171
  153   1HE   LYS  19          2HE       LYS  19  -0.172   8.182   8.182
  154   2HE   LYS  19          1HE       LYS  19   0.237   9.376   9.376
  155   1HZ   LYS  19          3HZ       LYS  19  -0.821  10.993  10.993
  156   2HZ   LYS  19          2HZ       LYS  19  -0.428   9.760   9.760
  157   3HZ   LYS  19          1HZ       LYS  19   0.791  10.482  10.482
  158    H    ASN  20           H        ASN  20  -3.963   5.903   5.903
  159    HA   ASN  20           HA       ASN  20  -1.423   6.105   6.105
  160   1HB   ASN  20          2HB       ASN  20  -4.102   6.333   6.333
  161   2HB   ASN  20          1HB       ASN  20  -3.675   4.788   4.788
  162   1HD2  ASN  20          2HD2      ASN  20  -1.091   6.288   6.288
  163   2HD2  ASN  20          1HD2      ASN  20  -1.300   4.937   4.937
  164    H    ALA  21           H        ALA  21  -2.733   3.694   3.694
  165    HA   ALA  21           HA       ALA  21  -1.771   1.391   1.391
  166   1HB   ALA  21          2HB       ALA  21  -3.856   1.364   1.364
  167   2HB   ALA  21          1HB       ALA  21  -2.793   1.453   1.453
  168   3HB   ALA  21          3HB       ALA  21  -2.725   0.065   0.065
  169   1HN   NH2  22          1HT       ALA  21   0.298   3.350   3.350
  170   2HN   NH2  22          2HT       ALA  21   1.394   2.543   2.543

  Start of MODEL    7
    1   1H    GLY   1          3H        GLY   1 -24.074  -9.739  -9.739
    2   2H    GLY   1          2H        GLY   1 -24.690  -9.326  -9.326
    3   3H    GLY   1          1H        GLY   1 -25.441 -10.540 -10.540
    4   1HA   GLY   1          1HA       GLY   1 -26.234  -9.064  -9.064
    5   2HA   GLY   1          2HA       GLY   1 -26.561  -8.341  -8.341
    6    H    GLU   2           H        GLU   2 -24.747  -6.984  -6.984
    7    HA   GLU   2           HA       GLU   2 -24.367  -4.776  -4.776
    8   1HB   GLU   2          2HB       GLU   2 -22.965  -5.495  -5.495
    9   2HB   GLU   2          1HB       GLU   2 -22.811  -3.943  -3.943
   10   1HG   GLU   2          2HG       GLU   2 -25.153  -3.440  -3.440
   11   2HG   GLU   2          1HG       GLU   2 -25.534  -5.086  -5.086
   12   1HN   CGU   3           HN       GLA   3 -22.529  -7.623  -7.623
   13    HA   CGU   3           HA       GLA   3 -19.971  -6.580  -6.580
   14   1HB   CGU   3          1HB       GLA   3 -19.291  -8.882  -8.882
   15   2HB   CGU   3          2HB       GLA   3 -20.945  -9.449  -9.449
   16    HG   CGU   3           HG       GLA   3 -20.214  -7.668  -7.668
   17   1HN   CGU   4           HN       GLA   4 -22.855  -7.628  -7.628
   18    HA   CGU   4           HA       GLA   4 -21.744  -8.124  -8.124
   19   1HB   CGU   4          1HB       GLA   4 -24.251  -7.916  -7.916
   20   2HB   CGU   4          2HB       GLA   4 -24.554  -7.674  -7.674
   21    HG   CGU   4           HG       GLA   4 -24.899  -9.927  -9.927
   22    H    TYR   5           H        TYR   5 -23.264  -5.480  -5.480
   23    HA   TYR   5           HA       TYR   5 -23.295  -3.666  -3.666
   24   1HB   TYR   5          2HB       TYR   5 -24.821  -3.562  -3.562
   25   2HB   TYR   5          1HB       TYR   5 -23.439  -2.919  -2.919
   26    HD1  TYR   5           HD2      TYR   5 -25.871  -2.268  -2.268
   27    HD2  TYR   5           HD1      TYR   5 -22.589  -0.664  -0.664
   28    HE1  TYR   5           HE2      TYR   5 -26.352  -0.044  -0.044
   29    HE2  TYR   5           HE1      TYR   5 -23.073   1.558   1.558
   30    HH   TYR   5           HH       TYR   5 -24.460   2.793   2.793
   31    H    GLN   6           H        GLN   6 -21.199  -4.456  -4.456
   32    HA   GLN   6           HA       GLN   6 -19.333  -2.271  -2.271
   33   1HB   GLN   6          2HB       GLN   6 -19.404  -4.888  -4.888
   34   2HB   GLN   6          1HB       GLN   6 -17.843  -4.142  -4.142
   35   1HG   GLN   6          2HG       GLN   6 -18.798  -2.019  -2.019
   36   2HG   GLN   6          1HG       GLN   6 -20.261  -2.923  -2.923
   37   1HE2  GLN   6          2HE2      GLN   6 -16.838  -3.569  -3.569
   38   2HE2  GLN   6          1HE2      GLN   6 -16.818  -2.603  -2.603
   39    H    LYS   7           H        LYS   7 -19.743  -5.389  -5.389
   40    HA   LYS   7           HA       LYS   7 -17.129  -5.776  -5.776
   41   1HB   LYS   7          2HB       LYS   7 -18.826  -7.574  -7.574
   42   2HB   LYS   7          1HB       LYS   7 -19.871  -6.683  -6.683
   43   1HG   LYS   7          2HG       LYS   7 -18.831  -8.301  -8.301
   44   2HG   LYS   7          1HG       LYS   7 -17.968  -6.825  -6.825
   45   1HD   LYS   7          2HD       LYS   7 -16.121  -7.484  -7.484
   46   2HD   LYS   7          1HD       LYS   7 -17.024  -8.888  -8.888
   47   1HE   LYS   7          2HE       LYS   7 -16.986  -9.796  -9.796
   48   2HE   LYS   7          1HE       LYS   7 -16.019  -8.415  -8.415
   49   1HZ   LYS   7          1HZ       LYS   7 -14.365  -9.070  -9.070
   50   2HZ   LYS   7          3HZ       LYS   7 -15.279 -10.463 -10.463
   51   3HZ   LYS   7          2HZ       LYS   7 -14.596 -10.244 -10.244
   52    H    MET   8           H        MET   8 -20.032  -4.390  -4.390
   53    HA   MET   8           HA       MET   8 -18.742  -3.503  -3.503
   54   1HB   MET   8          2HB       MET   8 -21.251  -3.987  -3.987
   55   2HB   MET   8          1HB       MET   8 -21.317  -2.369  -2.369
   56   1HG   MET   8          2HG       MET   8 -20.036  -2.530  -2.530
   57   2HG   MET   8          1HG       MET   8 -21.690  -3.052  -3.052
   58   1HE   MET   8          2HE       MET   8 -23.632  -1.699  -1.699
   59   2HE   MET   8          1HE       MET   8 -23.542  -1.258  -1.258
   60   3HE   MET   8          3HE       MET   8 -23.789  -0.027  -0.027
   61    H    LEU   9           H        LEU   9 -18.880  -2.132  -2.132
   62    HA   LEU   9           HA       LEU   9 -18.463   0.632   0.632
   63   1HB   LEU   9          2HB       LEU   9 -19.434   0.669   0.669
   64   2HB   LEU   9          1HB       LEU   9 -18.973  -0.953  -0.953
   65    HG   LEU   9           HG       LEU   9 -16.834  -0.328  -0.328
   66   1HD1  LEU   9          2HD1      LEU   9 -17.345   2.245   2.245
   67   2HD1  LEU   9          1HD1      LEU   9 -16.824   2.535   2.535
   68   3HD1  LEU   9          3HD1      LEU   9 -15.816   1.604   1.604
   69   1HD2  LEU   9          3HD2      LEU   9 -18.683  -0.210  -0.210
   70   2HD2  LEU   9          2HD2      LEU   9 -17.445   0.968   0.968
   71   3HD2  LEU   9          1HD2      LEU   9 -18.933   1.491   1.491
   72   1HN   CGU  10           HN       GLA  10 -16.705  -1.724  -1.724
   73    HA   CGU  10           HA       GLA  10 -14.137  -0.625  -0.625
   74   1HB   CGU  10          1HB       GLA  10 -13.588  -3.340  -3.340
   75   2HB   CGU  10          2HB       GLA  10 -15.241  -3.380  -3.380
   76    HG   CGU  10           HG       GLA  10 -14.275  -1.540  -1.540
   77    H    ASN  11           H        ASN  11 -15.698  -1.959  -1.959
   78    HA   ASN  11           HA       ASN  11 -13.168  -2.071  -2.071
   79   1HB   ASN  11          2HB       ASN  11 -15.377  -3.710  -3.710
   80   2HB   ASN  11          1HB       ASN  11 -15.795  -2.583  -2.583
   81   1HD2  ASN  11          2HD2      ASN  11 -13.366  -3.834  -3.834
   82   2HD2  ASN  11          1HD2      ASN  11 -14.584  -2.682  -2.682
   83    H    LEU  12           H        LEU  12 -16.063  -0.250  -0.250
   84    HA   LEU  12           HA       LEU  12 -15.926   1.388   1.388
   85   1HB   LEU  12          2HB       LEU  12 -17.515   1.268   1.268
   86   2HB   LEU  12          1HB       LEU  12 -17.217   2.921   2.921
   87    HG   LEU  12           HG       LEU  12 -18.346   0.860   0.860
   88   1HD1  LEU  12          1HD1      LEU  12 -19.865   1.266   1.266
   89   2HD1  LEU  12          3HD1      LEU  12 -19.795   2.989   2.989
   90   3HD1  LEU  12          2HD1      LEU  12 -20.543   1.906   1.906
   91   1HD2  LEU  12          3HD2      LEU  12 -17.194   2.963   2.963
   92   2HD2  LEU  12          2HD2      LEU  12 -18.882   2.786   2.786
   93   3HD2  LEU  12          1HD2      LEU  12 -18.414   3.911   3.911
   94    H    ARG  13           H        ARG  13 -15.061   2.079   2.079
   95    HA   ARG  13           HA       ARG  13 -13.795   4.598   4.598
   96   1HB   ARG  13          2HB       ARG  13 -13.868   2.602   2.602
   97   2HB   ARG  13          1HB       ARG  13 -12.564   3.768   3.768
   98   1HG   ARG  13          2HG       ARG  13 -15.427   4.670   4.670
   99   2HG   ARG  13          1HG       ARG  13 -14.827   4.365   4.365
  100   1HD   ARG  13          2HD       ARG  13 -13.079   6.020   6.020
  101   2HD   ARG  13          1HD       ARG  13 -13.407   6.263   6.263
  102    HE   ARG  13           HE       ARG  13 -14.927   7.348   7.348
  103   1HH1  ARG  13          2HH1      ARG  13 -15.006   6.489   6.489
  104   2HH1  ARG  13          1HH1      ARG  13 -16.325   7.559   7.559
  105   1HH2  ARG  13          1HH2      ARG  13 -16.564   8.698   8.698
  106   2HH2  ARG  13          2HH2      ARG  13 -17.211   8.839   8.839
  107   1HN   CGU  14           HN       GLA  14 -12.672   1.293   1.293
  108    HA   CGU  14           HA       GLA  14  -9.874   1.981   1.981
  109   1HB   CGU  14          1HB       GLA  14 -10.079  -0.630  -0.630
  110   2HB   CGU  14          2HB       GLA  14 -11.529  -0.480  -0.480
  111    HG   CGU  14           HG       GLA  14 -10.034   0.510   0.510
  112    H    ALA  15           H        ALA  15 -12.560   1.779   1.779
  113    HA   ALA  15           HA       ALA  15 -11.291   1.062   1.062
  114   1HB   ALA  15          3HB       ALA  15 -13.842   1.381   1.381
  115   2HB   ALA  15          2HB       ALA  15 -13.559   3.078   3.078
  116   3HB   ALA  15          1HB       ALA  15 -13.250   1.867   1.867
  117    H    GLU  16           H        GLU  16 -11.839   4.150   4.150
  118    HA   GLU  16           HA       GLU  16 -10.526   5.763   5.763
  119   1HB   GLU  16          2HB       GLU  16 -11.515   6.167   6.167
  120   2HB   GLU  16          1HB       GLU  16 -10.422   7.363   7.363
  121   1HG   GLU  16          2HG       GLU  16 -12.582   6.705   6.705
  122   2HG   GLU  16          1HG       GLU  16 -13.210   7.264   7.264
  123    H    VAL  17           H        VAL  17  -9.603   4.643   4.643
  124    HA   VAL  17           HA       VAL  17  -6.969   5.571   5.571
  125    HB   VAL  17           HB       VAL  17  -8.204   3.183   3.183
  126   1HG1  VAL  17          1HG1      VAL  17  -5.611   4.697   4.697
  127   2HG1  VAL  17          3HG1      VAL  17  -6.413   3.806   3.806
  128   3HG1  VAL  17          2HG1      VAL  17  -5.843   2.961   2.961
  129   1HG2  VAL  17          3HG2      VAL  17  -9.274   5.559   5.559
  130   2HG2  VAL  17          2HG2      VAL  17  -8.840   4.671   4.671
  131   3HG2  VAL  17          1HG2      VAL  17  -7.803   5.961   5.961
  132    H    LYS  18           H        LYS  18  -8.296   2.972   2.972
  133    HA   LYS  18           HA       LYS  18  -6.164   1.111   1.111
  134   1HB   LYS  18          2HB       LYS  18  -8.568   0.913   0.913
  135   2HB   LYS  18          1HB       LYS  18  -7.982   1.823   1.823
  136   1HG   LYS  18          2HG       LYS  18  -6.082  -0.303  -0.303
  137   2HG   LYS  18          1HG       LYS  18  -7.671  -1.016  -1.016
  138   1HD   LYS  18          2HD       LYS  18  -6.819   0.726   0.726
  139   2HD   LYS  18          1HD       LYS  18  -6.692  -1.022  -1.022
  140   1HE   LYS  18          2HE       LYS  18  -9.255  -0.984  -0.984
  141   2HE   LYS  18          1HE       LYS  18  -9.204   0.673   0.673
  142   1HZ   LYS  18          1HZ       LYS  18  -8.040  -1.438  -1.438
  143   2HZ   LYS  18          3HZ       LYS  18  -9.730  -1.289  -1.289
  144   3HZ   LYS  18          2HZ       LYS  18  -8.785   0.020   0.020
  145    H    LYS  19           H        LYS  19  -6.867   3.921   3.921
  146    HA   LYS  19           HA       LYS  19  -4.657   3.701   3.701
  147   1HB   LYS  19          2HB       LYS  19  -6.291   6.083   6.083
  148   2HB   LYS  19          1HB       LYS  19  -5.072   6.246   6.246
  149   1HG   LYS  19          2HG       LYS  19  -7.060   4.031   4.031
  150   2HG   LYS  19          1HG       LYS  19  -7.717   5.652   5.652
  151   1HD   LYS  19          2HD       LYS  19  -6.005   6.299   6.299
  152   2HD   LYS  19          1HD       LYS  19  -5.357   4.668   4.668
  153   1HE   LYS  19          2HE       LYS  19  -7.718   3.858   3.858
  154   2HE   LYS  19          1HE       LYS  19  -8.118   5.546   5.546
  155   1HZ   LYS  19          2HZ       LYS  19  -5.665   4.841   4.841
  156   2HZ   LYS  19          1HZ       LYS  19  -6.929   3.831   3.831
  157   3HZ   LYS  19          3HZ       LYS  19  -7.070   5.515   5.515
  158    H    ASN  20           H        ASN  20  -5.072   5.228   5.228
  159    HA   ASN  20           HA       ASN  20  -2.437   6.420   6.420
  160   1HB   ASN  20          2HB       ASN  20  -4.619   7.058   7.058
  161   2HB   ASN  20          1HB       ASN  20  -4.204   5.747   5.747
  162   1HD2  ASN  20          2HD2      ASN  20  -1.462   7.470   7.470
  163   2HD2  ASN  20          1HD2      ASN  20  -2.192   5.951   5.951
  164    H    ALA  21           H        ALA  21  -3.733   3.316   3.316
  165    HA   ALA  21           HA       ALA  21  -1.628   2.364   2.364
  166   1HB   ALA  21          3HB       ALA  21  -4.103   1.494   1.494
  167   2HB   ALA  21          2HB       ALA  21  -3.478   0.561   0.561
  168   3HB   ALA  21          1HB       ALA  21  -2.825   0.326   0.326
  169   1HN   NH2  22          1HT       ALA  21  -1.998   2.687   2.687
  170   2HN   NH2  22          2HT       ALA  21  -0.634   1.779   1.779

  Start of MODEL    8
    1   1H    GLY   1          3H        GLY   1 -28.443  -4.645  -4.645
    2   2H    GLY   1          2H        GLY   1 -28.316  -5.986  -5.986
    3   3H    GLY   1          1H        GLY   1 -29.824  -5.257  -5.257
    4   1HA   GLY   1          1HA       GLY   1 -29.199  -3.319  -3.319
    5   2HA   GLY   1          2HA       GLY   1 -28.779  -4.741  -4.741
    6    H    GLU   2           H        GLU   2 -27.369  -3.230  -3.230
    7    HA   GLU   2           HA       GLU   2 -25.225  -1.820  -1.820
    8   1HB   GLU   2          2HB       GLU   2 -24.123  -2.163  -2.163
    9   2HB   GLU   2          1HB       GLU   2 -25.767  -1.568  -1.568
   10   1HG   GLU   2          2HG       GLU   2 -26.449  -4.099  -4.099
   11   2HG   GLU   2          1HG       GLU   2 -24.757  -4.370  -4.370
   12   1HN   CGU   3           HN       GLA   3 -25.211  -5.156  -5.156
   13    HA   CGU   3           HA       GLA   3 -22.511  -5.800  -5.800
   14   1HB   CGU   3          1HB       GLA   3 -23.725  -7.301  -7.301
   15   2HB   CGU   3          2HB       GLA   3 -23.430  -8.198  -8.198
   16    HG   CGU   3           HG       GLA   3 -25.955  -6.686  -6.686
   17   1HN   CGU   4           HN       GLA   4 -25.437  -5.930  -5.930
   18    HA   CGU   4           HA       GLA   4 -24.350  -7.171  -7.171
   19   1HB   CGU   4          1HB       GLA   4 -26.545  -5.364  -5.364
   20   2HB   CGU   4          2HB       GLA   4 -26.841  -6.089  -6.089
   21    HG   CGU   4           HG       GLA   4 -26.275  -8.321  -8.321
   22    H    TYR   5           H        TYR   5 -24.327  -3.911  -3.911
   23    HA   TYR   5           HA       TYR   5 -23.288  -2.839  -2.839
   24   1HB   TYR   5          2HB       TYR   5 -24.991  -1.747  -1.747
   25   2HB   TYR   5          1HB       TYR   5 -23.462  -0.966  -0.966
   26    HD1  TYR   5           HD1      TYR   5 -22.240   0.237   0.237
   27    HD2  TYR   5           HD2      TYR   5 -26.248  -1.151  -1.151
   28    HE1  TYR   5           HE1      TYR   5 -22.555   1.709   1.709
   29    HE2  TYR   5           HE2      TYR   5 -26.559   0.326   0.326
   30    HH   TYR   5           HH       TYR   5 -25.679   1.931   1.931
   31    H    GLN   6           H        GLN   6 -21.991  -4.244  -4.244
   32    HA   GLN   6           HA       GLN   6 -19.690  -2.531  -2.531
   33   1HB   GLN   6          2HB       GLN   6 -20.743  -4.962  -4.962
   34   2HB   GLN   6          1HB       GLN   6 -19.089  -5.285  -5.285
   35   1HG   GLN   6          2HG       GLN   6 -19.370  -2.649  -2.649
   36   2HG   GLN   6          1HG       GLN   6 -19.988  -3.958  -3.958
   37   1HE2  GLN   6          2HE2      GLN   6 -16.722  -5.636  -5.636
   38   2HE2  GLN   6          1HE2      GLN   6 -18.340  -6.045  -6.045
   39    H    LYS   7           H        LYS   7 -19.994  -5.722  -5.722
   40    HA   LYS   7           HA       LYS   7 -17.559  -6.204  -6.204
   41   1HB   LYS   7          2HB       LYS   7 -20.358  -6.809  -6.809
   42   2HB   LYS   7          1HB       LYS   7 -19.148  -7.067  -7.067
   43   1HG   LYS   7          2HG       LYS   7 -17.960  -8.301  -8.301
   44   2HG   LYS   7          1HG       LYS   7 -19.661  -8.544  -8.544
   45   1HD   LYS   7          2HD       LYS   7 -19.045 -10.442 -10.442
   46   2HD   LYS   7          1HD       LYS   7 -19.882  -9.400  -9.400
   47   1HE   LYS   7          2HE       LYS   7 -17.874 -10.121 -10.121
   48   2HE   LYS   7          1HE       LYS   7 -17.541  -8.468  -8.468
   49   1HZ   LYS   7          1HZ       LYS   7 -16.869 -10.555 -10.555
   50   2HZ   LYS   7          3HZ       LYS   7 -15.914 -10.459 -10.459
   51   3HZ   LYS   7          2HZ       LYS   7 -16.056  -9.111  -9.111
   52    H    MET   8           H        MET   8 -19.861  -3.988  -3.988
   53    HA   MET   8           HA       MET   8 -18.087  -3.419  -3.419
   54   1HB   MET   8          2HB       MET   8 -19.965  -1.599  -1.599
   55   2HB   MET   8          1HB       MET   8 -20.347  -3.276  -3.276
   56   1HG   MET   8          2HG       MET   8 -20.947  -2.473  -2.473
   57   2HG   MET   8          1HG       MET   8 -21.700  -1.405  -1.405
   58   1HE   MET   8          1HE       MET   8 -20.743  -5.054  -5.054
   59   2HE   MET   8          3HE       MET   8 -21.368  -4.805  -4.805
   60   3HE   MET   8          2HE       MET   8 -22.193  -5.877  -5.877
   61    H    LEU   9           H        LEU   9 -19.175  -1.963  -1.963
   62    HA   LEU   9           HA       LEU   9 -18.265   0.557   0.557
   63   1HB   LEU   9          2HB       LEU   9 -19.165  -0.771  -0.771
   64   2HB   LEU   9          1HB       LEU   9 -17.661  -0.009  -0.009
   65    HG   LEU   9           HG       LEU   9 -20.038   1.336   1.336
   66   1HD1  LEU   9          2HD1      LEU   9 -20.218   0.915   0.915
   67   2HD1  LEU   9          1HD1      LEU   9 -18.684   1.742   1.742
   68   3HD1  LEU   9          3HD1      LEU   9 -20.081   2.638   2.638
   69   1HD2  LEU   9          3HD2      LEU   9 -17.176   2.304   2.304
   70   2HD2  LEU   9          2HD2      LEU   9 -18.222   2.586   2.586
   71   3HD2  LEU   9          1HD2      LEU   9 -18.477   3.473   3.473
   72   1HN   CGU  10           HN       GLA  10 -16.521  -2.144  -2.144
   73    HA   CGU  10           HA       GLA  10 -14.051  -0.869  -0.869
   74   1HB   CGU  10          1HB       GLA  10 -13.209  -3.346  -3.346
   75   2HB   CGU  10          2HB       GLA  10 -14.908  -3.720  -3.720
   76    HG   CGU  10           HG       GLA  10 -14.017  -2.117  -2.117
   77    H    ASN  11           H        ASN  11 -15.395  -2.286  -2.286
   78    HA   ASN  11           HA       ASN  11 -12.973  -1.656  -1.656
   79   1HB   ASN  11          2HB       ASN  11 -14.595  -3.843  -3.843
   80   2HB   ASN  11          1HB       ASN  11 -15.397  -2.853  -2.853
   81   1HD2  ASN  11          2HD2      ASN  11 -12.860  -3.242  -3.242
   82   2HD2  ASN  11          1HD2      ASN  11 -14.375  -2.581  -2.581
   83    H    LEU  12           H        LEU  12 -15.481   0.156   0.156
   84    HA   LEU  12           HA       LEU  12 -16.171   1.393   1.393
   85   1HB   LEU  12          2HB       LEU  12 -17.177   1.527   1.527
   86   2HB   LEU  12          1HB       LEU  12 -17.199   3.078   3.078
   87    HG   LEU  12           HG       LEU  12 -18.428   0.568   0.568
   88   1HD1  LEU  12          2HD1      LEU  12 -19.722   2.733   2.733
   89   2HD1  LEU  12          1HD1      LEU  12 -20.639   1.706   1.706
   90   3HD1  LEU  12          3HD1      LEU  12 -19.770   0.996   0.996
   91   1HD2  LEU  12          3HD2      LEU  12 -18.469   3.531   3.531
   92   2HD2  LEU  12          2HD2      LEU  12 -18.001   2.183   2.183
   93   3HD2  LEU  12          1HD2      LEU  12 -19.686   2.423   2.423
   94    H    ARG  13           H        ARG  13 -14.574   2.318   2.318
   95    HA   ARG  13           HA       ARG  13 -13.577   4.869   4.869
   96   1HB   ARG  13          2HB       ARG  13 -13.980   4.202   4.202
   97   2HB   ARG  13          1HB       ARG  13 -12.535   3.217   3.217
   98   1HG   ARG  13          2HG       ARG  13 -11.244   5.289   5.289
   99   2HG   ARG  13          1HG       ARG  13 -12.685   6.240   6.240
  100   1HD   ARG  13          2HD       ARG  13 -11.140   4.606   4.606
  101   2HD   ARG  13          1HD       ARG  13 -11.256   6.351   6.351
  102    HE   ARG  13           HE       ARG  13 -13.452   6.282   6.282
  103   1HH1  ARG  13          2HH1      ARG  13 -12.207   3.087   3.087
  104   2HH1  ARG  13          1HH1      ARG  13 -13.449   2.328   2.328
  105   1HH2  ARG  13          1HH2      ARG  13 -15.025   5.341   5.341
  106   2HH2  ARG  13          2HH2      ARG  13 -15.069   3.622   3.622
  107   1HN   CGU  14           HN       GLA  14 -12.333   1.655   1.655
  108    HA   CGU  14           HA       GLA  14  -9.717   2.170   2.170
  109   1HB   CGU  14          1HB       GLA  14  -9.826  -0.498  -0.498
  110   2HB   CGU  14          2HB       GLA  14 -11.280  -0.281  -0.281
  111    HG   CGU  14           HG       GLA  14  -9.701   1.302   1.302
  112    H    ALA  15           H        ALA  15 -12.828   1.511   1.511
  113    HA   ALA  15           HA       ALA  15 -12.128   0.160   0.160
  114   1HB   ALA  15          3HB       ALA  15 -14.409   1.745   1.745
  115   2HB   ALA  15          2HB       ALA  15 -13.983   2.225   2.225
  116   3HB   ALA  15          1HB       ALA  15 -14.331   0.546   0.546
  117    H    GLU  16           H        GLU  16 -11.705   3.477   3.477
  118    HA   GLU  16           HA       GLU  16 -10.969   4.554   4.554
  119   1HB   GLU  16          2HB       GLU  16 -11.566   6.020   6.020
  120   2HB   GLU  16          1HB       GLU  16 -10.251   5.395   5.395
  121   1HG   GLU  16          2HG       GLU  16  -9.680   7.636   7.636
  122   2HG   GLU  16          1HG       GLU  16  -8.579   6.377   6.377
  123    H    VAL  17           H        VAL  17  -8.840   3.767   3.767
  124    HA   VAL  17           HA       VAL  17  -6.437   3.870   3.870
  125    HB   VAL  17           HB       VAL  17  -7.100   2.322   2.322
  126   1HG1  VAL  17          3HG1      VAL  17  -4.452   3.061   3.061
  127   2HG1  VAL  17          2HG1      VAL  17  -4.562   2.815   2.815
  128   3HG1  VAL  17          1HG1      VAL  17  -4.959   1.507   1.507
  129   1HG2  VAL  17          2HG2      VAL  17  -6.053   5.159   5.159
  130   2HG2  VAL  17          1HG2      VAL  17  -7.638   4.729   4.729
  131   3HG2  VAL  17          3HG2      VAL  17  -6.205   4.376   4.376
  132    H    LYS  18           H        LYS  18  -8.762   1.369   1.369
  133    HA   LYS  18           HA       LYS  18  -7.147  -0.900  -0.900
  134   1HB   LYS  18          2HB       LYS  18 -10.078  -0.232  -0.232
  135   2HB   LYS  18          1HB       LYS  18  -9.552  -1.652  -1.652
  136   1HG   LYS  18          2HG       LYS  18  -8.285  -1.765  -1.765
  137   2HG   LYS  18          1HG       LYS  18  -9.932  -1.263  -1.263
  138   1HD   LYS  18          2HD       LYS  18 -10.832  -3.264  -3.264
  139   2HD   LYS  18          1HD       LYS  18  -9.732  -3.519  -3.519
  140   1HE   LYS  18          2HE       LYS  18  -8.191  -4.649  -4.649
  141   2HE   LYS  18          1HE       LYS  18  -8.490  -3.689  -3.689
  142   1HZ   LYS  18          1HZ       LYS  18 -10.684  -5.367  -5.367
  143   2HZ   LYS  18          3HZ       LYS  18  -9.308  -6.176  -6.176
  144   3HZ   LYS  18          2HZ       LYS  18 -10.101  -5.044  -5.044
  145    H    LYS  19           H        LYS  19  -8.751   1.481   1.481
  146    HA   LYS  19           HA       LYS  19  -8.334   0.083   0.083
  147   1HB   LYS  19          2HB       LYS  19  -8.835   2.176   2.176
  148   2HB   LYS  19          1HB       LYS  19  -9.870   2.063   2.063
  149   1HG   LYS  19          2HG       LYS  19  -9.146   4.095   4.095
  150   2HG   LYS  19          1HG       LYS  19  -7.563   3.417   3.417
  151   1HD   LYS  19          2HD       LYS  19  -7.002   5.094   5.094
  152   2HD   LYS  19          1HD       LYS  19  -7.231   3.784   3.784
  153   1HE   LYS  19          2HE       LYS  19  -9.508   5.672   5.672
  154   2HE   LYS  19          1HE       LYS  19  -8.397   6.031   6.031
  155   1HZ   LYS  19          2HZ       LYS  19 -10.009   3.557   3.557
  156   2HZ   LYS  19          1HZ       LYS  19 -10.423   4.918   4.918
  157   3HZ   LYS  19          3HZ       LYS  19  -9.022   4.030   4.030
  158    H    ASN  20           H        ASN  20  -6.249   1.962   1.962
  159    HA   ASN  20           HA       ASN  20  -4.176   2.469   2.469
  160   1HB   ASN  20          2HB       ASN  20  -4.493   3.735   3.735
  161   2HB   ASN  20          1HB       ASN  20  -3.865   2.314   2.314
  162   1HD2  ASN  20          2HD2      ASN  20  -0.519   2.767   2.767
  163   2HD2  ASN  20          1HD2      ASN  20  -1.632   1.586   1.586
  164    H    ALA  21           H        ALA  21  -4.901   0.010   0.010
  165    HA   ALA  21           HA       ALA  21  -2.469  -1.550  -1.550
  166   1HB   ALA  21          1HB       ALA  21  -3.588  -1.479  -1.479
  167   2HB   ALA  21          3HB       ALA  21  -4.995  -2.273  -2.273
  168   3HB   ALA  21          2HB       ALA  21  -3.457  -3.119  -3.119
  169   1HN   NH2  22          1HT       ALA  21  -5.411  -1.218  -1.218
  170   2HN   NH2  22          2HT       ALA  21  -5.388  -2.698  -2.698

  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1 -28.231  -2.978  -2.978
    2   2H    GLY   1          3H        GLY   1 -27.803  -3.926  -3.926
    3   3H    GLY   1          2H        GLY   1 -29.069  -2.804  -2.804
    4   1HA   GLY   1          1HA       GLY   1 -27.603  -0.996  -0.996
    5   2HA   GLY   1          2HA       GLY   1 -27.031  -2.061  -2.061
    6    H    GLU   2           H        GLU   2 -24.931  -1.213  -1.213
    7    HA   GLU   2           HA       GLU   2 -23.572  -1.784  -1.784
    8   1HB   GLU   2          2HB       GLU   2 -23.308   0.374   0.374
    9   2HB   GLU   2          1HB       GLU   2 -22.240  -0.595  -0.595
   10   1HG   GLU   2          2HG       GLU   2 -21.452  -1.129  -1.129
   11   2HG   GLU   2          1HG       GLU   2 -21.780   0.591   0.591
   12   1HN   CGU   3           HN       GLA   3 -24.433  -3.963  -3.963
   13    HA   CGU   3           HA       GLA   3 -21.907  -5.169  -5.169
   14   1HB   CGU   3          1HB       GLA   3 -23.359  -7.012  -7.012
   15   2HB   CGU   3          2HB       GLA   3 -24.741  -6.327  -6.327
   16    HG   CGU   3           HG       GLA   3 -23.187  -4.791  -4.791
   17   1HN   CGU   4           HN       GLA   4 -24.276  -5.337  -5.337
   18    HA   CGU   4           HA       GLA   4 -23.067  -7.567  -7.567
   19   1HB   CGU   4          1HB       GLA   4 -25.440  -7.707  -7.707
   20   2HB   CGU   4          2HB       GLA   4 -25.153  -7.234  -7.234
   21    HG   CGU   4           HG       GLA   4 -25.286  -4.783  -4.783
   22    H    TYR   5           H        TYR   5 -23.624  -4.143  -4.143
   23    HA   TYR   5           HA       TYR   5 -22.690  -3.826  -3.826
   24   1HB   TYR   5          2HB       TYR   5 -24.460  -2.384  -2.384
   25   2HB   TYR   5          1HB       TYR   5 -23.494  -1.871  -1.871
   26    HD1  TYR   5           HD1      TYR   5 -21.510  -0.357  -0.357
   27    HD2  TYR   5           HD2      TYR   5 -24.195  -1.342  -1.342
   28    HE1  TYR   5           HE1      TYR   5 -20.669   1.533   1.533
   29    HE2  TYR   5           HE2      TYR   5 -23.349   0.556   0.556
   30    HH   TYR   5           HH       TYR   5 -20.855   2.716   2.716
   31    H    GLN   6           H        GLN   6 -21.115  -3.941  -3.941
   32    HA   GLN   6           HA       GLN   6 -19.008  -2.121  -2.121
   33   1HB   GLN   6          2HB       GLN   6 -18.073  -3.255  -3.255
   34   2HB   GLN   6          1HB       GLN   6 -19.661  -3.964  -3.964
   35   1HG   GLN   6          2HG       GLN   6 -17.283  -5.295  -5.295
   36   2HG   GLN   6          1HG       GLN   6 -17.816  -5.636  -5.636
   37   1HE2  GLN   6          2HE2      GLN   6 -19.413  -8.287  -8.287
   38   2HE2  GLN   6          1HE2      GLN   6 -17.909  -7.872  -7.872
   39    H    LYS   7           H        LYS   7 -19.415  -5.221  -5.221
   40    HA   LYS   7           HA       LYS   7 -16.768  -5.526  -5.526
   41   1HB   LYS   7          2HB       LYS   7 -19.363  -6.874  -6.874
   42   2HB   LYS   7          1HB       LYS   7 -18.635  -6.748  -6.748
   43   1HG   LYS   7          2HG       LYS   7 -16.453  -7.594  -7.594
   44   2HG   LYS   7          1HG       LYS   7 -17.771  -8.327  -8.327
   45   1HD   LYS   7          2HD       LYS   7 -17.288  -9.980  -9.980
   46   2HD   LYS   7          1HD       LYS   7 -18.616  -9.133  -9.133
   47   1HE   LYS   7          2HE       LYS   7 -16.802  -7.687  -7.687
   48   2HE   LYS   7          1HE       LYS   7 -15.640  -8.868  -8.868
   49   1HZ   LYS   7          3HZ       LYS   7 -18.033  -9.651  -9.651
   50   2HZ   LYS   7          2HZ       LYS   7 -16.568  -9.227  -9.227
   51   3HZ   LYS   7          1HZ       LYS   7 -16.631 -10.559 -10.559
   52    H    MET   8           H        MET   8 -19.726  -4.178  -4.178
   53    HA   MET   8           HA       MET   8 -18.573  -3.377  -3.377
   54   1HB   MET   8          2HB       MET   8 -21.046  -3.730  -3.730
   55   2HB   MET   8          1HB       MET   8 -21.048  -2.238  -2.238
   56   1HG   MET   8          2HG       MET   8 -20.793  -0.916  -0.916
   57   2HG   MET   8          1HG       MET   8 -19.855  -2.093  -2.093
   58   1HE   MET   8          3HE       MET   8 -22.951  -0.227  -0.227
   59   2HE   MET   8          2HE       MET   8 -24.262  -1.257  -1.257
   60   3HE   MET   8          1HE       MET   8 -23.545  -1.547  -1.547
   61    H    LEU   9           H        LEU   9 -18.789  -1.928  -1.928
   62    HA   LEU   9           HA       LEU   9 -18.270   0.796   0.796
   63   1HB   LEU   9          2HB       LEU   9 -18.573   0.985   0.985
   64   2HB   LEU   9          1HB       LEU   9 -18.710  -0.726  -0.726
   65    HG   LEU   9           HG       LEU   9 -16.349  -0.928  -0.928
   66   1HD1  LEU   9          2HD1      LEU   9 -15.980   1.699   1.699
   67   2HD1  LEU   9          1HD1      LEU   9 -15.546   1.817   1.817
   68   3HD1  LEU   9          3HD1      LEU   9 -14.757   0.644   0.644
   69   1HD2  LEU   9          3HD2      LEU   9 -17.738   1.257   1.257
   70   2HD2  LEU   9          2HD2      LEU   9 -17.931  -0.475  -0.475
   71   3HD2  LEU   9          1HD2      LEU   9 -16.395   0.290   0.290
   72   1HN   CGU  10           HN       GLA  10 -16.360  -1.735  -1.735
   73    HA   CGU  10           HA       GLA  10 -13.755  -0.699  -0.699
   74   1HB   CGU  10          1HB       GLA  10 -13.196  -3.274  -3.274
   75   2HB   CGU  10          2HB       GLA  10 -14.917  -3.503  -3.503
   76    HG   CGU  10           HG       GLA  10 -14.574  -1.834  -1.834
   77    H    ASN  11           H        ASN  11 -15.846  -2.077  -2.077
   78    HA   ASN  11           HA       ASN  11 -13.749  -1.993  -1.993
   79   1HB   ASN  11          2HB       ASN  11 -15.334  -4.010  -4.010
   80   2HB   ASN  11          1HB       ASN  11 -16.657  -2.964  -2.964
   81   1HD2  ASN  11          2HD2      ASN  11 -14.100  -4.404  -4.404
   82   2HD2  ASN  11          1HD2      ASN  11 -13.733  -4.581  -4.581
   83    H    LEU  12           H        LEU  12 -16.017   0.119   0.119
   84    HA   LEU  12           HA       LEU  12 -16.599   1.422   1.422
   85   1HB   LEU  12          2HB       LEU  12 -18.540   1.563   1.563
   86   2HB   LEU  12          1HB       LEU  12 -17.595   1.401   1.401
   87    HG   LEU  12           HG       LEU  12 -16.939   3.617   3.617
   88   1HD1  LEU  12          1HD1      LEU  12 -18.087   3.748   3.748
   89   2HD1  LEU  12          3HD1      LEU  12 -18.271   5.192   5.192
   90   3HD1  LEU  12          2HD1      LEU  12 -16.673   4.568   4.568
   91   1HD2  LEU  12          3HD2      LEU  12 -19.917   3.359   3.359
   92   2HD2  LEU  12          2HD2      LEU  12 -19.099   3.109   3.109
   93   3HD2  LEU  12          1HD2      LEU  12 -19.188   4.717   4.717
   94    H    ARG  13           H        ARG  13 -15.429   2.297   2.297
   95    HA   ARG  13           HA       ARG  13 -13.571   4.302   4.302
   96   1HB   ARG  13          2HB       ARG  13 -13.408   4.977   4.977
   97   2HB   ARG  13          1HB       ARG  13 -14.979   5.158   5.158
   98   1HG   ARG  13          2HG       ARG  13 -15.748   3.062   3.062
   99   2HG   ARG  13          1HG       ARG  13 -14.166   2.810   2.810
  100   1HD   ARG  13          2HD       ARG  13 -15.568   3.851   3.851
  101   2HD   ARG  13          1HD       ARG  13 -14.511   5.116   5.116
  102    HE   ARG  13           HE       ARG  13 -16.362   6.192   6.192
  103   1HH1  ARG  13          2HH1      ARG  13 -17.193   2.936   2.936
  104   2HH1  ARG  13          1HH1      ARG  13 -18.877   3.168   3.168
  105   1HH2  ARG  13          1HH2      ARG  13 -18.494   6.492   6.492
  106   2HH2  ARG  13          2HH2      ARG  13 -19.623   5.200   5.200
  107   1HN   CGU  14           HN       GLA  14 -12.910   1.504   1.504
  108    HA   CGU  14           HA       GLA  14 -11.094   0.455   0.455
  109   1HB   CGU  14          1HB       GLA  14 -12.098  -0.606  -0.606
  110   2HB   CGU  14          2HB       GLA  14 -10.418  -0.968  -0.968
  111    HG   CGU  14           HG       GLA  14 -11.045  -0.490  -0.490
  112    H    ALA  15           H        ALA  15 -10.827   3.245   3.245
  113    HA   ALA  15           HA       ALA  15  -7.862   3.356   3.356
  114   1HB   ALA  15          1HB       ALA  15 -10.015   5.325   5.325
  115   2HB   ALA  15          3HB       ALA  15  -8.292   5.568   5.568
  116   3HB   ALA  15          2HB       ALA  15  -9.114   4.251   4.251
  117    H    GLU  16           H        GLU  16 -10.586   4.921   4.921
  118    HA   GLU  16           HA       GLU  16  -9.239   6.901   6.901
  119   1HB   GLU  16          2HB       GLU  16 -11.795   6.511   6.511
  120   2HB   GLU  16          1HB       GLU  16 -11.692   5.368   5.368
  121   1HG   GLU  16          2HG       GLU  16 -10.828   7.157   7.157
  122   2HG   GLU  16          1HG       GLU  16 -10.980   8.324   8.324
  123    H    VAL  17           H        VAL  17 -10.353   3.699   3.699
  124    HA   VAL  17           HA       VAL  17  -9.179   3.525   3.525
  125    HB   VAL  17           HB       VAL  17  -9.849   1.289   1.289
  126   1HG1  VAL  17          2HG1      VAL  17  -9.394   1.268   1.268
  127   2HG1  VAL  17          1HG1      VAL  17 -10.155  -0.054  -0.054
  128   3HG1  VAL  17          3HG1      VAL  17  -8.499   0.370   0.370
  129   1HG2  VAL  17          2HG2      VAL  17 -11.769   2.861   2.861
  130   2HG2  VAL  17          1HG2      VAL  17 -12.052   1.234   1.234
  131   3HG2  VAL  17          3HG2      VAL  17 -11.576   2.483   2.483
  132    H    LYS  18           H        LYS  18  -7.927   2.977   2.977
  133    HA   LYS  18           HA       LYS  18  -5.597   1.471   1.471
  134   1HB   LYS  18          2HB       LYS  18  -6.742   2.290   2.290
  135   2HB   LYS  18          1HB       LYS  18  -5.470   3.481   3.481
  136   1HG   LYS  18          2HG       LYS  18  -3.772   1.695   1.695
  137   2HG   LYS  18          1HG       LYS  18  -5.029   0.474   0.474
  138   1HD   LYS  18          2HD       LYS  18  -4.361   0.458   0.458
  139   2HD   LYS  18          1HD       LYS  18  -5.800   1.455   1.455
  140   1HE   LYS  18          2HE       LYS  18  -4.133   2.633   2.633
  141   2HE   LYS  18          1HE       LYS  18  -4.226   3.498   3.498
  142   1HZ   LYS  18          3HZ       LYS  18  -2.329   2.139   2.139
  143   2HZ   LYS  18          2HZ       LYS  18  -2.197   1.499   1.499
  144   3HZ   LYS  18          1HZ       LYS  18  -1.964   3.160   3.160
  145    H    LYS  19           H        LYS  19  -6.076   4.971   4.971
  146    HA   LYS  19           HA       LYS  19  -3.344   5.694   5.694
  147   1HB   LYS  19          2HB       LYS  19  -4.138   7.878   7.878
  148   2HB   LYS  19          1HB       LYS  19  -5.518   7.085   7.085
  149   1HG   LYS  19          2HG       LYS  19  -6.410   6.956   6.956
  150   2HG   LYS  19          1HG       LYS  19  -5.212   8.199   8.199
  151   1HD   LYS  19          2HD       LYS  19  -6.225   9.661   9.661
  152   2HD   LYS  19          1HD       LYS  19  -7.338   8.396   8.396
  153   1HE   LYS  19          2HE       LYS  19  -7.256   9.536   9.536
  154   2HE   LYS  19          1HE       LYS  19  -8.362  10.093  10.093
  155   1HZ   LYS  19          1HZ       LYS  19  -8.959   7.630   7.630
  156   2HZ   LYS  19          3HZ       LYS  19  -8.249   7.476   7.476
  157   3HZ   LYS  19          2HZ       LYS  19  -9.574   8.516   8.516
  158    H    ASN  20           H        ASN  20  -5.964   4.840   4.840
  159    HA   ASN  20           HA       ASN  20  -4.636   5.620   5.620
  160   1HB   ASN  20          2HB       ASN  20  -7.181   5.516   5.516
  161   2HB   ASN  20          1HB       ASN  20  -7.040   3.765   3.765
  162   1HD2  ASN  20          1HD2      ASN  20  -6.366   2.749   2.749
  163   2HD2  ASN  20          2HD2      ASN  20  -6.488   3.584   3.584
  164    H    ALA  21           H        ALA  21  -4.890   2.857   2.857
  165    HA   ALA  21           HA       ALA  21  -3.677   0.993   0.993
  166   1HB   ALA  21          2HB       ALA  21  -5.521   0.237   0.237
  167   2HB   ALA  21          1HB       ALA  21  -4.522   0.583   0.583
  168   3HB   ALA  21          3HB       ALA  21  -4.055  -0.687  -0.687
  169   1HN   NH2  22          1HT       ALA  21  -2.481   3.302   3.302
  170   2HN   NH2  22          2HT       ALA  21  -0.953   2.620   2.620

  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1 -27.818  -6.803  -6.803
    2   2H    GLY   1          3H        GLY   1 -29.385  -6.776  -6.776
    3   3H    GLY   1          2H        GLY   1 -28.237  -5.618  -5.618
    4   1HA   GLY   1          1HA       GLY   1 -29.758  -4.631  -4.631
    5   2HA   GLY   1          2HA       GLY   1 -29.384  -5.935  -5.935
    6    H    GLU   2           H        GLU   2 -29.081  -3.509  -3.509
    7    HA   GLU   2           HA       GLU   2 -26.568  -2.228  -2.228
    8   1HB   GLU   2          2HB       GLU   2 -28.615  -1.293  -1.293
    9   2HB   GLU   2          1HB       GLU   2 -28.069  -2.220  -2.220
   10   1HG   GLU   2          2HG       GLU   2 -25.783  -1.012  -1.012
   11   2HG   GLU   2          1HG       GLU   2 -26.601   0.046   0.046
   12   1HN   CGU   3           HN       GLA   3 -27.605  -4.647  -4.647
   13    HA   CGU   3           HA       GLA   3 -25.257  -4.950  -4.950
   14   1HB   CGU   3          1HB       GLA   3 -27.333  -5.947  -5.947
   15   2HB   CGU   3          2HB       GLA   3 -26.203  -7.250  -7.250
   16    HG   CGU   3           HG       GLA   3 -27.429  -6.861  -6.861
   17   1HN   CGU   4           HN       GLA   4 -26.109  -6.170  -6.170
   18    HA   CGU   4           HA       GLA   4 -23.844  -8.003  -8.003
   19   1HB   CGU   4          1HB       GLA   4 -24.630  -7.882  -7.882
   20   2HB   CGU   4          2HB       GLA   4 -25.960  -6.939  -6.939
   21    HG   CGU   4           HG       GLA   4 -25.881  -9.093  -9.093
   22    H    TYR   5           H        TYR   5 -24.773  -4.788  -4.788
   23    HA   TYR   5           HA       TYR   5 -22.468  -4.169  -4.169
   24   1HB   TYR   5          2HB       TYR   5 -24.864  -3.028  -3.028
   25   2HB   TYR   5          1HB       TYR   5 -24.151  -2.057  -2.057
   26    HD1  TYR   5           HD2      TYR   5 -23.399  -3.240  -3.240
   27    HD2  TYR   5           HD1      TYR   5 -22.969  -0.123  -0.123
   28    HE1  TYR   5           HE2      TYR   5 -22.312  -1.840  -1.840
   29    HE2  TYR   5           HE1      TYR   5 -21.879   1.278   1.278
   30    HH   TYR   5           HH       TYR   5 -21.162   1.431   1.431
   31    H    GLN   6           H        GLN   6 -22.771  -4.626  -4.626
   32    HA   GLN   6           HA       GLN   6 -21.088  -2.567  -2.567
   33   1HB   GLN   6          2HB       GLN   6 -22.625  -4.292  -4.292
   34   2HB   GLN   6          1HB       GLN   6 -21.297  -5.424  -5.424
   35   1HG   GLN   6          2HG       GLN   6 -19.807  -3.642  -3.642
   36   2HG   GLN   6          1HG       GLN   6 -21.292  -2.772  -2.772
   37   1HE2  GLN   6          2HE2      GLN   6 -20.345  -6.153  -6.153
   38   2HE2  GLN   6          1HE2      GLN   6 -19.422  -5.671  -5.671
   39    H    LYS   7           H        LYS   7 -20.549  -5.565  -5.565
   40    HA   LYS   7           HA       LYS   7 -17.727  -5.858  -5.858
   41   1HB   LYS   7          2HB       LYS   7 -19.275  -7.705  -7.705
   42   2HB   LYS   7          1HB       LYS   7 -19.350  -6.884  -6.884
   43   1HG   LYS   7          2HG       LYS   7 -16.847  -7.082  -7.082
   44   2HG   LYS   7          1HG       LYS   7 -16.836  -7.974  -7.974
   45   1HD   LYS   7          2HD       LYS   7 -18.113  -9.791  -9.791
   46   2HD   LYS   7          1HD       LYS   7 -18.455  -8.868  -8.868
   47   1HE   LYS   7          2HE       LYS   7 -16.614 -10.522 -10.522
   48   2HE   LYS   7          1HE       LYS   7 -16.055  -8.874  -8.874
   49   1HZ   LYS   7          1HZ       LYS   7 -15.781 -10.297 -10.297
   50   2HZ   LYS   7          3HZ       LYS   7 -14.590 -10.335 -10.335
   51   3HZ   LYS   7          2HZ       LYS   7 -15.019  -8.860  -8.860
   52    H    MET   8           H        MET   8 -19.691  -4.474  -4.474
   53    HA   MET   8           HA       MET   8 -17.581  -3.558  -3.558
   54   1HB   MET   8          2HB       MET   8 -20.514  -3.284  -3.284
   55   2HB   MET   8          1HB       MET   8 -19.783  -1.782  -1.782
   56   1HG   MET   8          2HG       MET   8 -19.337  -4.502  -4.502
   57   2HG   MET   8          1HG       MET   8 -20.340  -3.244  -3.244
   58   1HE   MET   8          2HE       MET   8 -19.706  -1.505  -1.505
   59   2HE   MET   8          1HE       MET   8 -18.935  -0.606  -0.606
   60   3HE   MET   8          3HE       MET   8 -18.100  -0.836  -0.836
   61    H    LEU   9           H        LEU   9 -19.130  -2.246  -2.246
   62    HA   LEU   9           HA       LEU   9 -18.170   0.423   0.423
   63   1HB   LEU   9          2HB       LEU   9 -19.469  -1.364  -1.364
   64   2HB   LEU   9          1HB       LEU   9 -18.531  -0.123  -0.123
   65    HG   LEU   9           HG       LEU   9 -21.112   0.115   0.115
   66   1HD1  LEU   9          1HD1      LEU   9 -18.997   2.320   2.320
   67   2HD1  LEU   9          3HD1      LEU   9 -20.719   2.657   2.657
   68   3HD1  LEU   9          2HD1      LEU   9 -19.959   1.775   1.775
   69   1HD2  LEU   9          1HD2      LEU   9 -20.468  -0.018  -0.018
   70   2HD2  LEU   9          3HD2      LEU   9 -21.531   1.290   1.290
   71   3HD2  LEU   9          2HD2      LEU   9 -19.838   1.612   1.612
   72   1HN   CGU  10           HN       GLA  10 -16.633  -2.500  -2.500
   73    HA   CGU  10           HA       GLA  10 -14.465  -1.199  -1.199
   74   1HB   CGU  10          1HB       GLA  10 -15.422  -3.787  -3.787
   75   2HB   CGU  10          2HB       GLA  10 -13.870  -3.375  -3.375
   76    HG   CGU  10           HG       GLA  10 -14.242  -4.082  -4.082
   77    H    ASN  11           H        ASN  11 -15.187  -2.288  -2.288
   78    HA   ASN  11           HA       ASN  11 -12.612  -1.373  -1.373
   79   1HB   ASN  11          2HB       ASN  11 -14.235  -3.572  -3.572
   80   2HB   ASN  11          1HB       ASN  11 -14.690  -2.493  -2.493
   81   1HD2  ASN  11          2HD2      ASN  11 -11.682  -2.976  -2.976
   82   2HD2  ASN  11          1HD2      ASN  11 -13.227  -2.273  -2.273
   83    H    LEU  12           H        LEU  12 -15.199   0.251   0.251
   84    HA   LEU  12           HA       LEU  12 -16.110   1.604   1.604
   85   1HB   LEU  12          2HB       LEU  12 -17.540   2.575   2.575
   86   2HB   LEU  12          1HB       LEU  12 -16.765   1.598   1.598
   87    HG   LEU  12           HG       LEU  12 -15.111   3.576   3.576
   88   1HD1  LEU  12          3HD1      LEU  12 -16.297   4.687   4.687
   89   2HD1  LEU  12          2HD1      LEU  12 -17.293   5.389   5.389
   90   3HD1  LEU  12          1HD1      LEU  12 -15.558   5.640   5.640
   91   1HD2  LEU  12          2HD2      LEU  12 -18.050   3.808   3.808
   92   2HD2  LEU  12          1HD2      LEU  12 -16.815   2.960   2.960
   93   3HD2  LEU  12          3HD2      LEU  12 -16.753   4.707   4.707
   94    H    ARG  13           H        ARG  13 -13.610   2.264   2.264
   95    HA   ARG  13           HA       ARG  13 -12.682   4.753   4.753
   96   1HB   ARG  13          2HB       ARG  13 -11.962   3.030   3.030
   97   2HB   ARG  13          1HB       ARG  13 -10.572   2.895   2.895
   98   1HG   ARG  13          2HG       ARG  13  -9.997   5.161   5.161
   99   2HG   ARG  13          1HG       ARG  13 -11.623   5.663   5.663
  100   1HD   ARG  13          2HD       ARG  13 -10.156   3.820   3.820
  101   2HD   ARG  13          1HD       ARG  13  -9.741   5.520   5.520
  102    HE   ARG  13           HE       ARG  13 -11.943   6.101   6.101
  103   1HH1  ARG  13          1HH2      ARG  13 -11.493   2.656   2.656
  104   2HH1  ARG  13          2HH2      ARG  13 -12.902   2.309   2.309
  105   1HH2  ARG  13          2HH1      ARG  13 -13.712   5.651   5.651
  106   2HH2  ARG  13          1HH1      ARG  13 -14.169   4.010   4.010
  107   1HN   CGU  14           HN       GLA  14 -11.927   1.441   1.441
  108    HA   CGU  14           HA       GLA  14  -9.939   1.879   1.879
  109   1HB   CGU  14          1HB       GLA  14 -11.448  -0.600  -0.600
  110   2HB   CGU  14          2HB       GLA  14 -11.226  -0.331  -0.331
  111    HG   CGU  14           HG       GLA  14  -8.856   0.000   0.000
  112    H    ALA  15           H        ALA  15 -13.420   1.859   1.859
  113    HA   ALA  15           HA       ALA  15 -13.794   1.472   1.472
  114   1HB   ALA  15          3HB       ALA  15 -15.558   1.546   1.546
  115   2HB   ALA  15          2HB       ALA  15 -15.571   3.281   3.281
  116   3HB   ALA  15          1HB       ALA  15 -16.026   2.196   2.196
  117    H    GLU  16           H        GLU  16 -13.070   4.302   4.302
  118    HA   GLU  16           HA       GLU  16 -13.368   6.240   6.240
  119   1HB   GLU  16          2HB       GLU  16 -11.957   6.279   6.279
  120   2HB   GLU  16          1HB       GLU  16 -11.799   7.620   7.620
  121   1HG   GLU  16          2HG       GLU  16 -13.638   8.249   8.249
  122   2HG   GLU  16          1HG       GLU  16 -14.391   7.653   7.653
  123    H    VAL  17           H        VAL  17 -10.707   4.322   4.322
  124    HA   VAL  17           HA       VAL  17  -8.606   5.494   5.494
  125    HB   VAL  17           HB       VAL  17  -8.920   2.576   2.576
  126   1HG1  VAL  17          3HG1      VAL  17  -6.474   4.170   4.170
  127   2HG1  VAL  17          2HG1      VAL  17  -6.358   2.675   2.675
  128   3HG1  VAL  17          1HG1      VAL  17  -7.068   2.665   2.665
  129   1HG2  VAL  17          2HG2      VAL  17  -9.133   4.234   4.234
  130   2HG2  VAL  17          1HG2      VAL  17  -7.684   3.262   3.262
  131   3HG2  VAL  17          3HG2      VAL  17  -7.577   4.911   4.911
  132    H    LYS  18           H        LYS  18 -10.927   3.052   3.052
  133    HA   LYS  18           HA       LYS  18  -9.732   2.160   2.160
  134   1HB   LYS  18          2HB       LYS  18 -11.694   1.106   1.106
  135   2HB   LYS  18          1HB       LYS  18 -12.723   2.346   2.346
  136   1HG   LYS  18          2HG       LYS  18 -12.026   1.601   1.601
  137   2HG   LYS  18          1HG       LYS  18 -11.037   0.351   0.351
  138   1HD   LYS  18          2HD       LYS  18 -13.010  -0.821  -0.821
  139   2HD   LYS  18          1HD       LYS  18 -13.254  -0.411  -0.411
  140   1HE   LYS  18          2HE       LYS  18 -14.621   1.566   1.566
  141   2HE   LYS  18          1HE       LYS  18 -14.352   1.168   1.168
  142   1HZ   LYS  18          1HZ       LYS  18 -15.370  -1.032  -1.032
  143   2HZ   LYS  18          3HZ       LYS  18 -15.821  -0.412  -0.412
  144   3HZ   LYS  18          2HZ       LYS  18 -16.426   0.295   0.295
  145    H    LYS  19           H        LYS  19 -12.407   4.466   4.466
  146    HA   LYS  19           HA       LYS  19 -12.388   5.383   5.383
  147   1HB   LYS  19          2HB       LYS  19 -13.806   7.264   7.264
  148   2HB   LYS  19          1HB       LYS  19 -14.364   5.683   5.683
  149   1HG   LYS  19          2HG       LYS  19 -13.303   5.962   5.962
  150   2HG   LYS  19          1HG       LYS  19 -12.620   7.501   7.501
  151   1HD   LYS  19          2HD       LYS  19 -14.515   8.193   8.193
  152   2HD   LYS  19          1HD       LYS  19 -15.108   8.201   8.201
  153   1HE   LYS  19          2HE       LYS  19 -16.047   5.888   5.888
  154   2HE   LYS  19          1HE       LYS  19 -15.500   5.964   5.964
  155   1HZ   LYS  19          3HZ       LYS  19 -17.315   7.955   7.955
  156   2HZ   LYS  19          2HZ       LYS  19 -17.850   6.591   6.591
  157   3HZ   LYS  19          1HZ       LYS  19 -16.923   7.779   7.779
  158    H    ASN  20           H        ASN  20 -10.514   6.264   6.264
  159    HA   ASN  20           HA       ASN  20  -9.604   8.845   8.845
  160   1HB   ASN  20          2HB       ASN  20  -9.477   8.136   8.136
  161   2HB   ASN  20          1HB       ASN  20  -8.292   6.910   6.910
  162   1HD2  ASN  20          2HD2      ASN  20  -5.630   9.238   9.238
  163   2HD2  ASN  20          1HD2      ASN  20  -6.163   7.671   7.671
  164    H    ALA  21           H        ALA  21  -8.540   5.544   5.544
  165    HA   ALA  21           HA       ALA  21  -6.078   6.181   6.181
  166   1HB   ALA  21          1HB       ALA  21  -6.194   4.220   4.220
  167   2HB   ALA  21          3HB       ALA  21  -7.471   3.522   3.522
  168   3HB   ALA  21          2HB       ALA  21  -5.852   3.707   3.707
  169   1HN   NH2  22          1HT       ALA  21  -9.403   5.710   5.710
  170   2HN   NH2  22          2HT       ALA  21  -9.192   5.526   5.526

  Start of MODEL   11
    1   1H    GLY   1          3H        GLY   1 -27.496  -6.423  -6.423
    2   2H    GLY   1          2H        GLY   1 -28.268  -5.448  -5.448
    3   3H    GLY   1          1H        GLY   1 -28.906  -6.977  -6.977
    4   1HA   GLY   1          1HA       GLY   1 -26.992  -8.053  -8.053
    5   2HA   GLY   1          2HA       GLY   1 -27.780  -6.956  -6.956
    6    H    GLU   2           H        GLU   2 -25.802  -6.104  -6.104
    7    HA   GLU   2           HA       GLU   2 -24.260  -4.201  -4.201
    8   1HB   GLU   2          2HB       GLU   2 -24.604  -4.745  -4.745
    9   2HB   GLU   2          1HB       GLU   2 -23.147  -5.693  -5.693
   10   1HG   GLU   2          2HG       GLU   2 -22.427  -3.506  -3.506
   11   2HG   GLU   2          1HG       GLU   2 -22.047  -3.574  -3.574
   12   1HN   CGU   3           HN       GLA   3 -23.827  -7.615  -7.615
   13    HA   CGU   3           HA       GLA   3 -20.978  -7.599  -7.599
   14   1HB   CGU   3          1HB       GLA   3 -21.209  -9.937  -9.937
   15   2HB   CGU   3          2HB       GLA   3 -22.904  -9.789  -9.789
   16    HG   CGU   3           HG       GLA   3 -23.399  -9.159  -9.159
   17   1HN   CGU   4           HN       GLA   4 -23.945  -7.796  -7.796
   18    HA   CGU   4           HA       GLA   4 -22.673  -7.958  -7.958
   19   1HB   CGU   4          1HB       GLA   4 -24.914  -7.615  -7.615
   20   2HB   CGU   4          2HB       GLA   4 -25.446  -6.902  -6.902
   21    HG   CGU   4           HG       GLA   4 -26.048  -9.312  -9.312
   22    H    TYR   5           H        TYR   5 -23.646  -5.390  -5.390
   23    HA   TYR   5           HA       TYR   5 -23.419  -3.240  -3.240
   24   1HB   TYR   5          2HB       TYR   5 -24.867  -3.033  -3.033
   25   2HB   TYR   5          1HB       TYR   5 -23.485  -3.221  -3.221
   26    HD1  TYR   5           HD2      TYR   5 -24.765  -1.043  -1.043
   27    HD2  TYR   5           HD1      TYR   5 -22.280  -1.296  -1.296
   28    HE1  TYR   5           HE2      TYR   5 -24.356   1.370   1.370
   29    HE2  TYR   5           HE1      TYR   5 -21.882   1.113   1.113
   30    HH   TYR   5           HH       TYR   5 -22.349   3.018   3.018
   31    H    GLN   6           H        GLN   6 -21.429  -4.132  -4.132
   32    HA   GLN   6           HA       GLN   6 -19.333  -2.303  -2.303
   33   1HB   GLN   6          2HB       GLN   6 -18.189  -3.451  -3.451
   34   2HB   GLN   6          1HB       GLN   6 -19.879  -3.744  -3.744
   35   1HG   GLN   6          2HG       GLN   6 -19.779  -5.987  -5.987
   36   2HG   GLN   6          1HG       GLN   6 -18.123  -5.762  -5.762
   37   1HE2  GLN   6          2HE2      GLN   6 -16.789  -5.919  -5.919
   38   2HE2  GLN   6          1HE2      GLN   6 -16.579  -5.049  -5.049
   39    H    LYS   7           H        LYS   7 -20.048  -5.297  -5.297
   40    HA   LYS   7           HA       LYS   7 -17.498  -6.020  -6.020
   41   1HB   LYS   7          2HB       LYS   7 -19.267  -7.624  -7.624
   42   2HB   LYS   7          1HB       LYS   7 -20.366  -6.504  -6.504
   43   1HG   LYS   7          2HG       LYS   7 -19.096  -6.607  -6.607
   44   2HG   LYS   7          1HG       LYS   7 -17.840  -7.559  -7.559
   45   1HD   LYS   7          2HD       LYS   7 -19.156  -9.155  -9.155
   46   2HD   LYS   7          1HD       LYS   7 -19.681  -9.314  -9.314
   47   1HE   LYS   7          2HE       LYS   7 -21.344  -7.280  -7.280
   48   2HE   LYS   7          1HE       LYS   7 -21.247  -8.615  -8.615
   49   1HZ   LYS   7          2HZ       LYS   7 -21.725  -9.235  -9.235
   50   2HZ   LYS   7          1HZ       LYS   7 -22.999  -8.583  -8.583
   51   3HZ   LYS   7          3HZ       LYS   7 -22.260 -10.031 -10.031
   52    H    MET   8           H        MET   8 -20.140  -4.334  -4.334
   53    HA   MET   8           HA       MET   8 -18.566  -3.529  -3.529
   54   1HB   MET   8          2HB       MET   8 -21.025  -3.606  -3.606
   55   2HB   MET   8          1HB       MET   8 -21.169  -2.415  -2.415
   56   1HG   MET   8          2HG       MET   8 -19.535  -1.532  -1.532
   57   2HG   MET   8          1HG       MET   8 -21.182  -1.881  -1.881
   58   1HE   MET   8          1HE       MET   8 -23.006  -0.773  -0.773
   59   2HE   MET   8          3HE       MET   8 -23.342  -0.056  -0.056
   60   3HE   MET   8          2HE       MET   8 -23.039   0.963   0.963
   61    H    LEU   9           H        LEU   9 -19.393  -1.856  -1.856
   62    HA   LEU   9           HA       LEU   9 -18.229   0.645   0.645
   63   1HB   LEU   9          2HB       LEU   9 -19.019  -0.900  -0.900
   64   2HB   LEU   9          1HB       LEU   9 -17.941   0.443   0.443
   65    HG   LEU   9           HG       LEU   9 -20.512   0.792   0.792
   66   1HD1  LEU   9          3HD1      LEU   9 -18.494   2.585   2.585
   67   2HD1  LEU   9          2HD1      LEU   9 -20.107   3.168   3.168
   68   3HD1  LEU   9          1HD1      LEU   9 -19.011   2.698   2.698
   69   1HD2  LEU   9          3HD2      LEU   9 -20.910  -0.240  -0.240
   70   2HD2  LEU   9          2HD2      LEU   9 -21.669   1.315   1.315
   71   3HD2  LEU   9          1HD2      LEU   9 -20.217   1.215   1.215
   72   1HN   CGU  10           HN       GLA  10 -16.803  -2.244  -2.244
   73    HA   CGU  10           HA       GLA  10 -14.270  -1.189  -1.189
   74   1HB   CGU  10          1HB       GLA  10 -13.751  -3.812  -3.812
   75   2HB   CGU  10          2HB       GLA  10 -15.444  -3.874  -3.874
   76    HG   CGU  10           HG       GLA  10 -14.426  -2.512  -2.512
   77    H    ASN  11           H        ASN  11 -15.606  -2.293  -2.293
   78    HA   ASN  11           HA       ASN  11 -13.116  -1.737  -1.737
   79   1HB   ASN  11          2HB       ASN  11 -15.069  -3.750  -3.750
   80   2HB   ASN  11          1HB       ASN  11 -15.489  -2.712  -2.712
   81   1HD2  ASN  11          2HD2      ASN  11 -12.436  -5.205  -5.205
   82   2HD2  ASN  11          1HD2      ASN  11 -13.663  -5.357  -5.357
   83    H    LEU  12           H        LEU  12 -15.831   0.128   0.128
   84    HA   LEU  12           HA       LEU  12 -16.000   1.433   1.433
   85   1HB   LEU  12          2HB       LEU  12 -18.065   1.743   1.743
   86   2HB   LEU  12          1HB       LEU  12 -17.479   1.326   1.326
   87    HG   LEU  12           HG       LEU  12 -16.742   3.586   3.586
   88   1HD1  LEU  12          2HD1      LEU  12 -17.229   3.925   3.925
   89   2HD1  LEU  12          1HD1      LEU  12 -18.035   5.177   5.177
   90   3HD1  LEU  12          3HD1      LEU  12 -16.308   4.956   4.956
   91   1HD2  LEU  12          3HD2      LEU  12 -19.631   3.408   3.408
   92   2HD2  LEU  12          2HD2      LEU  12 -19.034   2.978   2.978
   93   3HD2  LEU  12          1HD2      LEU  12 -19.013   4.652   4.652
   94    H    ARG  13           H        ARG  13 -14.937   2.457   2.457
   95    HA   ARG  13           HA       ARG  13 -13.730   4.897   4.897
   96   1HB   ARG  13          2HB       ARG  13 -14.347   4.673   4.673
   97   2HB   ARG  13          1HB       ARG  13 -13.304   3.283   3.283
   98   1HG   ARG  13          2HG       ARG  13 -12.278   5.346   5.346
   99   2HG   ARG  13          1HG       ARG  13 -11.287   4.662   4.662
  100   1HD   ARG  13          2HD       ARG  13 -11.583   7.212   7.212
  101   2HD   ARG  13          1HD       ARG  13 -11.901   6.383   6.383
  102    HE   ARG  13           HE       ARG  13 -14.244   6.827   6.827
  103   1HH1  ARG  13          2HH1      ARG  13 -12.316   7.948   7.948
  104   2HH1  ARG  13          1HH1      ARG  13 -13.595   8.930   8.930
  105   1HH2  ARG  13          1HH2      ARG  13 -15.839   8.054   8.054
  106   2HH2  ARG  13          2HH2      ARG  13 -15.640   8.999   8.999
  107   1HN   CGU  14           HN       GLA  14 -12.532   1.620   1.620
  108    HA   CGU  14           HA       GLA  14  -9.794   2.297   2.297
  109   1HB   CGU  14          1HB       GLA  14 -10.302  -0.551  -0.551
  110   2HB   CGU  14          2HB       GLA  14 -11.250   0.086   0.086
  111    HG   CGU  14           HG       GLA  14  -9.321   1.156   1.156
  112    H    ALA  15           H        ALA  15 -12.547   1.491   1.491
  113    HA   ALA  15           HA       ALA  15 -11.245   0.203   0.203
  114   1HB   ALA  15          2HB       ALA  15 -13.736   1.807   1.807
  115   2HB   ALA  15          1HB       ALA  15 -13.075   1.813   1.813
  116   3HB   ALA  15          3HB       ALA  15 -13.478   0.293   0.293
  117    H    GLU  16           H        GLU  16 -11.533   3.574   3.574
  118    HA   GLU  16           HA       GLU  16 -10.198   4.636   4.636
  119   1HB   GLU  16          2HB       GLU  16 -11.862   5.816   5.816
  120   2HB   GLU  16          1HB       GLU  16 -10.622   5.913   5.913
  121   1HG   GLU  16          2HG       GLU  16  -9.262   7.385   7.385
  122   2HG   GLU  16          1HG       GLU  16 -10.175   7.053   7.053
  123    H    VAL  17           H        VAL  17  -9.215   4.365   4.365
  124    HA   VAL  17           HA       VAL  17  -6.567   5.205   5.205
  125    HB   VAL  17           HB       VAL  17  -7.803   3.399   3.399
  126   1HG1  VAL  17          3HG1      VAL  17  -5.354   5.231   5.231
  127   2HG1  VAL  17          2HG1      VAL  17  -6.038   4.326   4.326
  128   3HG1  VAL  17          1HG1      VAL  17  -5.292   3.473   3.473
  129   1HG2  VAL  17          3HG2      VAL  17  -7.659   6.429   6.429
  130   2HG2  VAL  17          2HG2      VAL  17  -9.106   5.440   5.440
  131   3HG2  VAL  17          1HG2      VAL  17  -8.080   5.612   5.612
  132    H    LYS  18           H        LYS  18  -7.954   2.129   2.129
  133    HA   LYS  18           HA       LYS  18  -5.885   0.298   0.298
  134   1HB   LYS  18          2HB       LYS  18  -8.256  -0.184  -0.184
  135   2HB   LYS  18          1HB       LYS  18  -7.784   0.326   0.326
  136   1HG   LYS  18          2HG       LYS  18  -7.192  -1.841  -1.841
  137   2HG   LYS  18          1HG       LYS  18  -5.794  -1.544  -1.544
  138   1HD   LYS  18          2HD       LYS  18  -6.812  -3.476  -3.476
  139   2HD   LYS  18          1HD       LYS  18  -7.238  -2.174  -2.174
  140   1HE   LYS  18          2HE       LYS  18  -9.224  -3.565  -3.565
  141   2HE   LYS  18          1HE       LYS  18  -9.478  -1.985  -1.985
  142   1HZ   LYS  18          3HZ       LYS  18  -8.362  -4.257  -4.257
  143   2HZ   LYS  18          2HZ       LYS  18 -10.031  -3.961  -3.961
  144   3HZ   LYS  18          1HZ       LYS  18  -9.012  -2.806  -2.806
  145    H    LYS  19           H        LYS  19  -6.385   2.438   2.438
  146    HA   LYS  19           HA       LYS  19  -4.307   1.421   1.421
  147   1HB   LYS  19          2HB       LYS  19  -6.264   3.141   3.141
  148   2HB   LYS  19          1HB       LYS  19  -5.103   4.350   4.350
  149   1HG   LYS  19          2HG       LYS  19  -4.840   4.173   4.173
  150   2HG   LYS  19          1HG       LYS  19  -3.467   3.316   3.316
  151   1HD   LYS  19          2HD       LYS  19  -4.339   1.191   1.191
  152   2HD   LYS  19          1HD       LYS  19  -5.995   1.758   1.758
  153   1HE   LYS  19          2HE       LYS  19  -5.839   2.386   2.386
  154   2HE   LYS  19          1HE       LYS  19  -4.223   3.052   3.052
  155   1HZ   LYS  19          3HZ       LYS  19  -4.573   0.151   0.151
  156   2HZ   LYS  19          2HZ       LYS  19  -4.630   0.912   0.912
  157   3HZ   LYS  19          1HZ       LYS  19  -3.246   1.060   1.060
  158    H    ASN  20           H        ASN  20  -4.305   4.066   4.066
  159    HA   ASN  20           HA       ASN  20  -1.390   4.422   4.422
  160   1HB   ASN  20          2HB       ASN  20  -1.902   6.441   6.441
  161   2HB   ASN  20          1HB       ASN  20  -2.707   6.439   6.439
  162   1HD2  ASN  20          2HD2      ASN  20  -5.956   6.253   6.253
  163   2HD2  ASN  20          1HD2      ASN  20  -5.026   6.220   6.220
  164    H    ALA  21           H        ALA  21  -3.005   2.236   2.236
  165    HA   ALA  21           HA       ALA  21  -2.115   2.642   2.642
  166   1HB   ALA  21          1HB       ALA  21  -3.333   0.276   0.276
  167   2HB   ALA  21          3HB       ALA  21  -2.906   0.211   0.211
  168   3HB   ALA  21          2HB       ALA  21  -4.121   1.345   1.345
  169   1HN   NH2  22          1HT       ALA  21  -0.229   2.073   2.073
  170   2HN   NH2  22          2HT       ALA  21   0.958   1.075   1.075

  Start of MODEL   12
    1   1H    GLY   1          3H        GLY   1 -26.916 -10.069 -10.069
    2   2H    GLY   1          2H        GLY   1 -28.153  -9.835  -9.835
    3   3H    GLY   1          1H        GLY   1 -28.528 -10.424 -10.424
    4   1HA   GLY   1          1HA       GLY   1 -27.888  -8.376  -8.376
    5   2HA   GLY   1          2HA       GLY   1 -29.107  -8.121  -8.121
    6    H    GLU   2           H        GLU   2 -27.096  -8.707  -8.707
    7    HA   GLU   2           HA       GLU   2 -26.034  -5.983  -5.983
    8   1HB   GLU   2          2HB       GLU   2 -25.424  -6.753  -6.753
    9   2HB   GLU   2          1HB       GLU   2 -27.119  -6.843  -6.843
   10   1HG   GLU   2          2HG       GLU   2 -27.031  -9.003  -9.003
   11   2HG   GLU   2          1HG       GLU   2 -26.254  -9.410  -9.410
   12   1HN   CGU   3           HN       GLA   3 -24.694  -9.261  -9.261
   13    HA   CGU   3           HA       GLA   3 -22.008  -8.680  -8.680
   14   1HB   CGU   3          1HB       GLA   3 -23.514 -10.925 -10.925
   15   2HB   CGU   3          2HB       GLA   3 -21.811 -10.937 -10.937
   16    HG   CGU   3           HG       GLA   3 -22.840 -10.476 -10.476
   17   1HN   CGU   4           HN       GLA   4 -23.741  -8.501  -8.501
   18    HA   CGU   4           HA       GLA   4 -21.487  -7.856  -7.856
   19   1HB   CGU   4          1HB       GLA   4 -23.277  -8.817  -8.817
   20   2HB   CGU   4          2HB       GLA   4 -23.407  -7.134  -7.134
   21    HG   CGU   4           HG       GLA   4 -24.912  -7.432  -7.432
   22    H    TYR   5           H        TYR   5 -24.036  -5.974  -5.974
   23    HA   TYR   5           HA       TYR   5 -23.327  -3.442  -3.442
   24   1HB   TYR   5          2HB       TYR   5 -25.398  -4.344  -4.344
   25   2HB   TYR   5          1HB       TYR   5 -24.459  -3.533  -3.533
   26    HD1  TYR   5           HD2      TYR   5 -25.825  -2.996  -2.996
   27    HD2  TYR   5           HD1      TYR   5 -24.677  -1.176  -1.176
   28    HE1  TYR   5           HE2      TYR   5 -26.688  -0.850  -0.850
   29    HE2  TYR   5           HE1      TYR   5 -25.543   0.969   0.969
   30    HH   TYR   5           HH       TYR   5 -26.411   2.093   2.093
   31    H    GLN   6           H        GLN   6 -22.080  -5.217  -5.217
   32    HA   GLN   6           HA       GLN   6 -20.492  -2.979  -2.979
   33   1HB   GLN   6          2HB       GLN   6 -21.430  -5.129  -5.129
   34   2HB   GLN   6          1HB       GLN   6 -19.982  -5.906  -5.906
   35   1HG   GLN   6          2HG       GLN   6 -18.750  -3.768  -3.768
   36   2HG   GLN   6          1HG       GLN   6 -20.241  -3.596  -3.596
   37   1HE2  GLN   6          2HE2      GLN   6 -19.440  -6.195  -6.195
   38   2HE2  GLN   6          1HE2      GLN   6 -20.495  -4.928  -4.928
   39    H    LYS   7           H        LYS   7 -20.028  -5.854  -5.854
   40    HA   LYS   7           HA       LYS   7 -17.243  -5.913  -5.913
   41   1HB   LYS   7          2HB       LYS   7 -19.017  -7.581  -7.581
   42   2HB   LYS   7          1HB       LYS   7 -19.235  -6.538  -6.538
   43   1HG   LYS   7          2HG       LYS   7 -16.453  -7.496  -7.496
   44   2HG   LYS   7          1HG       LYS   7 -17.553  -8.572  -8.572
   45   1HD   LYS   7          2HD       LYS   7 -17.839  -6.419  -6.419
   46   2HD   LYS   7          1HD       LYS   7 -16.239  -6.055  -6.055
   47   1HE   LYS   7          2HE       LYS   7 -17.067  -8.654  -8.654
   48   2HE   LYS   7          1HE       LYS   7 -16.065  -7.390  -7.390
   49   1HZ   LYS   7          1HZ       LYS   7 -14.675  -7.829  -7.829
   50   2HZ   LYS   7          3HZ       LYS   7 -15.412  -9.355  -9.355
   51   3HZ   LYS   7          2HZ       LYS   7 -14.474  -8.769  -8.769
   52    H    MET   8           H        MET   8 -19.544  -4.442  -4.442
   53    HA   MET   8           HA       MET   8 -17.618  -3.112  -3.112
   54   1HB   MET   8          2HB       MET   8 -19.683  -1.548  -1.548
   55   2HB   MET   8          1HB       MET   8 -19.720  -3.217  -3.217
   56   1HG   MET   8          2HG       MET   8 -21.539  -3.607  -3.607
   57   2HG   MET   8          1HG       MET   8 -20.791  -2.941  -2.941
   58   1HE   MET   8          2HE       MET   8 -23.105  -2.463  -2.463
   59   2HE   MET   8          1HE       MET   8 -23.521  -0.758  -0.758
   60   3HE   MET   8          3HE       MET   8 -21.902  -1.228  -1.228
   61    H    LEU   9           H        LEU   9 -19.207  -2.143  -2.143
   62    HA   LEU   9           HA       LEU   9 -18.406   0.617   0.617
   63   1HB   LEU   9          2HB       LEU   9 -19.573  -1.327  -1.327
   64   2HB   LEU   9          1HB       LEU   9 -18.878   0.104   0.104
   65    HG   LEU   9           HG       LEU   9 -21.414  -0.023  -0.023
   66   1HD1  LEU   9          1HD1      LEU   9 -19.513   2.332   2.332
   67   2HD1  LEU   9          3HD1      LEU   9 -21.246   2.553   2.553
   68   3HD1  LEU   9          2HD1      LEU   9 -20.570   1.996   1.996
   69   1HD2  LEU   9          3HD2      LEU   9 -20.744  -0.544  -0.544
   70   2HD2  LEU   9          2HD2      LEU   9 -22.026   0.617   0.617
   71   3HD2  LEU   9          1HD2      LEU   9 -20.414   1.166   1.166
   72   1HN   CGU  10           HN       GLA  10 -16.901  -2.298  -2.298
   73    HA   CGU  10           HA       GLA  10 -14.817  -1.009  -1.009
   74   1HB   CGU  10          1HB       GLA  10 -13.726  -3.407  -3.407
   75   2HB   CGU  10          2HB       GLA  10 -15.298  -3.781  -3.781
   76    HG   CGU  10           HG       GLA  10 -16.251  -2.901  -2.901
   77    H    ASN  11           H        ASN  11 -15.224  -2.295  -2.295
   78    HA   ASN  11           HA       ASN  11 -12.608  -1.277  -1.277
   79   1HB   ASN  11          2HB       ASN  11 -14.265  -3.551  -3.551
   80   2HB   ASN  11          1HB       ASN  11 -14.215  -2.601  -2.601
   81   1HD2  ASN  11          2HD2      ASN  11 -10.809  -4.360  -4.360
   82   2HD2  ASN  11          1HD2      ASN  11 -12.146  -4.159  -4.159
   83    H    LEU  12           H        LEU  12 -15.353   0.312   0.312
   84    HA   LEU  12           HA       LEU  12 -16.109   1.338   1.338
   85   1HB   LEU  12          2HB       LEU  12 -16.820   1.735   1.735
   86   2HB   LEU  12          1HB       LEU  12 -16.449   3.320   3.320
   87    HG   LEU  12           HG       LEU  12 -18.466   1.359   1.359
   88   1HD1  LEU  12          3HD1      LEU  12 -18.985   2.990   2.990
   89   2HD1  LEU  12          2HD1      LEU  12 -18.809   4.298   4.298
   90   3HD1  LEU  12          1HD1      LEU  12 -20.084   3.108   3.108
   91   1HD2  LEU  12          1HD2      LEU  12 -17.272   3.774   3.774
   92   2HD2  LEU  12          3HD2      LEU  12 -17.756   2.234   2.234
   93   3HD2  LEU  12          2HD2      LEU  12 -18.970   3.415   3.415
   94    H    ARG  13           H        ARG  13 -13.827   2.363   2.363
   95    HA   ARG  13           HA       ARG  13 -12.922   4.785   4.785
   96   1HB   ARG  13          2HB       ARG  13 -12.561   3.896   3.896
   97   2HB   ARG  13          1HB       ARG  13 -11.277   2.913   2.913
   98   1HG   ARG  13          2HG       ARG  13 -10.013   4.766   4.766
   99   2HG   ARG  13          1HG       ARG  13 -10.455   5.276   5.276
  100   1HD   ARG  13          2HD       ARG  13 -12.203   5.972   5.972
  101   2HD   ARG  13          1HD       ARG  13 -10.804   6.961   6.961
  102    HE   ARG  13           HE       ARG  13 -12.195   6.648   6.648
  103   1HH1  ARG  13          2HH1      ARG  13 -12.954   7.806   7.806
  104   2HH1  ARG  13          1HH1      ARG  13 -14.159   8.910   8.910
  105   1HH2  ARG  13          1HH2      ARG  13 -13.717   8.045   8.045
  106   2HH2  ARG  13          2HH2      ARG  13 -14.598   9.044   9.044
  107   1HN   CGU  14           HN       GLA  14 -12.432   1.502   1.502
  108    HA   CGU  14           HA       GLA  14 -10.088   1.765   1.765
  109   1HB   CGU  14          1HB       GLA  14 -10.871  -0.925  -0.925
  110   2HB   CGU  14          2HB       GLA  14 -11.452  -0.345  -0.345
  111    HG   CGU  14           HG       GLA  14  -9.007   0.787   0.787
  112    H    ALA  15           H        ALA  15 -13.524   1.511   1.511
  113    HA   ALA  15           HA       ALA  15 -13.793   0.315   0.315
  114   1HB   ALA  15          1HB       ALA  15 -15.632   0.823   0.823
  115   2HB   ALA  15          3HB       ALA  15 -15.661   2.448   2.448
  116   3HB   ALA  15          2HB       ALA  15 -16.060   1.065   1.065
  117    H    GLU  16           H        GLU  16 -13.200   3.529   3.529
  118    HA   GLU  16           HA       GLU  16 -13.563   5.014   5.014
  119   1HB   GLU  16          2HB       GLU  16 -12.288   5.396   5.396
  120   2HB   GLU  16          1HB       GLU  16 -11.387   6.230   6.230
  121   1HG   GLU  16          2HG       GLU  16 -14.341   6.565   6.565
  122   2HG   GLU  16          1HG       GLU  16 -13.071   7.750   7.750
  123    H    VAL  17           H        VAL  17 -10.752   3.385   3.385
  124    HA   VAL  17           HA       VAL  17  -8.968   4.003   4.003
  125    HB   VAL  17           HB       VAL  17  -8.882   1.653   1.653
  126   1HG1  VAL  17          2HG1      VAL  17  -6.770   2.961   2.961
  127   2HG1  VAL  17          1HG1      VAL  17  -6.346   1.948   1.948
  128   3HG1  VAL  17          3HG1      VAL  17  -7.250   1.271   1.271
  129   1HG2  VAL  17          1HG2      VAL  17  -7.876   4.518   4.518
  130   2HG2  VAL  17          3HG2      VAL  17  -9.033   3.695   3.695
  131   3HG2  VAL  17          2HG2      VAL  17  -7.348   3.212   3.212
  132    H    LYS  18           H        LYS  18 -11.148   1.351   1.351
  133    HA   LYS  18           HA       LYS  18 -10.347  -0.492  -0.492
  134   1HB   LYS  18          2HB       LYS  18 -12.148  -0.686  -0.686
  135   2HB   LYS  18          1HB       LYS  18 -13.258  -0.036  -0.036
  136   1HG   LYS  18          2HG       LYS  18 -11.897  -2.081  -2.081
  137   2HG   LYS  18          1HG       LYS  18 -12.084  -2.742  -2.742
  138   1HD   LYS  18          2HD       LYS  18 -14.362  -1.545  -1.545
  139   2HD   LYS  18          1HD       LYS  18 -13.999  -3.254  -3.254
  140   1HE   LYS  18          2HE       LYS  18 -15.236  -3.437  -3.437
  141   2HE   LYS  18          1HE       LYS  18 -14.157  -2.334  -2.334
  142   1HZ   LYS  18          1HZ       LYS  18 -16.290  -1.363  -1.363
  143   2HZ   LYS  18          3HZ       LYS  18 -16.568  -1.697  -1.697
  144   3HZ   LYS  18          2HZ       LYS  18 -15.439  -0.509  -0.509
  145    H    LYS  19           H        LYS  19 -12.427   2.315   2.315
  146    HA   LYS  19           HA       LYS  19 -13.418   1.918   1.918
  147   1HB   LYS  19          2HB       LYS  19 -12.934   4.437   4.437
  148   2HB   LYS  19          1HB       LYS  19 -13.741   4.459   4.459
  149   1HG   LYS  19          2HG       LYS  19 -15.335   2.651   2.651
  150   2HG   LYS  19          1HG       LYS  19 -14.687   3.183   3.183
  151   1HD   LYS  19          2HD       LYS  19 -15.884   5.124   5.124
  152   2HD   LYS  19          1HD       LYS  19 -16.846   4.331   4.331
  153   1HE   LYS  19          2HE       LYS  19 -16.299   6.347   6.347
  154   2HE   LYS  19          1HE       LYS  19 -15.054   5.283   5.283
  155   1HZ   LYS  19          1HZ       LYS  19 -14.771   7.124   7.124
  156   2HZ   LYS  19          3HZ       LYS  19 -14.146   7.374   7.374
  157   3HZ   LYS  19          2HZ       LYS  19 -13.554   6.108   6.108
  158    H    ASN  20           H        ASN  20 -10.584   3.561   3.561
  159    HA   ASN  20           HA       ASN  20  -9.570   4.587   4.587
  160   1HB   ASN  20          2HB       ASN  20  -8.757   5.357   5.357
  161   2HB   ASN  20          1HB       ASN  20  -8.044   3.780   3.780
  162   1HD2  ASN  20          2HD2      ASN  20  -5.198   4.364   4.364
  163   2HD2  ASN  20          1HD2      ASN  20  -6.085   3.230   3.230
  164    H    ALA  21           H        ALA  21  -9.404   1.492   1.492
  165    HA   ALA  21           HA       ALA  21  -7.353   0.370   0.370
  166   1HB   ALA  21          3HB       ALA  21  -7.938  -0.370  -0.370
  167   2HB   ALA  21          2HB       ALA  21  -9.304  -1.215  -1.215
  168   3HB   ALA  21          1HB       ALA  21  -7.666  -1.645  -1.645
  169   1HN   NH2  22          1HT       ALA  21 -10.867   0.613   0.613
  170   2HN   NH2  22          2HT       ALA  21 -11.100  -0.267  -0.267

  Start of MODEL   13
    1   1H    GLY   1          2H        GLY   1 -25.841  -8.903  -8.903
    2   2H    GLY   1          1H        GLY   1 -26.535  -8.435  -8.435
    3   3H    GLY   1          3H        GLY   1 -27.475  -9.247  -9.247
    4   1HA   GLY   1          1HA       GLY   1 -27.315  -7.443  -7.443
    5   2HA   GLY   1          2HA       GLY   1 -27.950  -6.904  -6.904
    6    H    GLU   2           H        GLU   2 -25.429  -7.049  -7.049
    7    HA   GLU   2           HA       GLU   2 -24.364  -4.439  -4.439
    8   1HB   GLU   2          2HB       GLU   2 -23.777  -6.198  -6.198
    9   2HB   GLU   2          1HB       GLU   2 -23.019  -4.641  -4.641
   10   1HG   GLU   2          2HG       GLU   2 -25.256  -3.539  -3.539
   11   2HG   GLU   2          1HG       GLU   2 -26.031  -5.093  -5.093
   12   1HN   CGU   3           HN       GLA   3 -23.341  -7.774  -7.774
   13    HA   CGU   3           HA       GLA   3 -20.546  -7.367  -7.367
   14   1HB   CGU   3          1HB       GLA   3 -22.328  -9.530  -9.530
   15   2HB   CGU   3          2HB       GLA   3 -20.595  -9.627  -9.627
   16    HG   CGU   3           HG       GLA   3 -22.341  -9.786  -9.786
   17   1HN   CGU   4           HN       GLA   4 -23.164  -7.915  -7.915
   18    HA   CGU   4           HA       GLA   4 -21.643  -7.786  -7.786
   19   1HB   CGU   4          1HB       GLA   4 -23.731  -8.851  -8.851
   20   2HB   CGU   4          2HB       GLA   4 -23.991  -7.332  -7.332
   21    HG   CGU   4           HG       GLA   4 -24.572  -6.889  -6.889
   22    H    TYR   5           H        TYR   5 -23.475  -5.386  -5.386
   23    HA   TYR   5           HA       TYR   5 -23.264  -3.251  -3.251
   24   1HB   TYR   5          2HB       TYR   5 -24.687  -3.543  -3.543
   25   2HB   TYR   5          1HB       TYR   5 -23.312  -2.760  -2.760
   26    HD1  TYR   5           HD1      TYR   5 -22.631  -0.462  -0.462
   27    HD2  TYR   5           HD2      TYR   5 -26.206  -2.307  -2.307
   28    HE1  TYR   5           HE1      TYR   5 -23.459   1.714   1.714
   29    HE2  TYR   5           HE2      TYR   5 -27.031  -0.130  -0.130
   30    HH   TYR   5           HH       TYR   5 -25.072   2.812   2.812
   31    H    GLN   6           H        GLN   6 -21.318  -4.149  -4.149
   32    HA   GLN   6           HA       GLN   6 -19.396  -2.032  -2.032
   33   1HB   GLN   6          2HB       GLN   6 -19.917  -3.567  -3.567
   34   2HB   GLN   6          1HB       GLN   6 -18.856  -4.734  -4.734
   35   1HG   GLN   6          2HG       GLN   6 -17.192  -2.597  -2.597
   36   2HG   GLN   6          1HG       GLN   6 -18.207  -2.039  -2.039
   37   1HE2  GLN   6          2HE2      GLN   6 -17.279  -4.999  -4.999
   38   2HE2  GLN   6          1HE2      GLN   6 -18.724  -4.298  -4.298
   39    H    LYS   7           H        LYS   7 -19.585  -5.266  -5.266
   40    HA   LYS   7           HA       LYS   7 -16.893  -5.475  -5.475
   41   1HB   LYS   7          2HB       LYS   7 -18.799  -7.295  -7.295
   42   2HB   LYS   7          1HB       LYS   7 -19.237  -6.782  -6.782
   43   1HG   LYS   7          2HG       LYS   7 -17.723  -8.505  -8.505
   44   2HG   LYS   7          1HG       LYS   7 -16.667  -7.113  -7.113
   45   1HD   LYS   7          2HD       LYS   7 -15.561  -8.832  -8.832
   46   2HD   LYS   7          1HD       LYS   7 -16.019  -7.544  -7.544
   47   1HE   LYS   7          2HE       LYS   7 -17.830  -8.798  -8.798
   48   2HE   LYS   7          1HE       LYS   7 -17.856  -9.924  -9.924
   49   1HZ   LYS   7          3HZ       LYS   7 -15.544  -9.697  -9.697
   50   2HZ   LYS   7          2HZ       LYS   7 -16.860 -10.724 -10.724
   51   3HZ   LYS   7          1HZ       LYS   7 -15.923 -10.953 -10.953
   52    H    MET   8           H        MET   8 -19.870  -4.431  -4.431
   53    HA   MET   8           HA       MET   8 -18.688  -3.846  -3.846
   54   1HB   MET   8          2HB       MET   8 -21.283  -3.997  -3.997
   55   2HB   MET   8          1HB       MET   8 -21.104  -2.260  -2.260
   56   1HG   MET   8          2HG       MET   8 -20.163  -3.757  -3.757
   57   2HG   MET   8          1HG       MET   8 -21.853  -3.918  -3.918
   58   1HE   MET   8          2HE       MET   8 -23.558  -2.576  -2.576
   59   2HE   MET   8          1HE       MET   8 -23.295  -1.299  -1.299
   60   3HE   MET   8          3HE       MET   8 -23.517  -0.900  -0.900
   61    H    LEU   9           H        LEU   9 -19.326  -1.952  -1.952
   62    HA   LEU   9           HA       LEU   9 -18.402   0.539   0.539
   63   1HB   LEU   9          2HB       LEU   9 -19.421  -0.409  -0.409
   64   2HB   LEU   9          1HB       LEU   9 -18.024   0.602   0.602
   65    HG   LEU   9           HG       LEU   9 -20.367   1.399   1.399
   66   1HD1  LEU   9          3HD1      LEU   9 -21.002   1.165   1.165
   67   2HD1  LEU   9          2HD1      LEU   9 -19.721   2.287   2.287
   68   3HD1  LEU   9          1HD1      LEU   9 -21.075   2.832   2.832
   69   1HD2  LEU   9          2HD2      LEU   9 -17.873   2.864   2.864
   70   2HD2  LEU   9          1HD2      LEU   9 -18.404   2.659   2.659
   71   3HD2  LEU   9          3HD2      LEU   9 -19.281   3.731   3.731
   72   1HN   CGU  10           HN       GLA  10 -16.943  -2.177  -2.177
   73    HA   CGU  10           HA       GLA  10 -14.416  -1.050  -1.050
   74   1HB   CGU  10          1HB       GLA  10 -14.034  -3.796  -3.796
   75   2HB   CGU  10          2HB       GLA  10 -15.626  -3.699  -3.699
   76    HG   CGU  10           HG       GLA  10 -14.559  -2.401  -2.401
   77    H    ASN  11           H        ASN  11 -15.801  -2.094  -2.094
   78    HA   ASN  11           HA       ASN  11 -13.249  -1.995  -1.995
   79   1HB   ASN  11          2HB       ASN  11 -15.251  -3.725  -3.725
   80   2HB   ASN  11          1HB       ASN  11 -15.959  -2.452  -2.452
   81   1HD2  ASN  11          2HD2      ASN  11 -12.675  -4.470  -4.470
   82   2HD2  ASN  11          1HD2      ASN  11 -13.227  -4.678  -4.678
   83    H    LEU  12           H        LEU  12 -16.117  -0.152  -0.152
   84    HA   LEU  12           HA       LEU  12 -15.892   1.637   1.637
   85   1HB   LEU  12          2HB       LEU  12 -17.407   1.573   1.573
   86   2HB   LEU  12          1HB       LEU  12 -17.401   3.074   3.074
   87    HG   LEU  12           HG       LEU  12 -18.085   0.492   0.492
   88   1HD1  LEU  12          1HD1      LEU  12 -19.999   2.163   2.163
   89   2HD1  LEU  12          3HD1      LEU  12 -20.518   1.009   1.009
   90   3HD1  LEU  12          2HD1      LEU  12 -19.644   0.454   0.454
   91   1HD2  LEU  12          3HD2      LEU  12 -17.709   2.609   2.609
   92   2HD2  LEU  12          2HD2      LEU  12 -19.368   2.057   2.057
   93   3HD2  LEU  12          1HD2      LEU  12 -18.974   3.391   3.391
   94    H    ARG  13           H        ARG  13 -14.940   1.881   1.881
   95    HA   ARG  13           HA       ARG  13 -13.736   4.513   4.513
   96   1HB   ARG  13          2HB       ARG  13 -14.390   2.746   2.746
   97   2HB   ARG  13          1HB       ARG  13 -12.647   2.848   2.848
   98   1HG   ARG  13          2HG       ARG  13 -13.263   4.658   4.658
   99   2HG   ARG  13          1HG       ARG  13 -13.019   5.451   5.451
  100   1HD   ARG  13          2HD       ARG  13 -15.756   4.465   4.465
  101   2HD   ARG  13          1HD       ARG  13 -15.195   6.116   6.116
  102    HE   ARG  13           HE       ARG  13 -16.159   4.901   4.901
  103   1HH1  ARG  13          1HH2      ARG  13 -14.090   7.333   7.333
  104   2HH1  ARG  13          2HH2      ARG  13 -14.156   8.336   8.336
  105   1HH2  ARG  13          2HH1      ARG  13 -16.239   6.160   6.160
  106   2HH2  ARG  13          1HH1      ARG  13 -15.384   7.667   7.667
  107   1HN   CGU  14           HN       GLA  14 -12.616   1.203   1.203
  108    HA   CGU  14           HA       GLA  14  -9.833   1.927   1.927
  109   1HB   CGU  14          1HB       GLA  14 -10.150  -0.666  -0.666
  110   2HB   CGU  14          2HB       GLA  14 -11.458  -0.536  -0.536
  111    HG   CGU  14           HG       GLA  14  -9.357   0.617   0.617
  112    H    ALA  15           H        ALA  15 -12.537   1.986   1.986
  113    HA   ALA  15           HA       ALA  15 -11.401   1.259   1.259
  114   1HB   ALA  15          1HB       ALA  15 -13.862   1.933   1.933
  115   2HB   ALA  15          3HB       ALA  15 -13.323   3.593   3.593
  116   3HB   ALA  15          2HB       ALA  15 -13.207   2.469   2.469
  117    H    GLU  16           H        GLU  16 -10.950   3.963   3.963
  118    HA   GLU  16           HA       GLU  16  -9.485   5.568   5.568
  119   1HB   GLU  16          2HB       GLU  16 -11.192   6.585   6.585
  120   2HB   GLU  16          1HB       GLU  16 -10.136   6.193   6.193
  121   1HG   GLU  16          2HG       GLU  16  -8.304   7.572   7.572
  122   2HG   GLU  16          1HG       GLU  16  -9.459   8.035   8.035
  123    H    VAL  17           H        VAL  17  -8.945   4.400   4.400
  124    HA   VAL  17           HA       VAL  17  -6.237   4.983   4.983
  125    HB   VAL  17           HB       VAL  17  -7.778   2.694   2.694
  126   1HG1  VAL  17          3HG1      VAL  17  -5.118   4.020   4.020
  127   2HG1  VAL  17          2HG1      VAL  17  -6.046   3.173   3.173
  128   3HG1  VAL  17          1HG1      VAL  17  -5.455   2.306   2.306
  129   1HG2  VAL  17          1HG2      VAL  17  -8.837   4.947   4.947
  130   2HG2  VAL  17          3HG2      VAL  17  -8.187   4.308   4.308
  131   3HG2  VAL  17          2HG2      VAL  17  -7.313   5.555   5.555
  132    H    LYS  18           H        LYS  18  -7.766   2.383   2.383
  133    HA   LYS  18           HA       LYS  18  -5.503   0.598   0.598
  134   1HB   LYS  18          2HB       LYS  18  -7.925  -0.063  -0.063
  135   2HB   LYS  18          1HB       LYS  18  -7.913   0.818   0.818
  136   1HG   LYS  18          2HG       LYS  18  -7.415  -1.274  -1.274
  137   2HG   LYS  18          1HG       LYS  18  -5.771  -0.810  -0.810
  138   1HD   LYS  18          2HD       LYS  18  -7.530  -2.230  -2.230
  139   2HD   LYS  18          1HD       LYS  18  -6.621  -3.119  -3.119
  140   1HE   LYS  18          2HE       LYS  18  -4.981  -3.101  -3.101
  141   2HE   LYS  18          1HE       LYS  18  -4.617  -1.509  -1.509
  142   1HZ   LYS  18          3HZ       LYS  18  -6.534  -1.995  -1.995
  143   2HZ   LYS  18          2HZ       LYS  18  -4.895  -1.635  -1.635
  144   3HZ   LYS  18          1HZ       LYS  18  -5.914  -0.503  -0.503
  145    H    LYS  19           H        LYS  19  -6.695   3.194   3.194
  146    HA   LYS  19           HA       LYS  19  -4.889   2.765   2.765
  147   1HB   LYS  19          2HB       LYS  19  -6.249   5.303   5.303
  148   2HB   LYS  19          1HB       LYS  19  -5.361   5.239   5.239
  149   1HG   LYS  19          2HG       LYS  19  -7.658   3.334   3.334
  150   2HG   LYS  19          1HG       LYS  19  -7.917   4.892   4.892
  151   1HD   LYS  19          2HD       LYS  19  -7.042   4.245   4.245
  152   2HD   LYS  19          1HD       LYS  19  -5.765   3.288   3.288
  153   1HE   LYS  19          2HE       LYS  19  -7.352   1.829   1.829
  154   2HE   LYS  19          1HE       LYS  19  -7.411   1.486   1.486
  155   1HZ   LYS  19          3HZ       LYS  19  -9.342   2.957   2.957
  156   2HZ   LYS  19          2HZ       LYS  19  -9.302   3.180   3.180
  157   3HZ   LYS  19          1HZ       LYS  19  -9.613   1.640   1.640
  158    H    ASN  20           H        ASN  20  -4.701   4.545   4.545
  159    HA   ASN  20           HA       ASN  20  -2.117   5.737   5.737
  160   1HB   ASN  20          2HB       ASN  20  -3.831   5.245   5.245
  161   2HB   ASN  20          1HB       ASN  20  -2.269   6.036   6.036
  162   1HD2  ASN  20          2HD2      ASN  20  -3.392   9.065   9.065
  163   2HD2  ASN  20          1HD2      ASN  20  -2.035   8.151   8.151
  164    H    ALA  21           H        ALA  21  -3.297   2.733   2.733
  165    HA   ALA  21           HA       ALA  21  -0.730   1.823   1.823
  166   1HB   ALA  21          1HB       ALA  21  -2.886   1.116   1.116
  167   2HB   ALA  21          3HB       ALA  21  -3.337   0.326   0.326
  168   3HB   ALA  21          2HB       ALA  21  -1.978  -0.277  -0.277
  169   1HN   NH2  22          1HT       ALA  21  -2.124   1.924   1.924
  170   2HN   NH2  22          2HT       ALA  21  -1.129   0.761   0.761

  Start of MODEL   14
    1   1H    GLY   1          3H        GLY   1 -28.401  -9.389  -9.389
    2   2H    GLY   1          2H        GLY   1 -28.318 -10.894 -10.894
    3   3H    GLY   1          1H        GLY   1 -27.029 -10.371 -10.371
    4   1HA   GLY   1          1HA       GLY   1 -26.457 -10.153 -10.153
    5   2HA   GLY   1          2HA       GLY   1 -27.933  -9.130  -9.130
    6    H    GLU   2           H        GLU   2 -25.856  -9.115  -9.115
    7    HA   GLU   2           HA       GLU   2 -25.385  -6.227  -6.227
    8   1HB   GLU   2          2HB       GLU   2 -24.870  -8.234  -8.234
    9   2HB   GLU   2          1HB       GLU   2 -24.260  -6.592  -6.592
   10   1HG   GLU   2          2HG       GLU   2 -27.199  -7.281  -7.281
   11   2HG   GLU   2          1HG       GLU   2 -26.499  -6.936  -6.936
   12   1HN   CGU   3           HN       GLA   3 -23.683  -9.210  -9.210
   13    HA   CGU   3           HA       GLA   3 -21.008  -8.209  -8.209
   14   1HB   CGU   3          1HB       GLA   3 -20.543 -10.340 -10.340
   15   2HB   CGU   3          2HB       GLA   3 -22.254 -10.651 -10.651
   16    HG   CGU   3           HG       GLA   3 -20.860  -9.958  -9.958
   17   1HN   CGU   4           HN       GLA   4 -23.032  -8.982  -8.982
   18    HA   CGU   4           HA       GLA   4 -21.289  -8.066  -8.066
   19   1HB   CGU   4          1HB       GLA   4 -23.214  -9.435  -9.435
   20   2HB   CGU   4          2HB       GLA   4 -23.328  -7.968  -7.968
   21    HG   CGU   4           HG       GLA   4 -24.597  -7.854  -7.854
   22    H    TYR   5           H        TYR   5 -23.241  -6.292  -6.292
   23    HA   TYR   5           HA       TYR   5 -23.410  -3.832  -3.832
   24   1HB   TYR   5          2HB       TYR   5 -24.784  -4.751  -4.751
   25   2HB   TYR   5          1HB       TYR   5 -23.554  -3.876  -3.876
   26    HD1  TYR   5           HD2      TYR   5 -25.589  -3.257  -3.257
   27    HD2  TYR   5           HD1      TYR   5 -24.218  -1.714  -1.714
   28    HE1  TYR   5           HE2      TYR   5 -26.787  -1.173  -1.173
   29    HE2  TYR   5           HE1      TYR   5 -25.425   0.371   0.371
   30    HH   TYR   5           HH       TYR   5 -26.241   1.637   1.637
   31    H    GLN   6           H        GLN   6 -21.491  -4.744  -4.744
   32    HA   GLN   6           HA       GLN   6 -19.756  -2.424  -2.424
   33   1HB   GLN   6          2HB       GLN   6 -20.276  -4.468  -4.468
   34   2HB   GLN   6          1HB       GLN   6 -18.553  -4.374  -4.374
   35   1HG   GLN   6          2HG       GLN   6 -19.052  -2.741  -2.741
   36   2HG   GLN   6          1HG       GLN   6 -18.757  -1.819  -1.819
   37   1HE2  GLN   6          2HE2      GLN   6 -22.660  -2.195  -2.195
   38   2HE2  GLN   6          1HE2      GLN   6 -21.565  -3.455  -3.455
   39    H    LYS   7           H        LYS   7 -19.859  -5.446  -5.446
   40    HA   LYS   7           HA       LYS   7 -17.041  -5.933  -5.933
   41   1HB   LYS   7          2HB       LYS   7 -18.666  -7.740  -7.740
   42   2HB   LYS   7          1HB       LYS   7 -19.499  -6.917  -6.917
   43   1HG   LYS   7          2HG       LYS   7 -18.003  -7.615  -7.615
   44   2HG   LYS   7          1HG       LYS   7 -16.613  -7.357  -7.357
   45   1HD   LYS   7          2HD       LYS   7 -16.976  -9.456  -9.456
   46   2HD   LYS   7          1HD       LYS   7 -18.531  -9.690  -9.690
   47   1HE   LYS   7          2HE       LYS   7 -16.720 -11.064 -11.064
   48   2HE   LYS   7          1HE       LYS   7 -17.437  -9.933  -9.933
   49   1HZ   LYS   7          3HZ       LYS   7 -15.188  -8.897  -8.897
   50   2HZ   LYS   7          2HZ       LYS   7 -14.820 -10.189 -10.189
   51   3HZ   LYS   7          1HZ       LYS   7 -15.556  -8.785  -8.785
   52    H    MET   8           H        MET   8 -19.617  -4.528  -4.528
   53    HA   MET   8           HA       MET   8 -17.854  -3.770  -3.770
   54   1HB   MET   8          2HB       MET   8 -20.289  -4.402  -4.402
   55   2HB   MET   8          1HB       MET   8 -20.721  -2.921  -2.921
   56   1HG   MET   8          2HG       MET   8 -19.382  -1.676  -1.676
   57   2HG   MET   8          1HG       MET   8 -19.256  -3.199  -3.199
   58   1HE   MET   8          2HE       MET   8 -21.174  -0.286  -0.286
   59   2HE   MET   8          1HE       MET   8 -22.714  -0.329  -0.329
   60   3HE   MET   8          3HE       MET   8 -22.479  -1.314  -1.314
   61    H    LEU   9           H        LEU   9 -19.286  -2.245  -2.245
   62    HA   LEU   9           HA       LEU   9 -18.561   0.435   0.435
   63   1HB   LEU   9          2HB       LEU   9 -19.577  -0.975  -0.975
   64   2HB   LEU   9          1HB       LEU   9 -19.010   0.667   0.667
   65    HG   LEU   9           HG       LEU   9 -21.533   0.231   0.231
   66   1HD1  LEU   9          1HD1      LEU   9 -20.229   2.477   2.477
   67   2HD1  LEU   9          3HD1      LEU   9 -19.969   2.191   2.191
   68   3HD1  LEU   9          2HD1      LEU   9 -21.595   2.414   2.414
   69   1HD2  LEU   9          1HD2      LEU   9 -21.085  -1.260  -1.260
   70   2HD2  LEU   9          3HD2      LEU   9 -22.108   0.113   0.113
   71   3HD2  LEU   9          2HD2      LEU   9 -20.432   0.132   0.132
   72   1HN   CGU  10           HN       GLA  10 -16.829  -2.090  -2.090
   73    HA   CGU  10           HA       GLA  10 -14.824  -0.282  -0.282
   74   1HB   CGU  10          1HB       GLA  10 -15.336  -2.735  -2.735
   75   2HB   CGU  10          2HB       GLA  10 -13.677  -2.251  -2.251
   76    HG   CGU  10           HG       GLA  10 -14.776  -3.417  -3.417
   77    H    ASN  11           H        ASN  11 -15.685  -1.700  -1.700
   78    HA   ASN  11           HA       ASN  11 -13.216  -1.148  -1.148
   79   1HB   ASN  11          2HB       ASN  11 -15.576  -2.886  -2.886
   80   2HB   ASN  11          1HB       ASN  11 -15.171  -2.095  -2.095
   81   1HD2  ASN  11          2HD2      ASN  11 -13.129  -5.299  -5.299
   82   2HD2  ASN  11          1HD2      ASN  11 -14.751  -4.966  -4.966
   83    H    LEU  12           H        LEU  12 -16.102   0.532   0.532
   84    HA   LEU  12           HA       LEU  12 -16.465   1.950   1.950
   85   1HB   LEU  12          2HB       LEU  12 -17.966   3.288   3.288
   86   2HB   LEU  12          1HB       LEU  12 -17.824   1.937   1.937
   87    HG   LEU  12           HG       LEU  12 -15.857   3.239   3.239
   88   1HD1  LEU  12          3HD1      LEU  12 -16.948   5.268   5.268
   89   2HD1  LEU  12          2HD1      LEU  12 -16.787   5.846   5.846
   90   3HD1  LEU  12          1HD1      LEU  12 -15.392   5.222   5.222
   91   1HD2  LEU  12          2HD2      LEU  12 -18.031   2.773   2.773
   92   2HD2  LEU  12          1HD2      LEU  12 -17.442   4.364   4.364
   93   3HD2  LEU  12          3HD2      LEU  12 -18.722   4.197   4.197
   94    H    ARG  13           H        ARG  13 -14.265   2.216   2.216
   95    HA   ARG  13           HA       ARG  13 -12.942   4.593   4.593
   96   1HB   ARG  13          2HB       ARG  13 -11.868   4.829   4.829
   97   2HB   ARG  13          1HB       ARG  13 -13.500   4.407   4.407
   98   1HG   ARG  13          2HG       ARG  13 -12.990   2.538   2.538
   99   2HG   ARG  13          1HG       ARG  13 -11.907   1.926   1.926
  100   1HD   ARG  13          2HD       ARG  13 -11.260   3.634   3.634
  101   2HD   ARG  13          1HD       ARG  13 -10.340   2.299   2.299
  102    HE   ARG  13           HE       ARG  13 -10.004   5.078   5.078
  103   1HH1  ARG  13          2HH1      ARG  13 -10.031   1.885   1.885
  104   2HH1  ARG  13          1HH1      ARG  13  -9.004   2.214   2.214
  105   1HH2  ARG  13          1HH2      ARG  13  -8.688   5.596   5.596
  106   2HH2  ARG  13          2HH2      ARG  13  -8.212   4.372   4.372
  107   1HN   CGU  14           HN       GLA  14 -12.510   1.169   1.169
  108    HA   CGU  14           HA       GLA  14  -9.752   1.144   1.144
  109   1HB   CGU  14          1HB       GLA  14 -10.676  -1.525  -1.525
  110   2HB   CGU  14          2HB       GLA  14 -11.540  -0.660  -0.660
  111    HG   CGU  14           HG       GLA  14  -9.481   0.183   0.183
  112    H    ALA  15           H        ALA  15 -12.701  -0.543  -0.543
  113    HA   ALA  15           HA       ALA  15 -11.536  -1.460  -1.460
  114   1HB   ALA  15          1HB       ALA  15 -14.438  -0.878  -0.878
  115   2HB   ALA  15          3HB       ALA  15 -13.938  -1.641  -1.641
  116   3HB   ALA  15          2HB       ALA  15 -13.618  -2.433  -2.433
  117    H    GLU  16           H        GLU  16 -12.255   1.676   1.676
  118    HA   GLU  16           HA       GLU  16 -12.873   2.711   2.711
  119   1HB   GLU  16          2HB       GLU  16 -13.110   3.693   3.693
  120   2HB   GLU  16          1HB       GLU  16 -11.913   4.725   4.725
  121   1HG   GLU  16          2HG       GLU  16 -13.983   5.794   5.794
  122   2HG   GLU  16          1HG       GLU  16 -13.543   4.985   4.985
  123    H    VAL  17           H        VAL  17 -10.237   3.049   3.049
  124    HA   VAL  17           HA       VAL  17  -8.404   4.144   4.144
  125    HB   VAL  17           HB       VAL  17  -7.881   2.893   2.893
  126   1HG1  VAL  17          2HG1      VAL  17  -6.200   4.517   4.517
  127   2HG1  VAL  17          1HG1      VAL  17  -6.040   4.884   4.884
  128   3HG1  VAL  17          3HG1      VAL  17  -5.713   3.262   3.262
  129   1HG2  VAL  17          3HG2      VAL  17  -8.588   5.765   5.765
  130   2HG2  VAL  17          2HG2      VAL  17  -9.599   4.671   4.671
  131   3HG2  VAL  17          1HG2      VAL  17  -8.100   5.261   5.261
  132    H    LYS  18           H        LYS  18  -9.526   1.053   1.053
  133    HA   LYS  18           HA       LYS  18  -7.277  -0.631  -0.631
  134   1HB   LYS  18          2HB       LYS  18  -8.755  -2.291  -2.291
  135   2HB   LYS  18          1HB       LYS  18  -9.734  -1.291  -1.291
  136   1HG   LYS  18          2HG       LYS  18 -11.115  -1.443  -1.443
  137   2HG   LYS  18          1HG       LYS  18 -10.287   0.058   0.058
  138   1HD   LYS  18          2HD       LYS  18  -9.362  -0.804  -0.804
  139   2HD   LYS  18          1HD       LYS  18  -8.747  -2.211  -2.211
  140   1HE   LYS  18          2HE       LYS  18 -10.528  -3.529  -3.529
  141   2HE   LYS  18          1HE       LYS  18 -11.697  -2.222  -2.222
  142   1HZ   LYS  18          3HZ       LYS  18 -10.777  -1.314  -1.314
  143   2HZ   LYS  18          2HZ       LYS  18  -9.705  -2.626  -2.626
  144   3HZ   LYS  18          1HZ       LYS  18 -11.380  -2.888  -2.888
  145    H    LYS  19           H        LYS  19  -8.625   1.516   1.516
  146    HA   LYS  19           HA       LYS  19  -7.457   0.490   0.490
  147   1HB   LYS  19          2HB       LYS  19  -8.728   3.042   3.042
  148   2HB   LYS  19          1HB       LYS  19  -7.552   3.262   3.262
  149   1HG   LYS  19          2HG       LYS  19  -9.034   1.037   1.037
  150   2HG   LYS  19          1HG       LYS  19 -10.238   2.020   2.020
  151   1HD   LYS  19          2HD       LYS  19  -8.327   3.455   3.455
  152   2HD   LYS  19          1HD       LYS  19  -9.454   2.354   2.354
  153   1HE   LYS  19          2HE       LYS  19 -10.918   3.970   3.970
  154   2HE   LYS  19          1HE       LYS  19  -9.960   5.023   5.023
  155   1HZ   LYS  19          1HZ       LYS  19 -10.864   3.619   3.619
  156   2HZ   LYS  19          3HZ       LYS  19 -12.027   3.085   3.085
  157   3HZ   LYS  19          2HZ       LYS  19 -11.909   4.737   4.737
  158    H    ASN  20           H        ASN  20  -6.356   2.904   2.904
  159    HA   ASN  20           HA       ASN  20  -3.816   3.343   3.343
  160   1HB   ASN  20          2HB       ASN  20  -5.282   4.750   4.750
  161   2HB   ASN  20          1HB       ASN  20  -4.087   4.016   4.016
  162   1HD2  ASN  20          2HD2      ASN  20  -1.827   6.564   6.564
  163   2HD2  ASN  20          1HD2      ASN  20  -2.555   5.627   5.627
  164    H    ALA  21           H        ALA  21  -4.988   1.026   1.026
  165    HA   ALA  21           HA       ALA  21  -2.429   0.281   0.281
  166   1HB   ALA  21          2HB       ALA  21  -5.218  -0.814  -0.814
  167   2HB   ALA  21          1HB       ALA  21  -3.926  -1.908  -1.908
  168   3HB   ALA  21          3HB       ALA  21  -4.165  -0.420  -0.420
  169   1HN   NH2  22          1HT       ALA  21  -4.499  -1.307  -1.307
  170   2HN   NH2  22          2HT       ALA  21  -3.225  -2.175  -2.175

  Start of MODEL   15
    1   1H    GLY   1          2H        GLY   1 -28.538  -3.670  -3.670
    2   2H    GLY   1          1H        GLY   1 -29.508  -3.007  -3.007
    3   3H    GLY   1          3H        GLY   1 -29.961  -4.460  -4.460
    4   1HA   GLY   1          1HA       GLY   1 -28.087  -5.570  -5.570
    5   2HA   GLY   1          2HA       GLY   1 -29.011  -4.764  -4.764
    6    H    GLU   2           H        GLU   2 -26.826  -3.514  -3.514
    7    HA   GLU   2           HA       GLU   2 -25.321  -2.024  -2.024
    8   1HB   GLU   2          2HB       GLU   2 -24.214  -0.984  -0.984
    9   2HB   GLU   2          1HB       GLU   2 -25.954  -0.844  -0.844
   10   1HG   GLU   2          2HG       GLU   2 -25.899  -1.745  -1.745
   11   2HG   GLU   2          1HG       GLU   2 -25.451  -3.285  -3.285
   12   1HN   CGU   3           HN       GLA   3 -24.926  -4.841  -4.841
   13    HA   CGU   3           HA       GLA   3 -22.087  -5.067  -5.067
   14   1HB   CGU   3          1HB       GLA   3 -22.574  -7.503  -7.503
   15   2HB   CGU   3          2HB       GLA   3 -24.243  -7.212  -7.212
   16    HG   CGU   3           HG       GLA   3 -23.823  -5.206  -5.206
   17   1HN   CGU   4           HN       GLA   4 -24.444  -6.559  -6.559
   18    HA   CGU   4           HA       GLA   4 -22.643  -7.804  -7.804
   19   1HB   CGU   4          1HB       GLA   4 -24.903  -8.566  -8.566
   20   2HB   CGU   4          2HB       GLA   4 -24.696  -7.812  -7.812
   21    HG   CGU   4           HG       GLA   4 -25.510  -5.758  -5.758
   22    H    TYR   5           H        TYR   5 -24.079  -4.632  -4.632
   23    HA   TYR   5           HA       TYR   5 -23.250  -3.806  -3.806
   24   1HB   TYR   5          2HB       TYR   5 -25.067  -2.809  -2.809
   25   2HB   TYR   5          1HB       TYR   5 -23.720  -1.799  -1.799
   26    HD1  TYR   5           HD2      TYR   5 -25.418  -3.022  -3.022
   27    HD2  TYR   5           HD1      TYR   5 -23.343   0.185   0.185
   28    HE1  TYR   5           HE2      TYR   5 -25.791  -1.615  -1.615
   29    HE2  TYR   5           HE1      TYR   5 -23.720   1.589   1.589
   30    HH   TYR   5           HH       TYR   5 -25.724   1.462   1.462
   31    H    GLN   6           H        GLN   6 -21.737  -3.915  -3.915
   32    HA   GLN   6           HA       GLN   6 -19.685  -1.980  -1.980
   33   1HB   GLN   6          2HB       GLN   6 -20.386  -3.484  -3.484
   34   2HB   GLN   6          1HB       GLN   6 -19.202  -4.604  -4.604
   35   1HG   GLN   6          2HG       GLN   6 -17.576  -2.532  -2.532
   36   2HG   GLN   6          1HG       GLN   6 -18.759  -1.791  -1.791
   37   1HE2  GLN   6          2HE2      GLN   6 -16.555  -4.987  -4.987
   38   2HE2  GLN   6          1HE2      GLN   6 -16.688  -4.690  -4.690
   39    H    LYS   7           H        LYS   7 -20.022  -5.212  -5.212
   40    HA   LYS   7           HA       LYS   7 -17.336  -5.739  -5.739
   41   1HB   LYS   7          2HB       LYS   7 -19.501  -7.272  -7.272
   42   2HB   LYS   7          1HB       LYS   7 -19.733  -6.794  -6.794
   43   1HG   LYS   7          2HG       LYS   7 -17.602  -7.736  -7.736
   44   2HG   LYS   7          1HG       LYS   7 -17.092  -7.927  -7.927
   45   1HD   LYS   7          2HD       LYS   7 -17.757 -10.107 -10.107
   46   2HD   LYS   7          1HD       LYS   7 -19.244  -9.474  -9.474
   47   1HE   LYS   7          2HE       LYS   7 -18.804  -9.238  -9.238
   48   2HE   LYS   7          1HE       LYS   7 -19.246 -10.798 -10.798
   49   1HZ   LYS   7          2HZ       LYS   7 -21.063  -9.457  -9.457
   50   2HZ   LYS   7          1HZ       LYS   7 -20.771  -8.295  -8.295
   51   3HZ   LYS   7          3HZ       LYS   7 -21.260  -9.863  -9.863
   52    H    MET   8           H        MET   8 -20.073  -4.378  -4.378
   53    HA   MET   8           HA       MET   8 -18.640  -3.918  -3.918
   54   1HB   MET   8          2HB       MET   8 -21.237  -4.018  -4.018
   55   2HB   MET   8          1HB       MET   8 -21.080  -2.333  -2.333
   56   1HG   MET   8          2HG       MET   8 -19.933  -3.262  -3.262
   57   2HG   MET   8          1HG       MET   8 -21.647  -3.052  -3.052
   58   1HE   MET   8          2HE       MET   8 -22.875  -1.219  -1.219
   59   2HE   MET   8          1HE       MET   8 -22.512  -0.303  -0.303
   60   3HE   MET   8          3HE       MET   8 -22.379   0.450   0.450
   61    H    LEU   9           H        LEU   9 -19.330  -1.999  -1.999
   62    HA   LEU   9           HA       LEU   9 -18.379   0.484   0.484
   63   1HB   LEU   9          2HB       LEU   9 -19.292  -0.632  -0.632
   64   2HB   LEU   9          1HB       LEU   9 -17.726   0.058   0.058
   65    HG   LEU   9           HG       LEU   9 -20.084   1.424   1.424
   66   1HD1  LEU   9          3HD1      LEU   9 -20.155   1.130   1.130
   67   2HD1  LEU   9          2HD1      LEU   9 -18.623   1.980   1.980
   68   3HD1  LEU   9          1HD1      LEU   9 -20.054   2.828   2.828
   69   1HD2  LEU   9          2HD2      LEU   9 -17.177   2.300   2.300
   70   2HD2  LEU   9          1HD2      LEU   9 -18.296   2.589   2.589
   71   3HD2  LEU   9          3HD2      LEU   9 -18.412   3.534   3.534
   72   1HN   CGU  10           HN       GLA  10 -16.741  -2.183  -2.183
   73    HA   CGU  10           HA       GLA  10 -14.195  -1.112  -1.112
   74   1HB   CGU  10          1HB       GLA  10 -13.769  -3.799  -3.799
   75   2HB   CGU  10          2HB       GLA  10 -15.414  -3.774  -3.774
   76    HG   CGU  10           HG       GLA  10 -14.367  -2.429  -2.429
   77    H    ASN  11           H        ASN  11 -15.637  -2.282  -2.282
   78    HA   ASN  11           HA       ASN  11 -13.181  -2.043  -2.043
   79   1HB   ASN  11          2HB       ASN  11 -15.217  -3.754  -3.754
   80   2HB   ASN  11          1HB       ASN  11 -15.967  -2.433  -2.433
   81   1HD2  ASN  11          2HD2      ASN  11 -14.255  -3.356  -3.356
   82   2HD2  ASN  11          1HD2      ASN  11 -15.707  -2.865  -2.865
   83    H    LEU  12           H        LEU  12 -16.070  -0.238  -0.238
   84    HA   LEU  12           HA       LEU  12 -15.876   1.617   1.617
   85   1HB   LEU  12          2HB       LEU  12 -17.430   1.317   1.317
   86   2HB   LEU  12          1HB       LEU  12 -17.087   3.002   3.002
   87    HG   LEU  12           HG       LEU  12 -18.291   1.153   1.153
   88   1HD1  LEU  12          1HD1      LEU  12 -19.660   3.146   3.146
   89   2HD1  LEU  12          3HD1      LEU  12 -20.447   2.260   2.260
   90   3HD1  LEU  12          2HD1      LEU  12 -19.810   1.398   1.398
   91   1HD2  LEU  12          3HD2      LEU  12 -17.814   4.166   4.166
   92   2HD2  LEU  12          2HD2      LEU  12 -17.272   3.063   3.063
   93   3HD2  LEU  12          1HD2      LEU  12 -18.970   3.475   3.475
   94    H    ARG  13           H        ARG  13 -14.903   2.026   2.026
   95    HA   ARG  13           HA       ARG  13 -13.676   4.575   4.575
   96   1HB   ARG  13          2HB       ARG  13 -12.334   3.944   3.944
   97   2HB   ARG  13          1HB       ARG  13 -14.068   3.979   3.979
   98   1HG   ARG  13          2HG       ARG  13 -14.263   1.753   1.753
   99   2HG   ARG  13          1HG       ARG  13 -12.996   1.293   1.293
  100   1HD   ARG  13          2HD       ARG  13 -12.510   2.515   2.515
  101   2HD   ARG  13          1HD       ARG  13 -12.391   0.811   0.811
  102    HE   ARG  13           HE       ARG  13 -10.467   2.902   2.902
  103   1HH1  ARG  13          1HH2      ARG  13 -11.651  -0.306  -0.306
  104   2HH1  ARG  13          2HH2      ARG  13 -10.169  -0.854  -0.854
  105   1HH2  ARG  13          2HH1      ARG  13  -8.601   2.252   2.252
  106   2HH2  ARG  13          1HH1      ARG  13  -8.396   0.627   0.627
  107   1HN   CGU  14           HN       GLA  14 -12.506   1.258   1.258
  108    HA   CGU  14           HA       GLA  14  -9.759   1.859   1.859
  109   1HB   CGU  14          1HB       GLA  14 -10.599  -0.439  -0.439
  110   2HB   CGU  14          2HB       GLA  14 -11.464  -0.466  -0.466
  111    HG   CGU  14           HG       GLA  14  -9.312  -0.154  -0.154
  112    H    ALA  15           H        ALA  15 -12.539   1.899   1.899
  113    HA   ALA  15           HA       ALA  15 -11.094   2.160   2.160
  114   1HB   ALA  15          1HB       ALA  15 -13.514   1.364   1.364
  115   2HB   ALA  15          3HB       ALA  15 -13.958   3.033   3.033
  116   3HB   ALA  15          2HB       ALA  15 -13.266   2.589   2.589
  117    H    GLU  16           H        GLU  16 -12.248   4.343   4.343
  118    HA   GLU  16           HA       GLU  16 -11.945   6.745   6.745
  119   1HB   GLU  16          2HB       GLU  16 -13.451   6.449   6.449
  120   2HB   GLU  16          1HB       GLU  16 -12.002   6.606   6.606
  121   1HG   GLU  16          2HG       GLU  16 -11.584   8.852   8.852
  122   2HG   GLU  16          1HG       GLU  16 -12.749   8.681   8.681
  123    H    VAL  17           H        VAL  17  -9.903   4.957   4.957
  124    HA   VAL  17           HA       VAL  17  -7.917   6.823   6.823
  125    HB   VAL  17           HB       VAL  17  -7.687   3.809   3.809
  126   1HG1  VAL  17          2HG1      VAL  17  -5.700   5.771   5.771
  127   2HG1  VAL  17          1HG1      VAL  17  -5.618   4.036   4.036
  128   3HG1  VAL  17          3HG1      VAL  17  -5.426   4.676   4.676
  129   1HG2  VAL  17          3HG2      VAL  17  -9.052   5.225   5.225
  130   2HG2  VAL  17          2HG2      VAL  17  -8.508   3.564   3.564
  131   3HG2  VAL  17          1HG2      VAL  17  -7.514   4.856   4.856
  132    H    LYS  18           H        LYS  18  -8.427   4.872   4.872
  133    HA   LYS  18           HA       LYS  18  -5.946   5.306   5.306
  134   1HB   LYS  18          2HB       LYS  18  -8.704   4.415   4.415
  135   2HB   LYS  18          1HB       LYS  18  -7.723   5.006   5.006
  136   1HG   LYS  18          2HG       LYS  18  -6.182   3.161   3.161
  137   2HG   LYS  18          1HG       LYS  18  -7.668   2.424   2.424
  138   1HD   LYS  18          2HD       LYS  18  -6.914   3.430   3.430
  139   2HD   LYS  18          1HD       LYS  18  -5.330   3.434   3.434
  140   1HE   LYS  18          2HE       LYS  18  -6.848   0.878   0.878
  141   2HE   LYS  18          1HE       LYS  18  -6.426   1.279   1.279
  142   1HZ   LYS  18          3HZ       LYS  18  -4.135   1.541   1.541
  143   2HZ   LYS  18          2HZ       LYS  18  -4.537   1.158   1.158
  144   3HZ   LYS  18          1HZ       LYS  18  -4.712  -0.009  -0.009
  145    H    LYS  19           H        LYS  19  -9.068   6.889   6.889
  146    HA   LYS  19           HA       LYS  19  -7.931   8.966   8.966
  147   1HB   LYS  19          2HB       LYS  19 -10.194  10.012  10.012
  148   2HB   LYS  19          1HB       LYS  19 -10.271   8.321   8.321
  149   1HG   LYS  19          2HG       LYS  19 -11.061   7.639   7.639
  150   2HG   LYS  19          1HG       LYS  19 -10.456   9.067   9.067
  151   1HD   LYS  19          2HD       LYS  19 -12.573   9.442   9.442
  152   2HD   LYS  19          1HD       LYS  19 -13.052   8.804   8.804
  153   1HE   LYS  19          2HE       LYS  19 -11.845  10.784  10.784
  154   2HE   LYS  19          1HE       LYS  19 -11.653  11.455  11.455
  155   1HZ   LYS  19          3HZ       LYS  19 -14.260  10.692  10.692
  156   2HZ   LYS  19          2HZ       LYS  19 -13.616  12.263  12.263
  157   3HZ   LYS  19          1HZ       LYS  19 -13.991  11.537  11.537
  158    H    ASN  20           H        ASN  20  -8.040   8.568   8.568
  159    HA   ASN  20           HA       ASN  20  -8.061  11.392  11.392
  160   1HB   ASN  20          2HB       ASN  20  -8.806   9.442   9.442
  161   2HB   ASN  20          1HB       ASN  20  -7.102   9.065   9.065
  162   1HD2  ASN  20          2HD2      ASN  20  -8.605  12.556  12.556
  163   2HD2  ASN  20          1HD2      ASN  20  -9.368  11.855  11.855
  164    H    ALA  21           H        ALA  21  -5.811   9.522   9.522
  165    HA   ALA  21           HA       ALA  21  -3.386  10.483  10.483
  166   1HB   ALA  21          1HB       ALA  21  -3.632   8.254   8.254
  167   2HB   ALA  21          3HB       ALA  21  -3.669   9.143   9.143
  168   3HB   ALA  21          2HB       ALA  21  -2.232   9.191   9.191
  169   1HN   NH2  22          1HT       ALA  21  -5.269  12.578  12.578
  170   2HN   NH2  22          2HT       ALA  21  -4.333  13.482  13.482

  Start of MODEL   16
    1   1H    GLY   1          2H        GLY   1 -30.147  -5.512  -5.512
    2   2H    GLY   1          1H        GLY   1 -29.420  -6.999  -6.999
    3   3H    GLY   1          3H        GLY   1 -30.744  -6.964  -6.964
    4   1HA   GLY   1          1HA       GLY   1 -29.524  -5.959  -5.959
    5   2HA   GLY   1          2HA       GLY   1 -28.556  -7.341  -7.341
    6    H    GLU   2           H        GLU   2 -27.404  -5.235  -5.235
    7    HA   GLU   2           HA       GLU   2 -26.312  -3.286  -3.286
    8   1HB   GLU   2          2HB       GLU   2 -25.401  -3.784  -3.784
    9   2HB   GLU   2          1HB       GLU   2 -25.176  -2.339  -2.339
   10   1HG   GLU   2          2HG       GLU   2 -27.149  -1.497  -1.497
   11   2HG   GLU   2          1HG       GLU   2 -28.024  -2.834  -2.834
   12   1HN   CGU   3           HN       GLA   3 -25.231  -6.377  -6.377
   13    HA   CGU   3           HA       GLA   3 -22.434  -6.020  -6.020
   14   1HB   CGU   3          1HB       GLA   3 -23.729  -7.992  -7.992
   15   2HB   CGU   3          2HB       GLA   3 -22.301  -8.390  -8.390
   16    HG   CGU   3           HG       GLA   3 -24.409  -9.780  -9.780
   17   1HN   CGU   4           HN       GLA   4 -24.799  -6.020  -6.020
   18    HA   CGU   4           HA       GLA   4 -22.980  -6.887  -6.887
   19   1HB   CGU   4          1HB       GLA   4 -25.189  -5.677  -5.677
   20   2HB   CGU   4          2HB       GLA   4 -25.857  -6.183  -6.183
   21    HG   CGU   4           HG       GLA   4 -25.114  -8.513  -8.513
   22    H    TYR   5           H        TYR   5 -24.272  -3.914  -3.914
   23    HA   TYR   5           HA       TYR   5 -23.163  -2.194  -2.194
   24   1HB   TYR   5          2HB       TYR   5 -25.099  -1.585  -1.585
   25   2HB   TYR   5          1HB       TYR   5 -23.896  -1.365  -1.365
   26    HD1  TYR   5           HD2      TYR   5 -24.237  -0.405  -0.405
   27    HD2  TYR   5           HD1      TYR   5 -23.240   0.904   0.904
   28    HE1  TYR   5           HE2      TYR   5 -23.768   1.834   1.834
   29    HE2  TYR   5           HE1      TYR   5 -22.775   3.145   3.145
   30    HH   TYR   5           HH       TYR   5 -23.816   4.372   4.372
   31    H    GLN   6           H        GLN   6 -21.723  -3.847  -3.847
   32    HA   GLN   6           HA       GLN   6 -19.557  -1.893  -1.893
   33   1HB   GLN   6          2HB       GLN   6 -20.740  -3.802  -3.802
   34   2HB   GLN   6          1HB       GLN   6 -19.265  -4.625  -4.625
   35   1HG   GLN   6          2HG       GLN   6 -17.912  -2.714  -2.714
   36   2HG   GLN   6          1HG       GLN   6 -19.373  -1.808  -1.808
   37   1HE2  GLN   6          2HE2      GLN   6 -20.207  -4.057  -4.057
   38   2HE2  GLN   6          1HE2      GLN   6 -20.977  -3.295  -3.295
   39    H    LYS   7           H        LYS   7 -19.916  -5.155  -5.155
   40    HA   LYS   7           HA       LYS   7 -17.175  -5.489  -5.489
   41   1HB   LYS   7          2HB       LYS   7 -19.562  -7.063  -7.063
   42   2HB   LYS   7          1HB       LYS   7 -19.075  -6.911  -6.911
   43   1HG   LYS   7          2HG       LYS   7 -16.664  -7.532  -7.532
   44   2HG   LYS   7          1HG       LYS   7 -17.603  -8.182  -8.182
   45   1HD   LYS   7          2HD       LYS   7 -18.140 -10.034 -10.034
   46   2HD   LYS   7          1HD       LYS   7 -18.830  -9.085  -9.085
   47   1HE   LYS   7          2HE       LYS   7 -15.977  -8.853  -8.853
   48   2HE   LYS   7          1HE       LYS   7 -16.304 -10.537 -10.537
   49   1HZ   LYS   7          1HZ       LYS   7 -18.209  -9.627  -9.627
   50   2HZ   LYS   7          3HZ       LYS   7 -16.667  -9.171  -9.171
   51   3HZ   LYS   7          2HZ       LYS   7 -17.000 -10.800 -10.800
   52    H    MET   8           H        MET   8 -20.021  -4.419  -4.419
   53    HA   MET   8           HA       MET   8 -18.659  -3.964  -3.964
   54   1HB   MET   8          2HB       MET   8 -20.687  -2.689  -2.689
   55   2HB   MET   8          1HB       MET   8 -21.149  -4.131  -4.131
   56   1HG   MET   8          2HG       MET   8 -22.465  -2.572  -2.572
   57   2HG   MET   8          1HG       MET   8 -21.082  -2.561  -2.561
   58   1HE   MET   8          1HE       MET   8 -22.396  -0.955  -0.955
   59   2HE   MET   8          3HE       MET   8 -23.540  -0.426  -0.426
   60   3HE   MET   8          2HE       MET   8 -22.488   0.730   0.730
   61    H    LEU   9           H        LEU   9 -18.977  -2.077  -2.077
   62    HA   LEU   9           HA       LEU   9 -18.094   0.421   0.421
   63   1HB   LEU   9          2HB       LEU   9 -18.807  -0.646  -0.646
   64   2HB   LEU   9          1HB       LEU   9 -17.286   0.175   0.175
   65    HG   LEU   9           HG       LEU   9 -19.868   1.301   1.301
   66   1HD1  LEU   9          1HD1      LEU   9 -19.462   1.142   1.142
   67   2HD1  LEU   9          3HD1      LEU   9 -18.042   2.154   2.154
   68   3HD1  LEU   9          2HD1      LEU   9 -19.643   2.807   2.807
   69   1HD2  LEU   9          3HD2      LEU   9 -17.015   2.319   2.319
   70   2HD2  LEU   9          2HD2      LEU   9 -18.362   2.531   2.531
   71   3HD2  LEU   9          1HD2      LEU   9 -18.241   3.521   3.521
   72   1HN   CGU  10           HN       GLA  10 -16.422  -2.312  -2.312
   73    HA   CGU  10           HA       GLA  10 -13.844  -1.156  -1.156
   74   1HB   CGU  10          1HB       GLA  10 -13.429  -3.878  -3.878
   75   2HB   CGU  10          2HB       GLA  10 -15.010  -3.873  -3.873
   76    HG   CGU  10           HG       GLA  10 -14.110  -2.745  -2.745
   77    H    ASN  11           H        ASN  11 -15.681  -2.136  -2.136
   78    HA   ASN  11           HA       ASN  11 -13.429  -2.040  -2.040
   79   1HB   ASN  11          2HB       ASN  11 -15.479  -3.749  -3.749
   80   2HB   ASN  11          1HB       ASN  11 -16.309  -2.465  -2.465
   81   1HD2  ASN  11          2HD2      ASN  11 -14.524  -2.919  -2.919
   82   2HD2  ASN  11          1HD2      ASN  11 -15.646  -1.977  -1.977
   83    H    LEU  12           H        LEU  12 -16.254  -0.194  -0.194
   84    HA   LEU  12           HA       LEU  12 -16.216   1.635   1.635
   85   1HB   LEU  12          2HB       LEU  12 -17.738   1.206   1.206
   86   2HB   LEU  12          1HB       LEU  12 -17.383   2.910   2.910
   87    HG   LEU  12           HG       LEU  12 -18.595   1.268   1.268
   88   1HD1  LEU  12          3HD1      LEU  12 -20.114   1.336   1.336
   89   2HD1  LEU  12          2HD1      LEU  12 -20.009   3.088   3.088
   90   3HD1  LEU  12          1HD1      LEU  12 -20.773   2.253   2.253
   91   1HD2  LEU  12          3HD2      LEU  12 -18.239   4.257   4.257
   92   2HD2  LEU  12          2HD2      LEU  12 -17.576   3.335   3.335
   93   3HD2  LEU  12          1HD2      LEU  12 -19.301   3.638   3.638
   94    H    ARG  13           H        ARG  13 -15.273   2.117   2.117
   95    HA   ARG  13           HA       ARG  13 -13.804   4.548   4.548
   96   1HB   ARG  13          2HB       ARG  13 -14.777   3.841   3.841
   97   2HB   ARG  13          1HB       ARG  13 -13.414   2.751   2.751
   98   1HG   ARG  13          2HG       ARG  13 -11.847   4.470   4.470
   99   2HG   ARG  13          1HG       ARG  13 -12.813   5.680   5.680
  100   1HD   ARG  13          2HD       ARG  13 -14.039   4.512   4.512
  101   2HD   ARG  13          1HD       ARG  13 -12.497   5.197   5.197
  102    HE   ARG  13           HE       ARG  13 -13.182   6.810   6.810
  103   1HH1  ARG  13          1HH2      ARG  13 -14.550   6.150   6.150
  104   2HH1  ARG  13          2HH2      ARG  13 -16.251   6.124   6.124
  105   1HH2  ARG  13          2HH1      ARG  13 -16.011   6.826   6.826
  106   2HH2  ARG  13          1HH1      ARG  13 -17.088   6.529   6.529
  107   1HN   CGU  14           HN       GLA  14 -13.000   1.322   1.322
  108    HA   CGU  14           HA       GLA  14 -10.274   1.160   1.160
  109   1HB   CGU  14          1HB       GLA  14 -12.067  -0.402  -0.402
  110   2HB   CGU  14          2HB       GLA  14 -10.365  -0.745  -0.745
  111    HG   CGU  14           HG       GLA  14 -11.638   0.795   0.795
  112    H    ALA  15           H        ALA  15 -11.875   3.075   3.075
  113    HA   ALA  15           HA       ALA  15  -9.570   3.697   3.697
  114   1HB   ALA  15          1HB       ALA  15 -12.067   3.921   3.921
  115   2HB   ALA  15          3HB       ALA  15 -12.041   5.438   5.438
  116   3HB   ALA  15          2HB       ALA  15 -11.019   5.225   5.225
  117    H    GLU  16           H        GLU  16 -11.091   5.241   5.241
  118    HA   GLU  16           HA       GLU  16  -9.403   7.582   7.582
  119   1HB   GLU  16          2HB       GLU  16 -11.763   6.971   6.971
  120   2HB   GLU  16          1HB       GLU  16 -10.711   6.717   6.717
  121   1HG   GLU  16          2HG       GLU  16  -9.753   9.023   9.023
  122   2HG   GLU  16          1HG       GLU  16 -10.887   9.252   9.252
  123    H    VAL  17           H        VAL  17  -9.257   4.510   4.510
  124    HA   VAL  17           HA       VAL  17  -7.311   5.011   5.011
  125    HB   VAL  17           HB       VAL  17  -7.778   2.486   2.486
  126   1HG1  VAL  17          2HG1      VAL  17  -5.567   2.389   2.389
  127   2HG1  VAL  17          1HG1      VAL  17  -6.391   2.803   2.803
  128   3HG1  VAL  17          3HG1      VAL  17  -6.728   1.276   1.276
  129   1HG2  VAL  17          1HG2      VAL  17  -9.731   3.514   3.514
  130   2HG2  VAL  17          3HG2      VAL  17  -9.332   1.835   1.835
  131   3HG2  VAL  17          2HG2      VAL  17  -8.777   3.081   3.081
  132    H    LYS  18           H        LYS  18  -7.002   4.601   4.601
  133    HA   LYS  18           HA       LYS  18  -4.346   3.932   3.932
  134   1HB   LYS  18          2HB       LYS  18  -6.311   4.409   4.409
  135   2HB   LYS  18          1HB       LYS  18  -5.776   6.073   6.073
  136   1HG   LYS  18          2HG       LYS  18  -3.956   5.658   5.658
  137   2HG   LYS  18          1HG       LYS  18  -3.548   4.173   4.173
  138   1HD   LYS  18          2HD       LYS  18  -5.999   3.682   3.682
  139   2HD   LYS  18          1HD       LYS  18  -4.933   4.566   4.566
  140   1HE   LYS  18          2HE       LYS  18  -4.126   2.460   2.460
  141   2HE   LYS  18          1HE       LYS  18  -3.145   2.735   2.735
  142   1HZ   LYS  18          2HZ       LYS  18  -5.842   1.584   1.584
  143   2HZ   LYS  18          1HZ       LYS  18  -4.520   0.609   0.609
  144   3HZ   LYS  18          3HZ       LYS  18  -4.514   1.446   1.446
  145    H    LYS  19           H        LYS  19  -5.625   7.184   7.184
  146    HA   LYS  19           HA       LYS  19  -2.996   8.441   8.441
  147   1HB   LYS  19          2HB       LYS  19  -5.807   9.290   9.290
  148   2HB   LYS  19          1HB       LYS  19  -4.857  10.227  10.227
  149   1HG   LYS  19          2HG       LYS  19  -3.380  11.019  11.019
  150   2HG   LYS  19          1HG       LYS  19  -3.897   9.799   9.799
  151   1HD   LYS  19          2HD       LYS  19  -6.158  11.472  11.472
  152   2HD   LYS  19          1HD       LYS  19  -4.889  12.433  12.433
  153   1HE   LYS  19          2HE       LYS  19  -5.007  11.222  11.222
  154   2HE   LYS  19          1HE       LYS  19  -5.979   9.941   9.941
  155   1HZ   LYS  19          3HZ       LYS  19  -7.523  12.031  12.031
  156   2HZ   LYS  19          2HZ       LYS  19  -6.764  12.568  12.568
  157   3HZ   LYS  19          1HZ       LYS  19  -7.622  11.104  11.104
  158    H    ASN  20           H        ASN  20  -5.186   7.270   7.270
  159    HA   ASN  20           HA       ASN  20  -4.026   8.423   8.423
  160   1HB   ASN  20          2HB       ASN  20  -5.969   6.345   6.345
  161   2HB   ASN  20          1HB       ASN  20  -4.984   5.801   5.801
  162   1HD2  ASN  20          2HD2      ASN  20  -7.592   8.895   8.895
  163   2HD2  ASN  20          1HD2      ASN  20  -7.273   8.267   8.267
  164    H    ALA  21           H        ALA  21  -3.020   5.882   5.882
  165    HA   ALA  21           HA       ALA  21  -1.135   4.615   4.615
  166   1HB   ALA  21          2HB       ALA  21  -2.193   4.097   4.097
  167   2HB   ALA  21          1HB       ALA  21  -0.455   4.205   4.205
  168   3HB   ALA  21          3HB       ALA  21  -1.149   3.062   3.062
  169   1HN   NH2  22          1HT       ALA  21  -0.840   6.988   6.988
  170   2HN   NH2  22          2HT       ALA  21   0.711   7.533   7.533

  Start of MODEL   17
    1   1H    GLY   1          3H        GLY   1 -28.438  -3.673  -3.673
    2   2H    GLY   1          2H        GLY   1 -29.149  -5.059  -5.059
    3   3H    GLY   1          1H        GLY   1 -30.122  -3.891  -3.891
    4   1HA   GLY   1          1HA       GLY   1 -30.156  -2.540  -2.540
    5   2HA   GLY   1          2HA       GLY   1 -29.803  -4.055  -4.055
    6    H    GLU   2           H        GLU   2 -29.124  -2.216  -2.216
    7    HA   GLU   2           HA       GLU   2 -26.631  -0.858  -0.858
    8   1HB   GLU   2          2HB       GLU   2 -28.673  -0.279  -0.279
    9   2HB   GLU   2          1HB       GLU   2 -27.762  -1.212  -1.212
   10   1HG   GLU   2          2HG       GLU   2 -25.744   0.372   0.372
   11   2HG   GLU   2          1HG       GLU   2 -27.032   1.404   1.404
   12   1HN   CGU   3           HN       GLA   3 -27.450  -3.790  -3.790
   13    HA   CGU   3           HA       GLA   3 -24.949  -4.151  -4.151
   14   1HB   CGU   3          1HB       GLA   3 -27.487  -5.395  -5.395
   15   2HB   CGU   3          2HB       GLA   3 -26.183  -5.776  -5.776
   16    HG   CGU   3           HG       GLA   3 -26.462  -7.112  -7.112
   17   1HN   CGU   4           HN       GLA   4 -26.177  -5.539  -5.539
   18    HA   CGU   4           HA       GLA   4 -23.913  -7.121  -7.121
   19   1HB   CGU   4          1HB       GLA   4 -25.988  -7.794  -7.794
   20   2HB   CGU   4          2HB       GLA   4 -25.154  -7.136  -7.136
   21    HG   CGU   4           HG       GLA   4 -26.455  -4.925  -4.925
   22    H    TYR   5           H        TYR   5 -24.802  -3.828  -3.828
   23    HA   TYR   5           HA       TYR   5 -23.038  -3.381  -3.381
   24   1HB   TYR   5          2HB       TYR   5 -24.822  -1.786  -1.786
   25   2HB   TYR   5          1HB       TYR   5 -24.070  -1.446  -1.446
   26    HD1  TYR   5           HD1      TYR   5 -23.514  -1.205  -1.205
   27    HD2  TYR   5           HD2      TYR   5 -22.334   0.192   0.192
   28    HE1  TYR   5           HE1      TYR   5 -22.148   0.537   0.537
   29    HE2  TYR   5           HE2      TYR   5 -20.973   1.928   1.928
   30    HH   TYR   5           HH       TYR   5 -20.851   3.144   3.144
   31    H    GLN   6           H        GLN   6 -22.381  -3.893  -3.893
   32    HA   GLN   6           HA       GLN   6 -19.975  -2.413  -2.413
   33   1HB   GLN   6          2HB       GLN   6 -21.568  -3.831  -3.831
   34   2HB   GLN   6          1HB       GLN   6 -20.377  -5.077  -5.077
   35   1HG   GLN   6          2HG       GLN   6 -19.596  -3.897  -3.897
   36   2HG   GLN   6          1HG       GLN   6 -18.599  -3.278  -3.278
   37   1HE2  GLN   6          2HE2      GLN   6 -21.647  -0.858  -0.858
   38   2HE2  GLN   6          1HE2      GLN   6 -21.874  -2.538  -2.538
   39    H    LYS   7           H        LYS   7 -20.519  -4.802  -4.802
   40    HA   LYS   7           HA       LYS   7 -17.780  -5.990  -5.990
   41   1HB   LYS   7          2HB       LYS   7 -19.894  -7.416  -7.416
   42   2HB   LYS   7          1HB       LYS   7 -20.172  -6.561  -6.561
   43   1HG   LYS   7          2HG       LYS   7 -17.460  -7.841  -7.841
   44   2HG   LYS   7          1HG       LYS   7 -18.828  -8.896  -8.896
   45   1HD   LYS   7          2HD       LYS   7 -19.356  -7.279  -7.279
   46   2HD   LYS   7          1HD       LYS   7 -17.690  -6.772  -6.772
   47   1HE   LYS   7          2HE       LYS   7 -18.383  -9.722  -9.722
   48   2HE   LYS   7          1HE       LYS   7 -18.187  -8.737  -8.737
   49   1HZ   LYS   7          1HZ       LYS   7 -16.151  -8.812  -8.812
   50   2HZ   LYS   7          3HZ       LYS   7 -16.160  -9.922  -9.922
   51   3HZ   LYS   7          2HZ       LYS   7 -15.987  -8.261  -8.261
   52    H    MET   8           H        MET   8 -20.011  -4.219  -4.219
   53    HA   MET   8           HA       MET   8 -18.087  -3.571  -3.571
   54   1HB   MET   8          2HB       MET   8 -20.897  -3.603  -3.603
   55   2HB   MET   8          1HB       MET   8 -20.527  -1.902  -1.902
   56   1HG   MET   8          2HG       MET   8 -19.285  -2.361  -2.361
   57   2HG   MET   8          1HG       MET   8 -19.496  -4.074  -4.074
   58   1HE   MET   8          3HE       MET   8 -21.370  -0.774  -0.774
   59   2HE   MET   8          2HE       MET   8 -20.853  -1.000  -1.000
   60   3HE   MET   8          1HE       MET   8 -22.560  -1.048  -1.048
   61    H    LEU   9           H        LEU   9 -18.833  -2.095  -2.095
   62    HA   LEU   9           HA       LEU   9 -18.284   0.599   0.599
   63   1HB   LEU   9          2HB       LEU   9 -19.069   0.648   0.648
   64   2HB   LEU   9          1HB       LEU   9 -19.230  -1.050  -1.050
   65    HG   LEU   9           HG       LEU   9 -18.397  -0.349  -0.349
   66   1HD1  LEU   9          3HD1      LEU   9 -17.193  -2.381  -2.381
   67   2HD1  LEU   9          2HD1      LEU   9 -15.818  -1.537  -1.537
   68   3HD1  LEU   9          1HD1      LEU   9 -17.130  -2.058  -2.058
   69   1HD2  LEU   9          2HD2      LEU   9 -17.170   1.787   1.787
   70   2HD2  LEU   9          1HD2      LEU   9 -16.425   1.033   1.033
   71   3HD2  LEU   9          3HD2      LEU   9 -15.768   0.750   0.750
   72   1HN   CGU  10           HN       GLA  10 -16.557  -1.973  -1.973
   73    HA   CGU  10           HA       GLA  10 -13.973  -0.905  -0.905
   74   1HB   CGU  10          1HB       GLA  10 -15.200  -3.445  -3.445
   75   2HB   CGU  10          2HB       GLA  10 -13.604  -3.014  -3.014
   76    HG   CGU  10           HG       GLA  10 -14.226  -4.085  -4.085
   77    H    ASN  11           H        ASN  11 -15.382  -2.436  -2.436
   78    HA   ASN  11           HA       ASN  11 -13.037  -1.941  -1.941
   79   1HB   ASN  11          2HB       ASN  11 -14.938  -3.874  -3.874
   80   2HB   ASN  11          1HB       ASN  11 -15.701  -2.750  -2.750
   81   1HD2  ASN  11          2HD2      ASN  11 -13.250  -3.173  -3.173
   82   2HD2  ASN  11          1HD2      ASN  11 -14.496  -2.171  -2.171
   83    H    LEU  12           H        LEU  12 -15.818  -0.141  -0.141
   84    HA   LEU  12           HA       LEU  12 -15.935   1.404   1.404
   85   1HB   LEU  12          2HB       LEU  12 -17.238   1.414   1.414
   86   2HB   LEU  12          1HB       LEU  12 -17.203   2.962   2.962
   87    HG   LEU  12           HG       LEU  12 -19.086   0.907   0.907
   88   1HD1  LEU  12          1HD1      LEU  12 -18.567   3.397   3.397
   89   2HD1  LEU  12          3HD1      LEU  12 -20.058   2.474   2.474
   90   3HD1  LEU  12          2HD1      LEU  12 -19.596   3.299   3.299
   91   1HD2  LEU  12          1HD2      LEU  12 -17.575  -0.246  -0.246
   92   2HD2  LEU  12          3HD2      LEU  12 -19.120   0.262   0.262
   93   3HD2  LEU  12          2HD2      LEU  12 -17.681   1.194   1.194
   94    H    ARG  13           H        ARG  13 -14.611   2.052   2.052
   95    HA   ARG  13           HA       ARG  13 -13.598   4.668   4.668
   96   1HB   ARG  13          2HB       ARG  13 -12.796   2.598   2.598
   97   2HB   ARG  13          1HB       ARG  13 -12.098   4.209   4.209
   98   1HG   ARG  13          2HG       ARG  13 -14.175   5.277   5.277
   99   2HG   ARG  13          1HG       ARG  13 -15.111   3.856   3.856
  100   1HD   ARG  13          2HD       ARG  13 -14.513   4.613   4.613
  101   2HD   ARG  13          1HD       ARG  13 -14.863   2.957   2.957
  102    HE   ARG  13           HE       ARG  13 -12.210   4.078   4.078
  103   1HH1  ARG  13          1HH2      ARG  13 -14.052   1.369   1.369
  104   2HH1  ARG  13          2HH2      ARG  13 -12.780   0.257   0.257
  105   1HH2  ARG  13          2HH1      ARG  13 -10.607   2.629   2.629
  106   2HH2  ARG  13          1HH1      ARG  13 -10.845   0.950   0.950
  107   1HN   CGU  14           HN       GLA  14 -12.273   1.415   1.415
  108    HA   CGU  14           HA       GLA  14  -9.619   2.129   2.129
  109   1HB   CGU  14          1HB       GLA  14 -10.222  -0.498  -0.498
  110   2HB   CGU  14          2HB       GLA  14 -11.214  -0.295  -0.295
  111    HG   CGU  14           HG       GLA  14  -9.036   0.645   0.645
  112    H    ALA  15           H        ALA  15 -12.521   1.258   1.258
  113    HA   ALA  15           HA       ALA  15 -11.288   1.222   1.222
  114   1HB   ALA  15          1HB       ALA  15 -14.188   1.601   1.601
  115   2HB   ALA  15          3HB       ALA  15 -13.697   1.466   1.466
  116   3HB   ALA  15          2HB       ALA  15 -13.432   0.122   0.122
  117    H    GLU  16           H        GLU  16 -12.554   3.676   3.676
  118    HA   GLU  16           HA       GLU  16 -12.870   5.763   5.763
  119   1HB   GLU  16          2HB       GLU  16 -13.245   5.455   5.455
  120   2HB   GLU  16          1HB       GLU  16 -12.120   6.781   6.781
  121   1HG   GLU  16          2HG       GLU  16 -13.651   7.968   7.968
  122   2HG   GLU  16          1HG       GLU  16 -14.749   6.597   6.597
  123    H    VAL  17           H        VAL  17 -10.150   4.658   4.658
  124    HA   VAL  17           HA       VAL  17  -8.377   6.769   6.769
  125    HB   VAL  17           HB       VAL  17  -7.806   3.753   3.753
  126   1HG1  VAL  17          3HG1      VAL  17  -5.915   6.121   6.121
  127   2HG1  VAL  17          2HG1      VAL  17  -5.529   4.479   4.479
  128   3HG1  VAL  17          1HG1      VAL  17  -5.785   4.857   4.857
  129   1HG2  VAL  17          1HG2      VAL  17  -9.056   4.786   4.786
  130   2HG2  VAL  17          3HG2      VAL  17  -7.504   4.094   4.094
  131   3HG2  VAL  17          2HG2      VAL  17  -7.676   5.834   5.834
  132    H    LYS  18           H        LYS  18  -9.072   4.056   4.056
  133    HA   LYS  18           HA       LYS  18  -7.084   4.461   4.461
  134   1HB   LYS  18          2HB       LYS  18  -9.878   3.264   3.264
  135   2HB   LYS  18          1HB       LYS  18  -8.777   3.264   3.264
  136   1HG   LYS  18          2HG       LYS  18  -7.078   2.057   2.057
  137   2HG   LYS  18          1HG       LYS  18  -8.271   1.964   1.964
  138   1HD   LYS  18          2HD       LYS  18  -9.821   0.758   0.758
  139   2HD   LYS  18          1HD       LYS  18  -8.588   0.824   0.824
  140   1HE   LYS  18          2HE       LYS  18  -7.914  -1.202  -1.202
  141   2HE   LYS  18          1HE       LYS  18  -7.184  -0.311  -0.311
  142   1HZ   LYS  18          1HZ       LYS  18  -9.554  -0.457  -0.457
  143   2HZ   LYS  18          3HZ       LYS  18  -9.734  -1.753  -1.753
  144   3HZ   LYS  18          2HZ       LYS  18  -8.513  -1.795  -1.795
  145    H    LYS  19           H        LYS  19 -10.508   5.458   5.458
  146    HA   LYS  19           HA       LYS  19 -10.102   7.108   7.108
  147   1HB   LYS  19          2HB       LYS  19 -12.399   7.826   7.826
  148   2HB   LYS  19          1HB       LYS  19 -12.296   6.109   6.109
  149   1HG   LYS  19          2HG       LYS  19 -12.831   6.266   6.266
  150   2HG   LYS  19          1HG       LYS  19 -11.918   7.733   7.733
  151   1HD   LYS  19          2HD       LYS  19 -13.791   8.941   8.941
  152   2HD   LYS  19          1HD       LYS  19 -14.048   8.550   8.550
  153   1HE   LYS  19          2HE       LYS  19 -14.905   6.419   6.419
  154   2HE   LYS  19          1HE       LYS  19 -15.813   7.917   7.917
  155   1HZ   LYS  19          3HZ       LYS  19 -15.938   7.711   7.711
  156   2HZ   LYS  19          2HZ       LYS  19 -15.409   6.110   6.110
  157   3HZ   LYS  19          1HZ       LYS  19 -16.868   6.621   6.621
  158    H    ASN  20           H        ASN  20  -9.467   7.679   7.679
  159    HA   ASN  20           HA       ASN  20  -9.631  10.620  10.620
  160   1HB   ASN  20          2HB       ASN  20 -10.200   9.167   9.167
  161   2HB   ASN  20          1HB       ASN  20  -8.461   9.167   9.167
  162   1HD2  ASN  20          2HD2      ASN  20 -10.664  12.536  12.536
  163   2HD2  ASN  20          1HD2      ASN  20 -11.369  11.148  11.148
  164    H    ALA  21           H        ALA  21  -7.551   8.412   8.412
  165    HA   ALA  21           HA       ALA  21  -4.991   9.563   9.563
  166   1HB   ALA  21          3HB       ALA  21  -5.459   7.098   7.098
  167   2HB   ALA  21          2HB       ALA  21  -5.483   7.627   7.627
  168   3HB   ALA  21          1HB       ALA  21  -4.024   7.811   7.811
  169   1HN   NH2  22          1HT       ALA  21  -6.847  11.456  11.456
  170   2HN   NH2  22          2HT       ALA  21  -6.033  11.981  11.981