*HEADER   NEUROTOXIN                              17-APR-96   1GIB    
*TITLE    MU-CONOTOXIN GIIIB, NMR                                     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: MU-CONOTOXIN GIIIB;                              
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS;                     
*SOURCE  4 ORGANISM_COMMON: GEOGRAPHY CONE                            
*KEYWDS   CONOTOXIN, NEUROTOXIN, SODIUM CHANNEL INHIBITOR             
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   J.M.HILL,P.F.ALEWOOD,D.J.CRAIK                              
*REVDAT  1   08-NOV-96 1GIB    0                                      

! DISTANCE RESTRAINTS

! RESIDUE 1  ARG
assign (resid   1 and name  HE    )(resid   2 and name  HN    ) 0 0 6.0 ! 
assign (resid   1 and name  HA    )(resid   2 and name  HN    ) 0 0 2.7 ! 
assign (resid   1 and name  HB1	  )(resid   2 and name  HN    ) 0 0 5.0 ! 
assign (resid   1 and name  HB2   )(resid   2 and name  HN    ) 0 0 5.0 ! 
assign (resid   1 and name  HG*   )(resid   2 and name  HN    ) 0 0 6.0 ! 
assign (resid   1 and name  HD*   )(resid   1 and name  HE    ) 0 0 3.7 ! 
assign (resid   1 and name  HB1	  )(resid   1 and name  HE    ) 0 0 5.0 ! 
assign (resid   1 and name  HB2   )(resid   1 and name  HE    ) 0 0 5.0 ! 
assign (resid   1 and name  HG*   )(resid   1 and name  HE    ) 0 0 6.0 ! 
assign (resid   1 and name  HA    )(resid   1 and name  HD*   ) 0 0 6.0 ! 

! RESIDUE 2  ASP
assign (resid   2 and name  HN    )(resid   4 and name  HN    ) 0 0 6.0 ! 
assign (resid   2 and name  HN    )(resid   5 and name  HN    ) 0 0 6.0 ! 
assign (resid   2 and name  HA    )(resid   2 and name  HN    ) 0 0 3.5 ! 
assign (resid   2 and name  HB*   )(resid   2 and name  HN    ) 0 0 4.5 ! 
assign (resid   2 and name  HA    )(resid   3 and name  HN    ) 0 0 3.5 ! 
assign (resid   2 and name  HB*   )(resid   3 and name  HN    ) 0 0 4.5 ! 
assign (resid   2 and name  HA    )(resid   4 and name  HN    ) 0 0 5.0 ! 
assign (resid   2 and name  HA    )(resid   2 and name  HB*   ) 0 0 2.7 ! 
assign (resid   2 and name  HN    )(resid   5 and name  HG*   ) 0 0 7.0 ! 

! RESIDUE 3  CYS
assign (resid   3 and name  HN    )(resid   4 and name  HN    ) 0 0 2.7 ! 
assign (resid   3 and name  HN    )(resid   5 and name  HN    ) 0 0 6.0 !
assign (resid   3 and name  HA    )(resid   3 and name  HN    ) 0 0 3.5 ! 
assign (resid   3 and name  HB1	  )(resid   3 and name  HN    ) 0 0 5.0 ! 
assign (resid   3 and name  HB2   )(resid   3 and name  HN    ) 0 0 3.5 ! 
assign (resid   3 and name  HA    )(resid   9 and name  HN    ) 0 0 3.5 !
assign (resid   3 and name  HA    )(resid   4 and name  HN    ) 0 0 3.5 ! 
assign (resid   3 and name  HB1   )(resid   4 and name  HN    ) 0 0 3.5 ! 
assign (resid   3 and name  HB2   )(resid   4 and name  HN    ) 0 0 3.5 ! 
assign (resid   3 and name  HA    )(resid   3 and name  HB1   ) 0 0 3.5 !
assign (resid   3 and name  HA    )(resid   3 and name  HB2   ) 0 0 5.0 ! 
assign (resid   3 and name  HB*   )(resid  15 and name  HB1   ) 0 0 5.0 ! 
assign (resid   3 and name  HB*   )(resid  15 and name  HB2   ) 0 0 5.0 ! 
assign (resid   3 and name  HB1   )(resid   3 and name  HB2   ) 0 0 2.7 !
assign (resid   3 and name  HN    )(resid   9 and name  HB*   ) 0 0 7.0 ! 

! RESIDUE 4  CYS
assign (resid   4 and name  HA    )(resid   9 and name  HN    ) 0 0 5.0 ! 
assign (resid   4 and name  HN    )(resid   5 and name  HN    ) 0 0 2.7 ! 
assign (resid   4 and name  HA    )(resid   4 and name  HN    ) 0 0 3.5 ! 
assign (resid   4 and name  HB1   )(resid   4 and name  HN    ) 0 0 3.5 ! 
assign (resid   4 and name  HB2   )(resid   4 and name  HN    ) 0 0 2.7 ! 
assign (resid   4 and name  HB*   )(resid   5 and name  HN    ) 0 0 6.0 ! 
assign (resid   4 and name  HA    )(resid   8 and name  HE    ) 0 0 5.0 ! 
assign (resid   4 and name  HA    )(resid   8 and name  HA    ) 0 0 5.0 ! 
assign (resid   4 and name  HA    )(resid   4 and name  HB1   ) 0 0 3.5 ! 
assign (resid   4 and name  HA    )(resid   4 and name  HB2   ) 0 0 3.5 ! 
assign (resid   4 and name  HA    )(resid   8 and name  HD*   ) 0 0 6.0 ! 
assign (resid   4 and name  HB1   )(resid  20 and name  HB1   ) 0 0 5.0 ! 
assign (resid   4 and name  HB2   )(resid  20 and name  HB1   ) 0 0 5.0 ! 
assign (resid   4 and name  HB*   )(resid  20 and name  HB2   ) 0 0 6.0 ! 
assign (resid   4 and name  HB1   )(resid   4 and name  HB2   ) 0 0 2.7 ! 
assign (resid   4 and name  HA    )(resid   9 and name  HB1   ) 0 0 6.0 ! 
assign (resid   4 and name  HA    )(resid   9 and name  HB2   ) 0 0 6.0 ! 
assign (resid   4 and name  HB*   )(resid   8 and name  HN    ) 0 0 7.0 ! 

! RESIDUE 5  THR
assign (resid   5 and name  HA    )(resid   5 and name  HN    ) 0 0 3.5 ! 
assign (resid   5 and name  HB    )(resid   5 and name  HN    ) 0 0 3.5 ! 
assign (resid   5 and name  HG*   )(resid   5 and name  HN    ) 0 0 6.5 ! 
assign (resid   5 and name  HA    )(resid   6 and name  HD*   ) 0 0 3.7 ! 
assign (resid   5 and name  HA    )(resid   5 and name  HB    ) 0 0 3.5 ! 
assign (resid   5 and name  HA    )(resid   5 and name  HG*   ) 0 0 4.2 ! 
assign (resid   5 and name  HB    )(resid   6 and name  HD*   ) 0 0 6.0 !
assign (resid   5 and name  HB    )(resid   5 and name  HG*   ) 0 0 4.2 ! 

! RESIDUE 6  HYP
assign (resid   6 and name  HA    )(resid   8 and name  HA    ) 0 0 6.0 ! 
assign (resid   6 and name  HA    )(resid   6 and name  HD1*  ) 0 0 6.0 ! 
assign (resid   6 and name  HA    )(resid   6 and name  HB1   ) 0 0 3.5 ! 
assign (resid   6 and name  HA    )(resid   6 and name  HB2   ) 0 0 3.5 ! 
assign (resid   6 and name  HG    )(resid   6 and name  HD11  ) 0 0 3.5 ! 
assign (resid   6 and name  HG    )(resid   6 and name  HD12  ) 0 0 3.5 ! 
assign (resid   6 and name  HG    )(resid   6 and name  HB1   ) 0 0 3.5 ! 
assign (resid   6 and name  HG    )(resid   6 and name  HB2   ) 0 0 3.5 ! 
assign (resid   6 and name  HG    )(resid   5 and name  HG*   ) 0 0 6.5 ! 
assign (resid   6 and name  HD11  )(resid   6 and name  HD12  ) 0 0 2.7 ! 
assign (resid   6 and name  HD11  )(resid   6 and name  HB1   ) 0 0 5.0 ! 
assign (resid   6 and name  HD11  )(resid   6 and name  HB2   ) 0 0 5.0 ! 
assign (resid   6 and name  HD11  )(resid   5 and name  HG*   ) 0 0 5.0 ! 
assign (resid   6 and name  HD12  )(resid   6 and name  HB1   ) 0 0 5.0 ! 
assign (resid   6 and name  HD12  )(resid   6 and name  HB2   ) 0 0 5.0 ! 
assign (resid   6 and name  HD12  )(resid   5 and name  HG*   ) 0 0 4.2 ! 
assign (resid   6 and name  HB1   )(resid   6 and name  HB2   ) 0 0 2.7 ! 

! RESIDUE 7  HYP
assign (resid   7 and name  HA    )(resid   8 and name  HN    ) 0 0 2.7 ! 
assign (resid   7 and name  HB1   )(resid   8 and name  HN    ) 0 0 5.0 ! 
assign (resid   7 and name  HB2   )(resid   8 and name  HN    ) 0 0 5.0 ! 
assign (resid   7 and name  HA    )(resid   7 and name  HD11  ) 0 0 5.0 ! 
assign (resid   7 and name  HA    )(resid   7 and name  HD12  ) 0 0 5.0 ! 
assign (resid   7 and name  HA    )(resid   7 and name  HB1   ) 0 0 3.5 ! 
assign (resid   7 and name  HA    )(resid   7 and name  HB2   ) 0 0 3.5 ! 
assign (resid   7 and name  HG    )(resid   7 and name  HD11  ) 0 0 2.7 ! 
assign (resid   7 and name  HG    )(resid   7 and name  HD12  ) 0 0 2.7 ! 
assign (resid   7 and name  HG    )(resid   7 and name  HB1   ) 0 0 3.5 ! 
assign (resid   7 and name  HG    )(resid   7 and name  HB2   ) 0 0 3.5 ! 
assign (resid   7 and name  HD11  )(resid   7 and name  HD12  ) 0 0 2.7 ! 
assign (resid   7 and name  HD11  )(resid   7 and name  HB1   ) 0 0 5.0 ! 
assign (resid   7 and name  HD11  )(resid   7 and name  HB2   ) 0 0 5.0 ! 
assign (resid   7 and name  HD12  )(resid   7 and name  HB1   ) 0 0 5.0 ! 
assign (resid   7 and name  HD12  )(resid   7 and name  HB2   ) 0 0 5.0 ! 
assign (resid   7 and name  HB1   )(resid   7 and name  HB2   ) 0 0 5.0 ! 

! RESIDUE 8  ARG
assign (resid   8 and name  HN    )(resid   9 and name  HN    ) 0 0 5.0 ! 
assign (resid   8 and name  HE    )(resid   8 and name  HN    ) 0 0 6.0 ! 
assign (resid   8 and name  HA    )(resid   8 and name  HN    ) 0 0 3.5 ! 
assign (resid   8 and name  HD*   )(resid   8 and name  HN    ) 0 0 6.0 ! 
assign (resid   8 and name  HB1	  )(resid   8 and name  HN    ) 0 0 3.5 ! 
assign (resid   8 and name  HB2   )(resid   8 and name  HN    ) 0 0 3.5 ! 
assign (resid   8 and name  HG1   )(resid   8 and name  HN    ) 0 0 3.5 ! 
assign (resid   8 and name  HG2   )(resid   8 and name  HN    ) 0 0 3.5 ! 
assign (resid   8 and name  HA    )(resid   9 and name  HN    ) 0 0 2.7 ! 
assign (resid   8 and name  HD*   )(resid   9 and name  HN    ) 0 0 5.0 ! 
assign (resid   8 and name  HB*   )(resid   9 and name  HN    ) 0 0 6.0 ! 
assign (resid   8 and name  HG*   )(resid   9 and name  HN    ) 0 0 6.0 ! 
assign (resid   8 and name  HA    )(resid   8 and name  HE    ) 0 0 6.0 ! 
assign (resid   8 and name  HD*   )(resid   8 and name  HE    ) 0 0 3.7 ! 
assign (resid   8 and name  HB1	  )(resid   8 and name  HE    ) 0 0 5.0 ! 
assign (resid   8 and name  HB2   )(resid   8 and name  HE    ) 0 0 5.0 ! 
assign (resid   8 and name  HG1   )(resid   8 and name  HE    ) 0 0 3.5 ! 
assign (resid   8 and name  HG2   )(resid   8 and name  HE    ) 0 0 3.5 ! 
assign (resid   8 and name  HD*   )(resid   8 and name  HA    ) 0 0 6.0 ! 
assign (resid   8 and name  HB1	  )(resid   8 and name  HA    ) 0 0 3.5 ! 
assign (resid   8 and name  HB2   )(resid   8 and name  HA    ) 0 0 3.5 !
assign (resid   8 and name  HG1   )(resid   8 and name  HA    ) 0 0 3.5 ! 
assign (resid   8 and name  HG2   )(resid   8 and name  HA    ) 0 0 3.5 ! 
assign (resid   8 and name  HE    )(resid  20 and name  HB*   ) 0 0 6.0 ! 
assign (resid   8 and name  HE    )(resid  20 and name  HA    ) 0 0 5.0 ! 

! RESIDUE 9  LYS
assign (resid   9 and name  HA    )(resid  11 and name  HN    ) 0 0 5.0 ! 
assign (resid   9 and name  HN    )(resid  10 and name  HN    ) 0 0 3.5 !
assign (resid   9 and name  HA    )(resid   9 and name  HN    ) 0 0 3.5 ! 
assign (resid   9 and name  HB1	  )(resid   9 and name  HN    ) 0 0 3.5 ! 
assign (resid   9 and name  HB2   )(resid   9 and name  HN    ) 0 0 3.5 ! 
assign (resid   9 and name  HG1	  )(resid   9 and name  HN    ) 0 0 5.0 ! 
assign (resid   9 and name  HG2   )(resid   9 and name  HN    ) 0 0 5.0 ! 
assign (resid   9 and name  HA    )(resid  10 and name  HN    ) 0 0 3.5 ! 
assign (resid   9 and name  HA    )(resid   9 and name  HB1   ) 0 0 3.5 ! 
assign (resid   9 and name  HA    )(resid   9 and name  HB2   ) 0 0 3.5 ! 
assign (resid   9 and name  HA    )(resid   9 and name  HD*   ) 0 0 4.5 ! 
assign (resid   9 and name  HA    )(resid   9 and name  HG1   ) 0 0 5.0 ! 
assign (resid   9 and name  HA    )(resid   9 and name  HG2   ) 0 0 5.0 ! 
assign (resid   9 and name  HB1   )(resid   9 and name  HB2   ) 0 0 2.7 ! 

! RESIDUE 10  CYS
assign (resid  10 and name  HN    )(resid  11 and name  HN    ) 0 0 3.5 ! 
assign (resid  10 and name  HA    )(resid  11 and name  HN    ) 0 0 5.0 ! 
assign (resid  10 and name  HB1   )(resid  11 and name  HN    ) 0 0 5.0 ! 
assign (resid  10 and name  HB2   )(resid  11 and name  HN    ) 0 0 5.0 ! 
assign (resid  10 and name  HA 	  )(resid  15 and name  HN    ) 0 0 5.0 ! 
assign (resid  10 and name  HA    )(resid  10 and name  HN    ) 0 0 3.5 ! 
assign (resid  10 and name  HB1   )(resid  10 and name  HN    ) 0 0 5.0 ! 
assign (resid  10 and name  HB2   )(resid  10 and name  HN    ) 0 0 3.5 ! 
assign (resid  10 and name  HA    )(resid  21 and name  HB1   ) 0 0 5.0 ! 
assign (resid  10 and name  HA    )(resid  21 and name  HB2   ) 0 0 5.0 ! 
assign (resid  10 and name  HA    )(resid  10 and name  HB1   ) 0 0 3.5 ! 
assign (resid  10 and name  HA    )(resid  10 and name  HB2   ) 0 0 5.0 ! 
assign (resid  10 and name  HB1   )(resid  10 and name  HB2   ) 0 0 2.7 ! 

! RESIDUE 11  LYS
assign (resid  11 and name  HN    )(resid  12 and name  HN    ) 0 0 3.5 ! 
assign (resid  11 and name  HA    )(resid  11 and name  HN    ) 0 0 3.5 ! 
assign (resid  11 and name  HB1   )(resid  11 and name  HN    ) 0 0 5.0 ! 
assign (resid  11 and name  HB2   )(resid  11 and name  HN    ) 0 0 5.0 ! 
assign (resid  11 and name  HD*	  )(resid  11 and name  HN    ) 0 0 6.0 ! 
assign (resid  11 and name  HG1   )(resid  11 and name  HN    ) 0 0 5.0 ! 
assign (resid  11 and name  HG2   )(resid  11 and name  HN    ) 0 0 5.0 ! 
assign (resid  11 and name  HA    )(resid  12 and name  HN    ) 0 0 3.5 ! 
assign (resid  11 and name  HA    )(resid  11 and name  HE*   ) 0 0 6.0 ! 
assign (resid  11 and name  HA    )(resid  11 and name  HB1   ) 0 0 3.5 ! 
assign (resid  11 and name  HA    )(resid  11 and name  HB2   ) 0 0 3.5 ! 
assign (resid  11 and name  HA    )(resid  11 and name  HD*   ) 0 0 6.0 !
assign (resid  11 and name  HA	  )(resid  11 and name  HG1   ) 0 0 5.0 ! 
assign (resid  11 and name  HA    )(resid  11 and name  HG2   ) 0 0 5.0 ! 

! RESIDUE 12  ASP
assign (resid  12 and name  HN    )(resid  13 and name  HN    ) 0 0 5.0 ! 
assign (resid  12 and name  HA    )(resid  13 and name  HN    ) 0 0 2.7 ! 
assign (resid  12 and name  HB1   )(resid  13 and name  HN    ) 0 0 5.0 !
assign (resid  12 and name  HB2   )(resid  13 and name  HN    ) 0 0 5.0 ! 
assign (resid  12 and name  HA    )(resid  14 and name  HN    ) 0 0 5.0 ! 
assign (resid  12 and name  HB1   )(resid  14 and name  HN    ) 0 0 5.0 ! 
assign (resid  12 and name  HB2   )(resid  14 and name  HN    ) 0 0 5.0 ! 
assign (resid  12 and name  HA    )(resid  12 and name  HN    ) 0 0 3.5 ! 
assign (resid  12 and name  HB1   )(resid  12 and name  HN    ) 0 0 3.5 ! 
assign (resid  12 and name  HB2   )(resid  12 and name  HN    ) 0 0 3.5 !
assign (resid  12 and name  HB1   )(resid  15 and name  HN    ) 0 0 3.5 ! 
assign (resid  12 and name  HB2   )(resid  15 and name  HN    ) 0 0 3.5 ! 
assign (resid  12 and name  HA    )(resid  12 and name  HB1   ) 0 0 3.5 ! 
assign (resid  12 and name  HA    )(resid  12 and name  HB2   ) 0 0 3.5 ! 
assign (resid  12 and name  HB1   )(resid  12 and name  HB2   ) 0 0 2.7 ! 

! RESIDUE 13  ARG
assign (resid  13 and name  HN    )(resid  14 and name  HN    ) 0 0 3.5 ! 
assign (resid  13 and name  HN    )(resid  15 and name  HN    ) 0 0 5.0 ! 
assign (resid  13 and name  HA    )(resid  13 and name  HN    ) 0 0 3.5 !
assign (resid  13 and name  HD*   )(resid  13 and name  HN    ) 0 0 6.0 ! 
assign (resid  13 and name  HB1	  )(resid  13 and name  HN    ) 0 0 5.0 ! 
assign (resid  13 and name  HB2   )(resid  13 and name  HN    ) 0 0 5.0 ! 
assign (resid  13 and name  HG*   )(resid  13 and name  HN    ) 0 0 6.0 ! 
assign (resid  13 and name  HA    )(resid  14 and name  HN    ) 0 0 5.0 ! 
assign (resid  13 and name  HB*   )(resid  14 and name  HN    ) 0 0 6.0 ! 
assign (resid  13 and name  HA    )(resid  16 and name  HN    ) 0 0 5.0 ! 
assign (resid  13 and name  HD*   )(resid  13 and name  HE    ) 0 0 3.7 ! 
assign (resid  13 and name  HB1	  )(resid  13 and name  HE    ) 0 0 5.0 ! 
assign (resid  13 and name  HB2   )(resid  13 and name  HE    ) 0 0 5.0 ! 
assign (resid  13 and name  HG*   )(resid  13 and name  HE    ) 0 0 6.0 ! 
assign (resid  13 and name  HD*   )(resid  13 and name  HA    ) 0 0 6.0 ! 
assign (resid  13 and name  HB1	  )(resid  13 and name  HA    ) 0 0 3.5 ! 
assign (resid  13 and name  HB2   )(resid  13 and name  HA    ) 0 0 3.5 ! 
assign (resid  13 and name  HG*   )(resid  13 and name  HA    ) 0 0 6.0 ! 

! RESIDUE 14  ARG
assign (resid  14 and name  HN    )(resid  15 and name  HN    ) 0 0 3.5 ! 
assign (resid  14 and name  HE    )(resid  14 and name  HN    ) 0 0 5.0 ! 
assign (resid  14 and name  HA    )(resid  14 and name  HN    ) 0 0 2.7 ! 
assign (resid  14 and name  HD*   )(resid  14 and name  HN    ) 0 0 6.0 ! 
assign (resid  14 and name  HB*	  )(resid  14 and name  HN    ) 0 0 4.5 ! 
assign (resid  14 and name  HG*   )(resid  14 and name  HN    ) 0 0 4.5 ! 
assign (resid  14 and name  HA    )(resid  15 and name  HN    ) 0 0 3.5 ! 
assign (resid  14 and name  HA    )(resid  14 and name  HE    ) 0 0 6.0 ! 
assign (resid  14 and name  HD*   )(resid  14 and name  HE    ) 0 0 3.7 ! 
assign (resid  14 and name  HB*	  )(resid  14 and name  HE    ) 0 0 4.5 ! 
assign (resid  14 and name  HG*   )(resid  14 and name  HE    ) 0 0 4.5 ! 
assign (resid  14 and name  HD*   )(resid  14 and name  HA    ) 0 0 6.0 ! 
assign (resid  14 and name  HB*	  )(resid  14 and name  HA    ) 0 0 6.0 ! 
assign (resid  14 and name  HG*   )(resid  14 and name  HA    ) 0 0 6.0 ! 

! RESIDUE 15  CYS
assign (resid  15 and name  HA    )(resid  18 and name  HN    ) 0 0 6.0 ! 
assign (resid  15 and name  HA    )(resid  15 and name  HN    ) 0 0 3.5 ! 
assign (resid  15 and name  HB1   )(resid  15 and name  HN    ) 0 0 3.5 ! 
assign (resid  15 and name  HB2   )(resid  15 and name  HN    ) 0 0 3.5 ! 
assign (resid  15 and name  HB1   )(resid  16 and name  HN    ) 0 0 5.0 ! (298K)
assign (resid  15 and name  HB2   )(resid  16 and name  HN    ) 0 0 5.0 ! (298K)
assign (resid  15 and name  HB1   )(resid  15 and name  HA    ) 0 0 3.5 ! 
assign (resid  15 and name  HB2   )(resid  15 and name  HA    ) 0 0 3.5 ! 
assign (resid  15 and name  HA    )(resid  3  and name  HB1   ) 0 0 5.0 ! 
assign (resid  15 and name  HA    )(resid  3  and name  HB2   ) 0 0 5.0 ! 
assign (resid  15 and name  HA    )(resid  18 and name  HG1   ) 0 0 5.0 ! 
assign (resid  15 and name  HA    )(resid  18 and name  HG2   ) 0 0 5.0 ! 
assign (resid  15 and name  HA    )(resid  18 and name  HB*   ) 0 0 3.5 ! 

! RESIDUE 16  LYS
assign (resid  16 and name  HA    )(resid  18 and name  HN    ) 0 0 5.0 ! 
assign (resid  16 and name  HA    )(resid  16 and name  HN    ) 0 0 3.5 ! 
assign (resid  16 and name  HA    )(resid  17 and name  HD*   ) 0 0 5.0 ! 

! RESIDUE 17  HYP
assign (resid  17 and name  HA    )(resid  18 and name  HN    ) 0 0 3.5 ! 
assign (resid  17 and name  HG    )(resid  18 and name  HN    ) 0 0 5.0 ! 
assign (resid  17 and name  HD11  )(resid  18 and name  HN    ) 0 0 3.5 ! 
assign (resid  17 and name  HD12  )(resid  18 and name  HN    ) 0 0 3.5 ! 
assign (resid  17 and name  HB*	  )(resid  18 and name  HN    ) 0 0 6.0 ! 
assign (resid  17 and name  HG    )(resid  16 and name  HN    ) 0 0 6.0 ! 
assign (resid  17 and name  HD1*  )(resid  16 and name  HN    ) 0 0 3.7 ! 
assign (resid  17 and name  HA	  )(resid  17 and name  HG    ) 0 0 5.0 ! 
assign (resid  17 and name  HA    )(resid  17 and name  HD1*  ) 0 0 6.0 ! 
assign (resid  17 and name  HA    )(resid  17 and name  HB1   ) 0 0 3.5 ! 
assign (resid  17 and name  HA    )(resid  17 and name  HB2   ) 0 0 3.5 ! 
assign (resid  17 and name  HG    )(resid  17 and name  HD11  ) 0 0 3.5 ! 
assign (resid  17 and name  HG    )(resid  17 and name  HD12  ) 0 0 3.5 ! 
assign (resid  17 and name  HG    )(resid  17 and name  HB1   ) 0 0 2.7 ! 
assign (resid  17 and name  HG    )(resid  17 and name  HB2   ) 0 0 2.7 ! 
assign (resid  17 and name  HD11  )(resid  17 and name  HD12  ) 0 0 2.7 ! 
assign (resid  17 and name  HD11  )(resid  17 and name  HB1   ) 0 0 5.0 ! 
assign (resid  17 and name  HD11  )(resid  17 and name  HB2   ) 0 0 5.0 ! 
assign (resid  17 and name  HD12  )(resid  17 and name  HB*   ) 0 0 6.0 ! 
assign (resid  17 and name  HB1   )(resid  17 and name  HB2   ) 0 0 2.7 ! 

! RESIDUE 18  MET
assign (resid  18 and name  HN    )(resid  19 and name  HN    ) 0 0 5.0 ! 
assign (resid  18 and name  HA    )(resid  19 and name  HN    ) 0 0 2.7 ! 
assign (resid  18 and name  HG1   )(resid  19 and name  HN    ) 0 0 5.0 ! 
assign (resid  18 and name  HG2   )(resid  19 and name  HN    ) 0 0 5.0 ! 
assign (resid  18 and name  HB*	  )(resid  19 and name  HN    ) 0 0 3.7 ! 
assign (resid  18 and name  HA	  )(resid  20 and name  HN    ) 0 0 5.0 ! 
assign (resid  18 and name  HG1   )(resid  20 and name  HN    ) 0 0 6.0 ! 
assign (resid  18 and name  HG2   )(resid  20 and name  HN    ) 0 0 6.0 ! 
assign (resid  18 and name  HB*   )(resid  20 and name  HN    ) 0 0 3.7 ! 
assign (resid  18 and name  HA    )(resid  18 and name  HN    ) 0 0 3.5 ! 
assign (resid  18 and name  HG1   )(resid  18 and name  HN    ) 0 0 3.5 ! 
assign (resid  18 and name  HG2   )(resid  18 and name  HN    ) 0 0 3.5 ! 
assign (resid  18 and name  HB*	  )(resid  18 and name  HN    ) 0 0 4.5 ! 
assign (resid  18 and name  HA    )(resid  18 and name  HG1   ) 0 0 3.5 ! 
assign (resid  18 and name  HA    )(resid  18 and name  HG2   ) 0 0 3.5 ! 
assign (resid  18 and name  HA    )(resid  18 and name  HB*   ) 0 0 3.5 ! 
assign (resid  18 and name  HG1   )(resid  18 and name  HG2   ) 0 0 3.5 ! 
assign (resid  18 and name  HG1   )(resid  18 and name  HB*   ) 0 0 3.5 ! 
assign (resid  18 and name  HG1   )(resid  18 and name  HB*   ) 0 0 3.5 ! 
assign (resid  18 and name  HN    )(resid  21 and name  HB*   ) 0 0 6.0 ! 
assign (resid  18 and name  HA    )(resid  21 and name  HN    ) 0 0 6.0 !

! RESIDUE 19  LYS
assign (resid  19 and name  HN    )(resid  20 and name  HN    ) 0 0 3.5 !
assign (resid  19 and name  HN    )(resid  21 and name  HN    ) 0 0 5.0 ! 
assign (resid  19 and name  HA    )(resid  19 and name  HN    ) 0 0 3.5 ! 
assign (resid  19 and name  HB*   )(resid  19 and name  HN    ) 0 0 4.5 ! 
assign (resid  19 and name  HG1	  )(resid  19 and name  HN    ) 0 0 5.0 ! 
assign (resid  19 and name  HG2   )(resid  19 and name  HN    ) 0 0 5.0 ! 
assign (resid  19 and name  HA 	  )(resid  20 and name  HN    ) 0 0 5.0 ! 
assign (resid  19 and name  HB*   )(resid  20 and name  HN    ) 0 0 6.0 ! 
assign (resid  19 and name  HA    )(resid  22 and name  HN    ) 0 0 5.0 !

! RESIDUE 20  CYS
assign (resid  20 and name  HN    )(resid  21 and name  HN    ) 0 0 3.5 ! 
assign (resid  20 and name  HA    )(resid  20 and name  HN    ) 0 0 2.7 ! 
assign (resid  20 and name  HB1   )(resid  20 and name  HN    ) 0 0 5.0 ! 
assign (resid  20 and name  HB2   )(resid  20 and name  HN    ) 0 0 3.5 ! 
assign (resid  20 and name  HA	  )(resid  21 and name  HN    ) 0 0 3.5 ! 
assign (resid  20 and name  HB*   )(resid  21 and name  HN    ) 0 0 6.0 ! 
assign (resid  20 and name  HA    )(resid  20 and name  HB1   ) 0 0 2.7 ! 
assign (resid  20 and name  HA    )(resid  20 and name  HB2   ) 0 0 3.5 ! 
assign (resid  20 and name  HB1   )(resid  20 and name  HB2   ) 0 0 2.7 ! 

! RESIDUE 21  CYS
assign (resid  21 and name  HA    )(resid  21 and name  HN    ) 0 0 5.0 ! 
assign (resid  21 and name  HB1   )(resid  21 and name  HA    ) 0 0 2.7 ! 
assign (resid  21 and name  HB2   )(resid  21 and name  HA    ) 0 0 3.5 ! 
assign (resid  21 and name  HB1   )(resid  21 and name  HB2   ) 0 0 2.7 ! 

! RESIDUE 22  ALA
assign (resid  22 and name  HA    )(resid  22 and name  HN    ) 0 0 3.5 ! 
assign (resid  22 and name  HB*   )(resid  22 and name  HN    ) 0 0 5.0 ! 
assign (resid  22 and name  HA    )(resid  22 and name  HB*   ) 0 0 4.2 ! 




! G3BDIHED.TBL
! DIHEDRAL RESTRAINTS
! MU-CONOTOXIN GIIIB
! J.M. HILL. P.F. ALEWOOD, D.J. CRAIK

! phi angles  
 assign (resid   3 and name C )   (resid   4 and name N ) 
        (resid   4 and name CA)   (resid   4 and name C )   1 -120.0   40.0  2
 assign (resid   8 and name C )   (resid   9 and name N ) 
        (resid   9 and name CA)   (resid   9 and name C )   1 -120.0   40.0  2
 assign (resid  10 and name C )   (resid  11 and name N ) 
        (resid  11 and name CA)   (resid  11 and name C )   1 -120.0   40.0  2 
 assign (resid  20 and name C )   (resid  21 and name N ) 
        (resid  21 and name CA)   (resid  21 and name C )   1 -120.0   40.0  2

assign  (resid   7 and name C )    (resid  8 and name N )
        (resid   8 and name CA)    (resid  8 and name C )    1 -65.0   25.0  2
assign  (resid  12 and name C )    (resid 13 and name N )
        (resid  13 and name CA)    (resid 13 and name C )    1 -65.0   25.0  2
assign  (resid  13 and name C )    (resid 14 and name N )
        (resid  14 and name CA)    (resid 14 and name C )    1 -65.0   25.0  2
assign  (resid  15 and name C )    (resid 16 and name N )
        (resid  16 and name CA)    (resid 16 and name C )    1 -65.0   25.0  2
assign  (resid  18 and name C )    (resid 19 and name N )
        (resid  19 and name CA)    (resid 19 and name C )    1 -65.0   25.0  2

! chi angles
 assign (resid   3 and name N )    (resid  3 and name CA)
        (resid   3 and name CB)    (resid  3 and name SG)    1 -60.0   30.0  2
 assign (resid   4 and name N )    (resid  4 and name CA)
        (resid   4 and name CB)    (resid  4 and name SG)    1 -60.0   30.0  2
 assign (resid  10 and name N )    (resid 10 and name CA)
        (resid  10 and name CB)    (resid 10 and name SG)    1 -60.0   30.0  2
 assign (resid  20 and name N )    (resid 20 and name CA)
        (resid  20 and name CB)    (resid 20 and name SG)    1  60.0   30.0  2
 assign (resid  21 and name N )    (resid 21 and name CA)
        (resid  21 and name CB)    (resid 21 and name SG)    1 -60.0   30.0  2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          2H        ARG   1  -2.375  -4.064 -16.163
    2   2H    ARG   1          1H        ARG   1  -0.966  -3.728 -17.050
    3   3H    ARG   1          3H        ARG   1  -2.070  -4.889 -17.617
    4    HA   ARG   1           HA       ARG   1  -1.599  -6.334 -15.800
    5   1HB   ARG   1          2HB       ARG   1  -0.068  -6.283 -17.851
    6   2HB   ARG   1          1HB       ARG   1   1.040  -5.283 -16.929
    7   1HG   ARG   1          2HG       ARG   1   1.342  -7.065 -15.261
    8   2HG   ARG   1          1HG       ARG   1   0.097  -8.043 -16.019
    9   1HD   ARG   1          2HD       ARG   1   1.521  -8.067 -18.132
   10   2HD   ARG   1          1HD       ARG   1   2.796  -7.275 -17.208
   11    HE   ARG   1           HE       ARG   1   2.505  -9.336 -15.619
   12   1HH1  ARG   1          1HH1      ARG   1   0.724 -11.011 -17.006
   13   2HH1  ARG   1          2HH1      ARG   1   1.700 -11.915 -18.116
   14   1HH2  ARG   1          1HH2      ARG   1   4.387  -9.681 -17.892
   15   2HH2  ARG   1          2HH2      ARG   1   3.824 -11.144 -18.629
   16    H    ASP   2           H        ASP   2  -0.777  -6.675 -13.806
   17    HA   ASP   2           HA       ASP   2  -0.229  -6.160 -11.614
   18   1HB   ASP   2          2HB       ASP   2   2.029  -6.049 -12.825
   19   2HB   ASP   2          1HB       ASP   2   1.860  -4.306 -12.875
   20    H    CYS   3           H        CYS   3  -2.169  -5.147 -11.151
   21    HA   CYS   3           HA       CYS   3  -1.907  -2.322 -10.411
   22   1HB   CYS   3          2HB       CYS   3  -3.984  -3.331 -12.359
   23   2HB   CYS   3          1HB       CYS   3  -4.223  -1.868 -11.447
   24    H    CYS   4           H        CYS   4  -4.182  -5.031 -10.602
   25    HA   CYS   4           HA       CYS   4  -5.642  -4.121  -8.249
   26   1HB   CYS   4          2HB       CYS   4  -5.709  -6.761  -9.705
   27   2HB   CYS   4          1HB       CYS   4  -6.859  -6.221  -8.512
   28    H    THR   5           H        THR   5  -2.769  -5.775  -8.732
   29    HA   THR   5           HA       THR   5  -2.791  -7.692  -6.638
   30    HB   THR   5           HB       THR   5  -0.974  -7.773  -8.296
   31    HG1  THR   5           HG1      THR   5  -0.675  -7.794  -5.729
   32   1HG2  THR   5          2HG2      THR   5  -0.884  -5.105  -8.523
   33   2HG2  THR   5          1HG2      THR   5   0.213  -5.202  -7.153
   34   3HG2  THR   5          3HG2      THR   5   0.606  -6.017  -8.654
   35    HA   HYP   6           HA       HYP   6  -3.511  -4.746  -3.504
   36   1HB   HYP   6          1HB       HYP   6  -4.298  -6.128  -1.902
   37   2HB   HYP   6          2HB       HYP   6  -2.673  -6.314  -1.262
   38   1HD   HYP   6          1HD1      HYP   6  -3.672  -8.109  -4.824
   39   2HD   HYP   6          2HD1      HYP   6  -1.962  -8.359  -4.432
   40    HOD  HYP   6           HD2      HYP   6  -4.520  -9.260  -2.945
   41    HG   HYP   6           HG       HYP   6  -2.545  -8.492  -2.142
   42    HA   HYP   7           HA       HYP   7  -3.529  -3.105  -2.212
   43   1HB   HYP   7          1HB       HYP   7  -3.011  -1.305  -0.945
   44   2HB   HYP   7          2HB       HYP   7  -2.450  -0.465  -2.381
   45   1HD   HYP   7          1HD1      HYP   7   0.188  -3.425  -1.211
   46   2HD   HYP   7          2HD1      HYP   7   0.403  -2.586  -2.753
   47    HOD  HYP   7           HD2      HYP   7  -0.029  -1.777   0.400
   48    HG   HYP   7           HG       HYP   7  -0.241  -0.660  -1.535
   49    H    ARG   8           H        ARG   8  -4.895  -2.080  -3.716
   50    HA   ARG   8           HA       ARG   8  -4.419  -2.491  -6.432
   51   1HB   ARG   8          2HB       ARG   8  -6.361  -0.682  -4.962
   52   2HB   ARG   8          1HB       ARG   8  -6.389  -0.834  -6.708
   53   1HG   ARG   8          2HG       ARG   8  -6.488  -3.416  -6.287
   54   2HG   ARG   8          1HG       ARG   8  -6.896  -2.992  -4.636
   55   1HD   ARG   8          2HD       ARG   8  -8.912  -1.850  -5.327
   56   2HD   ARG   8          1HD       ARG   8  -8.432  -1.885  -7.021
   57    HE   ARG   8           HE       ARG   8  -9.101  -4.138  -7.145
   58   1HH1  ARG   8          2HH1      ARG   8  -7.777  -5.338  -4.871
   59   2HH1  ARG   8          1HH1      ARG   8  -9.069  -5.704  -3.778
   60   1HH2  ARG   8          1HH2      ARG   8 -11.313  -3.543  -5.378
   61   2HH2  ARG   8          2HH2      ARG   8 -11.120  -4.664  -4.071
   62    H    LYS   9           H        LYS   9  -4.348  -0.976  -8.170
   63    HA   LYS   9           HA       LYS   9  -2.717   1.477  -7.659
   64   1HB   LYS   9          2HB       LYS   9  -1.460  -0.500  -8.583
   65   2HB   LYS   9          1HB       LYS   9  -2.566  -0.490  -9.941
   66   1HG   LYS   9          2HG       LYS   9  -1.760   1.937 -10.369
   67   2HG   LYS   9          1HG       LYS   9  -0.438   1.551  -9.272
   68   1HD   LYS   9          2HD       LYS   9  -0.134  -0.604 -10.710
   69   2HD   LYS   9          1HD       LYS   9  -1.197   0.167 -11.869
   70   1HE   LYS   9          2HE       LYS   9   0.405   2.049 -12.085
   71   2HE   LYS   9          1HE       LYS   9   1.452   1.292 -10.888
   72   1HZ   LYS   9          1HZ       LYS   9   0.982  -0.698 -12.642
   73   2HZ   LYS   9          3HZ       LYS   9   1.084   0.660 -13.656
   74   3HZ   LYS   9          2HZ       LYS   9   2.373   0.280 -12.613
   75    H    CYS  10           H        CYS  10  -4.497  -0.111 -10.250
   76    HA   CYS  10           HA       CYS  10  -5.951   0.647 -11.880
   77   1HB   CYS  10          2HB       CYS  10  -6.931   2.449  -9.670
   78   2HB   CYS  10          1HB       CYS  10  -7.870   1.817 -11.000
   79    H    LYS  11           H        LYS  11  -3.430   2.208 -11.515
   80    HA   LYS  11           HA       LYS  11  -4.080   4.965 -12.232
   81   1HB   LYS  11          2HB       LYS  11  -1.492   3.389 -12.092
   82   2HB   LYS  11          1HB       LYS  11  -1.534   5.052 -12.627
   83   1HG   LYS  11          2HG       LYS  11  -3.044   4.657 -10.104
   84   2HG   LYS  11          1HG       LYS  11  -1.368   4.177  -9.954
   85   1HD   LYS  11          2HD       LYS  11  -0.548   6.332 -10.475
   86   2HD   LYS  11          1HD       LYS  11  -2.038   6.828 -11.256
   87   1HE   LYS  11          2HE       LYS  11  -1.687   7.860  -8.973
   88   2HE   LYS  11          1HE       LYS  11  -3.199   6.976  -9.123
   89   1HZ   LYS  11          1HZ       LYS  11  -0.754   5.698  -8.078
   90   2HZ   LYS  11          3HZ       LYS  11  -1.812   6.570  -7.073
   91   3HZ   LYS  11          2HZ       LYS  11  -2.371   5.202  -7.916
   92    H    ASP  12           H        ASP  12  -2.845   2.127 -13.908
   93    HA   ASP  12           HA       ASP  12  -2.445   3.368 -16.453
   94   1HB   ASP  12          2HB       ASP  12  -3.057   0.440 -15.853
   95   2HB   ASP  12          1HB       ASP  12  -2.267   1.065 -17.285
   96    H    ARG  13           H        ARG  13  -3.691   3.274 -18.321
   97    HA   ARG  13           HA       ARG  13  -6.447   3.862 -18.053
   98   1HB   ARG  13          2HB       ARG  13  -4.976   4.497 -20.005
   99   2HB   ARG  13          1HB       ARG  13  -5.008   2.830 -20.547
  100   1HG   ARG  13          2HG       ARG  13  -7.438   2.921 -20.867
  101   2HG   ARG  13          1HG       ARG  13  -7.519   4.516 -20.145
  102   1HD   ARG  13          2HD       ARG  13  -5.589   4.545 -22.350
  103   2HD   ARG  13          1HD       ARG  13  -7.120   3.881 -22.899
  104    HE   ARG  13           HE       ARG  13  -8.201   5.959 -22.344
  105   1HH1  ARG  13          2HH1      ARG  13  -6.157   6.403 -20.033
  106   2HH1  ARG  13          1HH1      ARG  13  -5.405   7.867 -20.575
  107   1HH2  ARG  13          1HH2      ARG  13  -6.705   7.568 -23.816
  108   2HH2  ARG  13          2HH2      ARG  13  -5.722   8.543 -22.774
  109    H    ARG  14           H        ARG  14  -4.976   0.943 -19.451
  110    HA   ARG  14           HA       ARG  14  -7.324  -0.575 -19.708
  111   1HB   ARG  14          2HB       ARG  14  -4.519  -1.607 -19.158
  112   2HB   ARG  14          1HB       ARG  14  -5.828  -2.525 -19.881
  113   1HG   ARG  14          2HG       ARG  14  -5.884  -0.622 -21.690
  114   2HG   ARG  14          1HG       ARG  14  -4.313  -0.167 -21.057
  115   1HD   ARG  14          2HD       ARG  14  -5.010  -2.949 -22.096
  116   2HD   ARG  14          1HD       ARG  14  -4.108  -1.729 -22.992
  117    HE   ARG  14           HE       ARG  14  -2.918  -2.242 -20.398
  118   1HH1  ARG  14          1HH2      ARG  14  -1.018  -1.736 -22.346
  119   2HH1  ARG  14          2HH2      ARG  14  -0.494  -3.278 -22.938
  120   1HH2  ARG  14          2HH1      ARG  14  -3.305  -4.941 -21.665
  121   2HH2  ARG  14          1HH1      ARG  14  -1.824  -5.142 -22.542
  122    H    CYS  15           H        CYS  15  -5.661   0.223 -16.837
  123    HA   CYS  15           HA       CYS  15  -6.712  -2.053 -15.280
  124   1HB   CYS  15          2HB       CYS  15  -4.885   0.264 -14.680
  125   2HB   CYS  15          1HB       CYS  15  -5.461  -0.806 -13.440
  126    H    LYS  16           H        LYS  16  -8.016   0.853 -16.218
  127    HA   LYS  16           HA       LYS  16  -9.346   1.507 -13.697
  128   1HB   LYS  16          2HB       LYS  16  -8.654   2.968 -15.965
  129   2HB   LYS  16          1HB       LYS  16 -10.374   2.768 -16.201
  130   1HG   LYS  16          2HG       LYS  16  -9.292   3.697 -13.518
  131   2HG   LYS  16          1HG       LYS  16  -9.504   4.822 -14.843
  132   1HD   LYS  16          2HD       LYS  16 -11.912   4.100 -15.040
  133   2HD   LYS  16          1HD       LYS  16 -11.691   3.074 -13.633
  134   1HE   LYS  16          2HE       LYS  16 -11.215   4.998 -12.217
  135   2HE   LYS  16          1HE       LYS  16 -11.168   6.076 -13.607
  136   1HZ   LYS  16          1HZ       LYS  16 -13.602   4.597 -13.467
  137   2HZ   LYS  16          3HZ       LYS  16 -13.335   5.532 -12.074
  138   3HZ   LYS  16          2HZ       LYS  16 -13.347   6.270 -13.603
  139    HA   HYP  17           HA       HYP  17 -13.151  -0.195 -16.096
  140   1HB   HYP  17          1HB       HYP  17 -13.202  -0.498 -18.372
  141   2HB   HYP  17          2HB       HYP  17 -12.350  -2.019 -18.188
  142   1HD   HYP  17          1HD1      HYP  17  -9.831   1.142 -17.446
  143   2HD   HYP  17          2HD1      HYP  17  -9.335  -0.534 -17.202
  144    HOD  HYP  17           HD2      HYP  17 -11.725   0.672 -20.036
  145    HG   HYP  17           HG       HYP  17 -10.540  -0.960 -19.219
  146    H    MET  18           H        MET  18 -10.284  -1.865 -15.411
  147    HA   MET  18           HA       MET  18 -11.071  -4.553 -15.127
  148   1HB   MET  18          2HB       MET  18  -9.122  -2.833 -13.553
  149   2HB   MET  18          1HB       MET  18  -9.365  -4.520 -13.133
  150   1HG   MET  18          2HG       MET  18  -8.888  -5.109 -15.539
  151   2HG   MET  18          1HG       MET  18  -8.465  -3.444 -15.798
  152   1HE   MET  18          2HE       MET  18  -7.704  -6.386 -13.320
  153   2HE   MET  18          1HE       MET  18  -7.278  -6.911 -14.968
  154   3HE   MET  18          3HE       MET  18  -6.033  -6.690 -13.750
  155    H    LYS  19           H        LYS  19 -12.484  -5.520 -13.935
  156    HA   LYS  19           HA       LYS  19 -14.466  -4.415 -12.385
  157   1HB   LYS  19          2HB       LYS  19 -14.845  -6.706 -11.483
  158   2HB   LYS  19          1HB       LYS  19 -14.568  -6.682 -13.205
  159   1HG   LYS  19          2HG       LYS  19 -13.072  -8.349 -12.778
  160   2HG   LYS  19          1HG       LYS  19 -11.981  -7.049 -12.385
  161   1HD   LYS  19          2HD       LYS  19 -11.812  -7.783 -10.251
  162   2HD   LYS  19          1HD       LYS  19 -13.529  -7.569 -10.000
  163   1HE   LYS  19          2HE       LYS  19 -12.266 -10.046 -11.254
  164   2HE   LYS  19          1HE       LYS  19 -12.798  -9.921  -9.584
  165   1HZ   LYS  19          3HZ       LYS  19 -14.528  -9.601 -11.966
  166   2HZ   LYS  19          2HZ       LYS  19 -14.453 -10.970 -10.963
  167   3HZ   LYS  19          1HZ       LYS  19 -15.035  -9.497 -10.349
  168    H    CYS  20           H        CYS  20 -11.357  -5.511 -11.131
  169    HA   CYS  20           HA       CYS  20 -11.883  -5.407  -8.382
  170   1HB   CYS  20          2HB       CYS  20  -9.627  -5.660  -8.096
  171   2HB   CYS  20          1HB       CYS  20  -9.777  -6.143  -9.757
  172    H    CYS  21           H        CYS  21 -11.152  -2.788 -10.564
  173    HA   CYS  21           HA       CYS  21 -10.976  -0.792  -8.379
  174   1HB   CYS  21          2HB       CYS  21 -10.798  -0.370 -11.379
  175   2HB   CYS  21          1HB       CYS  21 -10.291   0.735 -10.130
  176    H    ALA  22           H        ALA  22 -12.766  -1.573 -11.265
  177    HA   ALA  22           HA       ALA  22 -15.324  -0.721 -10.196
  178   1HB   ALA  22          1HB       ALA  22 -13.958   0.876 -12.417
  179   2HB   ALA  22          3HB       ALA  22 -15.691   0.939 -12.133
  180   3HB   ALA  22          2HB       ALA  22 -14.578   1.493 -10.894
   
  No H/Q in entry =         180
  Start of MODEL    2
    1   1H    ARG   1          1H        ARG   1   0.564  -7.956 -14.557
    2   2H    ARG   1          3H        ARG   1   1.073  -9.482 -14.007
    3   3H    ARG   1          2H        ARG   1  -0.369  -9.339 -14.902
    4    HA   ARG   1           HA       ARG   1  -1.513  -8.341 -13.185
    5   1HB   ARG   1          2HB       ARG   1   0.501 -10.332 -12.041
    6   2HB   ARG   1          1HB       ARG   1  -0.789  -9.679 -11.053
    7   1HG   ARG   1          2HG       ARG   1  -1.758 -10.672 -13.685
    8   2HG   ARG   1          1HG       ARG   1  -0.970 -11.919 -12.747
    9   1HD   ARG   1          2HD       ARG   1  -3.482 -11.718 -12.347
   10   2HD   ARG   1          1HD       ARG   1  -2.508 -11.623 -10.891
   11    HE   ARG   1           HE       ARG   1  -3.135  -9.358 -10.647
   12   1HH1  ARG   1          1HH1      ARG   1  -5.308 -10.743 -12.636
   13   2HH1  ARG   1          2HH1      ARG   1  -5.706  -9.334 -13.560
   14   1HH2  ARG   1          1HH2      ARG   1  -3.037  -7.474 -12.264
   15   2HH2  ARG   1          2HH2      ARG   1  -4.390  -7.439 -13.345
   16    H    ASP   2           H        ASP   2  -1.294  -6.290 -12.690
   17    HA   ASP   2           HA       ASP   2   0.516  -5.402 -10.610
   18   1HB   ASP   2          2HB       ASP   2   1.631  -3.634 -12.194
   19   2HB   ASP   2          1HB       ASP   2   2.195  -5.282 -12.341
   20    H    CYS   3           H        CYS   3  -2.342  -5.398 -11.634
   21    HA   CYS   3           HA       CYS   3  -2.908  -2.476 -11.356
   22   1HB   CYS   3          2HB       CYS   3  -4.248  -4.685 -12.850
   23   2HB   CYS   3          1HB       CYS   3  -5.228  -3.376 -12.249
   24    H    CYS   4           H        CYS   4  -4.541  -5.535 -10.661
   25    HA   CYS   4           HA       CYS   4  -5.893  -4.309  -8.354
   26   1HB   CYS   4          2HB       CYS   4  -6.107  -7.080  -9.502
   27   2HB   CYS   4          1HB       CYS   4  -7.190  -6.350  -8.345
   28    H    THR   5           H        THR   5  -3.127  -6.228  -8.876
   29    HA   THR   5           HA       THR   5  -3.076  -7.803  -6.531
   30    HB   THR   5           HB       THR   5  -1.448  -8.209  -8.326
   31    HG1  THR   5           HG1      THR   5  -0.957  -8.376  -5.973
   32   1HG2  THR   5          3HG2      THR   5  -1.109  -5.645  -8.903
   33   2HG2  THR   5          2HG2      THR   5  -0.016  -5.624  -7.525
   34   3HG2  THR   5          1HG2      THR   5   0.317  -6.666  -8.895
   35    HA   HYP   6           HA       HYP   6  -3.198  -4.548  -3.659
   36   1HB   HYP   6          1HB       HYP   6  -4.002  -5.813  -1.960
   37   2HB   HYP   6          2HB       HYP   6  -2.368  -5.902  -1.326
   38   1HD   HYP   6          1HD1      HYP   6  -3.610  -8.082  -4.589
   39   2HD   HYP   6          2HD1      HYP   6  -1.867  -8.308  -4.360
   40    HOD  HYP   6           HD2      HYP   6  -4.781  -7.892  -3.016
   41    HG   HYP   6           HG       HYP   6  -2.145  -8.145  -2.025
   42    HA   HYP   7           HA       HYP   7  -2.982  -2.830  -2.571
   43   1HB   HYP   7          1HB       HYP   7  -2.213  -1.031  -1.414
   44   2HB   HYP   7          2HB       HYP   7  -1.708  -0.306  -2.932
   45   1HD   HYP   7          1HD1      HYP   7   0.798  -3.405  -1.795
   46   2HD   HYP   7          2HD1      HYP   7   0.925  -2.669  -3.397
   47    HOD  HYP   7           HD2      HYP   7   0.769  -1.411  -0.216
   48    HG   HYP   7           HG       HYP   7   0.542  -0.638  -2.231
   49    H    ARG   8           H        ARG   8  -4.333  -1.930  -4.179
   50    HA   ARG   8           HA       ARG   8  -3.889  -2.546  -6.852
   51   1HB   ARG   8          2HB       ARG   8  -5.753  -0.474  -5.627
   52   2HB   ARG   8          1HB       ARG   8  -5.869  -1.046  -7.277
   53   1HG   ARG   8          2HG       ARG   8  -5.883  -3.460  -6.073
   54   2HG   ARG   8          1HG       ARG   8  -6.454  -2.511  -4.714
   55   1HD   ARG   8          2HD       ARG   8  -8.382  -1.725  -5.944
   56   2HD   ARG   8          1HD       ARG   8  -7.737  -2.307  -7.472
   57    HE   ARG   8           HE       ARG   8  -8.228  -4.576  -6.787
   58   1HH1  ARG   8          1HH2      ARG   8  -7.988  -3.512  -3.795
   59   2HH1  ARG   8          2HH2      ARG   8  -9.584  -3.903  -3.250
   60   1HH2  ARG   8          2HH1      ARG   8 -10.793  -4.487  -6.472
   61   2HH2  ARG   8          1HH1      ARG   8 -11.198  -4.466  -4.792
   62    H    LYS   9           H        LYS   9  -4.184  -0.976  -8.654
   63    HA   LYS   9           HA       LYS   9  -2.577   1.505  -8.519
   64   1HB   LYS   9          2HB       LYS   9  -1.193  -0.672  -9.192
   65   2HB   LYS   9          1HB       LYS   9  -2.088  -0.577 -10.686
   66   1HG   LYS   9          2HG       LYS   9  -0.415   0.749 -11.408
   67   2HG   LYS   9          1HG       LYS   9  -1.222   2.023 -10.523
   68   1HD   LYS   9          2HD       LYS   9   0.267   1.849  -8.666
   69   2HD   LYS   9          1HD       LYS   9   0.840   0.263  -9.136
   70   1HE   LYS   9          2HE       LYS   9   2.519   2.037  -9.669
   71   2HE   LYS   9          1HE       LYS   9   1.967   1.215 -11.120
   72   1HZ   LYS   9          2HZ       LYS   9   0.691   3.697 -10.169
   73   2HZ   LYS   9          1HZ       LYS   9   2.064   3.725 -11.173
   74   3HZ   LYS   9          3HZ       LYS   9   0.623   2.992 -11.710
   75    H    CYS  10           H        CYS  10  -5.315   1.149  -8.660
   76    HA   CYS  10           HA       CYS  10  -6.586   1.022 -11.129
   77   1HB   CYS  10          2HB       CYS  10  -7.258   2.644  -8.691
   78   2HB   CYS  10          1HB       CYS  10  -8.350   2.428 -10.031
   79    H    LYS  11           H        LYS  11  -4.304   3.328 -10.514
   80    HA   LYS  11           HA       LYS  11  -5.547   5.603 -11.858
   81   1HB   LYS  11          2HB       LYS  11  -2.711   4.980 -10.938
   82   2HB   LYS  11          1HB       LYS  11  -3.124   6.481 -11.747
   83   1HG   LYS  11          2HG       LYS  11  -4.689   7.092  -9.978
   84   2HG   LYS  11          1HG       LYS  11  -4.557   5.509  -9.232
   85   1HD   LYS  11          2HD       LYS  11  -2.278   5.899  -8.539
   86   2HD   LYS  11          1HD       LYS  11  -2.164   7.352  -9.517
   87   1HE   LYS  11          2HE       LYS  11  -2.526   8.087  -7.239
   88   2HE   LYS  11          1HE       LYS  11  -4.040   8.352  -8.091
   89   1HZ   LYS  11          2HZ       LYS  11  -3.428   5.993  -6.408
   90   2HZ   LYS  11          1HZ       LYS  11  -4.368   7.326  -5.938
   91   3HZ   LYS  11          3HZ       LYS  11  -4.898   6.318  -7.194
   92    H    ASP  12           H        ASP  12  -3.746   2.818 -12.738
   93    HA   ASP  12           HA       ASP  12  -2.786   3.704 -15.311
   94   1HB   ASP  12          2HB       ASP  12  -2.806   1.210 -13.666
   95   2HB   ASP  12          1HB       ASP  12  -2.619   0.964 -15.382
   96    H    ARG  13           H        ARG  13  -3.606   3.372 -17.289
   97    HA   ARG  13           HA       ARG  13  -6.415   3.203 -17.683
   98   1HB   ARG  13          2HB       ARG  13  -4.122   2.877 -19.652
   99   2HB   ARG  13          1HB       ARG  13  -5.802   3.096 -20.129
  100   1HG   ARG  13          2HG       ARG  13  -5.804   5.208 -18.661
  101   2HG   ARG  13          1HG       ARG  13  -4.063   5.026 -18.545
  102   1HD   ARG  13          2HD       ARG  13  -3.890   5.222 -21.031
  103   2HD   ARG  13          1HD       ARG  13  -5.638   5.448 -21.118
  104    HE   ARG  13           HE       ARG  13  -3.684   7.355 -19.941
  105   1HH1  ARG  13          2HH1      ARG  13  -6.378   7.093 -18.490
  106   2HH1  ARG  13          1HH1      ARG  13  -7.267   8.384 -19.229
  107   1HH2  ARG  13          1HH2      ARG  13  -4.993   8.732 -21.861
  108   2HH2  ARG  13          2HH2      ARG  13  -6.466   9.335 -21.175
  109    H    ARG  14           H        ARG  14  -4.252   0.625 -17.230
  110    HA   ARG  14           HA       ARG  14  -5.877  -1.328 -18.688
  111   1HB   ARG  14          2HB       ARG  14  -3.181  -1.289 -17.312
  112   2HB   ARG  14          1HB       ARG  14  -3.944  -2.843 -17.520
  113   1HG   ARG  14          2HG       ARG  14  -3.346  -2.904 -19.727
  114   2HG   ARG  14          1HG       ARG  14  -4.228  -1.433 -20.034
  115   1HD   ARG  14          2HD       ARG  14  -1.415  -1.354 -18.898
  116   2HD   ARG  14          1HD       ARG  14  -1.776  -1.297 -20.619
  117    HE   ARG  14           HE       ARG  14  -3.247   0.726 -20.038
  118   1HH1  ARG  14          1HH2      ARG  14  -3.174   1.344 -17.393
  119   2HH1  ARG  14          2HH2      ARG  14  -1.698   2.187 -17.096
  120   1HH2  ARG  14          2HH1      ARG  14  -0.179   1.119 -20.027
  121   2HH2  ARG  14          1HH1      ARG  14   0.001   2.050 -18.575
  122    H    CYS  15           H        CYS  15  -5.419  -0.044 -15.584
  123    HA   CYS  15           HA       CYS  15  -6.758  -2.223 -14.148
  124   1HB   CYS  15          2HB       CYS  15  -6.043   0.496 -13.120
  125   2HB   CYS  15          1HB       CYS  15  -6.192  -1.001 -12.225
  126    H    LYS  16           H        LYS  16  -7.353   1.106 -15.089
  127    HA   LYS  16           HA       LYS  16  -9.695   1.796 -13.890
  128   1HB   LYS  16          2HB       LYS  16  -8.395   2.454 -16.443
  129   2HB   LYS  16          1HB       LYS  16 -10.132   2.595 -16.584
  130   1HG   LYS  16          2HG       LYS  16  -9.976   3.989 -14.353
  131   2HG   LYS  16          1HG       LYS  16  -8.262   4.069 -14.696
  132   1HD   LYS  16          2HD       LYS  16 -10.189   4.803 -16.915
  133   2HD   LYS  16          1HD       LYS  16  -9.978   5.938 -15.602
  134   1HE   LYS  16          2HE       LYS  16  -7.580   4.789 -17.066
  135   2HE   LYS  16          1HE       LYS  16  -8.411   6.228 -17.628
  136   1HZ   LYS  16          1HZ       LYS  16  -7.956   6.440 -14.870
  137   2HZ   LYS  16          3HZ       LYS  16  -6.491   6.056 -15.633
  138   3HZ   LYS  16          2HZ       LYS  16  -7.375   7.420 -16.128
  139    HA   HYP  17           HA       HYP  17 -12.557  -0.570 -16.891
  140   1HB   HYP  17          1HB       HYP  17 -11.897  -1.264 -18.971
  141   2HB   HYP  17          2HB       HYP  17 -11.265  -2.732 -18.253
  142   1HD   HYP  17          1HD1      HYP  17  -8.843   0.473 -17.327
  143   2HD   HYP  17          2HD1      HYP  17  -8.640  -1.137 -16.630
  144    HOD  HYP  17           HD2      HYP  17 -10.043  -0.512 -20.253
  145    HG   HYP  17           HG       HYP  17  -9.145  -1.940 -18.792
  146    H    MET  18           H        MET  18  -9.968  -2.556 -15.644
  147    HA   MET  18           HA       MET  18 -11.205  -4.957 -14.999
  148   1HB   MET  18          2HB       MET  18  -9.243  -3.472 -13.189
  149   2HB   MET  18          1HB       MET  18  -9.604  -5.183 -13.125
  150   1HG   MET  18          2HG       MET  18  -8.860  -5.448 -15.459
  151   2HG   MET  18          1HG       MET  18  -8.476  -3.758 -15.524
  152   1HE   MET  18          1HE       MET  18  -7.807  -7.135 -14.589
  153   2HE   MET  18          3HE       MET  18  -6.069  -7.228 -14.540
  154   3HE   MET  18          2HE       MET  18  -6.980  -6.977 -13.036
  155    H    LYS  19           H        LYS  19 -12.701  -5.683 -13.645
  156    HA   LYS  19           HA       LYS  19 -14.599  -4.112 -12.385
  157   1HB   LYS  19          2HB       LYS  19 -14.587  -6.675 -12.832
  158   2HB   LYS  19          1HB       LYS  19 -13.793  -6.831 -11.282
  159   1HG   LYS  19          2HG       LYS  19 -16.087  -7.095 -10.769
  160   2HG   LYS  19          1HG       LYS  19 -15.766  -5.440 -10.298
  161   1HD   LYS  19          2HD       LYS  19 -16.876  -4.547 -12.206
  162   2HD   LYS  19          1HD       LYS  19 -16.766  -6.050 -13.104
  163   1HE   LYS  19          2HE       LYS  19 -18.384  -5.869 -10.539
  164   2HE   LYS  19          1HE       LYS  19 -19.079  -5.464 -12.101
  165   1HZ   LYS  19          3HZ       LYS  19 -18.214  -7.707 -12.843
  166   2HZ   LYS  19          2HZ       LYS  19 -18.007  -8.055 -11.194
  167   3HZ   LYS  19          1HZ       LYS  19 -19.555  -7.693 -11.799
  168    H    CYS  20           H        CYS  20 -11.632  -5.310 -10.937
  169    HA   CYS  20           HA       CYS  20 -12.099  -4.710  -8.252
  170   1HB   CYS  20          2HB       CYS  20  -9.854  -5.127  -7.926
  171   2HB   CYS  20          1HB       CYS  20 -10.154  -5.925  -9.430
  172    H    CYS  21           H        CYS  21 -11.775  -2.432 -10.748
  173    HA   CYS  21           HA       CYS  21 -11.288  -0.209  -8.809
  174   1HB   CYS  21          2HB       CYS  21 -10.581  -0.418 -11.764
  175   2HB   CYS  21          1HB       CYS  21 -10.336   1.006 -10.785
  176    H    ALA  22           H        ALA  22 -12.872  -1.319 -11.737
  177    HA   ALA  22           HA       ALA  22 -14.615   0.761 -12.346
  178   1HB   ALA  22          3HB       ALA  22 -14.243  -1.638 -13.461
  179   2HB   ALA  22          2HB       ALA  22 -15.625  -2.089 -12.485
  180   3HB   ALA  22          1HB       ALA  22 -15.776  -0.822 -13.684
   
  No H/Q in entry =         180
  Start of MODEL    3
    1   1H    ARG   1          1H        ARG   1   3.969  -7.105 -11.784
    2   2H    ARG   1          3H        ARG   1   4.733  -7.309 -13.289
    3   3H    ARG   1          2H        ARG   1   5.332  -6.165 -12.181
    4    HA   ARG   1           HA       ARG   1   3.712  -4.667 -12.583
    5   1HB   ARG   1          2HB       ARG   1   4.904  -5.602 -14.843
    6   2HB   ARG   1          1HB       ARG   1   3.271  -6.091 -15.227
    7   1HG   ARG   1          2HG       ARG   1   3.408  -3.915 -16.141
    8   2HG   ARG   1          1HG       ARG   1   2.567  -3.657 -14.629
    9   1HD   ARG   1          2HD       ARG   1   5.527  -3.496 -14.337
   10   2HD   ARG   1          1HD       ARG   1   4.868  -2.303 -15.448
   11    HE   ARG   1           HE       ARG   1   3.283  -2.375 -13.055
   12   1HH1  ARG   1          1HH1      ARG   1   6.223  -2.379 -12.187
   13   2HH1  ARG   1          2HH1      ARG   1   6.517  -0.681 -12.012
   14   1HH2  ARG   1          1HH2      ARG   1   3.641   0.215 -13.791
   15   2HH2  ARG   1          2HH2      ARG   1   5.027   0.819 -12.945
   16    H    ASP   2           H        ASP   2   1.751  -4.497 -11.786
   17    HA   ASP   2           HA       ASP   2  -0.411  -6.333 -12.655
   18   1HB   ASP   2          2HB       ASP   2   0.376  -5.734  -9.773
   19   2HB   ASP   2          1HB       ASP   2  -1.126  -6.527 -10.223
   20    H    CYS   3           H        CYS   3  -2.410  -5.517 -11.229
   21    HA   CYS   3           HA       CYS   3  -2.664  -2.555 -11.428
   22   1HB   CYS   3          2HB       CYS   3  -4.240  -4.695 -12.821
   23   2HB   CYS   3          1HB       CYS   3  -5.098  -3.283 -12.292
   24    H    CYS   4           H        CYS   4  -4.089  -5.590 -10.422
   25    HA   CYS   4           HA       CYS   4  -5.564  -4.250  -8.234
   26   1HB   CYS   4          2HB       CYS   4  -5.827  -7.120  -9.051
   27   2HB   CYS   4          1HB       CYS   4  -6.976  -6.102  -8.238
   28    H    THR   5           H        THR   5  -2.646  -5.814  -8.574
   29    HA   THR   5           HA       THR   5  -2.595  -7.526  -6.297
   30    HB   THR   5           HB       THR   5  -0.343  -6.017  -7.731
   31    HG1  THR   5           HG1      THR   5  -1.286  -8.697  -7.628
   32   1HG2  THR   5          2HG2      THR   5  -0.225  -8.319  -5.687
   33   2HG2  THR   5          1HG2      THR   5   1.128  -7.776  -6.665
   34   3HG2  THR   5          3HG2      THR   5   0.464  -6.723  -5.430
   35    HA   HYP   6           HA       HYP   6  -3.267  -4.311  -3.338
   36   1HB   HYP   6          1HB       HYP   6  -3.947  -5.477  -1.536
   37   2HB   HYP   6          2HB       HYP   6  -2.291  -5.852  -1.097
   38   1HD   HYP   6          1HD1      HYP   6  -3.645  -7.702  -4.508
   39   2HD   HYP   6          2HD1      HYP   6  -1.963  -8.040  -4.069
   40    HOD  HYP   6           HD2      HYP   6  -4.707  -8.534  -2.470
   41    HG   HYP   6           HG       HYP   6  -2.642  -8.060  -1.806
   42    HA   HYP   7           HA       HYP   7  -3.164  -2.582  -2.134
   43   1HB   HYP   7          1HB       HYP   7  -2.535  -0.642  -1.149
   44   2HB   HYP   7          2HB       HYP   7  -1.975  -0.022  -2.693
   45   1HD   HYP   7          1HD1      HYP   7   0.537  -2.963  -1.258
   46   2HD   HYP   7          2HD1      HYP   7   0.772  -2.287  -2.874
   47    HOD  HYP   7           HD2      HYP   7   0.447  -1.116   0.184
   48    HG   HYP   7           HG       HYP   7   0.237  -0.225  -1.854
   49    H    ARG   8           H        ARG   8  -4.624  -2.101  -3.720
   50    HA   ARG   8           HA       ARG   8  -4.132  -2.648  -6.427
   51   1HB   ARG   8          2HB       ARG   8  -6.310  -1.100  -4.994
   52   2HB   ARG   8          1HB       ARG   8  -6.302  -1.178  -6.738
   53   1HG   ARG   8          2HG       ARG   8  -5.958  -3.857  -6.052
   54   2HG   ARG   8          1HG       ARG   8  -6.962  -3.279  -4.745
   55   1HD   ARG   8          2HD       ARG   8  -8.235  -2.147  -6.970
   56   2HD   ARG   8          1HD       ARG   8  -7.640  -3.666  -7.618
   57    HE   ARG   8           HE       ARG   8  -9.238  -4.778  -6.319
   58   1HH1  ARG   8          1HH2      ARG   8  -9.148  -4.714  -3.735
   59   2HH1  ARG   8          2HH2      ARG   8 -10.152  -3.442  -3.122
   60   1HH2  ARG   8          2HH1      ARG   8 -10.295  -1.788  -6.202
   61   2HH2  ARG   8          1HH1      ARG   8 -10.819  -1.748  -4.552
   62    H    LYS   9           H        LYS   9  -3.175  -1.564  -8.012
   63    HA   LYS   9           HA       LYS   9  -2.166   1.143  -7.563
   64   1HB   LYS   9          2HB       LYS   9  -0.866  -0.663  -8.746
   65   2HB   LYS   9          1HB       LYS   9  -2.031  -0.627 -10.054
   66   1HG   LYS   9          2HG       LYS   9  -1.489   1.796 -10.438
   67   2HG   LYS   9          1HG       LYS   9  -0.316   1.726  -9.137
   68   1HD   LYS   9          2HD       LYS   9   0.955  -0.022 -10.388
   69   2HD   LYS   9          1HD       LYS   9  -0.219   0.061 -11.692
   70   1HE   LYS   9          2HE       LYS   9   0.439   2.261 -12.313
   71   2HE   LYS   9          1HE       LYS   9   1.214   2.574 -10.766
   72   1HZ   LYS   9          3HZ       LYS   9   2.229   0.375 -12.384
   73   2HZ   LYS   9          2HZ       LYS   9   2.577   1.961 -12.887
   74   3HZ   LYS   9          1HZ       LYS   9   3.053   1.434 -11.343
   75    H    CYS  10           H        CYS  10  -4.096  -0.354 -10.097
   76    HA   CYS  10           HA       CYS  10  -5.671   0.449 -11.567
   77   1HB   CYS  10          2HB       CYS  10  -6.506   1.838  -9.012
   78   2HB   CYS  10          1HB       CYS  10  -7.523   1.730 -10.423
   79    H    LYS  11           H        LYS  11  -3.223   2.142 -11.236
   80    HA   LYS  11           HA       LYS  11  -4.058   4.889 -11.778
   81   1HB   LYS  11          2HB       LYS  11  -1.879   4.093 -10.616
   82   2HB   LYS  11          1HB       LYS  11  -1.297   3.699 -12.222
   83   1HG   LYS  11          2HG       LYS  11  -1.635   6.061 -12.932
   84   2HG   LYS  11          1HG       LYS  11  -2.261   6.455 -11.339
   85   1HD   LYS  11          2HD       LYS  11  -0.046   5.688 -10.353
   86   2HD   LYS  11          1HD       LYS  11   0.560   5.490 -11.990
   87   1HE   LYS  11          2HE       LYS  11   0.117   7.916 -12.434
   88   2HE   LYS  11          1HE       LYS  11  -0.457   8.099 -10.783
   89   1HZ   LYS  11          1HZ       LYS  11   1.811   7.127 -10.163
   90   2HZ   LYS  11          3HZ       LYS  11   2.266   7.558 -11.740
   91   3HZ   LYS  11          2HZ       LYS  11   1.721   8.748 -10.660
   92    H    ASP  12           H        ASP  12  -2.953   2.119 -13.565
   93    HA   ASP  12           HA       ASP  12  -2.665   3.416 -16.119
   94   1HB   ASP  12          2HB       ASP  12  -2.727   0.562 -15.145
   95   2HB   ASP  12          1HB       ASP  12  -2.780   0.876 -16.864
   96    H    ARG  13           H        ARG  13  -3.949   3.491 -17.847
   97    HA   ARG  13           HA       ARG  13  -6.780   3.623 -17.504
   98   1HB   ARG  13          2HB       ARG  13  -6.821   3.964 -19.980
   99   2HB   ARG  13          1HB       ARG  13  -5.606   4.953 -19.204
  100   1HG   ARG  13          2HG       ARG  13  -4.277   2.502 -19.819
  101   2HG   ARG  13          1HG       ARG  13  -5.285   2.811 -21.208
  102   1HD   ARG  13          2HD       ARG  13  -3.719   5.178 -20.206
  103   2HD   ARG  13          1HD       ARG  13  -2.780   3.854 -20.877
  104    HE   ARG  13           HE       ARG  13  -4.174   4.051 -22.948
  105   1HH1  ARG  13          1HH2      ARG  13  -6.205   5.889 -21.681
  106   2HH1  ARG  13          2HH2      ARG  13  -5.753   7.425 -22.346
  107   1HH2  ARG  13          2HH1      ARG  13  -2.604   6.271 -23.367
  108   2HH2  ARG  13          1HH1      ARG  13  -3.655   7.647 -23.327
  109    H    ARG  14           H        ARG  14  -4.749   1.001 -17.980
  110    HA   ARG  14           HA       ARG  14  -6.590  -0.744 -19.377
  111   1HB   ARG  14          2HB       ARG  14  -3.926  -1.255 -17.976
  112   2HB   ARG  14          1HB       ARG  14  -4.813  -2.481 -18.854
  113   1HG   ARG  14          2HG       ARG  14  -3.508  -1.796 -20.615
  114   2HG   ARG  14          1HG       ARG  14  -4.752  -0.584 -20.802
  115   1HD   ARG  14          2HD       ARG  14  -2.859   0.781 -20.778
  116   2HD   ARG  14          1HD       ARG  14  -3.197   0.780 -19.057
  117    HE   ARG  14           HE       ARG  14  -1.525  -1.138 -18.905
  118   1HH1  ARG  14          2HH1      ARG  14  -1.150  -1.267 -21.904
  119   2HH1  ARG  14          1HH1      ARG  14   0.343  -0.410 -22.106
  120   1HH2  ARG  14          1HH2      ARG  14   0.179   0.996 -18.907
  121   2HH2  ARG  14          2HH2      ARG  14   1.123   0.921 -20.362
  122    H    CYS  15           H        CYS  15  -5.728  -0.019 -16.081
  123    HA   CYS  15           HA       CYS  15  -7.097  -2.335 -14.935
  124   1HB   CYS  15          2HB       CYS  15  -6.357   0.065 -13.374
  125   2HB   CYS  15          1HB       CYS  15  -6.325  -1.599 -12.887
  126    H    LYS  16           H        LYS  16  -7.605   1.111 -15.164
  127    HA   LYS  16           HA       LYS  16  -9.766   1.642 -13.599
  128   1HB   LYS  16          2HB       LYS  16  -9.043   2.623 -16.364
  129   2HB   LYS  16          1HB       LYS  16 -10.485   3.239 -15.576
  130   1HG   LYS  16          2HG       LYS  16  -9.158   4.042 -13.684
  131   2HG   LYS  16          1HG       LYS  16  -7.722   3.245 -14.288
  132   1HD   LYS  16          2HD       LYS  16  -7.209   5.192 -15.337
  133   2HD   LYS  16          1HD       LYS  16  -8.480   4.814 -16.480
  134   1HE   LYS  16          2HE       LYS  16 -10.113   5.989 -14.900
  135   2HE   LYS  16          1HE       LYS  16  -8.712   6.523 -13.978
  136   1HZ   LYS  16          3HZ       LYS  16  -8.258   7.034 -16.694
  137   2HZ   LYS  16          2HZ       LYS  16  -9.781   7.653 -16.274
  138   3HZ   LYS  16          1HZ       LYS  16  -8.401   8.135 -15.411
  139    HA   HYP  17           HA       HYP  17 -13.121   0.052 -16.556
  140   1HB   HYP  17          1HB       HYP  17 -12.690  -0.069 -18.817
  141   2HB   HYP  17          2HB       HYP  17 -12.326  -1.766 -18.566
  142   1HD   HYP  17          1HD1      HYP  17  -9.396   0.907 -17.322
  143   2HD   HYP  17          2HD1      HYP  17  -9.242  -0.796 -16.886
  144    HOD  HYP  17           HD2      HYP  17  -9.631   1.008 -19.293
  145    HG   HYP  17           HG       HYP  17 -10.100  -1.316 -19.014
  146    H    MET  18           H        MET  18 -10.492  -2.124 -15.865
  147    HA   MET  18           HA       MET  18 -11.868  -4.580 -15.606
  148   1HB   MET  18          2HB       MET  18  -9.378  -3.552 -14.207
  149   2HB   MET  18          1HB       MET  18 -10.008  -5.153 -13.932
  150   1HG   MET  18          2HG       MET  18  -9.733  -4.336 -16.783
  151   2HG   MET  18          1HG       MET  18  -8.275  -4.555 -15.878
  152   1HE   MET  18          1HE       MET  18  -7.995  -6.748 -14.288
  153   2HE   MET  18          3HE       MET  18  -7.853  -8.185 -15.277
  154   3HE   MET  18          2HE       MET  18  -7.016  -6.720 -15.773
  155    H    LYS  19           H        LYS  19 -12.997  -5.507 -14.130
  156    HA   LYS  19           HA       LYS  19 -14.688  -4.268 -12.368
  157   1HB   LYS  19          2HB       LYS  19 -13.648  -7.060 -12.619
  158   2HB   LYS  19          1HB       LYS  19 -14.449  -6.693 -11.113
  159   1HG   LYS  19          2HG       LYS  19 -16.281  -7.343 -12.334
  160   2HG   LYS  19          1HG       LYS  19 -16.336  -5.632 -12.674
  161   1HD   LYS  19          2HD       LYS  19 -14.661  -7.331 -14.533
  162   2HD   LYS  19          1HD       LYS  19 -16.393  -7.563 -14.599
  163   1HE   LYS  19          2HE       LYS  19 -16.724  -5.126 -14.988
  164   2HE   LYS  19          1HE       LYS  19 -14.983  -4.884 -14.955
  165   1HZ   LYS  19          3HZ       LYS  19 -14.788  -6.423 -16.813
  166   2HZ   LYS  19          2HZ       LYS  19 -16.478  -6.582 -16.862
  167   3HZ   LYS  19          1HZ       LYS  19 -15.756  -5.080 -17.193
  168    H    CYS  20           H        CYS  20 -11.624  -5.727 -11.315
  169    HA   CYS  20           HA       CYS  20 -11.787  -5.327  -8.587
  170   1HB   CYS  20          2HB       CYS  20  -9.550  -5.750  -8.493
  171   2HB   CYS  20          1HB       CYS  20  -9.906  -6.343 -10.085
  172    H    CYS  21           H        CYS  21 -11.149  -2.811 -10.943
  173    HA   CYS  21           HA       CYS  21 -10.585  -0.841  -8.778
  174   1HB   CYS  21          2HB       CYS  21 -10.456  -0.539 -11.793
  175   2HB   CYS  21          1HB       CYS  21  -9.916   0.635 -10.624
  176    H    ALA  22           H        ALA  22 -12.649  -1.512 -11.519
  177    HA   ALA  22           HA       ALA  22 -14.974  -0.279 -10.276
  178   1HB   ALA  22          3HB       ALA  22 -13.790   0.899 -12.836
  179   2HB   ALA  22          2HB       ALA  22 -15.353   1.330 -12.163
  180   3HB   ALA  22          1HB       ALA  22 -13.879   1.714 -11.287
   
  No H/Q in entry =         180
  Start of MODEL    4
    1   1H    ARG   1          2H        ARG   1   4.109  -7.087 -10.416
    2   2H    ARG   1          1H        ARG   1   4.922  -6.050  -9.346
    3   3H    ARG   1          3H        ARG   1   3.328  -6.531  -9.013
    4    HA   ARG   1           HA       ARG   1   3.284  -4.310  -9.812
    5   1HB   ARG   1          2HB       ARG   1   4.992  -5.511 -12.024
    6   2HB   ARG   1          1HB       ARG   1   4.030  -4.080 -12.346
    7   1HG   ARG   1          2HG       ARG   1   5.134  -2.966 -10.345
    8   2HG   ARG   1          1HG       ARG   1   6.168  -4.375 -10.193
    9   1HD   ARG   1          2HD       ARG   1   7.356  -2.648 -11.480
   10   2HD   ARG   1          1HD       ARG   1   6.974  -3.983 -12.560
   11    HE   ARG   1           HE       ARG   1   5.175  -2.640 -13.519
   12   1HH1  ARG   1          1HH1      ARG   1   4.982  -0.950 -10.922
   13   2HH1  ARG   1          2HH1      ARG   1   5.504   0.589 -11.520
   14   1HH2  ARG   1          1HH2      ARG   1   6.820  -0.779 -14.465
   15   2HH2  ARG   1          2HH2      ARG   1   6.573   0.689 -13.578
   16    H    ASP   2           H        ASP   2   1.179  -4.258 -10.028
   17    HA   ASP   2           HA       ASP   2  -0.154  -5.204 -12.431
   18   1HB   ASP   2          2HB       ASP   2   0.009  -7.251 -10.770
   19   2HB   ASP   2          1HB       ASP   2  -1.168  -6.364  -9.814
   20    H    CYS   3           H        CYS   3  -2.509  -4.813 -12.241
   21    HA   CYS   3           HA       CYS   3  -3.002  -2.088 -11.404
   22   1HB   CYS   3          2HB       CYS   3  -4.577  -4.243 -12.750
   23   2HB   CYS   3          1HB       CYS   3  -5.404  -2.834 -12.175
   24    H    CYS   4           H        CYS   4  -4.156  -5.238 -10.303
   25    HA   CYS   4           HA       CYS   4  -5.434  -3.886  -7.979
   26   1HB   CYS   4          2HB       CYS   4  -6.185  -6.355  -9.541
   27   2HB   CYS   4          1HB       CYS   4  -6.901  -5.978  -8.002
   28    H    THR   5           H        THR   5  -2.621  -5.162  -8.388
   29    HA   THR   5           HA       THR   5  -2.639  -7.357  -6.470
   30    HB   THR   5           HB       THR   5  -0.787  -7.384  -8.104
   31    HG1  THR   5           HG1      THR   5  -0.548  -7.855  -5.767
   32   1HG2  THR   5          1HG2      THR   5  -0.679  -4.665  -8.132
   33   2HG2  THR   5          3HG2      THR   5   0.436  -4.911  -6.797
   34   3HG2  THR   5          2HG2      THR   5   0.784  -5.598  -8.369
   35    HA   HYP   6           HA       HYP   6  -3.211  -4.523  -3.146
   36   1HB   HYP   6          1HB       HYP   6  -3.880  -5.895  -1.483
   37   2HB   HYP   6          2HB       HYP   6  -2.224  -6.336  -1.106
   38   1HD   HYP   6          1HD1      HYP   6  -3.512  -7.808  -4.717
   39   2HD   HYP   6          2HD1      HYP   6  -1.828  -8.120  -4.259
   40    HOD  HYP   6           HD2      HYP   6  -4.720  -8.690  -2.190
   41    HG   HYP   6           HG       HYP   6  -2.639  -8.445  -2.055
   42    HA   HYP   7           HA       HYP   7  -3.070  -2.822  -1.978
   43   1HB   HYP   7          1HB       HYP   7  -2.414  -0.976  -0.849
   44   2HB   HYP   7          2HB       HYP   7  -1.863  -0.260  -2.356
   45   1HD   HYP   7          1HD1      HYP   7   0.672  -3.284  -1.126
   46   2HD   HYP   7          2HD1      HYP   7   0.849  -2.529  -2.711
   47    HOD  HYP   7           HD2      HYP   7   0.595  -1.606   0.406
   48    HG   HYP   7           HG       HYP   7   0.359  -0.522  -1.562
   49    H    ARG   8           H        ARG   8  -4.463  -2.414  -3.577
   50    HA   ARG   8           HA       ARG   8  -3.958  -2.746  -6.289
   51   1HB   ARG   8          2HB       ARG   8  -6.151  -1.095  -4.983
   52   2HB   ARG   8          1HB       ARG   8  -6.141  -1.590  -6.655
   53   1HG   ARG   8          2HG       ARG   8  -5.787  -4.038  -5.391
   54   2HG   ARG   8          1HG       ARG   8  -6.770  -3.173  -4.226
   55   1HD   ARG   8          2HD       ARG   8  -8.344  -2.543  -6.153
   56   2HD   ARG   8          1HD       ARG   8  -7.447  -3.666  -7.155
   57    HE   ARG   8           HE       ARG   8  -8.387  -5.477  -5.936
   58   1HH1  ARG   8          1HH2      ARG   8  -8.130  -4.759  -3.185
   59   2HH1  ARG   8          2HH2      ARG   8  -9.730  -4.323  -2.685
   60   1HH2  ARG   8          2HH1      ARG   8 -10.876  -3.917  -5.964
   61   2HH2  ARG   8          1HH1      ARG   8 -11.316  -3.845  -4.291
   62    H    LYS   9           H        LYS   9  -3.271  -1.542  -7.924
   63    HA   LYS   9           HA       LYS   9  -2.320   1.211  -7.409
   64   1HB   LYS   9          2HB       LYS   9  -1.271  -0.937  -8.857
   65   2HB   LYS   9          1HB       LYS   9  -1.943   0.033 -10.142
   66   1HG   LYS   9          2HG       LYS   9   0.295   0.811  -9.861
   67   2HG   LYS   9          1HG       LYS   9  -0.725   2.045  -9.162
   68   1HD   LYS   9          2HD       LYS   9   0.817   1.809  -7.424
   69   2HD   LYS   9          1HD       LYS   9  -0.343   0.610  -6.897
   70   1HE   LYS   9          2HE       LYS   9   1.934  -0.179  -8.738
   71   2HE   LYS   9          1HE       LYS   9   2.167  -0.071  -7.004
   72   1HZ   LYS   9          1HZ       LYS   9   0.154  -1.573  -6.825
   73   2HZ   LYS   9          3HZ       LYS   9   0.348  -1.877  -8.480
   74   3HZ   LYS   9          2HZ       LYS   9   1.596  -2.248  -7.397
   75    H    CYS  10           H        CYS  10  -4.005  -0.344 -10.083
   76    HA   CYS  10           HA       CYS  10  -5.663   0.338 -11.508
   77   1HB   CYS  10          2HB       CYS  10  -6.574   1.968  -9.151
   78   2HB   CYS  10          1HB       CYS  10  -7.576   1.428 -10.473
   79    H    LYS  11           H        LYS  11  -3.270   2.299 -11.005
   80    HA   LYS  11           HA       LYS  11  -4.376   4.864 -11.852
   81   1HB   LYS  11          2HB       LYS  11  -1.756   3.814 -10.944
   82   2HB   LYS  11          1HB       LYS  11  -1.600   5.019 -12.200
   83   1HG   LYS  11          2HG       LYS  11  -3.413   6.320 -10.672
   84   2HG   LYS  11          1HG       LYS  11  -2.734   5.299  -9.426
   85   1HD   LYS  11          2HD       LYS  11  -0.633   6.305  -9.535
   86   2HD   LYS  11          1HD       LYS  11  -0.799   6.771 -11.219
   87   1HE   LYS  11          2HE       LYS  11  -2.512   8.016  -9.038
   88   2HE   LYS  11          1HE       LYS  11  -0.953   8.685  -9.497
   89   1HZ   LYS  11          1HZ       LYS  11  -2.425   8.176 -11.824
   90   2HZ   LYS  11          3HZ       LYS  11  -3.418   9.030 -10.744
   91   3HZ   LYS  11          2HZ       LYS  11  -1.912   9.671 -11.199
   92    H    ASP  12           H        ASP  12  -3.423   2.087 -13.518
   93    HA   ASP  12           HA       ASP  12  -2.683   3.500 -15.995
   94   1HB   ASP  12          2HB       ASP  12  -2.847   0.581 -15.193
   95   2HB   ASP  12          1HB       ASP  12  -2.463   1.091 -16.822
   96    H    ARG  13           H        ARG  13  -3.828   3.409 -17.904
   97    HA   ARG  13           HA       ARG  13  -6.673   3.543 -17.739
   98   1HB   ARG  13          2HB       ARG  13  -4.895   3.101 -20.178
   99   2HB   ARG  13          1HB       ARG  13  -6.593   3.532 -20.256
  100   1HG   ARG  13          2HG       ARG  13  -5.691   5.523 -18.593
  101   2HG   ARG  13          1HG       ARG  13  -4.226   5.213 -19.500
  102   1HD   ARG  13          2HD       ARG  13  -6.929   5.794 -20.806
  103   2HD   ARG  13          1HD       ARG  13  -5.681   7.000 -20.529
  104    HE   ARG  13           HE       ARG  13  -4.204   5.713 -22.053
  105   1HH1  ARG  13          2HH1      ARG  13  -5.445   3.118 -22.198
  106   2HH1  ARG  13          1HH1      ARG  13  -6.398   3.177 -23.644
  107   1HH2  ARG  13          1HH2      ARG  13  -6.321   6.676 -23.786
  108   2HH2  ARG  13          2HH2      ARG  13  -6.906   5.245 -24.567
  109    H    ARG  14           H        ARG  14  -4.566   0.908 -18.022
  110    HA   ARG  14           HA       ARG  14  -6.249  -0.992 -19.326
  111   1HB   ARG  14          2HB       ARG  14  -3.880  -1.270 -17.441
  112   2HB   ARG  14          1HB       ARG  14  -4.634  -2.656 -18.211
  113   1HG   ARG  14          2HG       ARG  14  -3.973  -1.979 -20.389
  114   2HG   ARG  14          1HG       ARG  14  -3.693  -0.318 -19.902
  115   1HD   ARG  14          2HD       ARG  14  -1.541  -1.573 -20.228
  116   2HD   ARG  14          1HD       ARG  14  -1.719  -0.993 -18.577
  117    HE   ARG  14           HE       ARG  14  -2.441  -3.305 -17.951
  118   1HH1  ARG  14          1HH2      ARG  14  -2.981  -4.606 -20.440
  119   2HH1  ARG  14          2HH2      ARG  14  -1.506  -5.422 -20.838
  120   1HH2  ARG  14          2HH1      ARG  14   0.394  -3.489 -18.619
  121   2HH2  ARG  14          1HH1      ARG  14   0.455  -4.772 -19.779
  122    H    CYS  15           H        CYS  15  -5.794   0.019 -16.023
  123    HA   CYS  15           HA       CYS  15  -7.474  -2.063 -14.864
  124   1HB   CYS  15          2HB       CYS  15  -6.882   0.371 -13.308
  125   2HB   CYS  15          1HB       CYS  15  -6.764  -1.303 -12.865
  126    H    LYS  16           H        LYS  16  -7.937   1.217 -15.875
  127    HA   LYS  16           HA       LYS  16 -10.123   2.133 -14.533
  128   1HB   LYS  16          2HB       LYS  16  -8.898   2.726 -17.018
  129   2HB   LYS  16          1HB       LYS  16 -10.589   2.544 -17.408
  130   1HG   LYS  16          2HG       LYS  16 -10.879   4.088 -15.195
  131   2HG   LYS  16          1HG       LYS  16  -9.244   4.551 -15.611
  132   1HD   LYS  16          2HD       LYS  16 -10.494   6.124 -16.823
  133   2HD   LYS  16          1HD       LYS  16 -10.206   4.900 -18.042
  134   1HE   LYS  16          2HE       LYS  16 -12.443   3.990 -17.763
  135   2HE   LYS  16          1HE       LYS  16 -12.712   4.928 -16.300
  136   1HZ   LYS  16          1HZ       LYS  16 -12.064   6.370 -18.752
  137   2HZ   LYS  16          3HZ       LYS  16 -13.621   5.711 -18.591
  138   3HZ   LYS  16          2HZ       LYS  16 -13.048   6.824 -17.444
  139    HA   HYP  17           HA       HYP  17 -13.415  -0.313 -16.914
  140   1HB   HYP  17          1HB       HYP  17 -13.107  -0.979 -19.078
  141   2HB   HYP  17          2HB       HYP  17 -12.460  -2.493 -18.482
  142   1HD   HYP  17          1HD1      HYP  17  -9.741   0.588 -17.958
  143   2HD   HYP  17          2HD1      HYP  17  -9.536  -1.008 -17.227
  144    HOD  HYP  17           HD2      HYP  17 -11.490  -0.351 -20.626
  145    HG   HYP  17           HG       HYP  17 -10.392  -1.813 -19.323
  146    H    MET  18           H        MET  18 -10.647  -2.260 -15.998
  147    HA   MET  18           HA       MET  18 -11.785  -4.646 -15.186
  148   1HB   MET  18          2HB       MET  18  -9.517  -3.083 -13.878
  149   2HB   MET  18          1HB       MET  18  -9.952  -4.706 -13.407
  150   1HG   MET  18          2HG       MET  18  -9.725  -5.363 -15.859
  151   2HG   MET  18          1HG       MET  18  -9.034  -3.794 -16.133
  152   1HE   MET  18          1HE       MET  18  -8.773  -6.785 -13.672
  153   2HE   MET  18          3HE       MET  18  -8.421  -7.431 -15.291
  154   3HE   MET  18          2HE       MET  18  -7.173  -7.382 -14.051
  155    H    LYS  19           H        LYS  19 -13.124  -5.323 -13.811
  156    HA   LYS  19           HA       LYS  19 -14.689  -3.722 -12.079
  157   1HB   LYS  19          2HB       LYS  19 -15.433  -6.008 -11.148
  158   2HB   LYS  19          1HB       LYS  19 -15.640  -5.760 -12.869
  159   1HG   LYS  19          2HG       LYS  19 -13.637  -7.073 -13.380
  160   2HG   LYS  19          1HG       LYS  19 -13.220  -7.208 -11.685
  161   1HD   LYS  19          2HD       LYS  19 -15.946  -8.181 -12.551
  162   2HD   LYS  19          1HD       LYS  19 -14.556  -9.145 -13.003
  163   1HE   LYS  19          2HE       LYS  19 -13.846  -9.269 -10.619
  164   2HE   LYS  19          1HE       LYS  19 -15.234  -8.291 -10.157
  165   1HZ   LYS  19          2HZ       LYS  19 -15.581 -10.793 -11.669
  166   2HZ   LYS  19          1HZ       LYS  19 -15.408 -10.805  -9.981
  167   3HZ   LYS  19          3HZ       LYS  19 -16.699  -9.968 -10.695
  168    H    CYS  20           H        CYS  20 -11.816  -5.653 -11.437
  169    HA   CYS  20           HA       CYS  20 -11.942  -5.535  -8.602
  170   1HB   CYS  20          2HB       CYS  20  -9.708  -6.372  -8.664
  171   2HB   CYS  20          1HB       CYS  20 -10.598  -7.125  -9.952
  172    H    CYS  21           H        CYS  21 -11.301  -3.145 -10.869
  173    HA   CYS  21           HA       CYS  21 -10.052  -1.335  -8.837
  174   1HB   CYS  21          2HB       CYS  21  -9.494  -1.750 -11.765
  175   2HB   CYS  21          1HB       CYS  21  -9.260  -0.161 -11.100
  176    H    ALA  22           H        ALA  22 -12.874  -2.003  -9.868
  177    HA   ALA  22           HA       ALA  22 -14.886  -0.912 -10.116
  178   1HB   ALA  22          2HB       ALA  22 -13.622   0.551  -8.262
  179   2HB   ALA  22          1HB       ALA  22 -13.620   1.772  -9.532
  180   3HB   ALA  22          3HB       ALA  22 -15.134   1.106  -8.949
   
  No H/Q in entry =         180
  Start of MODEL    5
    1   1H    ARG   1          2H        ARG   1   1.819  -8.100 -13.789
    2   2H    ARG   1          1H        ARG   1   1.417  -9.749 -13.788
    3   3H    ARG   1          3H        ARG   1   1.012  -8.777 -15.124
    4    HA   ARG   1           HA       ARG   1  -0.763  -7.843 -14.117
    5   1HB   ARG   1          2HB       ARG   1  -0.286 -10.457 -12.596
    6   2HB   ARG   1          1HB       ARG   1  -1.716  -9.490 -12.317
    7   1HG   ARG   1          2HG       ARG   1  -2.535 -10.899 -13.956
    8   2HG   ARG   1          1HG       ARG   1  -1.983  -9.578 -14.959
    9   1HD   ARG   1          2HD       ARG   1  -0.020 -11.797 -14.326
   10   2HD   ARG   1          1HD       ARG   1  -1.279 -12.092 -15.519
   11    HE   ARG   1           HE       ARG   1   0.111  -9.573 -15.961
   12   1HH1  ARG   1          1HH1      ARG   1  -0.935 -11.210 -18.148
   13   2HH1  ARG   1          2HH1      ARG   1   0.483 -11.945 -18.820
   14   1HH2  ARG   1          1HH2      ARG   1   2.424 -11.242 -15.986
   15   2HH2  ARG   1          2HH2      ARG   1   2.436 -11.964 -17.561
   16    H    ASP   2           H        ASP   2  -0.138  -5.975 -13.198
   17    HA   ASP   2           HA       ASP   2   0.412  -6.009 -10.260
   18   1HB   ASP   2          2HB       ASP   2   1.833  -4.268 -12.330
   19   2HB   ASP   2          1HB       ASP   2   2.094  -4.201 -10.593
   20    H    CYS   3           H        CYS   3  -2.006  -5.522 -11.894
   21    HA   CYS   3           HA       CYS   3  -2.541  -2.642 -11.481
   22   1HB   CYS   3          2HB       CYS   3  -3.924  -4.900 -12.877
   23   2HB   CYS   3          1HB       CYS   3  -4.909  -3.579 -12.320
   24    H    CYS   4           H        CYS   4  -4.558  -5.453 -10.830
   25    HA   CYS   4           HA       CYS   4  -5.722  -4.197  -8.476
   26   1HB   CYS   4          2HB       CYS   4  -6.096  -6.979  -9.605
   27   2HB   CYS   4          1HB       CYS   4  -7.115  -6.203  -8.428
   28    H    THR   5           H        THR   5  -2.941  -5.927  -8.943
   29    HA   THR   5           HA       THR   5  -2.790  -7.729  -6.773
   30    HB   THR   5           HB       THR   5  -0.609  -6.135  -8.227
   31    HG1  THR   5           HG1      THR   5  -0.560  -8.053  -9.352
   32   1HG2  THR   5          3HG2      THR   5  -0.374  -8.637  -6.442
   33   2HG2  THR   5          2HG2      THR   5   0.930  -7.894  -7.356
   34   3HG2  THR   5          1HG2      THR   5   0.242  -7.060  -5.974
   35    HA   HYP   6           HA       HYP   6  -3.563  -4.416  -3.899
   36   1HB   HYP   6          1HB       HYP   6  -4.632  -5.429  -2.184
   37   2HB   HYP   6          2HB       HYP   6  -3.149  -6.159  -1.593
   38   1HD   HYP   6          1HD1      HYP   6  -4.103  -7.803  -5.221
   39   2HD   HYP   6          2HD1      HYP   6  -2.630  -8.268  -4.358
   40    HOD  HYP   6           HD2      HYP   6  -5.589  -6.567  -4.131
   41    HG   HYP   6           HG       HYP   6  -4.021  -8.201  -2.414
   42    HA   HYP   7           HA       HYP   7  -3.418  -2.695  -2.579
   43   1HB   HYP   7          1HB       HYP   7  -2.694  -0.773  -1.618
   44   2HB   HYP   7          2HB       HYP   7  -1.785  -0.345  -3.056
   45   1HD   HYP   7          1HD1      HYP   7   0.057  -3.552  -1.271
   46   2HD   HYP   7          2HD1      HYP   7   0.563  -2.885  -2.831
   47    HOD  HYP   7           HD2      HYP   7  -0.195  -1.999   0.199
   48    HG   HYP   7           HG       HYP   7   0.165  -0.796  -1.757
   49    H    ARG   8           H        ARG   8  -4.618  -1.953  -4.245
   50    HA   ARG   8           HA       ARG   8  -3.974  -2.654  -6.894
   51   1HB   ARG   8          2HB       ARG   8  -6.052  -0.667  -5.884
   52   2HB   ARG   8          1HB       ARG   8  -6.028  -1.374  -7.487
   53   1HG   ARG   8          2HG       ARG   8  -6.094  -3.683  -6.307
   54   2HG   ARG   8          1HG       ARG   8  -6.472  -2.801  -4.841
   55   1HD   ARG   8          2HD       ARG   8  -8.473  -1.798  -5.941
   56   2HD   ARG   8          1HD       ARG   8  -8.086  -2.657  -7.427
   57    HE   ARG   8           HE       ARG   8  -8.540  -4.771  -6.264
   58   1HH1  ARG   8          1HH2      ARG   8  -8.108  -3.830  -3.483
   59   2HH1  ARG   8          2HH2      ARG   8  -9.722  -3.697  -2.866
   60   1HH2  ARG   8          2HH1      ARG   8 -11.157  -3.778  -6.063
   61   2HH2  ARG   8          1HH1      ARG   8 -11.493  -3.672  -4.368
   62    H    LYS   9           H        LYS   9  -4.157  -1.115  -8.749
   63    HA   LYS   9           HA       LYS   9  -2.786   1.487  -8.374
   64   1HB   LYS   9          2HB       LYS   9  -1.129  -0.484  -8.906
   65   2HB   LYS   9          1HB       LYS   9  -1.854  -0.509 -10.503
   66   1HG   LYS   9          2HG       LYS   9  -1.318   1.977 -10.692
   67   2HG   LYS   9          1HG       LYS   9  -0.477   1.855  -9.159
   68   1HD   LYS   9          2HD       LYS   9   1.163   0.336 -10.057
   69   2HD   LYS   9          1HD       LYS   9   0.251   0.100 -11.536
   70   1HE   LYS   9          2HE       LYS   9   2.166   1.700 -11.841
   71   2HE   LYS   9          1HE       LYS   9   0.618   2.464 -12.171
   72   1HZ   LYS   9          1HZ       LYS   9   1.727   2.588  -9.464
   73   2HZ   LYS   9          3HZ       LYS   9   2.330   3.626 -10.665
   74   3HZ   LYS   9          2HZ       LYS   9   0.682   3.664 -10.259
   75    H    CYS  10           H        CYS  10  -5.274   1.460  -8.691
   76    HA   CYS  10           HA       CYS  10  -6.396   1.178 -11.301
   77   1HB   CYS  10          2HB       CYS  10  -7.299   2.852  -8.962
   78   2HB   CYS  10          1HB       CYS  10  -8.283   2.447 -10.345
   79    H    LYS  11           H        LYS  11  -3.969   3.122 -10.880
   80    HA   LYS  11           HA       LYS  11  -5.021   5.659 -11.885
   81   1HB   LYS  11          2HB       LYS  11  -2.177   4.618 -11.613
   82   2HB   LYS  11          1HB       LYS  11  -2.599   6.274 -11.998
   83   1HG   LYS  11          2HG       LYS  11  -3.083   6.803  -9.825
   84   2HG   LYS  11          1HG       LYS  11  -3.971   5.323  -9.548
   85   1HD   LYS  11          2HD       LYS  11  -2.027   5.309  -8.100
   86   2HD   LYS  11          1HD       LYS  11  -1.786   4.082  -9.329
   87   1HE   LYS  11          2HE       LYS  11  -0.334   5.649 -10.620
   88   2HE   LYS  11          1HE       LYS  11  -0.621   6.907  -9.425
   89   1HZ   LYS  11          1HZ       LYS  11   0.331   4.395  -8.366
   90   2HZ   LYS  11          3HZ       LYS  11   1.426   5.219  -9.367
   91   3HZ   LYS  11          2HZ       LYS  11   0.791   5.987  -7.992
   92    H    ASP  12           H        ASP  12  -3.501   2.776 -13.110
   93    HA   ASP  12           HA       ASP  12  -2.955   3.760 -15.763
   94   1HB   ASP  12          2HB       ASP  12  -3.223   0.852 -14.995
   95   2HB   ASP  12          1HB       ASP  12  -2.184   1.560 -16.210
   96    H    ARG  13           H        ARG  13  -3.992   3.438 -17.639
   97    HA   ARG  13           HA       ARG  13  -6.862   3.240 -17.626
   98   1HB   ARG  13          2HB       ARG  13  -4.806   3.167 -19.870
   99   2HB   ARG  13          1HB       ARG  13  -6.528   3.171 -20.181
  100   1HG   ARG  13          2HG       ARG  13  -5.165   5.311 -18.485
  101   2HG   ARG  13          1HG       ARG  13  -5.345   5.462 -20.219
  102   1HD   ARG  13          2HD       ARG  13  -7.347   6.462 -19.696
  103   2HD   ARG  13          1HD       ARG  13  -7.945   4.817 -19.505
  104    HE   ARG  13           HE       ARG  13  -6.760   5.586 -17.042
  105   1HH1  ARG  13          1HH2      ARG  13  -8.056   8.167 -17.787
  106   2HH1  ARG  13          2HH2      ARG  13  -9.642   7.995 -17.117
  107   1HH2  ARG  13          2HH1      ARG  13  -9.329   4.519 -16.769
  108   2HH2  ARG  13          1HH1      ARG  13 -10.380   5.870 -16.512
  109    H    ARG  14           H        ARG  14  -4.491   0.888 -17.494
  110    HA   ARG  14           HA       ARG  14  -5.987  -1.211 -18.859
  111   1HB   ARG  14          2HB       ARG  14  -3.378  -0.863 -18.773
  112   2HB   ARG  14          1HB       ARG  14  -3.482  -1.611 -17.199
  113   1HG   ARG  14          2HG       ARG  14  -3.313  -3.602 -18.318
  114   2HG   ARG  14          1HG       ARG  14  -4.999  -3.376 -18.719
  115   1HD   ARG  14          2HD       ARG  14  -3.730  -3.835 -20.783
  116   2HD   ARG  14          1HD       ARG  14  -4.315  -2.175 -20.826
  117    HE   ARG  14           HE       ARG  14  -2.071  -1.398 -20.473
  118   1HH1  ARG  14          1HH2      ARG  14  -1.344  -3.714 -18.620
  119   2HH1  ARG  14          2HH2      ARG  14  -0.121  -4.513 -19.549
  120   1HH2  ARG  14          2HH1      ARG  14  -0.989  -2.847 -22.504
  121   2HH2  ARG  14          1HH1      ARG  14   0.087  -4.010 -21.802
  122    H    CYS  15           H        CYS  15  -5.320  -0.022 -15.676
  123    HA   CYS  15           HA       CYS  15  -6.483  -2.332 -14.276
  124   1HB   CYS  15          2HB       CYS  15  -5.623   0.316 -13.132
  125   2HB   CYS  15          1HB       CYS  15  -5.757  -1.213 -12.304
  126    H    LYS  16           H        LYS  16  -7.302   1.039 -14.896
  127    HA   LYS  16           HA       LYS  16  -9.527   1.420 -13.312
  128   1HB   LYS  16          2HB       LYS  16  -8.701   2.456 -16.017
  129   2HB   LYS  16          1HB       LYS  16 -10.339   2.798 -15.508
  130   1HG   LYS  16          2HG       LYS  16  -8.100   3.244 -13.565
  131   2HG   LYS  16          1HG       LYS  16  -8.255   4.382 -14.883
  132   1HD   LYS  16          2HD       LYS  16 -10.491   5.002 -14.242
  133   2HD   LYS  16          1HD       LYS  16 -10.635   3.655 -13.128
  134   1HE   LYS  16          2HE       LYS  16  -9.288   4.685 -11.497
  135   2HE   LYS  16          1HE       LYS  16  -8.440   5.685 -12.674
  136   1HZ   LYS  16          1HZ       LYS  16 -11.285   6.002 -11.926
  137   2HZ   LYS  16          3HZ       LYS  16 -10.004   6.939 -11.319
  138   3HZ   LYS  16          2HZ       LYS  16 -10.393   7.000 -12.972
  139    HA   HYP  17           HA       HYP  17 -12.520  -0.350 -16.571
  140   1HB   HYP  17          1HB       HYP  17 -11.965  -0.729 -18.769
  141   2HB   HYP  17          2HB       HYP  17 -11.246  -2.269 -18.333
  142   1HD   HYP  17          1HD1      HYP  17  -8.762   0.643 -16.877
  143   2HD   HYP  17          2HD1      HYP  17  -8.645  -1.089 -16.564
  144    HOD  HYP  17           HD2      HYP  17  -9.718   0.606 -19.785
  145    HG   HYP  17           HG       HYP  17  -9.206  -1.233 -18.898
  146    H    MET  18           H        MET  18 -10.003  -2.314 -15.311
  147    HA   MET  18           HA       MET  18 -11.412  -4.813 -15.144
  148   1HB   MET  18          2HB       MET  18  -8.974  -3.627 -13.775
  149   2HB   MET  18          1HB       MET  18  -9.639  -5.121 -13.159
  150   1HG   MET  18          2HG       MET  18  -9.558  -5.510 -15.945
  151   2HG   MET  18          1HG       MET  18  -8.124  -4.607 -15.592
  152   1HE   MET  18          2HE       MET  18 -10.321  -7.422 -14.458
  153   2HE   MET  18          1HE       MET  18  -9.574  -8.176 -15.883
  154   3HE   MET  18          3HE       MET  18  -9.254  -8.790 -14.257
  155    H    LYS  19           H        LYS  19 -12.754  -5.568 -13.703
  156    HA   LYS  19           HA       LYS  19 -14.543  -4.080 -12.265
  157   1HB   LYS  19          2HB       LYS  19 -13.556  -6.894 -11.763
  158   2HB   LYS  19          1HB       LYS  19 -14.916  -6.225 -10.885
  159   1HG   LYS  19          2HG       LYS  19 -14.852  -6.120 -13.924
  160   2HG   LYS  19          1HG       LYS  19 -15.354  -7.580 -13.107
  161   1HD   LYS  19          2HD       LYS  19 -16.619  -4.928 -12.337
  162   2HD   LYS  19          1HD       LYS  19 -17.162  -5.774 -13.771
  163   1HE   LYS  19          2HE       LYS  19 -17.762  -7.752 -12.468
  164   2HE   LYS  19          1HE       LYS  19 -17.053  -7.061 -11.014
  165   1HZ   LYS  19          1HZ       LYS  19 -18.788  -5.159 -11.885
  166   2HZ   LYS  19          3HZ       LYS  19 -19.615  -6.618 -12.161
  167   3HZ   LYS  19          2HZ       LYS  19 -19.042  -6.244 -10.607
  168    H    CYS  20           H        CYS  20 -11.506  -5.265 -10.879
  169    HA   CYS  20           HA       CYS  20 -11.991  -4.722  -8.184
  170   1HB   CYS  20          2HB       CYS  20  -9.724  -4.932  -7.844
  171   2HB   CYS  20          1HB       CYS  20  -9.988  -5.853  -9.291
  172    H    CYS  21           H        CYS  21 -11.578  -2.420 -10.678
  173    HA   CYS  21           HA       CYS  21 -11.221  -0.185  -8.732
  174   1HB   CYS  21          2HB       CYS  21 -10.625  -0.325 -11.703
  175   2HB   CYS  21          1HB       CYS  21 -10.361   1.070 -10.693
  176    H    ALA  22           H        ALA  22 -12.758  -1.326 -11.636
  177    HA   ALA  22           HA       ALA  22 -15.360  -0.272 -10.985
  178   1HB   ALA  22          3HB       ALA  22 -13.707   1.126 -13.148
  179   2HB   ALA  22          2HB       ALA  22 -15.457   1.261 -13.059
  180   3HB   ALA  22          1HB       ALA  22 -14.459   1.870 -11.749
   
  No H/Q in entry =         180
  Start of MODEL    6
    1   1H    ARG   1          1H        ARG   1   2.534  -8.950 -10.982
    2   2H    ARG   1          3H        ARG   1   3.113  -8.990 -12.578
    3   3H    ARG   1          2H        ARG   1   4.046  -8.271 -11.353
    4    HA   ARG   1           HA       ARG   1   2.625  -6.468 -11.132
    5   1HB   ARG   1          2HB       ARG   1   4.067  -6.608 -13.262
    6   2HB   ARG   1          1HB       ARG   1   2.617  -7.066 -14.127
    7   1HG   ARG   1          2HG       ARG   1   1.659  -4.954 -13.964
    8   2HG   ARG   1          1HG       ARG   1   2.404  -4.596 -12.419
    9   1HD   ARG   1          2HD       ARG   1   3.949  -4.705 -15.047
   10   2HD   ARG   1          1HD       ARG   1   3.354  -3.221 -14.307
   11    HE   ARG   1           HE       ARG   1   4.757  -4.098 -12.245
   12   1HH1  ARG   1          1HH1      ARG   1   5.990  -6.240 -13.954
   13   2HH1  ARG   1          2HH1      ARG   1   7.468  -5.489 -14.460
   14   1HH2  ARG   1          1HH2      ARG   1   6.381  -2.281 -13.573
   15   2HH2  ARG   1          2HH2      ARG   1   7.695  -3.194 -14.239
   16    H    ASP   2           H        ASP   2   0.601  -5.784 -10.890
   17    HA   ASP   2           HA       ASP   2  -1.626  -6.865 -12.463
   18   1HB   ASP   2          2HB       ASP   2  -1.100  -8.433 -10.392
   19   2HB   ASP   2          1HB       ASP   2  -1.833  -7.147  -9.456
   20    H    CYS   3           H        CYS   3  -3.610  -5.801 -12.036
   21    HA   CYS   3           HA       CYS   3  -3.273  -2.948 -11.534
   22   1HB   CYS   3          2HB       CYS   3  -5.428  -4.723 -12.572
   23   2HB   CYS   3          1HB       CYS   3  -5.866  -3.129 -12.037
   24    H    CYS   4           H        CYS   4  -4.736  -5.602  -9.794
   25    HA   CYS   4           HA       CYS   4  -5.710  -3.688  -7.734
   26   1HB   CYS   4          2HB       CYS   4  -6.741  -6.281  -8.793
   27   2HB   CYS   4          1HB       CYS   4  -7.127  -5.850  -7.151
   28    H    THR   5           H        THR   5  -3.156  -5.716  -8.202
   29    HA   THR   5           HA       THR   5  -3.074  -7.198  -5.768
   30    HB   THR   5           HB       THR   5  -1.420  -7.776  -7.494
   31    HG1  THR   5           HG1      THR   5  -0.874  -7.223  -5.003
   32   1HG2  THR   5          3HG2      THR   5  -1.168  -5.163  -8.211
   33   2HG2  THR   5          2HG2      THR   5   0.104  -5.183  -7.001
   34   3HG2  THR   5          1HG2      THR   5   0.192  -6.255  -8.387
   35    HA   HYP   6           HA       HYP   6  -2.985  -3.696  -3.094
   36   1HB   HYP   6          1HB       HYP   6  -3.573  -4.678  -1.153
   37   2HB   HYP   6          2HB       HYP   6  -1.890  -5.041  -0.811
   38   1HD   HYP   6          1HD1      HYP   6  -3.781  -7.151  -3.795
   39   2HD   HYP   6          2HD1      HYP   6  -2.074  -7.593  -3.624
   40    HOD  HYP   6           HD2      HYP   6  -4.296  -7.562  -0.833
   41    HG   HYP   6           HG       HYP   6  -2.264  -7.310  -1.293
   42    HA   HYP   7           HA       HYP   7  -2.547  -1.825  -2.298
   43   1HB   HYP   7          1HB       HYP   7  -1.612   0.138  -1.678
   44   2HB   HYP   7          2HB       HYP   7  -1.149   0.460  -3.341
   45   1HD   HYP   7          1HD1      HYP   7   1.191  -2.545  -1.760
   46   2HD   HYP   7          2HD1      HYP   7   1.268  -2.108  -3.471
   47    HOD  HYP   7           HD2      HYP   7   1.393  -0.670  -0.541
   48    HG   HYP   7           HG       HYP   7   1.103   0.114  -2.656
   49    H    ARG   8           H        ARG   8  -4.094  -1.481  -3.778
   50    HA   ARG   8           HA       ARG   8  -4.151  -2.473  -6.325
   51   1HB   ARG   8          2HB       ARG   8  -5.676  -0.259  -4.963
   52   2HB   ARG   8          1HB       ARG   8  -5.966  -0.536  -6.659
   53   1HG   ARG   8          2HG       ARG   8  -6.066  -3.130  -5.452
   54   2HG   ARG   8          1HG       ARG   8  -6.900  -2.066  -4.341
   55   1HD   ARG   8          2HD       ARG   8  -8.230  -1.176  -6.356
   56   2HD   ARG   8          1HD       ARG   8  -7.510  -2.479  -7.289
   57    HE   ARG   8           HE       ARG   8  -8.746  -4.081  -5.965
   58   1HH1  ARG   8          2HH1      ARG   8  -8.999  -3.076  -3.347
   59   2HH1  ARG   8          1HH1      ARG   8 -10.575  -2.362  -3.270
   60   1HH2  ARG   8          1HH2      ARG   8 -10.884  -2.178  -6.754
   61   2HH2  ARG   8          2HH2      ARG   8 -11.669  -1.840  -5.247
   62    H    LYS   9           H        LYS   9  -3.117  -2.083  -8.114
   63    HA   LYS   9           HA       LYS   9  -1.771   0.502  -8.617
   64   1HB   LYS   9          2HB       LYS   9  -1.050  -2.153  -9.037
   65   2HB   LYS   9          1HB       LYS   9  -1.560  -1.696 -10.641
   66   1HG   LYS   9          2HG       LYS   9   0.392   0.001  -9.028
   67   2HG   LYS   9          1HG       LYS   9   0.921  -1.343 -10.022
   68   1HD   LYS   9          2HD       LYS   9  -0.310  -0.253 -11.985
   69   2HD   LYS   9          1HD       LYS   9  -0.538   1.154 -10.962
   70   1HE   LYS   9          2HE       LYS   9   1.649   1.819 -11.154
   71   2HE   LYS   9          1HE       LYS   9   2.278   0.184 -11.047
   72   1HZ   LYS   9          2HZ       LYS   9   1.096   0.085 -13.414
   73   2HZ   LYS   9          1HZ       LYS   9   1.519   1.726 -13.371
   74   3HZ   LYS   9          3HZ       LYS   9   2.718   0.539 -13.189
   75    H    CYS  10           H        CYS  10  -4.649   0.311  -8.711
   76    HA   CYS  10           HA       CYS  10  -5.636   0.226 -11.382
   77   1HB   CYS  10          2HB       CYS  10  -6.770   1.591  -8.946
   78   2HB   CYS  10          1HB       CYS  10  -7.657   1.234 -10.407
   79    H    LYS  11           H        LYS  11  -3.416   2.318 -10.609
   80    HA   LYS  11           HA       LYS  11  -4.628   4.851 -11.420
   81   1HB   LYS  11          2HB       LYS  11  -1.770   3.937 -10.928
   82   2HB   LYS  11          1HB       LYS  11  -2.157   5.575 -11.427
   83   1HG   LYS  11          2HG       LYS  11  -3.467   5.980  -9.435
   84   2HG   LYS  11          1HG       LYS  11  -3.429   4.287  -8.978
   85   1HD   LYS  11          2HD       LYS  11  -1.031   4.375  -8.570
   86   2HD   LYS  11          1HD       LYS  11  -0.929   6.009  -9.198
   87   1HE   LYS  11          2HE       LYS  11  -1.727   6.947  -7.255
   88   2HE   LYS  11          1HE       LYS  11  -2.898   5.667  -6.979
   89   1HZ   LYS  11          3HZ       LYS  11   0.010   5.325  -6.594
   90   2HZ   LYS  11          2HZ       LYS  11  -1.063   5.761  -5.352
   91   3HZ   LYS  11          1HZ       LYS  11  -1.234   4.262  -6.136
   92    H    ASP  12           H        ASP  12  -3.283   2.130 -12.985
   93    HA   ASP  12           HA       ASP  12  -2.471   3.463 -15.443
   94   1HB   ASP  12          2HB       ASP  12  -2.878   0.553 -14.659
   95   2HB   ASP  12          1HB       ASP  12  -2.355   1.052 -16.253
   96    H    ARG  13           H        ARG  13  -3.597   3.552 -17.365
   97    HA   ARG  13           HA       ARG  13  -6.431   3.724 -17.249
   98   1HB   ARG  13          2HB       ARG  13  -4.757   4.739 -18.997
   99   2HB   ARG  13          1HB       ARG  13  -4.937   3.212 -19.842
  100   1HG   ARG  13          2HG       ARG  13  -7.558   3.706 -19.477
  101   2HG   ARG  13          1HG       ARG  13  -7.010   5.355 -19.290
  102   1HD   ARG  13          2HD       ARG  13  -6.427   5.553 -21.538
  103   2HD   ARG  13          1HD       ARG  13  -5.976   3.860 -21.692
  104    HE   ARG  13           HE       ARG  13  -8.159   3.433 -22.401
  105   1HH1  ARG  13          1HH2      ARG  13 -10.105   3.550 -20.639
  106   2HH1  ARG  13          2HH2      ARG  13 -10.873   5.094 -20.735
  107   1HH2  ARG  13          2HH1      ARG  13  -8.233   6.589 -22.461
  108   2HH2  ARG  13          1HH1      ARG  13  -9.807   6.845 -21.784
  109    H    ARG  14           H        ARG  14  -4.342   1.040 -17.986
  110    HA   ARG  14           HA       ARG  14  -6.209  -0.647 -19.293
  111   1HB   ARG  14          2HB       ARG  14  -4.624  -2.456 -18.778
  112   2HB   ARG  14          1HB       ARG  14  -3.742  -1.016 -19.242
  113   1HG   ARG  14          2HG       ARG  14  -3.694  -0.534 -16.630
  114   2HG   ARG  14          1HG       ARG  14  -4.070  -2.235 -16.487
  115   1HD   ARG  14          2HD       ARG  14  -1.656  -2.037 -16.399
  116   2HD   ARG  14          1HD       ARG  14  -2.052  -2.726 -17.971
  117    HE   ARG  14           HE       ARG  14  -1.875   0.191 -17.999
  118   1HH1  ARG  14          1HH2      ARG  14  -1.142  -1.762 -20.192
  119   2HH1  ARG  14          2HH2      ARG  14   0.583  -1.608 -20.237
  120   1HH2  ARG  14          2HH1      ARG  14   0.683  -0.019 -17.115
  121   2HH2  ARG  14          1HH1      ARG  14   1.667  -0.590 -18.427
  122    H    CYS  15           H        CYS  15  -5.791   0.203 -15.989
  123    HA   CYS  15           HA       CYS  15  -7.413  -1.989 -14.917
  124   1HB   CYS  15          2HB       CYS  15  -6.437   0.409 -13.427
  125   2HB   CYS  15          1HB       CYS  15  -6.796  -1.184 -12.823
  126    H    LYS  16           H        LYS  16  -7.809   1.355 -15.725
  127    HA   LYS  16           HA       LYS  16  -9.957   2.194 -14.221
  128   1HB   LYS  16          2HB       LYS  16  -8.755   2.966 -16.715
  129   2HB   LYS  16          1HB       LYS  16 -10.479   2.972 -16.992
  130   1HG   LYS  16          2HG       LYS  16  -9.219   4.324 -14.575
  131   2HG   LYS  16          1HG       LYS  16  -9.408   5.138 -16.114
  132   1HD   LYS  16          2HD       LYS  16 -11.949   4.299 -15.893
  133   2HD   LYS  16          1HD       LYS  16 -11.544   4.198 -14.190
  134   1HE   LYS  16          2HE       LYS  16 -11.264   6.684 -15.938
  135   2HE   LYS  16          1HE       LYS  16 -12.497   6.419 -14.715
  136   1HZ   LYS  16          1HZ       LYS  16 -10.740   6.263 -13.052
  137   2HZ   LYS  16          3HZ       LYS  16  -9.580   6.597 -14.246
  138   3HZ   LYS  16          2HZ       LYS  16 -10.744   7.766 -13.842
  139    HA   HYP  17           HA       HYP  17 -13.257   0.049 -16.866
  140   1HB   HYP  17          1HB       HYP  17 -12.925  -0.232 -19.116
  141   2HB   HYP  17          2HB       HYP  17 -12.332  -1.844 -18.772
  142   1HD   HYP  17          1HD1      HYP  17  -9.573   1.065 -17.764
  143   2HD   HYP  17          2HD1      HYP  17  -9.369  -0.619 -17.267
  144    HOD  HYP  17           HD2      HYP  17 -11.313   1.504 -19.145
  145    HG   HYP  17           HG       HYP  17 -10.227  -1.104 -19.459
  146    H    MET  18           H        MET  18 -10.525  -1.793 -15.818
  147    HA   MET  18           HA       MET  18 -11.692  -4.363 -15.558
  148   1HB   MET  18          2HB       MET  18  -9.425  -2.995 -14.097
  149   2HB   MET  18          1HB       MET  18  -9.986  -4.558 -13.560
  150   1HG   MET  18          2HG       MET  18  -9.488  -4.209 -16.491
  151   2HG   MET  18          1HG       MET  18  -8.131  -4.289 -15.419
  152   1HE   MET  18          2HE       MET  18 -10.770  -5.840 -17.296
  153   2HE   MET  18          1HE       MET  18 -10.566  -7.566 -17.135
  154   3HE   MET  18          3HE       MET  18 -11.545  -6.691 -15.948
  155    H    LYS  19           H        LYS  19 -13.014  -5.267 -14.293
  156    HA   LYS  19           HA       LYS  19 -14.752  -3.874 -12.521
  157   1HB   LYS  19          2HB       LYS  19 -14.212  -6.859 -12.772
  158   2HB   LYS  19          1HB       LYS  19 -15.575  -6.165 -11.912
  159   1HG   LYS  19          2HG       LYS  19 -16.204  -4.974 -14.102
  160   2HG   LYS  19          1HG       LYS  19 -14.970  -5.947 -14.886
  161   1HD   LYS  19          2HD       LYS  19 -16.180  -8.011 -13.883
  162   2HD   LYS  19          1HD       LYS  19 -17.487  -6.914 -13.475
  163   1HE   LYS  19          2HE       LYS  19 -17.978  -7.953 -15.636
  164   2HE   LYS  19          1HE       LYS  19 -17.631  -6.253 -15.910
  165   1HZ   LYS  19          3HZ       LYS  19 -15.637  -8.427 -16.179
  166   2HZ   LYS  19          2HZ       LYS  19 -16.517  -7.762 -17.472
  167   3HZ   LYS  19          1HZ       LYS  19 -15.432  -6.793 -16.594
  168    H    CYS  20           H        CYS  20 -11.912  -5.841 -11.889
  169    HA   CYS  20           HA       CYS  20 -12.079  -6.166  -9.119
  170   1HB   CYS  20          2HB       CYS  20  -9.871  -6.816  -9.212
  171   2HB   CYS  20          1HB       CYS  20 -10.277  -6.948 -10.898
  172    H    CYS  21           H        CYS  21 -10.991  -3.407 -10.959
  173    HA   CYS  21           HA       CYS  21 -10.198  -1.863  -8.592
  174   1HB   CYS  21          2HB       CYS  21 -10.337  -1.270 -11.550
  175   2HB   CYS  21          1HB       CYS  21  -9.896  -0.056 -10.377
  176    H    ALA  22           H        ALA  22 -12.659  -1.590 -11.132
  177    HA   ALA  22           HA       ALA  22 -14.048   0.642 -10.144
  178   1HB   ALA  22          1HB       ALA  22 -14.391  -0.364 -12.389
  179   2HB   ALA  22          3HB       ALA  22 -15.186  -1.744 -11.646
  180   3HB   ALA  22          2HB       ALA  22 -15.918  -0.150 -11.548
   
  No H/Q in entry =         180
  Start of MODEL    7
    1   1H    ARG   1          3H        ARG   1  -2.172  -6.883 -14.308
    2   2H    ARG   1          2H        ARG   1  -0.996  -7.619 -15.284
    3   3H    ARG   1          1H        ARG   1  -1.856  -8.544 -14.148
    4    HA   ARG   1           HA       ARG   1  -0.694  -7.745 -12.371
    5   1HB   ARG   1          2HB       ARG   1   1.443  -7.252 -14.487
    6   2HB   ARG   1          1HB       ARG   1   1.632  -7.968 -12.897
    7   1HG   ARG   1          2HG       ARG   1  -0.051  -9.809 -13.938
    8   2HG   ARG   1          1HG       ARG   1   0.579  -9.186 -15.448
    9   1HD   ARG   1          2HD       ARG   1   2.347 -10.597 -15.182
   10   2HD   ARG   1          1HD       ARG   1   2.895  -9.590 -13.853
   11    HE   ARG   1           HE       ARG   1   1.942 -11.140 -12.307
   12   1HH1  ARG   1          1HH1      ARG   1  -0.605 -11.808 -13.496
   13   2HH1  ARG   1          2HH1      ARG   1  -0.386 -13.423 -14.087
   14   1HH2  ARG   1          1HH2      ARG   1   3.109 -13.210 -13.962
   15   2HH2  ARG   1          2HH2      ARG   1   1.770 -14.235 -14.358
   16    H    ASP   2           H        ASP   2  -0.087  -5.954 -11.203
   17    HA   ASP   2           HA       ASP   2   0.270  -3.760 -10.610
   18   1HB   ASP   2          2HB       ASP   2   2.002  -3.873 -12.544
   19   2HB   ASP   2          1HB       ASP   2   0.790  -3.167 -13.595
   20    H    CYS   3           H        CYS   3  -2.090  -4.444 -10.548
   21    HA   CYS   3           HA       CYS   3  -3.688  -2.133 -11.419
   22   1HB   CYS   3          2HB       CYS   3  -4.165  -4.960 -12.397
   23   2HB   CYS   3          1HB       CYS   3  -5.493  -3.836 -12.261
   24    H    CYS   4           H        CYS   4  -4.510  -5.401 -10.433
   25    HA   CYS   4           HA       CYS   4  -6.003  -4.375  -8.100
   26   1HB   CYS   4          2HB       CYS   4  -5.880  -7.243  -8.980
   27   2HB   CYS   4          1HB       CYS   4  -7.179  -6.387  -8.190
   28    H    THR   5           H        THR   5  -2.982  -5.320  -8.839
   29    HA   THR   5           HA       THR   5  -2.127  -7.155  -6.888
   30    HB   THR   5           HB       THR   5  -0.475  -4.843  -8.056
   31    HG1  THR   5           HG1      THR   5  -1.331  -7.368  -9.014
   32   1HG2  THR   5          1HG2      THR   5   0.210  -7.714  -7.192
   33   2HG2  THR   5          3HG2      THR   5   1.343  -6.570  -7.899
   34   3HG2  THR   5          2HG2      THR   5   0.686  -6.274  -6.300
   35    HA   HYP   6           HA       HYP   6  -3.099  -4.359  -3.487
   36   1HB   HYP   6          1HB       HYP   6  -3.756  -5.800  -1.885
   37   2HB   HYP   6          2HB       HYP   6  -2.092  -6.231  -1.527
   38   1HD   HYP   6          1HD1      HYP   6  -3.277  -7.657  -5.206
   39   2HD   HYP   6          2HD1      HYP   6  -1.604  -7.878  -4.674
   40    HOD  HYP   6           HD2      HYP   6  -4.555  -8.568  -3.479
   41    HG   HYP   6           HG       HYP   6  -2.533  -8.321  -2.530
   42    HA   HYP   7           HA       HYP   7  -2.907  -2.719  -2.136
   43   1HB   HYP   7          1HB       HYP   7  -2.196  -0.873  -1.034
   44   2HB   HYP   7          2HB       HYP   7  -1.666  -0.149  -2.542
   45   1HD   HYP   7          1HD1      HYP   7   0.822  -3.253  -1.461
   46   2HD   HYP   7          2HD1      HYP   7   0.991  -2.443  -3.022
   47    HOD  HYP   7           HD2      HYP   7  -0.717  -2.227   0.040
   48    HG   HYP   7           HG       HYP   7   0.563  -0.470  -1.792
   49    H    ARG   8           H        ARG   8  -4.371  -2.429  -3.665
   50    HA   ARG   8           HA       ARG   8  -4.131  -2.713  -6.356
   51   1HB   ARG   8          2HB       ARG   8  -6.094  -1.171  -4.660
   52   2HB   ARG   8          1HB       ARG   8  -6.240  -1.073  -6.396
   53   1HG   ARG   8          2HG       ARG   8  -5.957  -3.823  -5.978
   54   2HG   ARG   8          1HG       ARG   8  -6.875  -3.312  -4.578
   55   1HD   ARG   8          2HD       ARG   8  -8.406  -2.024  -6.255
   56   2HD   ARG   8          1HD       ARG   8  -7.623  -2.978  -7.508
   57    HE   ARG   8           HE       ARG   8  -8.771  -4.889  -6.724
   58   1HH1  ARG   8          1HH2      ARG   8  -8.382  -5.340  -4.069
   59   2HH1  ARG   8          2HH2      ARG   8  -9.783  -4.760  -3.229
   60   1HH2  ARG   8          2HH1      ARG   8 -10.816  -2.762  -5.915
   61   2HH2  ARG   8          1HH1      ARG   8 -11.194  -3.262  -4.299
   62    H    LYS   9           H        LYS   9  -3.246  -1.694  -7.966
   63    HA   LYS   9           HA       LYS   9  -2.103   0.976  -7.638
   64   1HB   LYS   9          2HB       LYS   9  -1.095  -1.045  -8.965
   65   2HB   LYS   9          1HB       LYS   9  -2.233  -0.639 -10.224
   66   1HG   LYS   9          2HG       LYS   9  -0.300   0.587 -10.855
   67   2HG   LYS   9          1HG       LYS   9  -1.299   1.786 -10.075
   68   1HD   LYS   9          2HD       LYS   9   0.999   1.991  -9.254
   69   2HD   LYS   9          1HD       LYS   9  -0.025   1.466  -7.941
   70   1HE   LYS   9          2HE       LYS   9   1.079  -0.832  -9.424
   71   2HE   LYS   9          1HE       LYS   9   2.339   0.215  -8.797
   72   1HZ   LYS   9          2HZ       LYS   9   0.097  -0.657  -7.069
   73   2HZ   LYS   9          1HZ       LYS   9   1.451  -1.634  -7.339
   74   3HZ   LYS   9          3HZ       LYS   9   1.638  -0.101  -6.637
   75    H    CYS  10           H        CYS  10  -4.206  -0.454 -10.072
   76    HA   CYS  10           HA       CYS  10  -5.889   0.390 -11.396
   77   1HB   CYS  10          2HB       CYS  10  -6.472   1.920  -8.851
   78   2HB   CYS  10          1HB       CYS  10  -7.587   1.730 -10.174
   79    H    LYS  11           H        LYS  11  -3.332   2.175 -11.018
   80    HA   LYS  11           HA       LYS  11  -4.304   4.834 -11.759
   81   1HB   LYS  11          2HB       LYS  11  -1.556   3.558 -11.543
   82   2HB   LYS  11          1HB       LYS  11  -1.745   5.179 -12.176
   83   1HG   LYS  11          2HG       LYS  11  -3.034   4.471  -9.527
   84   2HG   LYS  11          1HG       LYS  11  -1.317   4.806  -9.583
   85   1HD   LYS  11          2HD       LYS  11  -1.662   7.024 -10.458
   86   2HD   LYS  11          1HD       LYS  11  -3.357   6.715 -10.794
   87   1HE   LYS  11          2HE       LYS  11  -3.723   6.403  -8.298
   88   2HE   LYS  11          1HE       LYS  11  -2.058   6.914  -8.047
   89   1HZ   LYS  11          3HZ       LYS  11  -3.720   8.626  -9.707
   90   2HZ   LYS  11          2HZ       LYS  11  -4.080   8.580  -8.049
   91   3HZ   LYS  11          1HZ       LYS  11  -2.527   9.030  -8.568
   92    H    ASP  12           H        ASP  12  -3.074   2.010 -13.339
   93    HA   ASP  12           HA       ASP  12  -2.591   3.138 -15.928
   94   1HB   ASP  12          2HB       ASP  12  -3.332   0.240 -15.461
   95   2HB   ASP  12          1HB       ASP  12  -2.231   0.902 -16.632
   96    H    ARG  13           H        ARG  13  -3.805   3.241 -17.714
   97    HA   ARG  13           HA       ARG  13  -6.644   3.558 -17.478
   98   1HB   ARG  13          2HB       ARG  13  -6.595   3.897 -19.919
   99   2HB   ARG  13          1HB       ARG  13  -5.242   4.729 -19.183
  100   1HG   ARG  13          2HG       ARG  13  -3.734   2.830 -19.800
  101   2HG   ARG  13          1HG       ARG  13  -5.090   1.988 -20.528
  102   1HD   ARG  13          2HD       ARG  13  -4.514   3.023 -22.467
  103   2HD   ARG  13          1HD       ARG  13  -5.207   4.489 -21.785
  104    HE   ARG  13           HE       ARG  13  -2.604   4.395 -20.782
  105   1HH1  ARG  13          2HH1      ARG  13  -1.787   3.075 -23.243
  106   2HH1  ARG  13          1HH1      ARG  13  -1.522   4.385 -24.346
  107   1HH2  ARG  13          1HH2      ARG  13  -3.334   6.658 -22.389
  108   2HH2  ARG  13          2HH2      ARG  13  -2.422   6.468 -23.849
  109    H    ARG  14           H        ARG  14  -4.697   0.838 -17.866
  110    HA   ARG  14           HA       ARG  14  -6.599  -0.874 -19.218
  111   1HB   ARG  14          2HB       ARG  14  -3.992  -1.465 -17.765
  112   2HB   ARG  14          1HB       ARG  14  -4.913  -2.670 -18.646
  113   1HG   ARG  14          2HG       ARG  14  -4.696  -1.194 -20.709
  114   2HG   ARG  14          1HG       ARG  14  -3.585  -0.186 -19.794
  115   1HD   ARG  14          2HD       ARG  14  -3.191  -3.184 -20.232
  116   2HD   ARG  14          1HD       ARG  14  -2.410  -1.921 -21.183
  117    HE   ARG  14           HE       ARG  14  -1.962  -1.495 -18.358
  118   1HH1  ARG  14          2HH1      ARG  14  -0.373  -1.888 -21.182
  119   2HH1  ARG  14          1HH1      ARG  14   0.920  -2.868 -20.581
  120   1HH2  ARG  14          1HH2      ARG  14  -0.627  -3.410 -17.490
  121   2HH2  ARG  14          2HH2      ARG  14   0.767  -3.745 -18.454
  122    H    CYS  15           H        CYS  15  -5.561  -0.203 -15.966
  123    HA   CYS  15           HA       CYS  15  -6.938  -2.411 -14.708
  124   1HB   CYS  15          2HB       CYS  15  -5.976   0.125 -13.445
  125   2HB   CYS  15          1HB       CYS  15  -6.215  -1.427 -12.678
  126    H    LYS  16           H        LYS  16  -7.676   1.040 -14.909
  127    HA   LYS  16           HA       LYS  16  -9.902   1.171 -13.232
  128   1HB   LYS  16          2HB       LYS  16  -8.968   3.141 -14.166
  129   2HB   LYS  16          1HB       LYS  16  -9.285   2.665 -15.804
  130   1HG   LYS  16          2HG       LYS  16 -11.875   2.648 -14.657
  131   2HG   LYS  16          1HG       LYS  16 -11.075   3.920 -13.770
  132   1HD   LYS  16          2HD       LYS  16 -12.172   4.902 -15.681
  133   2HD   LYS  16          1HD       LYS  16 -10.451   4.966 -15.999
  134   1HE   LYS  16          2HE       LYS  16 -11.881   2.490 -16.972
  135   2HE   LYS  16          1HE       LYS  16 -12.293   3.990 -17.779
  136   1HZ   LYS  16          1HZ       LYS  16  -9.464   3.515 -17.358
  137   2HZ   LYS  16          3HZ       LYS  16 -10.249   2.500 -18.463
  138   3HZ   LYS  16          2HZ       LYS  16 -10.281   4.182 -18.687
  139    HA   HYP  17           HA       HYP  17 -12.946  -0.053 -16.774
  140   1HB   HYP  17          1HB       HYP  17 -12.323  -0.266 -18.974
  141   2HB   HYP  17          2HB       HYP  17 -11.761  -1.890 -18.635
  142   1HD   HYP  17          1HD1      HYP  17  -9.486   1.207 -17.154
  143   2HD   HYP  17          2HD1      HYP  17  -8.932  -0.400 -16.740
  144    HOD  HYP  17           HD2      HYP  17 -10.966   1.310 -19.077
  145    HG   HYP  17           HG       HYP  17  -9.595  -1.156 -18.875
  146    H    MET  18           H        MET  18 -10.362  -2.200 -15.881
  147    HA   MET  18           HA       MET  18 -11.885  -4.635 -15.683
  148   1HB   MET  18          2HB       MET  18  -9.332  -3.761 -14.215
  149   2HB   MET  18          1HB       MET  18 -10.039  -5.346 -14.029
  150   1HG   MET  18          2HG       MET  18 -10.012  -5.387 -16.650
  151   2HG   MET  18          1HG       MET  18  -8.827  -4.133 -16.477
  152   1HE   MET  18          1HE       MET  18  -6.485  -4.423 -16.182
  153   2HE   MET  18          3HE       MET  18  -6.702  -4.759 -14.446
  154   3HE   MET  18          2HE       MET  18  -5.684  -5.793 -15.440
  155    H    LYS  19           H        LYS  19 -13.146  -5.413 -14.191
  156    HA   LYS  19           HA       LYS  19 -14.723  -3.942 -12.503
  157   1HB   LYS  19          2HB       LYS  19 -14.936  -6.386 -13.239
  158   2HB   LYS  19          1HB       LYS  19 -13.924  -6.794 -11.868
  159   1HG   LYS  19          2HG       LYS  19 -15.708  -5.370 -10.494
  160   2HG   LYS  19          1HG       LYS  19 -16.726  -5.613 -11.898
  161   1HD   LYS  19          2HD       LYS  19 -15.357  -7.897 -10.409
  162   2HD   LYS  19          1HD       LYS  19 -16.969  -7.337 -10.018
  163   1HE   LYS  19          2HE       LYS  19 -17.429  -9.094 -11.513
  164   2HE   LYS  19          1HE       LYS  19 -17.464  -7.708 -12.590
  165   1HZ   LYS  19          2HZ       LYS  19 -14.833  -8.762 -12.272
  166   2HZ   LYS  19          1HZ       LYS  19 -15.925  -9.926 -12.851
  167   3HZ   LYS  19          3HZ       LYS  19 -15.719  -8.461 -13.686
  168    H    CYS  20           H        CYS  20 -11.692  -5.460 -11.468
  169    HA   CYS  20           HA       CYS  20 -11.963  -5.052  -8.706
  170   1HB   CYS  20          2HB       CYS  20  -9.782  -5.724  -8.533
  171   2HB   CYS  20          1HB       CYS  20 -10.177  -6.335 -10.111
  172    H    CYS  21           H        CYS  21 -11.550  -2.596 -11.028
  173    HA   CYS  21           HA       CYS  21 -10.782  -0.647  -8.893
  174   1HB   CYS  21          2HB       CYS  21 -10.012  -0.587 -11.812
  175   2HB   CYS  21          1HB       CYS  21  -9.613   0.633 -10.631
  176    H    ALA  22           H        ALA  22 -12.380  -1.120 -11.998
  177    HA   ALA  22           HA       ALA  22 -14.129  -0.020 -13.063
  178   1HB   ALA  22          2HB       ALA  22 -15.243  -1.127 -11.092
  179   2HB   ALA  22          1HB       ALA  22 -15.089   0.368 -10.187
  180   3HB   ALA  22          3HB       ALA  22 -16.090   0.315 -11.629
   
  No H/Q in entry =         180
  Start of MODEL    8
    1   1H    ARG   1          1H        ARG   1   1.735  -8.306 -10.441
    2   2H    ARG   1          3H        ARG   1   2.489  -7.634  -9.071
    3   3H    ARG   1          2H        ARG   1   0.909  -7.168  -9.486
    4    HA   ARG   1           HA       ARG   1   2.321  -5.425 -10.120
    5   1HB   ARG   1          2HB       ARG   1   3.966  -7.755 -11.089
    6   2HB   ARG   1          1HB       ARG   1   4.049  -6.344 -12.114
    7   1HG   ARG   1          2HG       ARG   1   4.511  -6.235  -9.102
    8   2HG   ARG   1          1HG       ARG   1   5.803  -6.469 -10.260
    9   1HD   ARG   1          2HD       ARG   1   3.963  -4.032 -10.121
   10   2HD   ARG   1          1HD       ARG   1   5.667  -4.081  -9.703
   11    HE   ARG   1           HE       ARG   1   4.543  -4.140 -12.436
   12   1HH1  ARG   1          1HH1      ARG   1   6.670  -6.086 -12.563
   13   2HH1  ARG   1          2HH1      ARG   1   8.097  -5.135 -12.809
   14   1HH2  ARG   1          1HH2      ARG   1   6.571  -2.168 -11.764
   15   2HH2  ARG   1          2HH2      ARG   1   8.041  -2.874 -12.348
   16    H    ASP   2           H        ASP   2  -0.098  -6.294 -10.693
   17    HA   ASP   2           HA       ASP   2  -0.432  -6.099 -13.659
   18   1HB   ASP   2          2HB       ASP   2  -2.662  -6.960 -11.798
   19   2HB   ASP   2          1HB       ASP   2  -2.388  -7.397 -13.472
   20    H    CYS   3           H        CYS   3  -1.693  -5.108 -10.571
   21    HA   CYS   3           HA       CYS   3  -1.888  -2.460 -10.510
   22   1HB   CYS   3          2HB       CYS   3  -4.017  -3.415 -12.447
   23   2HB   CYS   3          1HB       CYS   3  -4.397  -2.103 -11.374
   24    H    CYS   4           H        CYS   4  -4.229  -5.114 -10.553
   25    HA   CYS   4           HA       CYS   4  -5.576  -4.156  -8.150
   26   1HB   CYS   4          2HB       CYS   4  -5.758  -6.790  -9.631
   27   2HB   CYS   4          1HB       CYS   4  -6.828  -6.282  -8.356
   28    H    THR   5           H        THR   5  -2.669  -5.541  -8.577
   29    HA   THR   5           HA       THR   5  -2.542  -7.614  -6.611
   30    HB   THR   5           HB       THR   5  -0.006  -6.042  -6.972
   31    HG1  THR   5           HG1      THR   5  -0.911  -7.294  -9.287
   32   1HG2  THR   5          1HG2      THR   5  -0.288  -8.572  -6.327
   33   2HG2  THR   5          3HG2      THR   5  -0.703  -8.831  -8.017
   34   3HG2  THR   5          2HG2      THR   5   0.879  -8.199  -7.583
   35    HA   HYP   6           HA       HYP   6  -3.511  -4.638  -3.428
   36   1HB   HYP   6          1HB       HYP   6  -4.400  -5.873  -1.746
   37   2HB   HYP   6          2HB       HYP   6  -2.846  -6.568  -1.326
   38   1HD   HYP   6          1HD1      HYP   6  -3.901  -7.877  -5.055
   39   2HD   HYP   6          2HD1      HYP   6  -2.375  -8.364  -4.303
   40    HOD  HYP   6           HD2      HYP   6  -5.752  -7.798  -2.371
   41    HG   HYP   6           HG       HYP   6  -3.674  -8.563  -2.304
   42    HA   HYP   7           HA       HYP   7  -3.421  -3.010  -2.039
   43   1HB   HYP   7          1HB       HYP   7  -2.739  -1.222  -0.824
   44   2HB   HYP   7          2HB       HYP   7  -2.058  -0.495  -2.270
   45   1HD   HYP   7          1HD1      HYP   7   0.166  -3.699  -0.913
   46   2HD   HYP   7          2HD1      HYP   7   0.573  -2.951  -2.461
   47    HOD  HYP   7           HD2      HYP   7   0.093  -1.648   0.652
   48    HG   HYP   7           HG       HYP   7   0.097  -0.913  -1.373
   49    H    ARG   8           H        ARG   8  -4.704  -2.212  -3.645
   50    HA   ARG   8           HA       ARG   8  -4.088  -2.615  -6.334
   51   1HB   ARG   8          2HB       ARG   8  -6.177  -0.815  -5.060
   52   2HB   ARG   8          1HB       ARG   8  -6.152  -1.223  -6.764
   53   1HG   ARG   8          2HG       ARG   8  -6.138  -3.712  -5.995
   54   2HG   ARG   8          1HG       ARG   8  -6.561  -3.091  -4.409
   55   1HD   ARG   8          2HD       ARG   8  -8.572  -1.985  -5.362
   56   2HD   ARG   8          1HD       ARG   8  -8.141  -2.572  -6.966
   57    HE   ARG   8           HE       ARG   8  -8.499  -4.874  -6.147
   58   1HH1  ARG   8          2HH1      ARG   8  -8.476  -5.282  -3.516
   59   2HH1  ARG   8          1HH1      ARG   8 -10.045  -4.915  -2.881
   60   1HH2  ARG   8          1HH2      ARG   8 -10.977  -3.070  -5.715
   61   2HH2  ARG   8          2HH2      ARG   8 -11.504  -3.632  -4.163
   62    H    LYS   9           H        LYS   9  -4.157  -1.054  -8.094
   63    HA   LYS   9           HA       LYS   9  -2.683   1.480  -7.519
   64   1HB   LYS   9          2HB       LYS   9  -1.277  -0.404  -8.510
   65   2HB   LYS   9          1HB       LYS   9  -2.310  -0.354  -9.920
   66   1HG   LYS   9          2HG       LYS   9  -1.652   2.292  -9.770
   67   2HG   LYS   9          1HG       LYS   9  -0.242   1.607  -8.987
   68   1HD   LYS   9          2HD       LYS   9  -0.260  -0.048 -11.084
   69   2HD   LYS   9          1HD       LYS   9  -1.243   1.206 -11.818
   70   1HE   LYS   9          2HE       LYS   9   0.539   2.869 -11.434
   71   2HE   LYS   9          1HE       LYS   9   1.495   1.682 -10.561
   72   1HZ   LYS   9          1HZ       LYS   9   0.672   1.348 -13.379
   73   2HZ   LYS   9          3HZ       LYS   9   2.147   2.026 -12.896
   74   3HZ   LYS   9          2HZ       LYS   9   1.785   0.414 -12.505
   75    H    CYS  10           H        CYS  10  -4.336  -0.181 -10.156
   76    HA   CYS  10           HA       CYS  10  -5.814   0.541 -11.789
   77   1HB   CYS  10          2HB       CYS  10  -6.871   2.241  -9.524
   78   2HB   CYS  10          1HB       CYS  10  -7.775   1.701 -10.912
   79    H    LYS  11           H        LYS  11  -3.358   2.163 -11.437
   80    HA   LYS  11           HA       LYS  11  -4.102   4.919 -12.066
   81   1HB   LYS  11          2HB       LYS  11  -1.974   4.156 -10.854
   82   2HB   LYS  11          1HB       LYS  11  -1.373   3.623 -12.414
   83   1HG   LYS  11          2HG       LYS  11  -1.571   5.913 -13.313
   84   2HG   LYS  11          1HG       LYS  11  -2.297   6.474 -11.820
   85   1HD   LYS  11          2HD       LYS  11   0.453   5.169 -11.828
   86   2HD   LYS  11          1HD       LYS  11   0.265   6.872 -12.189
   87   1HE   LYS  11          2HE       LYS  11  -0.818   7.271 -10.011
   88   2HE   LYS  11          1HE       LYS  11  -0.754   5.557  -9.631
   89   1HZ   LYS  11          2HZ       LYS  11   1.771   5.934 -10.141
   90   2HZ   LYS  11          1HZ       LYS  11   1.389   7.526  -9.692
   91   3HZ   LYS  11          3HZ       LYS  11   1.108   6.247  -8.609
   92    H    ASP  12           H        ASP  12  -2.960   2.103 -13.824
   93    HA   ASP  12           HA       ASP  12  -2.595   3.368 -16.362
   94   1HB   ASP  12          2HB       ASP  12  -2.978   0.524 -15.423
   95   2HB   ASP  12          1HB       ASP  12  -2.936   0.864 -17.143
   96    H    ARG  13           H        ARG  13  -3.850   3.311 -18.203
   97    HA   ARG  13           HA       ARG  13  -6.624   3.908 -17.850
   98   1HB   ARG  13          2HB       ARG  13  -4.997   4.626 -19.756
   99   2HB   ARG  13          1HB       ARG  13  -5.346   3.067 -20.475
  100   1HG   ARG  13          2HG       ARG  13  -7.870   3.743 -20.210
  101   2HG   ARG  13          1HG       ARG  13  -7.261   5.366 -19.937
  102   1HD   ARG  13          2HD       ARG  13  -7.666   5.253 -22.296
  103   2HD   ARG  13          1HD       ARG  13  -5.924   5.054 -22.147
  104    HE   ARG  13           HE       ARG  13  -6.302   2.581 -22.367
  105   1HH1  ARG  13          1HH2      ARG  13  -9.095   2.139 -22.056
  106   2HH1  ARG  13          2HH2      ARG  13  -9.738   2.221 -23.660
  107   1HH2  ARG  13          2HH1      ARG  13  -6.936   3.867 -24.951
  108   2HH2  ARG  13          1HH1      ARG  13  -8.497   3.220 -25.335
  109    H    ARG  14           H        ARG  14  -4.944   1.089 -19.176
  110    HA   ARG  14           HA       ARG  14  -7.268  -0.444 -19.739
  111   1HB   ARG  14          2HB       ARG  14  -4.335  -0.848 -19.691
  112   2HB   ARG  14          1HB       ARG  14  -5.200  -2.297 -19.240
  113   1HG   ARG  14          2HG       ARG  14  -4.918  -2.341 -21.640
  114   2HG   ARG  14          1HG       ARG  14  -6.616  -2.072 -21.313
  115   1HD   ARG  14          2HD       ARG  14  -5.964  -0.525 -23.070
  116   2HD   ARG  14          1HD       ARG  14  -6.165   0.452 -21.621
  117    HE   ARG  14           HE       ARG  14  -3.451  -0.395 -21.733
  118   1HH1  ARG  14          2HH1      ARG  14  -4.046   0.216 -24.629
  119   2HH1  ARG  14          1HH1      ARG  14  -3.621   1.893 -24.732
  120   1HH2  ARG  14          1HH2      ARG  14  -3.644   2.307 -21.249
  121   2HH2  ARG  14          2HH2      ARG  14  -3.389   3.110 -22.764
  122    H    CYS  15           H        CYS  15  -5.777   0.319 -16.793
  123    HA   CYS  15           HA       CYS  15  -6.892  -1.984 -15.311
  124   1HB   CYS  15          2HB       CYS  15  -5.137   0.350 -14.531
  125   2HB   CYS  15          1HB       CYS  15  -5.724  -0.842 -13.411
  126    H    LYS  16           H        LYS  16  -8.136   0.857 -16.389
  127    HA   LYS  16           HA       LYS  16  -9.506   1.737 -13.982
  128   1HB   LYS  16          2HB       LYS  16  -8.959   2.873 -16.506
  129   2HB   LYS  16          1HB       LYS  16 -10.690   2.643 -16.546
  130   1HG   LYS  16          2HG       LYS  16 -10.547   4.736 -15.571
  131   2HG   LYS  16          1HG       LYS  16 -10.624   3.737 -14.135
  132   1HD   LYS  16          2HD       LYS  16  -8.239   3.874 -13.788
  133   2HD   LYS  16          1HD       LYS  16  -7.957   4.538 -15.387
  134   1HE   LYS  16          2HE       LYS  16  -9.562   5.958 -13.222
  135   2HE   LYS  16          1HE       LYS  16  -7.871   6.281 -13.577
  136   1HZ   LYS  16          1HZ       LYS  16  -8.917   6.501 -15.999
  137   2HZ   LYS  16          3HZ       LYS  16 -10.248   6.994 -15.068
  138   3HZ   LYS  16          2HZ       LYS  16  -8.764   7.805 -14.923
  139    HA   HYP  17           HA       HYP  17 -13.325  -0.250 -16.045
  140   1HB   HYP  17          1HB       HYP  17 -13.415  -0.601 -18.313
  141   2HB   HYP  17          2HB       HYP  17 -12.734  -2.195 -18.051
  142   1HD   HYP  17          1HD1      HYP  17  -9.967   0.849 -17.618
  143   2HD   HYP  17          2HD1      HYP  17  -9.540  -0.810 -17.188
  144    HOD  HYP  17           HD2      HYP  17 -10.945   0.511 -20.014
  145    HG   HYP  17           HG       HYP  17 -10.804  -1.442 -19.111
  146    H    MET  18           H        MET  18 -10.466  -1.962 -15.451
  147    HA   MET  18           HA       MET  18 -11.118  -4.605 -15.011
  148   1HB   MET  18          2HB       MET  18  -9.301  -2.701 -13.508
  149   2HB   MET  18          1HB       MET  18  -9.459  -4.357 -12.956
  150   1HG   MET  18          2HG       MET  18  -8.922  -5.094 -15.322
  151   2HG   MET  18          1HG       MET  18  -8.566  -3.432 -15.688
  152   1HE   MET  18          3HE       MET  18  -7.726  -6.268 -13.124
  153   2HE   MET  18          2HE       MET  18  -7.200  -6.769 -14.749
  154   3HE   MET  18          1HE       MET  18  -6.022  -6.471 -13.483
  155    H    LYS  19           H        LYS  19 -12.206  -5.793 -13.609
  156    HA   LYS  19           HA       LYS  19 -14.417  -4.883 -12.200
  157   1HB   LYS  19          2HB       LYS  19 -14.372  -7.118 -11.050
  158   2HB   LYS  19          1HB       LYS  19 -14.174  -7.205 -12.782
  159   1HG   LYS  19          2HG       LYS  19 -12.366  -8.509 -12.376
  160   2HG   LYS  19          1HG       LYS  19 -11.519  -7.037 -11.991
  161   1HD   LYS  19          2HD       LYS  19 -11.112  -8.047  -9.981
  162   2HD   LYS  19          1HD       LYS  19 -12.722  -7.514  -9.560
  163   1HE   LYS  19          2HE       LYS  19 -12.074 -10.230 -10.791
  164   2HE   LYS  19          1HE       LYS  19 -12.403  -9.943  -9.089
  165   1HZ   LYS  19          1HZ       LYS  19 -14.289  -9.299 -11.276
  166   2HZ   LYS  19          3HZ       LYS  19 -14.335 -10.724 -10.354
  167   3HZ   LYS  19          2HZ       LYS  19 -14.590  -9.220  -9.607
  168    H    CYS  20           H        CYS  20 -11.211  -5.542 -10.787
  169    HA   CYS  20           HA       CYS  20 -11.932  -4.977  -8.105
  170   1HB   CYS  20          2HB       CYS  20  -9.700  -5.239  -7.633
  171   2HB   CYS  20          1HB       CYS  20  -9.756  -6.015  -9.183
  172    H    CYS  21           H        CYS  21 -10.951  -2.998 -10.760
  173    HA   CYS  21           HA       CYS  21 -11.033  -0.489  -9.147
  174   1HB   CYS  21          2HB       CYS  21 -10.220  -0.823 -12.034
  175   2HB   CYS  21          1HB       CYS  21  -9.882   0.530 -10.990
  176    H    ALA  22           H        ALA  22 -13.286  -2.189 -10.040
  177    HA   ALA  22           HA       ALA  22 -15.502  -1.871 -10.609
  178   1HB   ALA  22          3HB       ALA  22 -14.913   0.625  -9.847
  179   2HB   ALA  22          2HB       ALA  22 -14.996   0.984 -11.563
  180   3HB   ALA  22          1HB       ALA  22 -16.391   0.319 -10.738
   
  No H/Q in entry =         180
  Start of MODEL    9
    1   1H    ARG   1          3H        ARG   1  -1.910  -9.400 -12.271
    2   2H    ARG   1          2H        ARG   1  -0.880 -10.575 -11.607
    3   3H    ARG   1          1H        ARG   1  -2.562 -10.806 -11.575
    4    HA   ARG   1           HA       ARG   1  -2.877  -9.047 -10.053
    5   1HB   ARG   1          2HB       ARG   1  -1.062 -11.309  -9.490
    6   2HB   ARG   1          1HB       ARG   1  -0.729  -9.970  -8.413
    7   1HG   ARG   1          2HG       ARG   1  -3.118  -9.880  -7.748
    8   2HG   ARG   1          1HG       ARG   1  -3.483 -11.198  -8.849
    9   1HD   ARG   1          2HD       ARG   1  -3.195 -12.054  -6.533
   10   2HD   ARG   1          1HD       ARG   1  -1.924 -12.688  -7.575
   11    HE   ARG   1           HE       ARG   1  -1.310 -10.192  -6.114
   12   1HH1  ARG   1          1HH2      ARG   1   0.973 -11.540  -7.036
   13   2HH1  ARG   1          2HH2      ARG   1   1.467 -12.570  -5.733
   14   1HH2  ARG   1          1HH1      ARG   1  -1.652 -12.379  -4.143
   15   2HH2  ARG   1          2HH1      ARG   1  -0.061 -13.059  -4.049
   16    H    ASP   2           H        ASP   2  -2.441  -7.009 -10.505
   17    HA   ASP   2           HA       ASP   2   0.010  -5.775  -9.588
   18   1HB   ASP   2          2HB       ASP   2  -0.313  -6.387 -12.485
   19   2HB   ASP   2          1HB       ASP   2   0.042  -4.699 -12.173
   20    H    CYS   3           H        CYS   3  -2.453  -5.145 -12.014
   21    HA   CYS   3           HA       CYS   3  -2.982  -2.456 -11.479
   22   1HB   CYS   3          2HB       CYS   3  -4.526  -4.710 -12.663
   23   2HB   CYS   3          1HB       CYS   3  -5.426  -3.275 -12.275
   24    H    CYS   4           H        CYS   4  -4.315  -5.284  -9.959
   25    HA   CYS   4           HA       CYS   4  -5.627  -3.544  -7.921
   26   1HB   CYS   4          2HB       CYS   4  -6.588  -5.921  -9.426
   27   2HB   CYS   4          1HB       CYS   4  -7.125  -5.771  -7.786
   28    H    THR   5           H        THR   5  -3.091  -5.597  -8.269
   29    HA   THR   5           HA       THR   5  -3.495  -7.246  -5.940
   30    HB   THR   5           HB       THR   5  -1.772  -7.647  -7.866
   31    HG1  THR   5           HG1      THR   5  -0.799  -8.892  -6.417
   32   1HG2  THR   5          3HG2      THR   5  -0.515  -5.358  -7.454
   33   2HG2  THR   5          2HG2      THR   5   0.059  -6.089  -5.965
   34   3HG2  THR   5          1HG2      THR   5   0.483  -6.804  -7.510
   35    HA   HYP   6           HA       HYP   6  -3.155  -3.843  -3.107
   36   1HB   HYP   6          1HB       HYP   6  -3.729  -4.699  -1.079
   37   2HB   HYP   6          2HB       HYP   6  -2.276  -5.683  -0.979
   38   1HD   HYP   6          1HD1      HYP   6  -4.374  -7.126  -4.140
   39   2HD   HYP   6          2HD1      HYP   6  -2.804  -7.767  -3.618
   40    HOD  HYP   6           HD2      HYP   6  -5.471  -5.813  -1.325
   41    HG   HYP   6           HG       HYP   6  -3.782  -7.491  -1.426
   42    HA   HYP   7           HA       HYP   7  -2.475  -2.078  -2.243
   43   1HB   HYP   7          1HB       HYP   7  -1.235  -0.335  -1.534
   44   2HB   HYP   7          2HB       HYP   7  -0.897   0.083  -3.205
   45   1HD   HYP   7          1HD1      HYP   7   1.209  -3.255  -1.925
   46   2HD   HYP   7          2HD1      HYP   7   1.203  -2.810  -3.635
   47    HOD  HYP   7           HD2      HYP   7   1.790  -1.417  -0.757
   48    HG   HYP   7           HG       HYP   7   1.363  -0.593  -2.828
   49    H    ARG   8           H        ARG   8  -4.028  -1.757  -3.671
   50    HA   ARG   8           HA       ARG   8  -4.082  -2.510  -6.327
   51   1HB   ARG   8          2HB       ARG   8  -5.708  -0.503  -4.753
   52   2HB   ARG   8          1HB       ARG   8  -6.083  -0.821  -6.428
   53   1HG   ARG   8          2HG       ARG   8  -5.756  -3.368  -5.079
   54   2HG   ARG   8          1HG       ARG   8  -6.765  -2.364  -4.068
   55   1HD   ARG   8          2HD       ARG   8  -8.392  -2.037  -5.789
   56   2HD   ARG   8          1HD       ARG   8  -7.306  -2.628  -7.037
   57    HE   ARG   8           HE       ARG   8  -7.767  -4.854  -6.365
   58   1HH1  ARG   8          1HH2      ARG   8  -7.614  -5.154  -3.579
   59   2HH1  ARG   8          2HH2      ARG   8  -9.249  -5.125  -3.027
   60   1HH2  ARG   8          2HH1      ARG   8 -10.496  -3.683  -5.947
   61   2HH2  ARG   8          1HH1      ARG   8 -10.911  -4.289  -4.377
   62    H    LYS   9           H        LYS   9  -3.014  -1.849  -8.013
   63    HA   LYS   9           HA       LYS   9  -2.094   0.974  -8.259
   64   1HB   LYS   9          2HB       LYS   9  -0.885  -1.589  -8.738
   65   2HB   LYS   9          1HB       LYS   9  -1.048  -0.858 -10.310
   66   1HG   LYS   9          2HG       LYS   9   0.974   0.039  -9.723
   67   2HG   LYS   9          1HG       LYS   9  -0.043   1.295  -9.059
   68   1HD   LYS   9          2HD       LYS   9   0.688  -1.097  -7.322
   69   2HD   LYS   9          1HD       LYS   9   1.880   0.155  -7.592
   70   1HE   LYS   9          2HE       LYS   9   0.361   1.864  -6.683
   71   2HE   LYS   9          1HE       LYS   9  -0.911   0.664  -6.487
   72   1HZ   LYS   9          1HZ       LYS   9   1.732   0.484  -5.185
   73   2HZ   LYS   9          3HZ       LYS   9   0.342   1.123  -4.444
   74   3HZ   LYS   9          2HZ       LYS   9   0.374  -0.507  -4.922
   75    H    CYS  10           H        CYS  10  -4.664   0.803  -8.589
   76    HA   CYS  10           HA       CYS  10  -5.530   0.324 -11.302
   77   1HB   CYS  10          2HB       CYS  10  -6.824   1.711  -8.960
   78   2HB   CYS  10          1HB       CYS  10  -7.650   1.336 -10.454
   79    H    LYS  11           H        LYS  11  -3.396   2.390 -10.849
   80    HA   LYS  11           HA       LYS  11  -4.574   4.941 -11.628
   81   1HB   LYS  11          2HB       LYS  11  -2.097   5.585 -11.879
   82   2HB   LYS  11          1HB       LYS  11  -2.617   5.084 -10.284
   83   1HG   LYS  11          2HG       LYS  11  -1.542   2.969 -10.430
   84   2HG   LYS  11          1HG       LYS  11  -1.462   3.019 -12.178
   85   1HD   LYS  11          2HD       LYS  11   0.765   3.418 -11.353
   86   2HD   LYS  11          1HD       LYS  11   0.179   4.935 -12.009
   87   1HE   LYS  11          2HE       LYS  11  -0.380   5.723  -9.718
   88   2HE   LYS  11          1HE       LYS  11   0.130   4.178  -9.049
   89   1HZ   LYS  11          3HZ       LYS  11   2.327   4.688 -10.221
   90   2HZ   LYS  11          2HZ       LYS  11   1.760   6.289 -10.283
   91   3HZ   LYS  11          1HZ       LYS  11   1.960   5.516  -8.783
   92    H    ASP  12           H        ASP  12  -3.355   2.179 -13.291
   93    HA   ASP  12           HA       ASP  12  -2.750   3.511 -15.794
   94   1HB   ASP  12          2HB       ASP  12  -3.330   0.565 -15.404
   95   2HB   ASP  12          1HB       ASP  12  -2.414   1.323 -16.676
   96    H    ARG  13           H        ARG  13  -3.911   3.568 -17.655
   97    HA   ARG  13           HA       ARG  13  -6.775   3.708 -17.439
   98   1HB   ARG  13          2HB       ARG  13  -5.126   4.910 -19.103
   99   2HB   ARG  13          1HB       ARG  13  -5.281   3.461 -20.073
  100   1HG   ARG  13          2HG       ARG  13  -7.919   3.907 -19.682
  101   2HG   ARG  13          1HG       ARG  13  -7.367   5.539 -19.374
  102   1HD   ARG  13          2HD       ARG  13  -7.887   5.399 -21.734
  103   2HD   ARG  13          1HD       ARG  13  -6.131   5.429 -21.613
  104    HE   ARG  13           HE       ARG  13  -6.246   2.891 -21.807
  105   1HH1  ARG  13          2HH1      ARG  13  -8.865   2.022 -21.830
  106   2HH1  ARG  13          1HH1      ARG  13  -9.411   2.171 -23.466
  107   1HH2  ARG  13          1HH2      ARG  13  -6.864   4.385 -24.364
  108   2HH2  ARG  13          2HH2      ARG  13  -8.264   3.537 -24.930
  109    H    ARG  14           H        ARG  14  -4.720   1.115 -17.719
  110    HA   ARG  14           HA       ARG  14  -6.490  -0.639 -19.237
  111   1HB   ARG  14          2HB       ARG  14  -3.723  -0.905 -18.005
  112   2HB   ARG  14          1HB       ARG  14  -4.595  -2.332 -18.525
  113   1HG   ARG  14          2HG       ARG  14  -3.494  -1.872 -20.508
  114   2HG   ARG  14          1HG       ARG  14  -4.936  -0.925 -20.787
  115   1HD   ARG  14          2HD       ARG  14  -3.233   0.623 -21.287
  116   2HD   ARG  14          1HD       ARG  14  -3.553   1.032 -19.610
  117    HE   ARG  14           HE       ARG  14  -1.329  -0.790 -20.464
  118   1HH1  ARG  14          1HH2      ARG  14  -1.114  -1.170 -17.843
  119   2HH1  ARG  14          2HH2      ARG  14  -0.397   0.242 -17.137
  120   1HH2  ARG  14          2HH1      ARG  14  -1.126   2.258 -19.897
  121   2HH2  ARG  14          1HH1      ARG  14  -0.408   2.220 -18.318
  122    H    CYS  15           H        CYS  15  -5.702   0.184 -15.994
  123    HA   CYS  15           HA       CYS  15  -6.967  -2.179 -14.778
  124   1HB   CYS  15          2HB       CYS  15  -6.118   0.367 -13.424
  125   2HB   CYS  15          1HB       CYS  15  -6.310  -1.212 -12.722
  126    H    LYS  16           H        LYS  16  -7.575   1.235 -15.209
  127    HA   LYS  16           HA       LYS  16  -9.782   1.790 -13.718
  128   1HB   LYS  16          2HB       LYS  16  -8.536   2.984 -15.910
  129   2HB   LYS  16          1HB       LYS  16 -10.151   2.710 -16.514
  130   1HG   LYS  16          2HG       LYS  16 -11.008   3.811 -14.334
  131   2HG   LYS  16          1HG       LYS  16  -9.346   4.275 -14.039
  132   1HD   LYS  16          2HD       LYS  16 -10.213   6.161 -15.168
  133   2HD   LYS  16          1HD       LYS  16  -9.392   5.293 -16.447
  134   1HE   LYS  16          2HE       LYS  16 -11.610   4.229 -17.072
  135   2HE   LYS  16          1HE       LYS  16 -12.382   5.230 -15.849
  136   1HZ   LYS  16          3HZ       LYS  16 -11.375   7.171 -17.032
  137   2HZ   LYS  16          2HZ       LYS  16 -10.965   6.105 -18.290
  138   3HZ   LYS  16          1HZ       LYS  16 -12.597   6.344 -17.878
  139    HA   HYP  17           HA       HYP  17 -12.950  -0.037 -16.763
  140   1HB   HYP  17          1HB       HYP  17 -12.424  -0.307 -18.989
  141   2HB   HYP  17          2HB       HYP  17 -11.931  -1.946 -18.618
  142   1HD   HYP  17          1HD1      HYP  17  -9.231   0.927 -17.333
  143   2HD   HYP  17          2HD1      HYP  17  -9.044  -0.767 -16.876
  144    HOD  HYP  17           HD2      HYP  17  -9.418   1.015 -19.348
  145    HG   HYP  17           HG       HYP  17  -9.742  -1.310 -19.048
  146    H    MET  18           H        MET  18 -10.333  -2.137 -15.809
  147    HA   MET  18           HA       MET  18 -11.715  -4.590 -15.522
  148   1HB   MET  18          2HB       MET  18  -9.387  -3.456 -13.902
  149   2HB   MET  18          1HB       MET  18 -10.003  -5.071 -13.665
  150   1HG   MET  18          2HG       MET  18  -9.700  -4.979 -16.408
  151   2HG   MET  18          1HG       MET  18  -8.388  -3.999 -15.841
  152   1HE   MET  18          3HE       MET  18  -7.103  -4.934 -13.565
  153   2HE   MET  18          2HE       MET  18  -6.173  -6.384 -13.873
  154   3HE   MET  18          1HE       MET  18  -6.059  -5.035 -14.999
  155    H    LYS  19           H        LYS  19 -13.111  -5.337 -14.240
  156    HA   LYS  19           HA       LYS  19 -14.752  -3.828 -12.527
  157   1HB   LYS  19          2HB       LYS  19 -15.740  -5.977 -11.869
  158   2HB   LYS  19          1HB       LYS  19 -15.346  -6.014 -13.575
  159   1HG   LYS  19          2HG       LYS  19 -13.076  -7.104 -12.824
  160   2HG   LYS  19          1HG       LYS  19 -13.878  -7.359 -11.286
  161   1HD   LYS  19          2HD       LYS  19 -14.441  -9.349 -12.312
  162   2HD   LYS  19          1HD       LYS  19 -15.814  -8.387 -12.825
  163   1HE   LYS  19          2HE       LYS  19 -14.616  -7.864 -14.968
  164   2HE   LYS  19          1HE       LYS  19 -13.271  -8.869 -14.444
  165   1HZ   LYS  19          3HZ       LYS  19 -16.035  -9.886 -14.622
  166   2HZ   LYS  19          2HZ       LYS  19 -14.952  -9.944 -15.929
  167   3HZ   LYS  19          1HZ       LYS  19 -14.593 -10.773 -14.489
  168    H    CYS  20           H        CYS  20 -11.927  -5.717 -11.755
  169    HA   CYS  20           HA       CYS  20 -12.030  -5.871  -8.967
  170   1HB   CYS  20          2HB       CYS  20  -9.766  -6.409  -9.071
  171   2HB   CYS  20          1HB       CYS  20 -10.364  -6.863 -10.644
  172    H    CYS  21           H        CYS  21 -11.043  -3.201 -10.989
  173    HA   CYS  21           HA       CYS  21 -10.260  -1.528  -8.686
  174   1HB   CYS  21          2HB       CYS  21 -10.257  -1.095 -11.679
  175   2HB   CYS  21          1HB       CYS  21  -9.801   0.141 -10.538
  176    H    ALA  22           H        ALA  22 -12.639  -1.594 -11.272
  177    HA   ALA  22           HA       ALA  22 -14.057   0.765 -10.722
  178   1HB   ALA  22          2HB       ALA  22 -14.341  -0.882 -12.677
  179   2HB   ALA  22          1HB       ALA  22 -15.392  -1.810 -11.623
  180   3HB   ALA  22          3HB       ALA  22 -15.820  -0.165 -12.057
   
  No H/Q in entry =         180
  Start of MODEL   10
    1   1H    ARG   1          3H        ARG   1  -0.138  -2.850 -15.925
    2   2H    ARG   1          2H        ARG   1  -1.238  -3.606 -16.978
    3   3H    ARG   1          1H        ARG   1  -1.790  -2.890 -15.538
    4    HA   ARG   1           HA       ARG   1  -1.750  -5.237 -15.240
    5   1HB   ARG   1          2HB       ARG   1   0.456  -6.454 -15.403
    6   2HB   ARG   1          1HB       ARG   1  -0.102  -5.848 -16.948
    7   1HG   ARG   1          2HG       ARG   1   1.492  -4.100 -17.012
    8   2HG   ARG   1          1HG       ARG   1   1.769  -4.138 -15.281
    9   1HD   ARG   1          2HD       ARG   1   2.795  -6.431 -15.539
   10   2HD   ARG   1          1HD       ARG   1   2.648  -6.245 -17.289
   11    HE   ARG   1           HE       ARG   1   3.973  -3.949 -16.246
   12   1HH1  ARG   1          1HH2      ARG   1   5.337  -5.961 -14.598
   13   2HH1  ARG   1          2HH2      ARG   1   6.632  -6.501 -15.614
   14   1HH2  ARG   1          1HH1      ARG   1   5.153  -5.192 -18.513
   15   2HH2  ARG   1          2HH1      ARG   1   6.524  -6.053 -17.896
   16    H    ASP   2           H        ASP   2  -0.745  -6.327 -13.362
   17    HA   ASP   2           HA       ASP   2  -0.393  -6.267 -11.064
   18   1HB   ASP   2          2HB       ASP   2   1.948  -5.990 -12.221
   19   2HB   ASP   2          1HB       ASP   2   1.872  -4.318 -11.695
   20    H    CYS   3           H        CYS   3  -2.351  -4.531 -11.876
   21    HA   CYS   3           HA       CYS   3  -1.998  -2.004 -10.350
   22   1HB   CYS   3          2HB       CYS   3  -4.176  -3.014 -12.174
   23   2HB   CYS   3          1HB       CYS   3  -4.264  -1.498 -11.327
   24    H    CYS   4           H        CYS   4  -4.307  -4.693 -10.563
   25    HA   CYS   4           HA       CYS   4  -5.584  -3.915  -8.060
   26   1HB   CYS   4          2HB       CYS   4  -5.844  -6.346  -9.832
   27   2HB   CYS   4          1HB       CYS   4  -6.806  -6.087  -8.405
   28    H    THR   5           H        THR   5  -2.743  -5.518  -8.767
   29    HA   THR   5           HA       THR   5  -2.732  -7.626  -6.852
   30    HB   THR   5           HB       THR   5  -0.110  -7.207  -7.022
   31    HG1  THR   5           HG1      THR   5  -0.630  -5.017  -7.759
   32   1HG2  THR   5          3HG2      THR   5  -1.770  -7.657  -9.563
   33   2HG2  THR   5          2HG2      THR   5  -0.108  -8.183  -9.315
   34   3HG2  THR   5          1HG2      THR   5  -1.408  -8.918  -8.395
   35    HA   HYP   6           HA       HYP   6  -3.445  -4.856  -3.564
   36   1HB   HYP   6          1HB       HYP   6  -4.227  -6.255  -1.986
   37   2HB   HYP   6          2HB       HYP   6  -2.596  -6.642  -1.463
   38   1HD   HYP   6          1HD1      HYP   6  -3.900  -7.947  -5.113
   39   2HD   HYP   6          2HD1      HYP   6  -2.237  -8.481  -4.822
   40    HOD  HYP   6           HD2      HYP   6  -5.220  -7.680  -3.390
   41    HG   HYP   6           HG       HYP   6  -2.712  -8.731  -2.544
   42    HA   HYP   7           HA       HYP   7  -3.430  -3.262  -2.162
   43   1HB   HYP   7          1HB       HYP   7  -2.899  -1.424  -0.963
   44   2HB   HYP   7          2HB       HYP   7  -2.233  -0.648  -2.391
   45   1HD   HYP   7          1HD1      HYP   7   0.240  -3.710  -1.175
   46   2HD   HYP   7          2HD1      HYP   7   0.510  -2.828  -2.684
   47    HOD  HYP   7           HD2      HYP   7  -0.054  -2.386   0.447
   48    HG   HYP   7           HG       HYP   7  -0.092  -0.933  -1.391
   49    H    ARG   8           H        ARG   8  -4.805  -2.123  -3.574
   50    HA   ARG   8           HA       ARG   8  -4.404  -2.551  -6.338
   51   1HB   ARG   8          2HB       ARG   8  -6.375  -0.809  -4.828
   52   2HB   ARG   8          1HB       ARG   8  -6.482  -1.100  -6.553
   53   1HG   ARG   8          2HG       ARG   8  -6.587  -3.570  -6.117
   54   2HG   ARG   8          1HG       ARG   8  -6.534  -3.252  -4.392
   55   1HD   ARG   8          2HD       ARG   8  -8.648  -1.981  -4.534
   56   2HD   ARG   8          1HD       ARG   8  -8.693  -2.220  -6.282
   57    HE   ARG   8           HE       ARG   8  -8.588  -4.775  -5.525
   58   1HH1  ARG   8          1HH2      ARG   8  -9.218  -4.382  -2.749
   59   2HH1  ARG   8          2HH2      ARG   8 -10.949  -4.374  -2.697
   60   1HH2  ARG   8          2HH1      ARG   8 -11.247  -3.778  -6.137
   61   2HH2  ARG   8          1HH1      ARG   8 -12.130  -4.020  -4.668
   62    H    LYS   9           H        LYS   9  -4.548  -0.892  -8.037
   63    HA   LYS   9           HA       LYS   9  -3.161   1.667  -7.405
   64   1HB   LYS   9          2HB       LYS   9  -1.783  -0.436  -8.485
   65   2HB   LYS   9          1HB       LYS   9  -2.424   0.249  -9.956
   66   1HG   LYS   9          2HG       LYS   9  -0.478   1.463  -9.803
   67   2HG   LYS   9          1HG       LYS   9  -1.543   2.549  -8.933
   68   1HD   LYS   9          2HD       LYS   9  -0.694   1.910  -6.811
   69   2HD   LYS   9          1HD       LYS   9  -0.050   0.390  -7.403
   70   1HE   LYS   9          2HE       LYS   9   1.034   3.099  -8.277
   71   2HE   LYS   9          1HE       LYS   9   1.715   2.151  -6.963
   72   1HZ   LYS   9          1HZ       LYS   9   1.542   0.354  -8.973
   73   2HZ   LYS   9          3HZ       LYS   9   1.949   1.786  -9.790
   74   3HZ   LYS   9          2HZ       LYS   9   2.937   1.216  -8.531
   75    H    CYS  10           H        CYS  10  -4.569  -0.133 -10.088
   76    HA   CYS  10           HA       CYS  10  -5.960   0.475 -11.849
   77   1HB   CYS  10          2HB       CYS  10  -7.182   2.300  -9.779
   78   2HB   CYS  10          1HB       CYS  10  -7.989   1.609 -11.163
   79    H    LYS  11           H        LYS  11  -3.558   2.128 -11.349
   80    HA   LYS  11           HA       LYS  11  -4.212   4.844 -12.177
   81   1HB   LYS  11          2HB       LYS  11  -2.229   4.030 -10.708
   82   2HB   LYS  11          1HB       LYS  11  -1.467   3.549 -12.206
   83   1HG   LYS  11          2HG       LYS  11  -2.355   6.211 -12.683
   84   2HG   LYS  11          1HG       LYS  11  -1.803   6.228 -11.023
   85   1HD   LYS  11          2HD       LYS  11   0.338   5.021 -11.926
   86   2HD   LYS  11          1HD       LYS  11  -0.230   5.490 -13.517
   87   1HE   LYS  11          2HE       LYS  11   1.242   7.253 -12.828
   88   2HE   LYS  11          1HE       LYS  11  -0.369   7.908 -12.580
   89   1HZ   LYS  11          1HZ       LYS  11  -0.210   7.195 -10.248
   90   2HZ   LYS  11          3HZ       LYS  11   1.390   6.700 -10.526
   91   3HZ   LYS  11          2HZ       LYS  11   0.972   8.339 -10.676
   92    H    ASP  12           H        ASP  12  -3.356   1.884 -13.733
   93    HA   ASP  12           HA       ASP  12  -2.510   3.047 -16.246
   94   1HB   ASP  12          2HB       ASP  12  -2.562   0.435 -15.080
   95   2HB   ASP  12          1HB       ASP  12  -3.515   0.318 -16.537
   96    H    ARG  13           H        ARG  13  -3.556   2.858 -18.242
   97    HA   ARG  13           HA       ARG  13  -6.261   3.815 -18.251
   98   1HB   ARG  13          2HB       ARG  13  -4.494   2.675 -20.473
   99   2HB   ARG  13          1HB       ARG  13  -6.060   3.396 -20.780
  100   1HG   ARG  13          2HG       ARG  13  -3.983   4.959 -19.203
  101   2HG   ARG  13          1HG       ARG  13  -3.850   4.872 -20.945
  102   1HD   ARG  13          2HD       ARG  13  -6.421   5.748 -19.561
  103   2HD   ARG  13          1HD       ARG  13  -5.171   6.877 -20.070
  104    HE   ARG  13           HE       ARG  13  -5.534   5.650 -22.396
  105   1HH1  ARG  13          2HH1      ARG  13  -7.987   4.285 -21.544
  106   2HH1  ARG  13          1HH1      ARG  13  -9.237   5.408 -21.967
  107   1HH2  ARG  13          1HH2      ARG  13  -6.996   8.088 -22.267
  108   2HH2  ARG  13          2HH2      ARG  13  -8.660   7.621 -22.386
  109    H    ARG  14           H        ARG  14  -4.845   0.757 -19.352
  110    HA   ARG  14           HA       ARG  14  -7.309  -0.590 -19.756
  111   1HB   ARG  14          2HB       ARG  14  -5.930  -2.607 -19.986
  112   2HB   ARG  14          1HB       ARG  14  -5.140  -1.260 -20.777
  113   1HG   ARG  14          2HG       ARG  14  -3.807  -0.942 -18.572
  114   2HG   ARG  14          1HG       ARG  14  -4.431  -2.507 -18.094
  115   1HD   ARG  14          2HD       ARG  14  -2.612  -3.374 -19.185
  116   2HD   ARG  14          1HD       ARG  14  -3.486  -3.039 -20.674
  117    HE   ARG  14           HE       ARG  14  -1.874  -0.838 -19.542
  118   1HH1  ARG  14          1HH2      ARG  14  -2.750  -0.798 -22.352
  119   2HH1  ARG  14          2HH2      ARG  14  -1.344  -1.336 -23.210
  120   1HH2  ARG  14          2HH1      ARG  14   0.151  -2.659 -20.332
  121   2HH2  ARG  14          1HH1      ARG  14   0.343  -2.418 -22.036
  122    H    CYS  15           H        CYS  15  -5.654   0.172 -16.876
  123    HA   CYS  15           HA       CYS  15  -6.855  -2.003 -15.286
  124   1HB   CYS  15          2HB       CYS  15  -4.960   0.254 -14.669
  125   2HB   CYS  15          1HB       CYS  15  -5.603  -0.808 -13.456
  126    H    LYS  16           H        LYS  16  -7.912   0.971 -16.356
  127    HA   LYS  16           HA       LYS  16  -9.152   1.947 -13.940
  128   1HB   LYS  16          2HB       LYS  16  -8.634   3.071 -16.379
  129   2HB   LYS  16          1HB       LYS  16 -10.329   2.706 -16.611
  130   1HG   LYS  16          2HG       LYS  16  -9.313   4.192 -14.159
  131   2HG   LYS  16          1HG       LYS  16  -9.778   5.001 -15.641
  132   1HD   LYS  16          2HD       LYS  16 -12.035   3.654 -15.416
  133   2HD   LYS  16          1HD       LYS  16 -11.534   3.397 -13.755
  134   1HE   LYS  16          2HE       LYS  16 -11.763   6.148 -15.046
  135   2HE   LYS  16          1HE       LYS  16 -12.997   5.417 -14.030
  136   1HZ   LYS  16          2HZ       LYS  16 -11.213   5.189 -12.306
  137   2HZ   LYS  16          1HZ       LYS  16 -10.255   6.202 -13.273
  138   3HZ   LYS  16          3HZ       LYS  16 -11.726   6.773 -12.643
  139    HA   HYP  17           HA       HYP  17 -13.139  -0.013 -15.588
  140   1HB   HYP  17          1HB       HYP  17 -13.480  -0.206 -17.848
  141   2HB   HYP  17          2HB       HYP  17 -12.856  -1.841 -17.755
  142   1HD   HYP  17          1HD1      HYP  17  -9.765   0.894 -17.455
  143   2HD   HYP  17          2HD1      HYP  17  -9.588  -0.825 -17.099
  144    HOD  HYP  17           HD2      HYP  17 -11.903   1.502 -18.180
  145    HG   HYP  17           HG       HYP  17 -11.038  -1.074 -19.016
  146    H    MET  18           H        MET  18 -10.306  -1.748 -15.101
  147    HA   MET  18           HA       MET  18 -10.886  -4.414 -14.893
  148   1HB   MET  18          2HB       MET  18  -9.184  -2.553 -13.266
  149   2HB   MET  18          1HB       MET  18  -9.369  -4.196 -12.687
  150   1HG   MET  18          2HG       MET  18  -8.604  -3.521 -15.527
  151   2HG   MET  18          1HG       MET  18  -7.444  -3.776 -14.263
  152   1HE   MET  18          1HE       MET  18  -7.908  -6.106 -12.659
  153   2HE   MET  18          3HE       MET  18  -7.378  -7.471 -13.620
  154   3HE   MET  18          2HE       MET  18  -6.431  -5.992 -13.648
  155    H    LYS  19           H        LYS  19 -11.661  -5.828 -13.451
  156    HA   LYS  19           HA       LYS  19 -14.096  -5.377 -12.208
  157   1HB   LYS  19          2HB       LYS  19 -12.917  -7.603 -12.781
  158   2HB   LYS  19          1HB       LYS  19 -12.093  -7.458 -11.244
  159   1HG   LYS  19          2HG       LYS  19 -13.967  -8.792 -10.722
  160   2HG   LYS  19          1HG       LYS  19 -14.477  -7.201 -10.195
  161   1HD   LYS  19          2HD       LYS  19 -15.715  -6.874 -12.333
  162   2HD   LYS  19          1HD       LYS  19 -15.149  -8.429 -12.914
  163   1HE   LYS  19          2HE       LYS  19 -16.836  -8.073 -10.399
  164   2HE   LYS  19          1HE       LYS  19 -17.485  -8.505 -11.975
  165   1HZ   LYS  19          3HZ       LYS  19 -15.797 -10.388 -11.898
  166   2HZ   LYS  19          2HZ       LYS  19 -15.698 -10.063 -10.234
  167   3HZ   LYS  19          1HZ       LYS  19 -17.184 -10.514 -10.925
  168    H    CYS  20           H        CYS  20 -10.970  -5.617 -10.493
  169    HA   CYS  20           HA       CYS  20 -12.020  -4.985  -7.936
  170   1HB   CYS  20          2HB       CYS  20  -9.845  -5.031  -7.208
  171   2HB   CYS  20          1HB       CYS  20  -9.650  -5.871  -8.713
  172    H    CYS  21           H        CYS  21 -11.058  -3.056 -10.616
  173    HA   CYS  21           HA       CYS  21 -11.276  -0.498  -9.127
  174   1HB   CYS  21          2HB       CYS  21 -10.553  -0.894 -12.026
  175   2HB   CYS  21          1HB       CYS  21 -10.217   0.492 -11.026
  176    H    ALA  22           H        ALA  22 -13.579  -2.302  -9.957
  177    HA   ALA  22           HA       ALA  22 -15.273  -0.146 -11.083
  178   1HB   ALA  22          2HB       ALA  22 -14.982  -2.936 -12.261
  179   2HB   ALA  22          1HB       ALA  22 -16.323  -1.867 -12.648
  180   3HB   ALA  22          3HB       ALA  22 -14.683  -1.402 -13.065
   
  No H/Q in entry =         180
  Start of MODEL   11
    1   1H    ARG   1          1H        ARG   1   4.041  -6.604 -12.659
    2   2H    ARG   1          3H        ARG   1   4.342  -4.957 -12.936
    3   3H    ARG   1          2H        ARG   1   5.142  -5.766 -11.675
    4    HA   ARG   1           HA       ARG   1   3.115  -6.065 -10.481
    5   1HB   ARG   1          2HB       ARG   1   3.860  -3.297 -11.456
    6   2HB   ARG   1          1HB       ARG   1   2.441  -3.452 -10.438
    7   1HG   ARG   1          2HG       ARG   1   3.842  -4.674  -8.736
    8   2HG   ARG   1          1HG       ARG   1   5.254  -4.379  -9.737
    9   1HD   ARG   1          2HD       ARG   1   5.065  -1.984  -9.456
   10   2HD   ARG   1          1HD       ARG   1   3.469  -2.128  -8.717
   11    HE   ARG   1           HE       ARG   1   5.010  -3.623  -7.025
   12   1HH1  ARG   1          1HH2      ARG   1   7.481  -2.404  -7.491
   13   2HH1  ARG   1          2HH2      ARG   1   7.458  -0.918  -6.599
   14   1HH2  ARG   1          1HH1      ARG   1   3.967  -0.926  -6.294
   15   2HH2  ARG   1          2HH1      ARG   1   5.416  -0.059  -5.904
   16    H    ASP   2           H        ASP   2   0.876  -4.929 -10.326
   17    HA   ASP   2           HA       ASP   2  -0.578  -4.965 -12.918
   18   1HB   ASP   2          2HB       ASP   2  -1.714  -6.492 -10.550
   19   2HB   ASP   2          1HB       ASP   2  -2.126  -6.646 -12.245
   20    H    CYS   3           H        CYS   3  -3.014  -4.581 -12.304
   21    HA   CYS   3           HA       CYS   3  -3.089  -1.948 -11.032
   22   1HB   CYS   3          2HB       CYS   3  -5.268  -3.645 -12.248
   23   2HB   CYS   3          1HB       CYS   3  -5.474  -2.000 -11.726
   24    H    CYS   4           H        CYS   4  -5.023  -4.877 -10.621
   25    HA   CYS   4           HA       CYS   4  -5.946  -4.046  -8.008
   26   1HB   CYS   4          2HB       CYS   4  -6.295  -6.740  -9.285
   27   2HB   CYS   4          1HB       CYS   4  -7.304  -5.985  -8.086
   28    H    THR   5           H        THR   5  -3.072  -5.557  -8.849
   29    HA   THR   5           HA       THR   5  -2.927  -7.564  -6.819
   30    HB   THR   5           HB       THR   5  -1.254  -7.475  -8.665
   31    HG1  THR   5           HG1      THR   5  -0.367  -7.173  -5.987
   32   1HG2  THR   5          3HG2      THR   5  -0.926  -4.836  -8.462
   33   2HG2  THR   5          2HG2      THR   5   0.157  -5.237  -7.136
   34   3HG2  THR   5          1HG2      THR   5   0.492  -5.834  -8.748
   35    HA   HYP   6           HA       HYP   6  -2.967  -4.693  -3.400
   36   1HB   HYP   6          1HB       HYP   6  -3.793  -6.083  -1.818
   37   2HB   HYP   6          2HB       HYP   6  -2.164  -6.615  -1.441
   38   1HD   HYP   6          1HD1      HYP   6  -3.785  -7.946  -4.999
   39   2HD   HYP   6          2HD1      HYP   6  -2.084  -8.379  -4.755
   40    HOD  HYP   6           HD2      HYP   6  -4.729  -8.504  -1.962
   41    HG   HYP   6           HG       HYP   6  -2.618  -8.694  -2.455
   42    HA   HYP   7           HA       HYP   7  -2.437  -3.169  -2.037
   43   1HB   HYP   7          1HB       HYP   7  -1.416  -1.491  -0.910
   44   2HB   HYP   7          2HB       HYP   7  -0.721  -0.859  -2.395
   45   1HD   HYP   7          1HD1      HYP   7   1.102  -4.417  -1.442
   46   2HD   HYP   7          2HD1      HYP   7   1.446  -3.553  -2.945
   47    HOD  HYP   7           HD2      HYP   7   1.291  -3.025   0.251
   48    HG   HYP   7           HG       HYP   7   1.374  -1.629  -1.567
   49    H    ARG   8           H        ARG   8  -3.862  -2.451  -3.492
   50    HA   ARG   8           HA       ARG   8  -3.638  -2.640  -6.234
   51   1HB   ARG   8          2HB       ARG   8  -5.445  -1.026  -4.431
   52   2HB   ARG   8          1HB       ARG   8  -5.642  -0.940  -6.166
   53   1HG   ARG   8          2HG       ARG   8  -5.499  -3.676  -5.796
   54   2HG   ARG   8          1HG       ARG   8  -6.239  -3.181  -4.289
   55   1HD   ARG   8          2HD       ARG   8  -8.077  -2.087  -5.464
   56   2HD   ARG   8          1HD       ARG   8  -7.268  -2.281  -7.016
   57    HE   ARG   8           HE       ARG   8  -7.785  -4.617  -6.983
   58   1HH1  ARG   8          1HH2      ARG   8  -7.568  -5.748  -4.473
   59   2HH1  ARG   8          2HH2      ARG   8  -9.162  -5.752  -3.800
   60   1HH2  ARG   8          2HH1      ARG   8 -10.370  -3.356  -6.043
   61   2HH2  ARG   8          1HH1      ARG   8 -10.781  -4.373  -4.701
   62    H    LYS   9           H        LYS   9  -4.091  -0.913  -7.812
   63    HA   LYS   9           HA       LYS   9  -2.461   1.542  -7.434
   64   1HB   LYS   9          2HB       LYS   9  -1.161  -0.353  -8.577
   65   2HB   LYS   9          1HB       LYS   9  -2.301  -0.256  -9.899
   66   1HG   LYS   9          2HG       LYS   9  -1.672   1.990 -10.447
   67   2HG   LYS   9          1HG       LYS   9  -0.767   2.194  -8.952
   68   1HD   LYS   9          2HD       LYS   9   0.735   0.262  -9.793
   69   2HD   LYS   9          1HD       LYS   9  -0.061   0.444 -11.347
   70   1HE   LYS   9          2HE       LYS   9   1.460   2.656  -9.884
   71   2HE   LYS   9          1HE       LYS   9   2.058   1.746 -11.262
   72   1HZ   LYS   9          2HZ       LYS   9  -0.353   3.459 -11.252
   73   2HZ   LYS   9          1HZ       LYS   9   1.158   3.868 -11.910
   74   3HZ   LYS   9          3HZ       LYS   9   0.251   2.614 -12.593
   75    H    CYS  10           H        CYS  10  -4.265  -0.078  -9.997
   76    HA   CYS  10           HA       CYS  10  -5.933   0.630 -11.449
   77   1HB   CYS  10          2HB       CYS  10  -6.779   2.048  -8.909
   78   2HB   CYS  10          1HB       CYS  10  -7.780   1.923 -10.326
   79    H    LYS  11           H        LYS  11  -3.522   2.513 -10.879
   80    HA   LYS  11           HA       LYS  11  -4.508   5.143 -11.679
   81   1HB   LYS  11          2HB       LYS  11  -2.112   4.072 -10.514
   82   2HB   LYS  11          1HB       LYS  11  -1.625   4.819 -12.021
   83   1HG   LYS  11          2HG       LYS  11  -2.786   6.924 -11.323
   84   2HG   LYS  11          1HG       LYS  11  -3.267   6.145  -9.829
   85   1HD   LYS  11          2HD       LYS  11  -1.313   7.309  -9.195
   86   2HD   LYS  11          1HD       LYS  11  -0.725   5.682  -9.451
   87   1HE   LYS  11          2HE       LYS  11  -0.690   7.431 -11.888
   88   2HE   LYS  11          1HE       LYS  11   0.400   7.905 -10.599
   89   1HZ   LYS  11          1HZ       LYS  11   1.183   5.564 -10.566
   90   2HZ   LYS  11          3HZ       LYS  11   0.293   5.295 -11.986
   91   3HZ   LYS  11          2HZ       LYS  11   1.553   6.433 -11.978
   92    H    ASP  12           H        ASP  12  -2.980   2.388 -13.152
   93    HA   ASP  12           HA       ASP  12  -2.342   3.522 -15.685
   94   1HB   ASP  12          2HB       ASP  12  -2.713   0.740 -14.616
   95   2HB   ASP  12          1HB       ASP  12  -2.744   0.931 -16.351
   96    H    ARG  13           H        ARG  13  -3.379   3.599 -17.584
   97    HA   ARG  13           HA       ARG  13  -6.210   3.995 -17.614
   98   1HB   ARG  13          2HB       ARG  13  -4.448   4.924 -19.247
   99   2HB   ARG  13          1HB       ARG  13  -4.403   3.341 -19.988
  100   1HG   ARG  13          2HG       ARG  13  -7.137   3.866 -19.979
  101   2HG   ARG  13          1HG       ARG  13  -6.471   5.481 -20.152
  102   1HD   ARG  13          2HD       ARG  13  -6.776   4.579 -22.387
  103   2HD   ARG  13          1HD       ARG  13  -5.042   4.568 -22.073
  104    HE   ARG  13           HE       ARG  13  -6.191   2.075 -21.227
  105   1HH1  ARG  13          2HH1      ARG  13  -3.685   2.241 -22.748
  106   2HH1  ARG  13          1HH1      ARG  13  -4.123   1.624 -24.308
  107   1HH2  ARG  13          1HH2      ARG  13  -7.554   2.035 -23.727
  108   2HH2  ARG  13          2HH2      ARG  13  -6.372   1.505 -24.875
  109    H    ARG  14           H        ARG  14  -4.105   1.348 -18.323
  110    HA   ARG  14           HA       ARG  14  -5.797  -0.508 -19.548
  111   1HB   ARG  14          2HB       ARG  14  -3.530  -1.081 -17.605
  112   2HB   ARG  14          1HB       ARG  14  -4.175  -2.208 -18.784
  113   1HG   ARG  14          2HG       ARG  14  -3.405  -0.827 -20.640
  114   2HG   ARG  14          1HG       ARG  14  -2.927   0.469 -19.562
  115   1HD   ARG  14          2HD       ARG  14  -1.603  -1.947 -18.663
  116   2HD   ARG  14          1HD       ARG  14  -1.351  -1.791 -20.394
  117    HE   ARG  14           HE       ARG  14  -0.508   0.188 -18.335
  118   1HH1  ARG  14          1HH2      ARG  14  -1.339   1.381 -20.977
  119   2HH1  ARG  14          2HH2      ARG  14   0.177   1.458 -21.813
  120   1HH2  ARG  14          2HH1      ARG  14   1.735  -0.765 -19.597
  121   2HH2  ARG  14          1HH1      ARG  14   1.964   0.210 -21.011
  122    H    CYS  15           H        CYS  15  -5.871   0.538 -16.267
  123    HA   CYS  15           HA       CYS  15  -7.174  -1.852 -15.201
  124   1HB   CYS  15          2HB       CYS  15  -7.015   0.815 -13.851
  125   2HB   CYS  15          1HB       CYS  15  -7.070  -0.772 -13.144
  126    H    LYS  16           H        LYS  16  -8.385   0.675 -17.041
  127    HA   LYS  16           HA       LYS  16 -10.761   1.394 -15.732
  128   1HB   LYS  16          2HB       LYS  16 -10.015   1.197 -18.671
  129   2HB   LYS  16          1HB       LYS  16 -11.601   1.753 -18.172
  130   1HG   LYS  16          2HG       LYS  16 -10.635   3.573 -16.878
  131   2HG   LYS  16          1HG       LYS  16  -9.012   2.949 -17.103
  132   1HD   LYS  16          2HD       LYS  16  -9.246   3.308 -19.580
  133   2HD   LYS  16          1HD       LYS  16 -10.840   3.990 -19.308
  134   1HE   LYS  16          2HE       LYS  16  -9.822   5.751 -17.843
  135   2HE   LYS  16          1HE       LYS  16  -8.228   5.097 -18.191
  136   1HZ   LYS  16          2HZ       LYS  16 -10.016   5.843 -20.397
  137   2HZ   LYS  16          1HZ       LYS  16  -9.142   7.041 -19.566
  138   3HZ   LYS  16          3HZ       LYS  16  -8.321   5.783 -20.358
  139    HA   HYP  17           HA       HYP  17 -13.094  -2.265 -17.695
  140   1HB   HYP  17          1HB       HYP  17 -12.289  -3.458 -19.484
  141   2HB   HYP  17          2HB       HYP  17 -11.407  -4.485 -18.371
  142   1HD   HYP  17          1HD1      HYP  17  -9.590  -0.786 -18.611
  143   2HD   HYP  17          2HD1      HYP  17  -9.152  -2.023 -17.424
  144    HOD  HYP  17           HD2      HYP  17 -10.717  -2.806 -20.994
  145    HG   HYP  17           HG       HYP  17  -9.465  -3.534 -19.254
  146    H    MET  18           H        MET  18 -10.278  -2.837 -15.775
  147    HA   MET  18           HA       MET  18 -11.102  -5.176 -14.367
  148   1HB   MET  18          2HB       MET  18  -9.292  -2.916 -13.445
  149   2HB   MET  18          1HB       MET  18  -9.429  -4.490 -12.677
  150   1HG   MET  18          2HG       MET  18  -8.791  -5.562 -14.860
  151   2HG   MET  18          1HG       MET  18  -8.535  -3.976 -15.525
  152   1HE   MET  18          3HE       MET  18  -7.708  -6.373 -12.787
  153   2HE   MET  18          2HE       MET  18  -6.576  -7.010 -13.991
  154   3HE   MET  18          1HE       MET  18  -5.987  -6.225 -12.517
  155    H    LYS  19           H        LYS  19 -12.848  -5.367 -13.374
  156    HA   LYS  19           HA       LYS  19 -14.540  -3.384 -12.280
  157   1HB   LYS  19          2HB       LYS  19 -15.081  -5.818 -12.924
  158   2HB   LYS  19          1HB       LYS  19 -14.468  -6.271 -11.344
  159   1HG   LYS  19          2HG       LYS  19 -16.194  -5.036 -10.200
  160   2HG   LYS  19          1HG       LYS  19 -16.614  -4.137 -11.641
  161   1HD   LYS  19          2HD       LYS  19 -18.321  -5.847 -11.244
  162   2HD   LYS  19          1HD       LYS  19 -17.455  -6.224 -12.719
  163   1HE   LYS  19          2HE       LYS  19 -17.827  -8.231 -11.233
  164   2HE   LYS  19          1HE       LYS  19 -16.127  -7.942 -11.561
  165   1HZ   LYS  19          1HZ       LYS  19 -17.494  -6.905  -9.154
  166   2HZ   LYS  19          3HZ       LYS  19 -16.724  -8.420  -9.205
  167   3HZ   LYS  19          2HZ       LYS  19 -15.825  -7.001  -9.450
  168    H    CYS  20           H        CYS  20 -11.850  -5.038 -10.800
  169    HA   CYS  20           HA       CYS  20 -12.420  -4.732  -8.081
  170   1HB   CYS  20          2HB       CYS  20 -10.189  -5.180  -7.699
  171   2HB   CYS  20          1HB       CYS  20 -10.378  -5.790  -9.314
  172    H    CYS  21           H        CYS  21 -11.217  -2.374 -10.361
  173    HA   CYS  21           HA       CYS  21 -10.737  -0.307  -8.346
  174   1HB   CYS  21          2HB       CYS  21 -10.935  -0.052 -11.372
  175   2HB   CYS  21          1HB       CYS  21 -10.185   1.082 -10.280
  176    H    ALA  22           H        ALA  22 -13.076  -1.055 -10.846
  177    HA   ALA  22           HA       ALA  22 -14.803   1.165 -10.532
  178   1HB   ALA  22          2HB       ALA  22 -14.807  -0.634 -12.371
  179   2HB   ALA  22          1HB       ALA  22 -15.745  -1.625 -11.263
  180   3HB   ALA  22          3HB       ALA  22 -16.384  -0.086 -11.816
   
  No H/Q in entry =         180
  Start of MODEL   12
    1   1H    ARG   1          2H        ARG   1   4.689  -7.073 -10.654
    2   2H    ARG   1          1H        ARG   1   4.872  -7.635  -9.061
    3   3H    ARG   1          3H        ARG   1   3.870  -8.472 -10.150
    4    HA   ARG   1           HA       ARG   1   2.458  -7.269  -8.728
    5   1HB   ARG   1          2HB       ARG   1   4.078  -5.638  -7.861
    6   2HB   ARG   1          1HB       ARG   1   4.249  -4.894  -9.439
    7   1HG   ARG   1          2HG       ARG   1   2.085  -3.918  -9.374
    8   2HG   ARG   1          1HG       ARG   1   1.523  -5.030  -8.147
    9   1HD   ARG   1          2HD       ARG   1   1.831  -3.010  -6.960
   10   2HD   ARG   1          1HD       ARG   1   3.295  -3.914  -6.586
   11    HE   ARG   1           HE       ARG   1   3.361  -2.086  -8.926
   12   1HH1  ARG   1          1HH1      ARG   1   5.793  -3.243  -7.671
   13   2HH1  ARG   1          2HH1      ARG   1   6.376  -1.939  -6.691
   14   1HH2  ARG   1          1HH2      ARG   1   3.316  -0.222  -6.848
   15   2HH2  ARG   1          2HH2      ARG   1   4.926  -0.170  -6.209
   16    H    ASP   2           H        ASP   2   0.537  -6.593  -9.572
   17    HA   ASP   2           HA       ASP   2   0.446  -5.756 -12.432
   18   1HB   ASP   2          2HB       ASP   2  -1.774  -7.403 -11.211
   19   2HB   ASP   2          1HB       ASP   2  -1.233  -7.341 -12.879
   20    H    CYS   3           H        CYS   3  -2.172  -5.333 -12.682
   21    HA   CYS   3           HA       CYS   3  -2.578  -2.725 -11.616
   22   1HB   CYS   3          2HB       CYS   3  -4.177  -4.699 -13.181
   23   2HB   CYS   3          1HB       CYS   3  -5.056  -3.412 -12.430
   24    H    CYS   4           H        CYS   4  -4.231  -5.744 -10.879
   25    HA   CYS   4           HA       CYS   4  -5.671  -4.533  -8.639
   26   1HB   CYS   4          2HB       CYS   4  -5.648  -7.400  -9.554
   27   2HB   CYS   4          1HB       CYS   4  -6.823  -6.625  -8.530
   28    H    THR   5           H        THR   5  -2.612  -5.401  -8.692
   29    HA   THR   5           HA       THR   5  -2.358  -7.265  -6.511
   30    HB   THR   5           HB       THR   5  -0.433  -5.353  -7.858
   31    HG1  THR   5           HG1      THR   5  -0.730  -7.102  -9.034
   32   1HG2  THR   5          2HG2      THR   5  -0.002  -7.315  -5.513
   33   2HG2  THR   5          1HG2      THR   5   1.307  -6.855  -6.589
   34   3HG2  THR   5          3HG2      THR   5   0.537  -5.646  -5.584
   35    HA   HYP   6           HA       HYP   6  -3.631  -4.107  -3.519
   36   1HB   HYP   6          1HB       HYP   6  -4.683  -5.290  -1.905
   37   2HB   HYP   6          2HB       HYP   6  -3.197  -6.087  -1.406
   38   1HD   HYP   6          1HD1      HYP   6  -3.713  -7.581  -5.112
   39   2HD   HYP   6          2HD1      HYP   6  -2.360  -7.797  -3.984
   40    HOD  HYP   6           HD2      HYP   6  -6.069  -7.456  -3.435
   41    HG   HYP   6           HG       HYP   6  -4.259  -7.983  -2.458
   42    HA   HYP   7           HA       HYP   7  -3.507  -2.382  -2.189
   43   1HB   HYP   7          1HB       HYP   7  -2.794  -0.499  -1.147
   44   2HB   HYP   7          2HB       HYP   7  -1.862  -0.018  -2.553
   45   1HD   HYP   7          1HD1      HYP   7  -0.118  -3.272  -0.739
   46   2HD   HYP   7          2HD1      HYP   7   0.494  -2.628  -2.267
   47    HOD  HYP   7           HD2      HYP   7  -0.260  -1.406   0.733
   48    HG   HYP   7           HG       HYP   7   0.081  -0.519  -1.272
   49    H    ARG   8           H        ARG   8  -4.581  -2.377  -4.018
   50    HA   ARG   8           HA       ARG   8  -3.682  -2.754  -6.601
   51   1HB   ARG   8          2HB       ARG   8  -6.156  -1.215  -5.759
   52   2HB   ARG   8          1HB       ARG   8  -5.882  -1.965  -7.321
   53   1HG   ARG   8          2HG       ARG   8  -5.458  -4.156  -5.855
   54   2HG   ARG   8          1HG       ARG   8  -6.365  -3.271  -4.644
   55   1HD   ARG   8          2HD       ARG   8  -8.183  -2.900  -6.360
   56   2HD   ARG   8          1HD       ARG   8  -7.300  -3.941  -7.466
   57    HE   ARG   8           HE       ARG   8  -8.015  -5.810  -6.221
   58   1HH1  ARG   8          1HH2      ARG   8  -7.269  -5.776  -3.627
   59   2HH1  ARG   8          2HH2      ARG   8  -8.618  -5.236  -2.689
   60   1HH2  ARG   8          2HH1      ARG   8 -10.265  -3.851  -5.452
   61   2HH2  ARG   8          1HH1      ARG   8 -10.358  -4.123  -3.743
   62    H    LYS   9           H        LYS   9  -3.143  -1.605  -8.293
   63    HA   LYS   9           HA       LYS   9  -2.077   1.080  -7.868
   64   1HB   LYS   9          2HB       LYS   9  -1.131  -0.914  -9.352
   65   2HB   LYS   9          1HB       LYS   9  -2.199  -0.285 -10.583
   66   1HG   LYS   9          2HG       LYS   9  -0.323   0.981 -11.064
   67   2HG   LYS   9          1HG       LYS   9  -1.086   2.059  -9.921
   68   1HD   LYS   9          2HD       LYS   9   1.065   1.961  -9.001
   69   2HD   LYS   9          1HD       LYS   9   0.299   0.664  -8.107
   70   1HE   LYS   9          2HE       LYS   9   2.412  -0.178  -8.939
   71   2HE   LYS   9          1HE       LYS   9   1.155  -0.953  -9.894
   72   1HZ   LYS   9          3HZ       LYS   9   2.722   1.432 -10.689
   73   2HZ   LYS   9          2HZ       LYS   9   2.936  -0.146 -11.274
   74   3HZ   LYS   9          1HZ       LYS   9   1.507   0.701 -11.620
   75    H    CYS  10           H        CYS  10  -4.177  -0.251 -10.356
   76    HA   CYS  10           HA       CYS  10  -5.900   0.610 -11.615
   77   1HB   CYS  10          2HB       CYS  10  -6.470   2.107  -9.037
   78   2HB   CYS  10          1HB       CYS  10  -7.605   1.892 -10.341
   79    H    LYS  11           H        LYS  11  -3.333   2.354 -11.084
   80    HA   LYS  11           HA       LYS  11  -4.216   5.042 -11.810
   81   1HB   LYS  11          2HB       LYS  11  -2.079   4.236 -10.447
   82   2HB   LYS  11          1HB       LYS  11  -1.356   4.041 -12.030
   83   1HG   LYS  11          2HG       LYS  11  -1.682   6.381 -12.564
   84   2HG   LYS  11          1HG       LYS  11  -2.704   6.637 -11.163
   85   1HD   LYS  11          2HD       LYS  11   0.157   5.672 -10.819
   86   2HD   LYS  11          1HD       LYS  11  -0.188   7.376 -11.034
   87   1HE   LYS  11          2HE       LYS  11  -1.687   7.358  -9.060
   88   2HE   LYS  11          1HE       LYS  11  -1.419   5.634  -8.850
   89   1HZ   LYS  11          3HZ       LYS  11   0.944   6.093  -8.561
   90   2HZ   LYS  11          2HZ       LYS  11   0.629   7.760  -8.673
   91   3HZ   LYS  11          1HZ       LYS  11  -0.018   6.857  -7.386
   92    H    ASP  12           H        ASP  12  -2.855   2.219 -13.289
   93    HA   ASP  12           HA       ASP  12  -2.363   3.306 -15.907
   94   1HB   ASP  12          2HB       ASP  12  -2.728   0.486 -14.822
   95   2HB   ASP  12          1HB       ASP  12  -2.359   0.785 -16.506
   96    H    ARG  13           H        ARG  13  -3.779   3.672 -17.503
   97    HA   ARG  13           HA       ARG  13  -6.581   3.585 -17.092
   98   1HB   ARG  13          2HB       ARG  13  -4.824   4.596 -19.072
   99   2HB   ARG  13          1HB       ARG  13  -5.843   3.475 -19.948
  100   1HG   ARG  13          2HG       ARG  13  -7.871   4.591 -18.952
  101   2HG   ARG  13          1HG       ARG  13  -6.819   5.755 -18.170
  102   1HD   ARG  13          2HD       ARG  13  -7.535   6.816 -20.199
  103   2HD   ARG  13          1HD       ARG  13  -5.898   6.268 -20.551
  104    HE   ARG  13           HE       ARG  13  -7.891   4.267 -21.236
  105   1HH1  ARG  13          1HH2      ARG  13  -5.540   4.530 -22.873
  106   2HH1  ARG  13          2HH2      ARG  13  -6.077   5.412 -24.263
  107   1HH2  ARG  13          2HH1      ARG  13  -8.979   6.550 -22.660
  108   2HH2  ARG  13          1HH1      ARG  13  -8.079   6.588 -24.140
  109    H    ARG  14           H        ARG  14  -4.494   1.064 -17.831
  110    HA   ARG  14           HA       ARG  14  -6.218  -0.586 -19.400
  111   1HB   ARG  14          2HB       ARG  14  -3.610  -0.698 -18.954
  112   2HB   ARG  14          1HB       ARG  14  -4.062  -1.686 -17.580
  113   1HG   ARG  14          2HG       ARG  14  -5.131  -3.334 -19.006
  114   2HG   ARG  14          1HG       ARG  14  -5.060  -2.274 -20.400
  115   1HD   ARG  14          2HD       ARG  14  -3.261  -3.988 -20.518
  116   2HD   ARG  14          1HD       ARG  14  -2.565  -2.382 -20.363
  117    HE   ARG  14           HE       ARG  14  -1.788  -2.961 -18.208
  118   1HH1  ARG  14          2HH1      ARG  14  -4.172  -3.923 -16.899
  119   2HH1  ARG  14          1HH1      ARG  14  -3.906  -5.627 -16.730
  120   1HH2  ARG  14          1HH2      ARG  14  -1.355  -5.677 -19.129
  121   2HH2  ARG  14          2HH2      ARG  14  -2.274  -6.644 -18.024
  122    H    CYS  15           H        CYS  15  -5.782  -0.057 -15.974
  123    HA   CYS  15           HA       CYS  15  -7.537  -2.309 -15.242
  124   1HB   CYS  15          2HB       CYS  15  -6.877  -0.564 -13.041
  125   2HB   CYS  15          1HB       CYS  15  -6.536  -2.243 -13.284
  126    H    LYS  16           H        LYS  16  -7.892   0.957 -16.014
  127    HA   LYS  16           HA       LYS  16  -9.824   1.950 -14.280
  128   1HB   LYS  16          2HB       LYS  16  -9.213   2.390 -17.193
  129   2HB   LYS  16          1HB       LYS  16 -10.763   2.970 -16.644
  130   1HG   LYS  16          2HG       LYS  16  -8.212   3.597 -15.112
  131   2HG   LYS  16          1HG       LYS  16  -8.655   4.535 -16.519
  132   1HD   LYS  16          2HD       LYS  16 -10.632   4.107 -14.243
  133   2HD   LYS  16          1HD       LYS  16  -9.448   5.393 -14.188
  134   1HE   LYS  16          2HE       LYS  16 -11.392   5.048 -16.512
  135   2HE   LYS  16          1HE       LYS  16 -11.697   6.088 -15.133
  136   1HZ   LYS  16          3HZ       LYS  16  -9.117   6.484 -16.337
  137   2HZ   LYS  16          2HZ       LYS  16 -10.422   6.826 -17.368
  138   3HZ   LYS  16          1HZ       LYS  16 -10.293   7.615 -15.870
  139    HA   HYP  17           HA       HYP  17 -13.400  -0.242 -16.476
  140   1HB   HYP  17          1HB       HYP  17 -13.282  -0.689 -18.719
  141   2HB   HYP  17          2HB       HYP  17 -12.728  -2.297 -18.306
  142   1HD   HYP  17          1HD1      HYP  17  -9.785   0.583 -17.815
  143   2HD   HYP  17          2HD1      HYP  17  -9.584  -1.055 -17.181
  144    HOD  HYP  17           HD2      HYP  17 -11.708   0.920 -19.094
  145    HG   HYP  17           HG       HYP  17 -10.661  -1.718 -19.220
  146    H    MET  18           H        MET  18 -10.623  -2.304 -15.960
  147    HA   MET  18           HA       MET  18 -11.687  -4.743 -15.280
  148   1HB   MET  18          2HB       MET  18  -9.299  -3.205 -14.319
  149   2HB   MET  18          1HB       MET  18  -9.728  -4.625 -13.398
  150   1HG   MET  18          2HG       MET  18  -9.780  -5.056 -16.326
  151   2HG   MET  18          1HG       MET  18  -8.228  -4.595 -15.703
  152   1HE   MET  18          1HE       MET  18 -11.199  -6.906 -14.595
  153   2HE   MET  18          3HE       MET  18 -10.755  -7.385 -16.251
  154   3HE   MET  18          2HE       MET  18 -10.478  -8.473 -14.899
  155    H    LYS  19           H        LYS  19 -12.767  -5.668 -13.801
  156    HA   LYS  19           HA       LYS  19 -14.560  -4.473 -12.084
  157   1HB   LYS  19          2HB       LYS  19 -14.793  -6.714 -11.019
  158   2HB   LYS  19          1HB       LYS  19 -14.770  -6.769 -12.764
  159   1HG   LYS  19          2HG       LYS  19 -13.219  -8.425 -12.485
  160   2HG   LYS  19          1HG       LYS  19 -12.087  -7.111 -12.298
  161   1HD   LYS  19          2HD       LYS  19 -11.582  -8.059 -10.285
  162   2HD   LYS  19          1HD       LYS  19 -13.065  -7.335  -9.703
  163   1HE   LYS  19          2HE       LYS  19 -14.282  -9.456 -10.412
  164   2HE   LYS  19          1HE       LYS  19 -12.710 -10.161 -10.773
  165   1HZ   LYS  19          2HZ       LYS  19 -12.078  -9.612  -8.449
  166   2HZ   LYS  19          1HZ       LYS  19 -13.700  -9.206  -8.157
  167   3HZ   LYS  19          3HZ       LYS  19 -13.291 -10.793  -8.602
  168    H    CYS  20           H        CYS  20 -11.318  -5.552 -11.150
  169    HA   CYS  20           HA       CYS  20 -11.614  -5.227  -8.366
  170   1HB   CYS  20          2HB       CYS  20  -9.331  -5.569  -8.219
  171   2HB   CYS  20          1HB       CYS  20  -9.791  -6.416  -9.662
  172    H    CYS  21           H        CYS  21 -11.453  -2.740 -10.689
  173    HA   CYS  21           HA       CYS  21 -10.690  -0.744  -8.595
  174   1HB   CYS  21          2HB       CYS  21 -10.371  -0.554 -11.599
  175   2HB   CYS  21          1HB       CYS  21  -9.920   0.677 -10.452
  176    H    ALA  22           H        ALA  22 -12.649  -1.363 -11.459
  177    HA   ALA  22           HA       ALA  22 -14.526   0.820 -10.700
  178   1HB   ALA  22          2HB       ALA  22 -13.995  -0.673 -13.288
  179   2HB   ALA  22          1HB       ALA  22 -15.448   0.291 -13.065
  180   3HB   ALA  22          3HB       ALA  22 -13.871   1.051 -12.967
   
  No H/Q in entry =         180
  Start of MODEL   13
    1   1H    ARG   1          3H        ARG   1   3.716  -9.442 -10.129
    2   2H    ARG   1          2H        ARG   1   3.645  -9.919  -8.500
    3   3H    ARG   1          1H        ARG   1   2.319 -10.200  -9.526
    4    HA   ARG   1           HA       ARG   1   1.823  -8.361  -8.137
    5   1HB   ARG   1          2HB       ARG   1   4.567  -7.836  -8.304
    6   2HB   ARG   1          1HB       ARG   1   3.923  -6.563  -9.309
    7   1HG   ARG   1          2HG       ARG   1   2.866  -7.159  -6.513
    8   2HG   ARG   1          1HG       ARG   1   4.170  -6.031  -6.812
    9   1HD   ARG   1          2HD       ARG   1   2.726  -4.611  -8.179
   10   2HD   ARG   1          1HD       ARG   1   1.419  -5.786  -8.106
   11    HE   ARG   1           HE       ARG   1   1.482  -5.398  -5.571
   12   1HH1  ARG   1          1HH1      ARG   1   3.780  -3.348  -6.334
   13   2HH1  ARG   1          2HH1      ARG   1   2.940  -1.870  -6.003
   14   1HH2  ARG   1          1HH2      ARG   1  -0.166  -3.480  -5.822
   15   2HH2  ARG   1          2HH2      ARG   1   0.619  -1.939  -5.706
   16    H    ASP   2           H        ASP   2   0.050  -7.893  -9.219
   17    HA   ASP   2           HA       ASP   2   0.217  -6.920 -12.030
   18   1HB   ASP   2          2HB       ASP   2  -2.270  -8.075 -10.733
   19   2HB   ASP   2          1HB       ASP   2  -1.862  -7.996 -12.439
   20    H    CYS   3           H        CYS   3  -2.232  -5.942 -12.316
   21    HA   CYS   3           HA       CYS   3  -2.078  -3.274 -11.304
   22   1HB   CYS   3          2HB       CYS   3  -4.065  -4.909 -12.835
   23   2HB   CYS   3          1HB       CYS   3  -4.620  -3.425 -12.135
   24    H    CYS   4           H        CYS   4  -4.429  -5.818 -10.643
   25    HA   CYS   4           HA       CYS   4  -5.569  -4.372  -8.396
   26   1HB   CYS   4          2HB       CYS   4  -6.019  -7.164  -9.439
   27   2HB   CYS   4          1HB       CYS   4  -6.978  -6.409  -8.198
   28    H    THR   5           H        THR   5  -2.793  -6.214  -8.561
   29    HA   THR   5           HA       THR   5  -2.956  -7.784  -6.176
   30    HB   THR   5           HB       THR   5  -0.568  -6.599  -7.692
   31    HG1  THR   5           HG1      THR   5  -1.356  -8.295  -8.731
   32   1HG2  THR   5          2HG2      THR   5  -0.644  -8.503  -5.267
   33   2HG2  THR   5          1HG2      THR   5   0.761  -8.301  -6.296
   34   3HG2  THR   5          3HG2      THR   5   0.197  -6.963  -5.315
   35    HA   HYP   6           HA       HYP   6  -3.602  -4.136  -3.718
   36   1HB   HYP   6          1HB       HYP   6  -4.534  -4.874  -1.789
   37   2HB   HYP   6          2HB       HYP   6  -3.033  -5.598  -1.237
   38   1HD   HYP   6          1HD1      HYP   6  -4.277  -7.596  -4.579
   39   2HD   HYP   6          2HD1      HYP   6  -2.788  -8.036  -3.729
   40    HOD  HYP   6           HD2      HYP   6  -6.066  -7.404  -2.285
   41    HG   HYP   6           HG       HYP   6  -4.056  -7.672  -1.742
   42    HA   HYP   7           HA       HYP   7  -3.386  -2.285  -2.614
   43   1HB   HYP   7          1HB       HYP   7  -2.580  -0.309  -1.850
   44   2HB   HYP   7          2HB       HYP   7  -1.876   0.033  -3.421
   45   1HD   HYP   7          1HD1      HYP   7   0.193  -2.955  -1.472
   46   2HD   HYP   7          2HD1      HYP   7   0.583  -2.535  -3.144
   47    HOD  HYP   7           HD2      HYP   7  -1.284  -1.533  -0.380
   48    HG   HYP   7           HG       HYP   7   0.256  -0.305  -2.432
   49    H    ARG   8           H        ARG   8  -4.702  -1.709  -4.312
   50    HA   ARG   8           HA       ARG   8  -4.168  -2.690  -6.903
   51   1HB   ARG   8          2HB       ARG   8  -6.178  -0.603  -5.985
   52   2HB   ARG   8          1HB       ARG   8  -6.217  -1.394  -7.548
   53   1HG   ARG   8          2HG       ARG   8  -6.413  -3.618  -6.408
   54   2HG   ARG   8          1HG       ARG   8  -6.422  -2.801  -4.855
   55   1HD   ARG   8          2HD       ARG   8  -8.433  -1.435  -5.796
   56   2HD   ARG   8          1HD       ARG   8  -8.511  -2.670  -7.049
   57    HE   ARG   8           HE       ARG   8  -8.403  -4.083  -4.638
   58   1HH1  ARG   8          1HH2      ARG   8  -9.907  -1.523  -3.839
   59   2HH1  ARG   8          2HH2      ARG   8 -11.551  -2.043  -4.016
   60   1HH2  ARG   8          2HH1      ARG   8 -10.670  -4.873  -5.877
   61   2HH2  ARG   8          1HH1      ARG   8 -11.992  -3.983  -5.200
   62    H    LYS   9           H        LYS   9  -4.127  -1.481  -8.919
   63    HA   LYS   9           HA       LYS   9  -2.673   1.126  -8.742
   64   1HB   LYS   9          2HB       LYS   9  -1.265  -1.000  -9.293
   65   2HB   LYS   9          1HB       LYS   9  -2.114  -1.026 -10.824
   66   1HG   LYS   9          2HG       LYS   9  -0.297   0.284 -11.438
   67   2HG   LYS   9          1HG       LYS   9  -1.374   1.556 -10.901
   68   1HD   LYS   9          2HD       LYS   9  -0.306   1.392  -8.597
   69   2HD   LYS   9          1HD       LYS   9   0.861   0.275  -9.283
   70   1HE   LYS   9          2HE       LYS   9   1.386   2.103 -11.027
   71   2HE   LYS   9          1HE       LYS   9   0.424   3.190 -10.036
   72   1HZ   LYS   9          1HZ       LYS   9   2.013   2.134  -8.197
   73   2HZ   LYS   9          3HZ       LYS   9   3.042   2.063  -9.546
   74   3HZ   LYS   9          2HZ       LYS   9   2.381   3.550  -9.060
   75    H    CYS  10           H        CYS  10  -5.331   1.103  -8.957
   76    HA   CYS  10           HA       CYS  10  -6.373   1.035 -11.631
   77   1HB   CYS  10          2HB       CYS  10  -7.411   2.650  -9.297
   78   2HB   CYS  10          1HB       CYS  10  -8.322   2.110 -10.681
   79    H    LYS  11           H        LYS  11  -4.006   2.939 -10.707
   80    HA   LYS  11           HA       LYS  11  -4.877   5.558 -11.640
   81   1HB   LYS  11          2HB       LYS  11  -2.820   4.643 -10.013
   82   2HB   LYS  11          1HB       LYS  11  -1.955   4.921 -11.508
   83   1HG   LYS  11          2HG       LYS  11  -3.021   7.256 -11.558
   84   2HG   LYS  11          1HG       LYS  11  -3.600   6.946  -9.933
   85   1HD   LYS  11          2HD       LYS  11  -0.654   6.649 -10.660
   86   2HD   LYS  11          1HD       LYS  11  -1.324   8.197 -10.194
   87   1HE   LYS  11          2HE       LYS  11  -1.636   5.724  -8.437
   88   2HE   LYS  11          1HE       LYS  11  -0.273   6.820  -8.299
   89   1HZ   LYS  11          1HZ       LYS  11  -3.067   7.761  -8.174
   90   2HZ   LYS  11          3HZ       LYS  11  -2.210   7.250  -6.801
   91   3HZ   LYS  11          2HZ       LYS  11  -1.657   8.580  -7.700
   92    H    ASP  12           H        ASP  12  -3.506   2.668 -12.914
   93    HA   ASP  12           HA       ASP  12  -2.636   3.846 -15.456
   94   1HB   ASP  12          2HB       ASP  12  -2.703   1.028 -14.303
   95   2HB   ASP  12          1HB       ASP  12  -2.205   1.347 -15.952
   96    H    ARG  13           H        ARG  13  -3.957   4.041 -17.148
   97    HA   ARG  13           HA       ARG  13  -6.730   3.547 -17.072
   98   1HB   ARG  13          2HB       ARG  13  -4.902   3.740 -19.505
   99   2HB   ARG  13          1HB       ARG  13  -6.649   3.885 -19.557
  100   1HG   ARG  13          2HG       ARG  13  -6.292   5.795 -17.752
  101   2HG   ARG  13          1HG       ARG  13  -4.630   5.773 -18.304
  102   1HD   ARG  13          2HD       ARG  13  -5.750   7.441 -19.636
  103   2HD   ARG  13          1HD       ARG  13  -5.565   6.047 -20.697
  104    HE   ARG  13           HE       ARG  13  -8.100   6.275 -19.166
  105   1HH1  ARG  13          2HH1      ARG  13  -8.419   4.437 -21.190
  106   2HH1  ARG  13          1HH1      ARG  13  -8.905   5.321 -22.598
  107   1HH2  ARG  13          1HH2      ARG  13  -7.786   8.381 -21.312
  108   2HH2  ARG  13          2HH2      ARG  13  -8.538   7.612 -22.669
  109    H    ARG  14           H        ARG  14  -4.148   1.422 -17.815
  110    HA   ARG  14           HA       ARG  14  -5.411  -0.557 -19.351
  111   1HB   ARG  14          2HB       ARG  14  -2.920  -0.289 -18.687
  112   2HB   ARG  14          1HB       ARG  14  -3.332  -1.132 -17.207
  113   1HG   ARG  14          2HG       ARG  14  -4.058  -3.109 -18.457
  114   2HG   ARG  14          1HG       ARG  14  -3.915  -2.256 -19.984
  115   1HD   ARG  14          2HD       ARG  14  -1.935  -3.662 -19.708
  116   2HD   ARG  14          1HD       ARG  14  -1.429  -1.987 -19.531
  117    HE   ARG  14           HE       ARG  14  -1.374  -2.331 -17.087
  118   1HH1  ARG  14          2HH1      ARG  14  -3.180  -4.725 -17.029
  119   2HH1  ARG  14          1HH1      ARG  14  -2.059  -6.016 -16.742
  120   1HH2  ARG  14          1HH2      ARG  14   0.717  -4.077 -17.639
  121   2HH2  ARG  14          2HH2      ARG  14   0.202  -5.640 -17.097
  122    H    CYS  15           H        CYS  15  -5.478   0.015 -15.896
  123    HA   CYS  15           HA       CYS  15  -7.331  -2.292 -15.536
  124   1HB   CYS  15          2HB       CYS  15  -6.439  -1.543 -12.985
  125   2HB   CYS  15          1HB       CYS  15  -5.957  -2.903 -13.936
  126    H    LYS  16           H        LYS  16  -7.982   0.538 -16.349
  127    HA   LYS  16           HA       LYS  16  -9.298   1.737 -14.061
  128   1HB   LYS  16          2HB       LYS  16  -8.800   2.441 -16.835
  129   2HB   LYS  16          1HB       LYS  16 -10.508   2.660 -16.530
  130   1HG   LYS  16          2HG       LYS  16 -10.130   4.222 -14.782
  131   2HG   LYS  16          1HG       LYS  16  -8.455   3.751 -14.587
  132   1HD   LYS  16          2HD       LYS  16  -7.775   5.308 -16.065
  133   2HD   LYS  16          1HD       LYS  16  -8.779   4.626 -17.328
  134   1HE   LYS  16          2HE       LYS  16 -10.712   5.960 -16.515
  135   2HE   LYS  16          1HE       LYS  16  -9.707   6.638 -15.241
  136   1HZ   LYS  16          3HZ       LYS  16  -8.568   6.854 -17.873
  137   2HZ   LYS  16          2HZ       LYS  16 -10.027   7.700 -17.679
  138   3HZ   LYS  16          1HZ       LYS  16  -8.717   8.018 -16.647
  139    HA   HYP  17           HA       HYP  17 -13.275  -0.150 -15.847
  140   1HB   HYP  17          1HB       HYP  17 -13.495  -0.450 -18.109
  141   2HB   HYP  17          2HB       HYP  17 -12.950  -2.101 -17.889
  142   1HD   HYP  17          1HD1      HYP  17  -9.834   0.617 -17.595
  143   2HD   HYP  17          2HD1      HYP  17  -9.633  -1.076 -17.136
  144    HOD  HYP  17           HD2      HYP  17 -11.180   0.371 -20.007
  145    HG   HYP  17           HG       HYP  17 -11.020  -1.509 -19.054
  146    H    MET  18           H        MET  18 -10.526  -1.998 -15.221
  147    HA   MET  18           HA       MET  18 -11.343  -4.610 -14.855
  148   1HB   MET  18          2HB       MET  18  -9.295  -2.853 -13.612
  149   2HB   MET  18          1HB       MET  18  -9.736  -4.205 -12.601
  150   1HG   MET  18          2HG       MET  18  -9.455  -5.372 -15.129
  151   2HG   MET  18          1HG       MET  18  -8.213  -4.166 -15.097
  152   1HE   MET  18          2HE       MET  18  -9.786  -6.750 -12.603
  153   2HE   MET  18          1HE       MET  18  -9.343  -7.634 -14.084
  154   3HE   MET  18          3HE       MET  18  -8.501  -7.941 -12.577
  155    H    LYS  19           H        LYS  19 -12.006  -5.880 -13.171
  156    HA   LYS  19           HA       LYS  19 -14.374  -5.115 -11.851
  157   1HB   LYS  19          2HB       LYS  19 -12.415  -7.372 -11.282
  158   2HB   LYS  19          1HB       LYS  19 -13.967  -7.235 -10.476
  159   1HG   LYS  19          2HG       LYS  19 -15.130  -7.311 -12.682
  160   2HG   LYS  19          1HG       LYS  19 -13.582  -7.410 -13.497
  161   1HD   LYS  19          2HD       LYS  19 -14.280  -9.669 -13.383
  162   2HD   LYS  19          1HD       LYS  19 -13.136  -9.533 -12.064
  163   1HE   LYS  19          2HE       LYS  19 -14.958  -9.320 -10.433
  164   2HE   LYS  19          1HE       LYS  19 -16.155  -9.226 -11.718
  165   1HZ   LYS  19          3HZ       LYS  19 -14.368 -11.553 -11.387
  166   2HZ   LYS  19          2HZ       LYS  19 -15.870 -11.433 -10.607
  167   3HZ   LYS  19          1HZ       LYS  19 -15.793 -11.439 -12.303
  168    H    CYS  20           H        CYS  20 -11.134  -5.541 -10.443
  169    HA   CYS  20           HA       CYS  20 -11.805  -4.726  -7.826
  170   1HB   CYS  20          2HB       CYS  20  -9.502  -4.753  -7.399
  171   2HB   CYS  20          1HB       CYS  20  -9.709  -5.902  -8.681
  172    H    CYS  21           H        CYS  21 -11.363  -2.902 -10.662
  173    HA   CYS  21           HA       CYS  21 -11.300  -0.320  -9.146
  174   1HB   CYS  21          2HB       CYS  21 -10.424  -0.832 -11.986
  175   2HB   CYS  21          1HB       CYS  21 -10.225   0.650 -11.093
  176    H    ALA  22           H        ALA  22 -13.585  -2.096 -10.077
  177    HA   ALA  22           HA       ALA  22 -14.948  -0.691 -12.191
  178   1HB   ALA  22          3HB       ALA  22 -15.981  -2.602 -10.058
  179   2HB   ALA  22          2HB       ALA  22 -16.918  -2.059 -11.443
  180   3HB   ALA  22          1HB       ALA  22 -15.474  -3.028 -11.686
   
  No H/Q in entry =         180
  Start of MODEL   14
    1   1H    ARG   1          1H        ARG   1  -3.692  -7.384 -12.921
    2   2H    ARG   1          3H        ARG   1  -3.820  -6.559 -14.399
    3   3H    ARG   1          2H        ARG   1  -4.127  -8.229 -14.330
    4    HA   ARG   1           HA       ARG   1  -1.850  -8.687 -13.802
    5   1HB   ARG   1          2HB       ARG   1  -2.660  -8.287 -16.247
    6   2HB   ARG   1          1HB       ARG   1  -1.916  -6.714 -16.126
    7   1HG   ARG   1          2HG       ARG   1  -0.124  -7.897 -17.012
    8   2HG   ARG   1          1HG       ARG   1   0.218  -8.114 -15.311
    9   1HD   ARG   1          2HD       ARG   1  -1.550 -10.239 -15.897
   10   2HD   ARG   1          1HD       ARG   1  -0.553 -10.111 -17.340
   11    HE   ARG   1           HE       ARG   1   1.439 -10.387 -15.894
   12   1HH1  ARG   1          1HH2      ARG   1   0.928  -9.887 -13.243
   13   2HH1  ARG   1          2HH2      ARG   1   0.373 -11.368 -12.543
   14   1HH2  ARG   1          1HH1      ARG   1  -0.391 -12.791 -15.647
   15   2HH2  ARG   1          2HH1      ARG   1  -0.388 -13.056 -13.935
   16    H    ASP   2           H        ASP   2  -0.952  -7.821 -12.006
   17    HA   ASP   2           HA       ASP   2   0.250  -6.387 -10.621
   18   1HB   ASP   2          2HB       ASP   2   1.241  -5.509 -13.385
   19   2HB   ASP   2          1HB       ASP   2   1.972  -4.961 -11.889
   20    H    CYS   3           H        CYS   3  -2.374  -5.591 -11.633
   21    HA   CYS   3           HA       CYS   3  -2.310  -2.622 -11.232
   22   1HB   CYS   3          2HB       CYS   3  -4.019  -4.505 -12.847
   23   2HB   CYS   3          1HB       CYS   3  -4.754  -3.064 -12.220
   24    H    CYS   4           H        CYS   4  -4.430  -5.422 -10.741
   25    HA   CYS   4           HA       CYS   4  -5.697  -4.164  -8.442
   26   1HB   CYS   4          2HB       CYS   4  -5.910  -6.966  -9.565
   27   2HB   CYS   4          1HB       CYS   4  -6.937  -6.303  -8.325
   28    H    THR   5           H        THR   5  -2.784  -5.601  -8.782
   29    HA   THR   5           HA       THR   5  -2.599  -7.393  -6.590
   30    HB   THR   5           HB       THR   5  -0.029  -6.592  -6.741
   31    HG1  THR   5           HG1      THR   5  -1.288  -5.525  -9.050
   32   1HG2  THR   5          3HG2      THR   5  -1.524  -7.827  -9.122
   33   2HG2  THR   5          2HG2      THR   5   0.221  -7.869  -8.908
   34   3HG2  THR   5          1HG2      THR   5  -0.820  -8.726  -7.788
   35    HA   HYP   6           HA       HYP   6  -3.093  -4.436  -3.330
   36   1HB   HYP   6          1HB       HYP   6  -3.565  -5.888  -1.670
   37   2HB   HYP   6          2HB       HYP   6  -1.855  -5.968  -1.275
   38   1HD   HYP   6          1HD1      HYP   6  -3.374  -7.787  -4.628
   39   2HD   HYP   6          2HD1      HYP   6  -1.614  -7.986  -4.591
   40    HOD  HYP   6           HD2      HYP   6  -3.675  -9.070  -2.582
   41    HG   HYP   6           HG       HYP   6  -1.668  -8.106  -2.243
   42    HA   HYP   7           HA       HYP   7  -2.938  -2.747  -2.140
   43   1HB   HYP   7          1HB       HYP   7  -2.283  -0.869  -1.058
   44   2HB   HYP   7          2HB       HYP   7  -1.916  -0.108  -2.598
   45   1HD   HYP   7          1HD1      HYP   7   0.847  -3.013  -1.602
   46   2HD   HYP   7          2HD1      HYP   7   0.906  -2.248  -3.195
   47    HOD  HYP   7           HD2      HYP   7   0.853  -1.296  -0.088
   48    HG   HYP   7           HG       HYP   7   0.386  -0.262  -2.031
   49    H    ARG   8           H        ARG   8  -4.500  -2.416  -3.629
   50    HA   ARG   8           HA       ARG   8  -4.198  -2.728  -6.357
   51   1HB   ARG   8          2HB       ARG   8  -6.338  -1.211  -4.831
   52   2HB   ARG   8          1HB       ARG   8  -6.459  -1.623  -6.526
   53   1HG   ARG   8          2HG       ARG   8  -5.727  -4.052  -5.215
   54   2HG   ARG   8          1HG       ARG   8  -6.907  -3.300  -4.170
   55   1HD   ARG   8          2HD       ARG   8  -8.221  -2.931  -6.503
   56   2HD   ARG   8          1HD       ARG   8  -7.227  -4.299  -6.986
   57    HE   ARG   8           HE       ARG   8  -8.399  -5.675  -5.447
   58   1HH1  ARG   8          1HH2      ARG   8  -8.576  -4.275  -3.011
   59   2HH1  ARG   8          2HH2      ARG   8 -10.205  -3.691  -2.923
   60   1HH2  ARG   8          2HH1      ARG   8 -10.747  -4.110  -6.362
   61   2HH2  ARG   8          1HH1      ARG   8 -11.467  -3.596  -4.873
   62    H    LYS   9           H        LYS   9  -3.201  -1.586  -7.820
   63    HA   LYS   9           HA       LYS   9  -2.504   1.220  -7.451
   64   1HB   LYS   9          2HB       LYS   9  -0.989  -0.475  -8.504
   65   2HB   LYS   9          1HB       LYS   9  -2.107  -0.618  -9.842
   66   1HG   LYS   9          2HG       LYS   9  -1.747   2.116  -9.800
   67   2HG   LYS   9          1HG       LYS   9  -0.214   1.606  -9.136
   68   1HD   LYS   9          2HD       LYS   9  -1.322   0.343 -11.670
   69   2HD   LYS   9          1HD       LYS   9  -0.460   1.863 -11.725
   70   1HE   LYS   9          2HE       LYS   9   1.232   0.251 -10.153
   71   2HE   LYS   9          1HE       LYS   9   0.614  -0.855 -11.370
   72   1HZ   LYS   9          3HZ       LYS   9   1.143   1.058 -12.963
   73   2HZ   LYS   9          2HZ       LYS   9   2.162   1.611 -11.722
   74   3HZ   LYS   9          1HZ       LYS   9   2.409   0.072 -12.404
   75    H    CYS  10           H        CYS  10  -4.115  -0.469 -10.107
   76    HA   CYS  10           HA       CYS  10  -5.713   0.203 -11.660
   77   1HB   CYS  10          2HB       CYS  10  -6.798   1.609  -9.198
   78   2HB   CYS  10          1HB       CYS  10  -7.697   1.365 -10.664
   79    H    LYS  11           H        LYS  11  -3.383   2.085 -11.114
   80    HA   LYS  11           HA       LYS  11  -4.426   4.752 -11.699
   81   1HB   LYS  11          2HB       LYS  11  -2.276   4.227 -10.388
   82   2HB   LYS  11          1HB       LYS  11  -1.547   3.775 -11.914
   83   1HG   LYS  11          2HG       LYS  11  -0.904   6.018 -11.721
   84   2HG   LYS  11          1HG       LYS  11  -2.323   6.155 -12.737
   85   1HD   LYS  11          2HD       LYS  11  -3.712   6.690 -10.734
   86   2HD   LYS  11          1HD       LYS  11  -2.303   6.510  -9.702
   87   1HE   LYS  11          2HE       LYS  11  -1.180   8.370 -10.968
   88   2HE   LYS  11          1HE       LYS  11  -2.650   8.577 -11.913
   89   1HZ   LYS  11          3HZ       LYS  11  -2.607   8.714  -8.963
   90   2HZ   LYS  11          2HZ       LYS  11  -2.396  10.074  -9.960
   91   3HZ   LYS  11          1HZ       LYS  11  -3.849   9.196 -10.015
   92    H    ASP  12           H        ASP  12  -2.605   2.277 -13.419
   93    HA   ASP  12           HA       ASP  12  -2.413   3.577 -15.932
   94   1HB   ASP  12          2HB       ASP  12  -2.371   0.678 -15.044
   95   2HB   ASP  12          1HB       ASP  12  -2.322   1.062 -16.749
   96    H    ARG  13           H        ARG  13  -3.818   3.854 -17.560
   97    HA   ARG  13           HA       ARG  13  -6.603   3.651 -17.231
   98   1HB   ARG  13          2HB       ARG  13  -4.883   3.748 -19.731
   99   2HB   ARG  13          1HB       ARG  13  -6.633   3.835 -19.805
  100   1HG   ARG  13          2HG       ARG  13  -6.727   5.965 -18.917
  101   2HG   ARG  13          1HG       ARG  13  -5.370   5.710 -17.842
  102   1HD   ARG  13          2HD       ARG  13  -4.815   7.360 -19.637
  103   2HD   ARG  13          1HD       ARG  13  -3.781   5.941 -19.718
  104    HE   ARG  13           HE       ARG  13  -4.742   5.421 -21.799
  105   1HH1  ARG  13          1HH2      ARG  13  -7.544   5.229 -21.015
  106   2HH1  ARG  13          2HH2      ARG  13  -8.296   6.542 -21.859
  107   1HH2  ARG  13          2HH1      ARG  13  -5.248   8.161 -22.458
  108   2HH2  ARG  13          1HH1      ARG  13  -6.961   8.246 -22.696
  109    H    ARG  14           H        ARG  14  -4.317   1.323 -18.280
  110    HA   ARG  14           HA       ARG  14  -5.863  -0.557 -19.632
  111   1HB   ARG  14          2HB       ARG  14  -3.309  -0.434 -19.178
  112   2HB   ARG  14          1HB       ARG  14  -3.649  -1.302 -17.695
  113   1HG   ARG  14          2HG       ARG  14  -4.670  -3.155 -19.003
  114   2HG   ARG  14          1HG       ARG  14  -4.415  -2.261 -20.492
  115   1HD   ARG  14          2HD       ARG  14  -2.573  -3.815 -20.320
  116   2HD   ARG  14          1HD       ARG  14  -1.904  -2.241 -19.910
  117    HE   ARG  14           HE       ARG  14  -2.119  -2.893 -17.503
  118   1HH1  ARG  14          1HH1      ARG  14  -2.757  -6.615 -18.061
  119   2HH1  ARG  14          2HH1      ARG  14  -3.853  -5.317 -18.399
  120   1HH2  ARG  14          1HH2      ARG  14  -0.003  -4.471 -17.740
  121   2HH2  ARG  14          2HH2      ARG  14  -0.522  -6.123 -17.679
  122    H    CYS  15           H        CYS  15  -5.660   0.024 -16.178
  123    HA   CYS  15           HA       CYS  15  -7.497  -2.273 -15.673
  124   1HB   CYS  15          2HB       CYS  15  -6.674  -1.488 -13.182
  125   2HB   CYS  15          1HB       CYS  15  -6.002  -2.757 -14.141
  126    H    LYS  16           H        LYS  16  -8.023   0.773 -16.397
  127    HA   LYS  16           HA       LYS  16  -9.463   1.777 -14.123
  128   1HB   LYS  16          2HB       LYS  16  -9.312   2.492 -17.055
  129   2HB   LYS  16          1HB       LYS  16 -10.659   3.126 -16.134
  130   1HG   LYS  16          2HG       LYS  16  -9.090   4.103 -14.484
  131   2HG   LYS  16          1HG       LYS  16  -7.733   3.392 -15.331
  132   1HD   LYS  16          2HD       LYS  16  -7.714   5.553 -16.233
  133   2HD   LYS  16          1HD       LYS  16  -8.686   4.727 -17.431
  134   1HE   LYS  16          2HE       LYS  16  -9.899   6.728 -16.901
  135   2HE   LYS  16          1HE       LYS  16 -10.749   5.465 -16.024
  136   1HZ   LYS  16          3HZ       LYS  16  -8.558   6.648 -14.578
  137   2HZ   LYS  16          2HZ       LYS  16  -9.819   7.728 -14.941
  138   3HZ   LYS  16          1HZ       LYS  16 -10.144   6.305 -14.073
  139    HA   HYP  17           HA       HYP  17 -13.382  -0.081 -16.063
  140   1HB   HYP  17          1HB       HYP  17 -13.517  -0.386 -18.328
  141   2HB   HYP  17          2HB       HYP  17 -12.991  -2.039 -18.079
  142   1HD   HYP  17          1HD1      HYP  17  -9.877   0.670 -17.704
  143   2HD   HYP  17          2HD1      HYP  17  -9.701  -1.017 -17.211
  144    HOD  HYP  17           HD2      HYP  17 -12.268   0.309 -19.978
  145    HG   HYP  17           HG       HYP  17 -11.013  -1.466 -19.178
  146    H    MET  18           H        MET  18 -10.624  -1.993 -15.444
  147    HA   MET  18           HA       MET  18 -11.505  -4.580 -15.039
  148   1HB   MET  18          2HB       MET  18  -9.520  -2.891 -13.528
  149   2HB   MET  18          1HB       MET  18  -9.824  -4.536 -13.024
  150   1HG   MET  18          2HG       MET  18  -9.164  -3.817 -15.879
  151   2HG   MET  18          1HG       MET  18  -7.952  -4.202 -14.696
  152   1HE   MET  18          3HE       MET  18  -8.356  -6.529 -13.164
  153   2HE   MET  18          2HE       MET  18  -8.020  -7.887 -14.220
  154   3HE   MET  18          1HE       MET  18  -7.004  -6.458 -14.322
  155    H    LYS  19           H        LYS  19 -12.473  -5.760 -13.510
  156    HA   LYS  19           HA       LYS  19 -14.646  -4.758 -12.072
  157   1HB   LYS  19          2HB       LYS  19 -13.178  -7.320 -12.238
  158   2HB   LYS  19          1HB       LYS  19 -13.921  -7.100 -10.674
  159   1HG   LYS  19          2HG       LYS  19 -15.613  -6.497 -13.107
  160   2HG   LYS  19          1HG       LYS  19 -15.247  -8.169 -12.761
  161   1HD   LYS  19          2HD       LYS  19 -17.306  -7.725 -11.623
  162   2HD   LYS  19          1HD       LYS  19 -16.086  -7.772 -10.368
  163   1HE   LYS  19          2HE       LYS  19 -16.006  -5.323 -10.283
  164   2HE   LYS  19          1HE       LYS  19 -17.072  -5.193 -11.675
  165   1HZ   LYS  19          2HZ       LYS  19 -17.896  -6.608  -9.226
  166   2HZ   LYS  19          1HZ       LYS  19 -18.041  -4.921  -9.386
  167   3HZ   LYS  19          3HZ       LYS  19 -18.867  -5.951 -10.456
  168    H    CYS  20           H        CYS  20 -11.460  -5.624 -10.729
  169    HA   CYS  20           HA       CYS  20 -12.024  -4.924  -8.057
  170   1HB   CYS  20          2HB       CYS  20  -9.766  -5.211  -7.669
  171   2HB   CYS  20          1HB       CYS  20  -9.942  -6.081  -9.162
  172    H    CYS  21           H        CYS  21 -11.284  -2.982 -10.804
  173    HA   CYS  21           HA       CYS  21 -11.148  -0.488  -9.161
  174   1HB   CYS  21          2HB       CYS  21 -10.492  -0.678 -12.083
  175   2HB   CYS  21          1HB       CYS  21  -9.933   0.498 -10.929
  176    H    ALA  22           H        ALA  22 -13.585  -1.943  -9.782
  177    HA   ALA  22           HA       ALA  22 -15.142   0.274 -10.921
  178   1HB   ALA  22          3HB       ALA  22 -15.132  -2.505 -12.195
  179   2HB   ALA  22          2HB       ALA  22 -16.279  -1.237 -12.592
  180   3HB   ALA  22          1HB       ALA  22 -14.573  -1.021 -12.946
   
  No H/Q in entry =         180
  Start of MODEL   15
    1   1H    ARG   1          1H        ARG   1   0.084  -4.656 -15.874
    2   2H    ARG   1          3H        ARG   1  -0.081  -6.048 -16.834
    3   3H    ARG   1          2H        ARG   1  -1.348  -5.565 -15.810
    4    HA   ARG   1           HA       ARG   1  -0.347  -7.330 -14.707
    5   1HB   ARG   1          2HB       ARG   1   2.178  -7.298 -14.297
    6   2HB   ARG   1          1HB       ARG   1   1.701  -7.576 -15.957
    7   1HG   ARG   1          2HG       ARG   1   2.106  -5.188 -16.506
    8   2HG   ARG   1          1HG       ARG   1   2.534  -4.859 -14.837
    9   1HD   ARG   1          2HD       ARG   1   4.053  -7.079 -16.204
   10   2HD   ARG   1          1HD       ARG   1   4.401  -5.434 -16.711
   11    HE   ARG   1           HE       ARG   1   5.286  -4.970 -14.555
   12   1HH1  ARG   1          1HH2      ARG   1   3.501  -5.928 -12.639
   13   2HH1  ARG   1          2HH2      ARG   1   4.191  -7.394 -12.031
   14   1HH2  ARG   1          1HH1      ARG   1   6.335  -7.753 -14.778
   15   2HH2  ARG   1          2HH1      ARG   1   5.837  -8.454 -13.274
   16    H    ASP   2           H        ASP   2   0.144  -7.373 -12.517
   17    HA   ASP   2           HA       ASP   2  -0.145  -6.588 -10.350
   18   1HB   ASP   2          2HB       ASP   2   2.139  -5.113 -11.608
   19   2HB   ASP   2          1HB       ASP   2   1.576  -4.430 -10.099
   20    H    CYS   3           H        CYS   3  -2.158  -5.784 -11.946
   21    HA   CYS   3           HA       CYS   3  -2.740  -2.931 -11.566
   22   1HB   CYS   3          2HB       CYS   3  -4.119  -5.296 -12.811
   23   2HB   CYS   3          1HB       CYS   3  -5.097  -3.930 -12.368
   24    H    CYS   4           H        CYS   4  -4.558  -5.821 -10.703
   25    HA   CYS   4           HA       CYS   4  -5.835  -4.498  -8.446
   26   1HB   CYS   4          2HB       CYS   4  -6.010  -7.424  -9.103
   27   2HB   CYS   4          1HB       CYS   4  -7.220  -6.395  -8.393
   28    H    THR   5           H        THR   5  -2.832  -5.552  -8.651
   29    HA   THR   5           HA       THR   5  -2.494  -7.374  -6.484
   30    HB   THR   5           HB       THR   5  -0.700  -6.898  -8.228
   31    HG1  THR   5           HG1      THR   5  -0.060  -6.337  -5.516
   32   1HG2  THR   5          3HG2      THR   5  -1.046  -4.248  -7.952
   33   2HG2  THR   5          2HG2      THR   5  -0.004  -4.436  -6.554
   34   3HG2  THR   5          1HG2      THR   5   0.585  -4.859  -8.146
   35    HA   HYP   6           HA       HYP   6  -3.317  -4.370  -3.230
   36   1HB   HYP   6          1HB       HYP   6  -3.842  -5.809  -1.562
   37   2HB   HYP   6          2HB       HYP   6  -2.144  -5.905  -1.129
   38   1HD   HYP   6          1HD1      HYP   6  -3.329  -7.846  -4.594
   39   2HD   HYP   6          2HD1      HYP   6  -1.580  -7.849  -4.301
   40    HOD  HYP   6           HD2      HYP   6  -4.278  -8.031  -1.423
   41    HG   HYP   6           HG       HYP   6  -2.046  -8.095  -1.987
   42    HA   HYP   7           HA       HYP   7  -3.188  -2.561  -2.286
   43   1HB   HYP   7          1HB       HYP   7  -2.622  -0.645  -1.220
   44   2HB   HYP   7          2HB       HYP   7  -1.871  -0.015  -2.678
   45   1HD   HYP   7          1HD1      HYP   7   0.454  -3.072  -1.202
   46   2HD   HYP   7          2HD1      HYP   7   0.775  -2.276  -2.748
   47    HOD  HYP   7           HD2      HYP   7  -1.077  -0.576   0.361
   48    HG   HYP   7           HG       HYP   7   0.208  -0.305  -1.545
   49    H    ARG   8           H        ARG   8  -4.504  -2.189  -3.982
   50    HA   ARG   8           HA       ARG   8  -3.848  -2.597  -6.648
   51   1HB   ARG   8          2HB       ARG   8  -6.117  -1.024  -5.405
   52   2HB   ARG   8          1HB       ARG   8  -6.014  -1.364  -7.119
   53   1HG   ARG   8          2HG       ARG   8  -5.629  -3.881  -6.218
   54   2HG   ARG   8          1HG       ARG   8  -6.511  -3.253  -4.842
   55   1HD   ARG   8          2HD       ARG   8  -8.360  -2.527  -6.337
   56   2HD   ARG   8          1HD       ARG   8  -7.464  -3.106  -7.741
   57    HE   ARG   8           HE       ARG   8  -7.732  -5.390  -6.913
   58   1HH1  ARG   8          1HH2      ARG   8  -8.253  -4.087  -4.071
   59   2HH1  ARG   8          2HH2      ARG   8  -9.877  -4.632  -3.814
   60   1HH2  ARG   8          2HH1      ARG   8 -10.300  -5.590  -7.155
   61   2HH2  ARG   8          1HH1      ARG   8 -11.065  -5.505  -5.604
   62    H    LYS   9           H        LYS   9  -3.261  -1.464  -8.357
   63    HA   LYS   9           HA       LYS   9  -2.022   1.149  -7.948
   64   1HB   LYS   9          2HB       LYS   9  -1.194  -0.838  -9.446
   65   2HB   LYS   9          1HB       LYS   9  -2.375  -0.293 -10.611
   66   1HG   LYS   9          2HG       LYS   9  -0.720   1.099 -11.364
   67   2HG   LYS   9          1HG       LYS   9  -1.131   2.111 -10.004
   68   1HD   LYS   9          2HD       LYS   9   0.899  -0.153  -9.745
   69   2HD   LYS   9          1HD       LYS   9   1.366   1.424 -10.344
   70   1HE   LYS   9          2HE       LYS   9   0.358   2.430  -8.215
   71   2HE   LYS   9          1HE       LYS   9   0.195   0.785  -7.609
   72   1HZ   LYS   9          1HZ       LYS   9   2.606   0.519  -8.047
   73   2HZ   LYS   9          3HZ       LYS   9   2.682   2.187  -8.362
   74   3HZ   LYS   9          2HZ       LYS   9   2.220   1.634  -6.823
   75    H    CYS  10           H        CYS  10  -4.468  -0.143 -10.112
   76    HA   CYS  10           HA       CYS  10  -6.157   0.825 -11.372
   77   1HB   CYS  10          2HB       CYS  10  -6.595   2.216  -8.719
   78   2HB   CYS  10          1HB       CYS  10  -7.801   2.015  -9.962
   79    H    LYS  11           H        LYS  11  -3.618   2.411 -11.337
   80    HA   LYS  11           HA       LYS  11  -4.606   5.163 -11.836
   81   1HB   LYS  11          2HB       LYS  11  -2.373   4.406 -10.544
   82   2HB   LYS  11          1HB       LYS  11  -1.717   4.313 -12.164
   83   1HG   LYS  11          2HG       LYS  11  -1.242   6.538 -11.551
   84   2HG   LYS  11          1HG       LYS  11  -2.706   6.714 -12.490
   85   1HD   LYS  11          2HD       LYS  11  -3.543   7.846 -10.691
   86   2HD   LYS  11          1HD       LYS  11  -3.761   6.276  -9.952
   87   1HE   LYS  11          2HE       LYS  11  -1.170   7.852  -9.696
   88   2HE   LYS  11          1HE       LYS  11  -2.486   7.964  -8.537
   89   1HZ   LYS  11          3HZ       LYS  11  -2.231   5.345  -8.640
   90   2HZ   LYS  11          2HZ       LYS  11  -0.639   5.778  -9.040
   91   3HZ   LYS  11          1HZ       LYS  11  -1.325   6.321  -7.585
   92    H    ASP  12           H        ASP  12  -3.330   2.355 -13.370
   93    HA   ASP  12           HA       ASP  12  -2.886   3.484 -15.984
   94   1HB   ASP  12          2HB       ASP  12  -3.329   0.551 -15.391
   95   2HB   ASP  12          1HB       ASP  12  -2.317   1.260 -16.624
   96    H    ARG  13           H        ARG  13  -4.156   3.471 -17.750
   97    HA   ARG  13           HA       ARG  13  -7.021   3.322 -17.432
   98   1HB   ARG  13          2HB       ARG  13  -5.289   3.474 -19.935
   99   2HB   ARG  13          1HB       ARG  13  -7.027   3.665 -19.935
  100   1HG   ARG  13          2HG       ARG  13  -5.653   5.409 -17.943
  101   2HG   ARG  13          1HG       ARG  13  -5.169   5.722 -19.595
  102   1HD   ARG  13          2HD       ARG  13  -7.576   5.951 -20.246
  103   2HD   ARG  13          1HD       ARG  13  -8.039   5.712 -18.562
  104    HE   ARG  13           HE       ARG  13  -6.724   7.796 -18.041
  105   1HH1  ARG  13          1HH2      ARG  13  -5.255   8.939 -19.863
  106   2HH1  ARG  13          2HH2      ARG  13  -6.258   9.778 -20.999
  107   1HH2  ARG  13          2HH1      ARG  13  -9.140   8.031 -20.057
  108   2HH2  ARG  13          1HH1      ARG  13  -8.509   9.254 -21.111
  109    H    ARG  14           H        ARG  14  -4.815   0.930 -17.603
  110    HA   ARG  14           HA       ARG  14  -6.298  -1.002 -19.208
  111   1HB   ARG  14          2HB       ARG  14  -3.738  -1.254 -17.569
  112   2HB   ARG  14          1HB       ARG  14  -4.367  -2.507 -18.621
  113   1HG   ARG  14          2HG       ARG  14  -3.860   0.254 -19.760
  114   2HG   ARG  14          1HG       ARG  14  -2.504  -0.818 -19.485
  115   1HD   ARG  14          2HD       ARG  14  -3.375  -2.488 -20.980
  116   2HD   ARG  14          1HD       ARG  14  -4.954  -1.705 -21.053
  117    HE   ARG  14           HE       ARG  14  -3.657   0.264 -22.100
  118   1HH1  ARG  14          1HH2      ARG  14  -1.017  -0.459 -22.396
  119   2HH1  ARG  14          2HH2      ARG  14  -0.909  -1.402 -23.846
  120   1HH2  ARG  14          2HH1      ARG  14  -4.349  -2.060 -23.908
  121   2HH2  ARG  14          1HH1      ARG  14  -2.846  -2.334 -24.724
  122    H    CYS  15           H        CYS  15  -5.460  -0.278 -15.884
  123    HA   CYS  15           HA       CYS  15  -6.893  -2.597 -14.788
  124   1HB   CYS  15          2HB       CYS  15  -5.877  -0.270 -13.193
  125   2HB   CYS  15          1HB       CYS  15  -6.006  -1.941 -12.732
  126    H    LYS  16           H        LYS  16  -7.310   0.887 -14.981
  127    HA   LYS  16           HA       LYS  16  -9.438   1.378 -13.329
  128   1HB   LYS  16          2HB       LYS  16  -8.486   2.532 -15.927
  129   2HB   LYS  16          1HB       LYS  16 -10.086   3.012 -15.419
  130   1HG   LYS  16          2HG       LYS  16  -8.011   3.055 -13.270
  131   2HG   LYS  16          1HG       LYS  16  -7.717   4.176 -14.576
  132   1HD   LYS  16          2HD       LYS  16 -10.444   3.978 -13.250
  133   2HD   LYS  16          1HD       LYS  16  -9.187   4.980 -12.565
  134   1HE   LYS  16          2HE       LYS  16  -9.971   6.616 -13.966
  135   2HE   LYS  16          1HE       LYS  16  -9.141   5.767 -15.259
  136   1HZ   LYS  16          3HZ       LYS  16 -11.922   5.211 -14.417
  137   2HZ   LYS  16          2HZ       LYS  16 -11.487   6.231 -15.707
  138   3HZ   LYS  16          1HZ       LYS  16 -11.117   4.576 -15.776
  139    HA   HYP  17           HA       HYP  17 -12.754   0.190 -16.542
  140   1HB   HYP  17          1HB       HYP  17 -12.394  -0.187 -18.780
  141   2HB   HYP  17          2HB       HYP  17 -11.714  -1.768 -18.435
  142   1HD   HYP  17          1HD1      HYP  17  -8.956   0.877 -17.017
  143   2HD   HYP  17          2HD1      HYP  17  -8.977  -0.879 -16.837
  144    HOD  HYP  17           HD2      HYP  17  -9.930   1.243 -19.716
  145    HG   HYP  17           HG       HYP  17  -9.691  -0.765 -19.149
  146    H    MET  18           H        MET  18 -10.336  -2.240 -15.868
  147    HA   MET  18           HA       MET  18 -11.924  -4.559 -15.590
  148   1HB   MET  18          2HB       MET  18  -9.440  -3.733 -13.989
  149   2HB   MET  18          1HB       MET  18 -10.125  -5.336 -13.968
  150   1HG   MET  18          2HG       MET  18  -9.739  -5.610 -16.340
  151   2HG   MET  18          1HG       MET  18  -9.231  -3.955 -16.503
  152   1HE   MET  18          2HE       MET  18  -8.364  -7.008 -14.165
  153   2HE   MET  18          1HE       MET  18  -8.300  -7.553 -15.857
  154   3HE   MET  18          3HE       MET  18  -6.839  -7.476 -14.889
  155    H    LYS  19           H        LYS  19 -13.388  -5.202 -14.141
  156    HA   LYS  19           HA       LYS  19 -14.691  -3.486 -12.362
  157   1HB   LYS  19          2HB       LYS  19 -14.522  -6.520 -12.251
  158   2HB   LYS  19          1HB       LYS  19 -15.729  -5.551 -11.423
  159   1HG   LYS  19          2HG       LYS  19 -16.355  -4.565 -13.715
  160   2HG   LYS  19          1HG       LYS  19 -15.327  -5.779 -14.446
  161   1HD   LYS  19          2HD       LYS  19 -17.637  -6.454 -12.571
  162   2HD   LYS  19          1HD       LYS  19 -17.800  -6.375 -14.312
  163   1HE   LYS  19          2HE       LYS  19 -15.806  -8.068 -14.387
  164   2HE   LYS  19          1HE       LYS  19 -16.162  -8.338 -12.685
  165   1HZ   LYS  19          1HZ       LYS  19 -18.586  -8.538 -13.689
  166   2HZ   LYS  19          3HZ       LYS  19 -17.692  -9.048 -15.042
  167   3HZ   LYS  19          2HZ       LYS  19 -17.525  -9.858 -13.558
  168    H    CYS  20           H        CYS  20 -11.772  -5.252 -11.714
  169    HA   CYS  20           HA       CYS  20 -11.934  -5.366  -8.883
  170   1HB   CYS  20          2HB       CYS  20  -9.777  -6.144  -8.963
  171   2HB   CYS  20          1HB       CYS  20 -10.267  -6.445 -10.602
  172    H    CYS  21           H        CYS  21 -11.418  -2.709 -10.964
  173    HA   CYS  21           HA       CYS  21 -10.549  -0.955  -8.706
  174   1HB   CYS  21          2HB       CYS  21  -9.967  -0.854 -11.674
  175   2HB   CYS  21          1HB       CYS  21  -9.711   0.520 -10.634
  176    H    ALA  22           H        ALA  22 -12.435  -1.283 -11.652
  177    HA   ALA  22           HA       ALA  22 -13.864   1.178 -11.493
  178   1HB   ALA  22          3HB       ALA  22 -13.676  -0.628 -13.437
  179   2HB   ALA  22          2HB       ALA  22 -15.123  -1.292 -12.703
  180   3HB   ALA  22          1HB       ALA  22 -15.120   0.358 -13.299
   
  No H/Q in entry =         180
  Start of MODEL   16
    1   1H    ARG   1          1H        ARG   1   1.331  -6.725 -15.111
    2   2H    ARG   1          3H        ARG   1   1.292  -8.427 -15.108
    3   3H    ARG   1          2H        ARG   1   0.709  -7.563 -16.454
    4    HA   ARG   1           HA       ARG   1  -1.178  -6.854 -15.384
    5   1HB   ARG   1          2HB       ARG   1  -1.185  -9.362 -15.697
    6   2HB   ARG   1          1HB       ARG   1  -0.540  -9.559 -14.080
    7   1HG   ARG   1          2HG       ARG   1  -2.548  -8.574 -13.080
    8   2HG   ARG   1          1HG       ARG   1  -3.162  -8.095 -14.652
    9   1HD   ARG   1          2HD       ARG   1  -2.610 -11.021 -14.036
   10   2HD   ARG   1          1HD       ARG   1  -4.133 -10.266 -13.585
   11    HE   ARG   1           HE       ARG   1  -4.378  -9.657 -16.039
   12   1HH1  ARG   1          1HH1      ARG   1  -1.937 -10.428 -17.252
   13   2HH1  ARG   1          2HH1      ARG   1  -2.172 -12.073 -17.745
   14   1HH2  ARG   1          1HH2      ARG   1  -4.926 -12.522 -15.626
   15   2HH2  ARG   1          2HH2      ARG   1  -3.910 -13.290 -16.800
   16    H    ASP   2           H        ASP   2  -1.039  -5.179 -14.069
   17    HA   ASP   2           HA       ASP   2  -0.808  -5.599 -11.174
   18   1HB   ASP   2          2HB       ASP   2   0.905  -3.573 -11.125
   19   2HB   ASP   2          1HB       ASP   2   1.521  -5.169 -11.491
   20    H    CYS   3           H        CYS   3  -2.798  -4.925 -10.904
   21    HA   CYS   3           HA       CYS   3  -3.403  -2.057 -11.205
   22   1HB   CYS   3          2HB       CYS   3  -4.719  -4.254 -12.735
   23   2HB   CYS   3          1HB       CYS   3  -5.735  -2.969 -12.145
   24    H    CYS   4           H        CYS   4  -4.512  -5.245 -10.307
   25    HA   CYS   4           HA       CYS   4  -6.066  -4.154  -8.026
   26   1HB   CYS   4          2HB       CYS   4  -6.083  -6.956  -9.119
   27   2HB   CYS   4          1HB       CYS   4  -7.268  -6.200  -8.098
   28    H    THR   5           H        THR   5  -3.135  -5.559  -8.792
   29    HA   THR   5           HA       THR   5  -2.708  -7.330  -6.606
   30    HB   THR   5           HB       THR   5  -1.201  -7.338  -8.588
   31    HG1  THR   5           HG1      THR   5   0.018  -6.497  -6.161
   32   1HG2  THR   5          3HG2      THR   5  -1.160  -4.713  -8.837
   33   2HG2  THR   5          2HG2      THR   5   0.008  -4.730  -7.525
   34   3HG2  THR   5          1HG2      THR   5   0.369  -5.547  -9.034
   35    HA   HYP   6           HA       HYP   6  -2.623  -4.294  -3.379
   36   1HB   HYP   6          1HB       HYP   6  -2.763  -5.612  -1.552
   37   2HB   HYP   6          2HB       HYP   6  -1.028  -5.857  -1.558
   38   1HD   HYP   6          1HD1      HYP   6  -3.026  -7.743  -4.631
   39   2HD   HYP   6          2HD1      HYP   6  -1.258  -7.856  -4.643
   40    HOD  HYP   6           HD2      HYP   6  -4.027  -7.103  -2.715
   41    HG   HYP   6           HG       HYP   6  -1.384  -8.065  -2.282
   42    HA   HYP   7           HA       HYP   7  -2.298  -2.555  -2.327
   43   1HB   HYP   7          1HB       HYP   7  -1.528  -0.615  -1.435
   44   2HB   HYP   7          2HB       HYP   7  -1.229   0.034  -3.042
   45   1HD   HYP   7          1HD1      HYP   7   1.461  -2.935  -2.082
   46   2HD   HYP   7          2HD1      HYP   7   1.473  -2.223  -3.699
   47    HOD  HYP   7           HD2      HYP   7   1.635  -1.163  -0.634
   48    HG   HYP   7           HG       HYP   7   1.093  -0.183  -2.589
   49    H    ARG   8           H        ARG   8  -4.004  -2.210  -3.657
   50    HA   ARG   8           HA       ARG   8  -4.151  -2.764  -6.311
   51   1HB   ARG   8          2HB       ARG   8  -5.783  -1.078  -4.455
   52   2HB   ARG   8          1HB       ARG   8  -6.137  -0.891  -6.145
   53   1HG   ARG   8          2HG       ARG   8  -5.905  -3.730  -5.606
   54   2HG   ARG   8          1HG       ARG   8  -6.903  -3.032  -4.351
   55   1HD   ARG   8          2HD       ARG   8  -8.497  -2.183  -5.908
   56   2HD   ARG   8          1HD       ARG   8  -7.388  -2.392  -7.260
   57    HE   ARG   8           HE       ARG   8  -7.967  -4.635  -7.373
   58   1HH1  ARG   8          2HH1      ARG   8  -7.537  -6.071  -5.169
   59   2HH1  ARG   8          1HH1      ARG   8  -9.038  -6.252  -4.323
   60   1HH2  ARG   8          1HH2      ARG   8 -10.532  -3.569  -6.017
   61   2HH2  ARG   8          2HH2      ARG   8 -10.782  -4.793  -4.816
   62    H    LYS   9           H        LYS   9  -3.050  -2.085  -7.889
   63    HA   LYS   9           HA       LYS   9  -2.038   0.660  -8.172
   64   1HB   LYS   9          2HB       LYS   9  -0.721  -1.463  -8.650
   65   2HB   LYS   9          1HB       LYS   9  -1.739  -1.739 -10.032
   66   1HG   LYS   9          2HG       LYS   9  -0.319  -0.467 -11.257
   67   2HG   LYS   9          1HG       LYS   9  -0.891   0.941 -10.383
   68   1HD   LYS   9          2HD       LYS   9   0.849   0.515  -8.620
   69   2HD   LYS   9          1HD       LYS   9   1.445  -0.837  -9.567
   70   1HE   LYS   9          2HE       LYS   9   1.782   0.799 -11.505
   71   2HE   LYS   9          1HE       LYS   9   1.431   2.096 -10.370
   72   1HZ   LYS   9          2HZ       LYS   9   3.233   1.066  -8.953
   73   2HZ   LYS   9          1HZ       LYS   9   3.676   0.194 -10.341
   74   3HZ   LYS   9          3HZ       LYS   9   3.720   1.892 -10.356
   75    H    CYS  10           H        CYS  10  -4.735   0.728  -8.183
   76    HA   CYS  10           HA       CYS  10  -5.854   0.684 -10.874
   77   1HB   CYS  10          2HB       CYS  10  -6.916   1.692  -8.231
   78   2HB   CYS  10          1HB       CYS  10  -7.847   1.692  -9.704
   79    H    LYS  11           H        LYS  11  -3.877   2.160 -11.316
   80    HA   LYS  11           HA       LYS  11  -4.830   4.989 -11.485
   81   1HB   LYS  11          2HB       LYS  11  -1.944   4.045 -11.095
   82   2HB   LYS  11          1HB       LYS  11  -2.474   5.714 -11.230
   83   1HG   LYS  11          2HG       LYS  11  -3.950   5.276  -9.159
   84   2HG   LYS  11          1HG       LYS  11  -3.092   3.757  -8.975
   85   1HD   LYS  11          2HD       LYS  11  -0.984   4.856  -8.621
   86   2HD   LYS  11          1HD       LYS  11  -1.600   6.401  -9.179
   87   1HE   LYS  11          2HE       LYS  11  -3.211   6.370  -7.194
   88   2HE   LYS  11          1HE       LYS  11  -2.338   4.963  -6.598
   89   1HZ   LYS  11          2HZ       LYS  11  -0.338   6.652  -7.113
   90   2HZ   LYS  11          1HZ       LYS  11  -1.561   7.735  -6.652
   91   3HZ   LYS  11          3HZ       LYS  11  -1.093   6.488  -5.600
   92    H    ASP  12           H        ASP  12  -3.375   2.197 -12.839
   93    HA   ASP  12           HA       ASP  12  -2.486   3.333 -15.337
   94   1HB   ASP  12          2HB       ASP  12  -2.919   0.515 -14.301
   95   2HB   ASP  12          1HB       ASP  12  -2.497   0.809 -15.965
   96    H    ARG  13           H        ARG  13  -3.431   3.215 -17.343
   97    HA   ARG  13           HA       ARG  13  -6.293   3.424 -17.489
   98   1HB   ARG  13          2HB       ARG  13  -4.059   3.211 -19.532
   99   2HB   ARG  13          1HB       ARG  13  -5.729   3.179 -20.068
  100   1HG   ARG  13          2HG       ARG  13  -6.077   5.332 -18.708
  101   2HG   ARG  13          1HG       ARG  13  -4.336   5.393 -18.510
  102   1HD   ARG  13          2HD       ARG  13  -3.965   5.687 -20.857
  103   2HD   ARG  13          1HD       ARG  13  -5.599   5.179 -21.275
  104    HE   ARG  13           HE       ARG  13  -4.818   7.816 -20.183
  105   1HH1  ARG  13          2HH1      ARG  13  -7.364   6.723 -18.950
  106   2HH1  ARG  13          1HH1      ARG  13  -8.571   7.386 -20.002
  107   1HH2  ARG  13          1HH2      ARG  13  -6.249   8.180 -22.500
  108   2HH2  ARG  13          2HH2      ARG  13  -7.923   8.231 -22.059
  109    H    ARG  14           H        ARG  14  -4.215   0.805 -17.378
  110    HA   ARG  14           HA       ARG  14  -5.706  -1.144 -18.861
  111   1HB   ARG  14          2HB       ARG  14  -3.575  -1.478 -16.718
  112   2HB   ARG  14          1HB       ARG  14  -4.108  -2.741 -17.802
  113   1HG   ARG  14          2HG       ARG  14  -2.477  -2.078 -19.250
  114   2HG   ARG  14          1HG       ARG  14  -3.429  -0.643 -19.567
  115   1HD   ARG  14          2HD       ARG  14  -2.193   0.682 -18.037
  116   2HD   ARG  14          1HD       ARG  14  -1.555  -0.724 -17.181
  117    HE   ARG  14           HE       ARG  14  -0.274  -1.192 -19.354
  118   1HH1  ARG  14          2HH1      ARG  14  -0.343   0.481 -21.308
  119   2HH1  ARG  14          1HH1      ARG  14   0.481   1.949 -20.886
  120   1HH2  ARG  14          1HH2      ARG  14   0.352   1.300 -17.461
  121   2HH2  ARG  14          2HH2      ARG  14   0.894   2.407 -18.670
  122    H    CYS  15           H        CYS  15  -5.862   0.164 -15.688
  123    HA   CYS  15           HA       CYS  15  -7.465  -2.032 -14.563
  124   1HB   CYS  15          2HB       CYS  15  -7.070   0.486 -13.057
  125   2HB   CYS  15          1HB       CYS  15  -6.972  -1.177 -12.544
  126    H    LYS  16           H        LYS  16  -7.904   1.119 -15.887
  127    HA   LYS  16           HA       LYS  16 -10.304   1.972 -14.773
  128   1HB   LYS  16          2HB       LYS  16  -9.071   2.265 -17.510
  129   2HB   LYS  16          1HB       LYS  16 -10.731   2.773 -17.332
  130   1HG   LYS  16          2HG       LYS  16  -8.687   3.687 -15.292
  131   2HG   LYS  16          1HG       LYS  16  -8.726   4.456 -16.865
  132   1HD   LYS  16          2HD       LYS  16 -11.197   4.909 -16.528
  133   2HD   LYS  16          1HD       LYS  16 -11.053   4.272 -14.902
  134   1HE   LYS  16          2HE       LYS  16 -10.273   6.271 -14.153
  135   2HE   LYS  16          1HE       LYS  16  -8.951   6.243 -15.306
  136   1HZ   LYS  16          1HZ       LYS  16 -10.462   7.126 -16.980
  137   2HZ   LYS  16          3HZ       LYS  16 -11.700   7.212 -15.818
  138   3HZ   LYS  16          2HZ       LYS  16 -10.301   8.159 -15.642
  139    HA   HYP  17           HA       HYP  17 -12.902  -0.908 -17.495
  140   1HB   HYP  17          1HB       HYP  17 -12.076  -1.588 -19.542
  141   2HB   HYP  17          2HB       HYP  17 -11.528  -3.045 -18.737
  142   1HD   HYP  17          1HD1      HYP  17  -9.115   0.224 -17.882
  143   2HD   HYP  17          2HD1      HYP  17  -9.018  -1.308 -16.999
  144    HOD  HYP  17           HD2      HYP  17  -9.214   0.012 -19.775
  145    HG   HYP  17           HG       HYP  17  -9.337  -2.309 -19.138
  146    H    MET  18           H        MET  18 -10.168  -2.398 -15.869
  147    HA   MET  18           HA       MET  18 -11.216  -4.847 -15.051
  148   1HB   MET  18          2HB       MET  18  -9.285  -2.977 -13.652
  149   2HB   MET  18          1HB       MET  18  -9.680  -4.556 -13.025
  150   1HG   MET  18          2HG       MET  18  -8.634  -4.017 -15.805
  151   2HG   MET  18          1HG       MET  18  -7.698  -4.561 -14.453
  152   1HE   MET  18          3HE       MET  18  -7.259  -6.820 -13.777
  153   2HE   MET  18          2HE       MET  18  -8.877  -6.851 -13.034
  154   3HE   MET  18          1HE       MET  18  -8.327  -8.186 -14.034
  155    H    LYS  19           H        LYS  19 -12.720  -5.488 -13.836
  156    HA   LYS  19           HA       LYS  19 -14.641  -3.869 -12.534
  157   1HB   LYS  19          2HB       LYS  19 -15.410  -6.063 -11.492
  158   2HB   LYS  19          1HB       LYS  19 -15.278  -6.068 -13.237
  159   1HG   LYS  19          2HG       LYS  19 -13.128  -7.256 -13.142
  160   2HG   LYS  19          1HG       LYS  19 -13.052  -7.072 -11.403
  161   1HD   LYS  19          2HD       LYS  19 -13.814  -9.269 -11.620
  162   2HD   LYS  19          1HD       LYS  19 -15.313  -8.402 -11.364
  163   1HE   LYS  19          2HE       LYS  19 -15.679  -8.352 -13.851
  164   2HE   LYS  19          1HE       LYS  19 -14.181  -9.246 -14.072
  165   1HZ   LYS  19          2HZ       LYS  19 -16.413 -10.232 -12.408
  166   2HZ   LYS  19          1HZ       LYS  19 -16.251 -10.591 -14.059
  167   3HZ   LYS  19          3HZ       LYS  19 -15.060 -11.098 -12.960
  168    H    CYS  20           H        CYS  20 -11.697  -5.238 -11.219
  169    HA   CYS  20           HA       CYS  20 -12.343  -5.088  -8.472
  170   1HB   CYS  20          2HB       CYS  20 -10.095  -5.457  -8.060
  171   2HB   CYS  20          1HB       CYS  20 -10.302  -6.147  -9.639
  172    H    CYS  21           H        CYS  21 -11.302  -2.646 -10.723
  173    HA   CYS  21           HA       CYS  21 -11.035  -0.600  -8.576
  174   1HB   CYS  21          2HB       CYS  21 -10.521  -0.276 -11.535
  175   2HB   CYS  21          1HB       CYS  21  -9.999   0.770 -10.246
  176    H    ALA  22           H        ALA  22 -12.723  -1.196 -11.631
  177    HA   ALA  22           HA       ALA  22 -14.368   1.134 -11.578
  178   1HB   ALA  22          3HB       ALA  22 -14.785  -1.551 -12.958
  179   2HB   ALA  22          2HB       ALA  22 -15.688  -0.086 -13.317
  180   3HB   ALA  22          1HB       ALA  22 -13.964  -0.157 -13.639
   
  No H/Q in entry =         180
  Start of MODEL   17
    1   1H    ARG   1          1H        ARG   1   4.235  -8.920 -11.632
    2   2H    ARG   1          3H        ARG   1   4.873  -7.785 -12.724
    3   3H    ARG   1          2H        ARG   1   5.587  -7.988 -11.196
    4    HA   ARG   1           HA       ARG   1   3.800  -7.026 -10.083
    5   1HB   ARG   1          2HB       ARG   1   4.568  -5.566 -12.641
    6   2HB   ARG   1          1HB       ARG   1   3.461  -4.826 -11.499
    7   1HG   ARG   1          2HG       ARG   1   5.252  -5.281  -9.685
    8   2HG   ARG   1          1HG       ARG   1   6.344  -5.661 -11.004
    9   1HD   ARG   1          2HD       ARG   1   6.657  -3.315 -10.452
   10   2HD   ARG   1          1HD       ARG   1   5.797  -3.356 -11.988
   11    HE   ARG   1           HE       ARG   1   3.776  -3.281 -10.080
   12   1HH1  ARG   1          1HH2      ARG   1   6.345  -1.744  -8.970
   13   2HH1  ARG   1          2HH2      ARG   1   5.803  -0.117  -9.219
   14   1HH2  ARG   1          1HH1      ARG   1   3.120  -1.103 -11.244
   15   2HH2  ARG   1          2HH1      ARG   1   3.936   0.254 -10.540
   16    H    ASP   2           H        ASP   2   1.752  -5.818 -10.317
   17    HA   ASP   2           HA       ASP   2  -0.110  -6.614 -12.428
   18   1HB   ASP   2          2HB       ASP   2   0.014  -8.576 -10.697
   19   2HB   ASP   2          1HB       ASP   2  -0.729  -7.465  -9.564
   20    H    CYS   3           H        CYS   3  -2.336  -5.748 -11.854
   21    HA   CYS   3           HA       CYS   3  -1.996  -3.027 -10.713
   22   1HB   CYS   3          2HB       CYS   3  -3.797  -4.251 -12.754
   23   2HB   CYS   3          1HB       CYS   3  -4.412  -2.897 -11.852
   24    H    CYS   4           H        CYS   4  -4.132  -5.841 -10.474
   25    HA   CYS   4           HA       CYS   4  -5.751  -4.604  -8.386
   26   1HB   CYS   4          2HB       CYS   4  -5.631  -7.427  -9.432
   27   2HB   CYS   4          1HB       CYS   4  -6.802  -6.833  -8.285
   28    H    THR   5           H        THR   5  -2.775  -6.217  -8.418
   29    HA   THR   5           HA       THR   5  -2.857  -7.720  -6.036
   30    HB   THR   5           HB       THR   5  -0.896  -7.885  -7.515
   31    HG1  THR   5           HG1      THR   5  -0.588  -6.910  -4.899
   32   1HG2  THR   5          2HG2      THR   5  -0.924  -5.236  -7.995
   33   2HG2  THR   5          1HG2      THR   5   0.075  -5.159  -6.553
   34   3HG2  THR   5          3HG2      THR   5   0.614  -6.080  -7.947
   35    HA   HYP   6           HA       HYP   6  -3.667  -4.404  -3.222
   36   1HB   HYP   6          1HB       HYP   6  -4.497  -5.641  -1.522
   37   2HB   HYP   6          2HB       HYP   6  -2.884  -5.771  -0.845
   38   1HD   HYP   6          1HD1      HYP   6  -3.848  -7.924  -4.222
   39   2HD   HYP   6          2HD1      HYP   6  -2.135  -8.097  -3.794
   40    HOD  HYP   6           HD2      HYP   6  -4.950  -8.038  -1.122
   41    HG   HYP   6           HG       HYP   6  -2.750  -8.022  -1.505
   42    HA   HYP   7           HA       HYP   7  -3.596  -2.621  -2.214
   43   1HB   HYP   7          1HB       HYP   7  -2.990  -0.738  -1.112
   44   2HB   HYP   7          2HB       HYP   7  -2.378  -0.077  -2.619
   45   1HD   HYP   7          1HD1      HYP   7   0.042  -3.021  -1.004
   46   2HD   HYP   7          2HD1      HYP   7   0.399  -2.415  -2.625
   47    HOD  HYP   7           HD2      HYP   7  -0.290  -0.487   0.318
   48    HG   HYP   7           HG       HYP   7  -0.177  -0.303  -1.767
   49    H    ARG   8           H        ARG   8  -4.850  -2.097  -3.986
   50    HA   ARG   8           HA       ARG   8  -4.089  -2.712  -6.576
   51   1HB   ARG   8          2HB       ARG   8  -6.264  -0.825  -5.601
   52   2HB   ARG   8          1HB       ARG   8  -6.142  -1.403  -7.250
   53   1HG   ARG   8          2HG       ARG   8  -6.067  -3.799  -6.140
   54   2HG   ARG   8          1HG       ARG   8  -6.733  -2.987  -4.741
   55   1HD   ARG   8          2HD       ARG   8  -8.214  -2.190  -7.157
   56   2HD   ARG   8          1HD       ARG   8  -8.145  -3.940  -7.016
   57    HE   ARG   8           HE       ARG   8  -9.371  -3.819  -4.983
   58   1HH1  ARG   8          1HH2      ARG   8  -7.825  -1.117  -4.394
   59   2HH1  ARG   8          2HH2      ARG   8  -9.186  -0.063  -4.188
   60   1HH2  ARG   8          2HH1      ARG   8 -11.445  -2.361  -5.546
   61   2HH2  ARG   8          1HH1      ARG   8 -11.277  -0.783  -4.852
   62    H    LYS   9           H        LYS   9  -4.105  -1.348  -8.466
   63    HA   LYS   9           HA       LYS   9  -2.443   1.109  -8.147
   64   1HB   LYS   9          2HB       LYS   9  -1.374  -0.883  -9.224
   65   2HB   LYS   9          1HB       LYS   9  -2.609  -0.876 -10.463
   66   1HG   LYS   9          2HG       LYS   9  -1.874   1.341 -11.241
   67   2HG   LYS   9          1HG       LYS   9  -0.707   1.446  -9.933
   68   1HD   LYS   9          2HD       LYS   9   0.411  -0.636 -10.823
   69   2HD   LYS   9          1HD       LYS   9  -0.707  -0.632 -12.171
   70   1HE   LYS   9          2HE       LYS   9   1.198   0.490 -13.030
   71   2HE   LYS   9          1HE       LYS   9   0.142   1.823 -12.579
   72   1HZ   LYS   9          3HZ       LYS   9   2.126   0.723 -10.698
   73   2HZ   LYS   9          2HZ       LYS   9   2.538   1.916 -11.835
   74   3HZ   LYS   9          1HZ       LYS   9   1.348   2.232 -10.664
   75    H    CYS  10           H        CYS  10  -4.410  -0.261 -10.728
   76    HA   CYS  10           HA       CYS  10  -5.963   0.643 -12.174
   77   1HB   CYS  10          2HB       CYS  10  -6.894   2.190  -9.775
   78   2HB   CYS  10          1HB       CYS  10  -7.874   1.572 -11.080
   79    H    LYS  11           H        LYS  11  -3.490   2.340 -11.502
   80    HA   LYS  11           HA       LYS  11  -4.325   5.084 -12.055
   81   1HB   LYS  11          2HB       LYS  11  -2.150   4.024 -10.799
   82   2HB   LYS  11          1HB       LYS  11  -1.466   4.203 -12.402
   83   1HG   LYS  11          2HG       LYS  11  -2.223   6.626 -12.376
   84   2HG   LYS  11          1HG       LYS  11  -2.736   6.395 -10.711
   85   1HD   LYS  11          2HD       LYS  11  -0.280   5.529 -10.315
   86   2HD   LYS  11          1HD       LYS  11   0.077   6.288 -11.856
   87   1HE   LYS  11          2HE       LYS  11  -0.847   8.460 -10.941
   88   2HE   LYS  11          1HE       LYS  11  -1.052   7.667  -9.383
   89   1HZ   LYS  11          1HZ       LYS  11   1.478   7.060  -9.943
   90   2HZ   LYS  11          3HZ       LYS  11   1.352   8.577 -10.694
   91   3HZ   LYS  11          2HZ       LYS  11   1.000   8.417  -9.040
   92    H    ASP  12           H        ASP  12  -3.517   2.305 -13.770
   93    HA   ASP  12           HA       ASP  12  -2.805   3.572 -16.307
   94   1HB   ASP  12          2HB       ASP  12  -3.489   0.639 -16.140
   95   2HB   ASP  12          1HB       ASP  12  -2.187   1.435 -16.990
   96    H    ARG  13           H        ARG  13  -4.127   3.763 -18.050
   97    HA   ARG  13           HA       ARG  13  -6.951   3.927 -17.662
   98   1HB   ARG  13          2HB       ARG  13  -5.518   5.134 -19.421
   99   2HB   ARG  13          1HB       ARG  13  -5.537   3.647 -20.346
  100   1HG   ARG  13          2HG       ARG  13  -7.794   3.822 -20.886
  101   2HG   ARG  13          1HG       ARG  13  -8.218   4.642 -19.397
  102   1HD   ARG  13          2HD       ARG  13  -6.613   5.972 -21.622
  103   2HD   ARG  13          1HD       ARG  13  -8.360   6.127 -21.439
  104    HE   ARG  13           HE       ARG  13  -7.144   6.774 -18.947
  105   1HH1  ARG  13          2HH1      ARG  13  -5.205   8.190 -20.589
  106   2HH1  ARG  13          1HH1      ARG  13  -5.960   9.720 -20.896
  107   1HH2  ARG  13          1HH2      ARG  13  -9.139   8.547 -19.996
  108   2HH2  ARG  13          2HH2      ARG  13  -8.250   9.926 -20.550
  109    H    ARG  14           H        ARG  14  -4.854   1.397 -18.689
  110    HA   ARG  14           HA       ARG  14  -6.849  -0.337 -19.821
  111   1HB   ARG  14          2HB       ARG  14  -4.203  -0.272 -20.118
  112   2HB   ARG  14          1HB       ARG  14  -4.199  -1.294 -18.702
  113   1HG   ARG  14          2HG       ARG  14  -4.257  -2.880 -20.436
  114   2HG   ARG  14          1HG       ARG  14  -5.952  -2.759 -20.016
  115   1HD   ARG  14          2HD       ARG  14  -5.734  -2.646 -22.460
  116   2HD   ARG  14          1HD       ARG  14  -6.235  -1.060 -21.888
  117    HE   ARG  14           HE       ARG  14  -4.006  -0.231 -22.311
  118   1HH1  ARG  14          2HH1      ARG  14  -2.341  -2.537 -21.693
  119   2HH1  ARG  14          1HH1      ARG  14  -1.859  -3.125 -23.250
  120   1HH2  ARG  14          1HH2      ARG  14  -4.386  -1.364 -24.918
  121   2HH2  ARG  14          2HH2      ARG  14  -3.047  -2.443 -25.124
  122    H    CYS  15           H        CYS  15  -5.445   0.204 -16.706
  123    HA   CYS  15           HA       CYS  15  -6.839  -2.079 -15.434
  124   1HB   CYS  15          2HB       CYS  15  -4.812  -0.049 -14.481
  125   2HB   CYS  15          1HB       CYS  15  -5.502  -1.270 -13.452
  126    H    LYS  16           H        LYS  16  -7.837   0.820 -16.357
  127    HA   LYS  16           HA       LYS  16  -9.025   1.827 -13.899
  128   1HB   LYS  16          2HB       LYS  16  -8.393   3.029 -16.234
  129   2HB   LYS  16          1HB       LYS  16 -10.074   2.690 -16.596
  130   1HG   LYS  16          2HG       LYS  16 -10.734   3.804 -14.454
  131   2HG   LYS  16          1HG       LYS  16  -9.055   4.220 -14.172
  132   1HD   LYS  16          2HD       LYS  16 -10.397   4.988 -16.793
  133   2HD   LYS  16          1HD       LYS  16 -10.651   5.964 -15.363
  134   1HE   LYS  16          2HE       LYS  16  -8.409   6.650 -15.248
  135   2HE   LYS  16          1HE       LYS  16  -7.810   5.255 -16.131
  136   1HZ   LYS  16          3HZ       LYS  16  -9.006   6.158 -18.102
  137   2HZ   LYS  16          2HZ       LYS  16  -9.281   7.578 -17.212
  138   3HZ   LYS  16          1HZ       LYS  16  -7.692   7.088 -17.563
  139    HA   HYP  17           HA       HYP  17 -13.077   0.133 -15.729
  140   1HB   HYP  17          1HB       HYP  17 -13.334  -0.120 -17.998
  141   2HB   HYP  17          2HB       HYP  17 -12.781  -1.775 -17.833
  142   1HD   HYP  17          1HD1      HYP  17  -9.639   0.880 -17.461
  143   2HD   HYP  17          2HD1      HYP  17  -9.480  -0.837 -17.084
  144    HOD  HYP  17           HD2      HYP  17 -11.725   1.501 -18.330
  145    HG   HYP  17           HG       HYP  17 -10.877  -1.123 -19.022
  146    H    MET  18           H        MET  18 -10.352  -1.799 -15.259
  147    HA   MET  18           HA       MET  18 -11.098  -4.396 -14.942
  148   1HB   MET  18          2HB       MET  18  -9.151  -2.591 -13.623
  149   2HB   MET  18          1HB       MET  18  -9.531  -4.001 -12.660
  150   1HG   MET  18          2HG       MET  18  -8.972  -4.452 -15.564
  151   2HG   MET  18          1HG       MET  18  -7.645  -3.966 -14.558
  152   1HE   MET  18          1HE       MET  18  -9.685  -6.730 -15.946
  153   2HE   MET  18          3HE       MET  18  -9.684  -8.003 -14.743
  154   3HE   MET  18          2HE       MET  18 -10.666  -6.576 -14.469
  155    H    LYS  19           H        LYS  19 -12.147  -5.678 -13.632
  156    HA   LYS  19           HA       LYS  19 -14.388  -4.825 -12.171
  157   1HB   LYS  19          2HB       LYS  19 -14.387  -7.191 -11.249
  158   2HB   LYS  19          1HB       LYS  19 -14.307  -7.067 -12.990
  159   1HG   LYS  19          2HG       LYS  19 -11.576  -7.096 -12.159
  160   2HG   LYS  19          1HG       LYS  19 -12.367  -8.253 -11.114
  161   1HD   LYS  19          2HD       LYS  19 -12.683  -8.249 -14.147
  162   2HD   LYS  19          1HD       LYS  19 -11.455  -9.178 -13.311
  163   1HE   LYS  19          2HE       LYS  19 -13.199 -10.407 -12.049
  164   2HE   LYS  19          1HE       LYS  19 -14.457  -9.465 -12.841
  165   1HZ   LYS  19          3HZ       LYS  19 -12.495 -11.164 -14.261
  166   2HZ   LYS  19          2HZ       LYS  19 -14.079 -11.637 -13.862
  167   3HZ   LYS  19          1HZ       LYS  19 -13.821 -10.349 -14.941
  168    H    CYS  20           H        CYS  20 -11.164  -5.698 -10.939
  169    HA   CYS  20           HA       CYS  20 -11.834  -5.437  -8.187
  170   1HB   CYS  20          2HB       CYS  20  -9.519  -5.602  -7.775
  171   2HB   CYS  20          1HB       CYS  20  -9.778  -6.547  -9.207
  172    H    CYS  21           H        CYS  21 -10.863  -3.244 -10.668
  173    HA   CYS  21           HA       CYS  21 -10.606  -0.923  -8.856
  174   1HB   CYS  21          2HB       CYS  21 -10.300  -1.165 -11.860
  175   2HB   CYS  21          1HB       CYS  21  -9.918   0.253 -10.924
  176    H    ALA  22           H        ALA  22 -13.177  -2.430  -9.679
  177    HA   ALA  22           HA       ALA  22 -14.811   0.006 -10.147
  178   1HB   ALA  22          2HB       ALA  22 -15.012  -2.605 -11.706
  179   2HB   ALA  22          1HB       ALA  22 -16.218  -1.330 -11.776
  180   3HB   ALA  22          3HB       ALA  22 -14.586  -1.025 -12.347
   
  No H/Q in entry =         180
  Start of MODEL   18
    1   1H    ARG   1          3H        ARG   1  -2.789 -10.191 -12.303
    2   2H    ARG   1          2H        ARG   1  -3.701 -10.125 -13.736
    3   3H    ARG   1          1H        ARG   1  -2.073 -10.609 -13.787
    4    HA   ARG   1           HA       ARG   1  -1.874  -8.473 -14.488
    5   1HB   ARG   1          2HB       ARG   1  -3.300  -6.624 -13.648
    6   2HB   ARG   1          1HB       ARG   1  -4.282  -7.940 -14.228
    7   1HG   ARG   1          2HG       ARG   1  -3.678  -8.272 -11.347
    8   2HG   ARG   1          1HG       ARG   1  -4.391  -6.711 -11.678
    9   1HD   ARG   1          2HD       ARG   1  -6.164  -8.374 -11.208
   10   2HD   ARG   1          1HD       ARG   1  -6.283  -7.840 -12.877
   11    HE   ARG   1           HE       ARG   1  -4.778 -10.332 -12.225
   12   1HH1  ARG   1          1HH1      ARG   1  -5.487  -9.182 -14.991
   13   2HH1  ARG   1          2HH1      ARG   1  -6.769 -10.244 -15.464
   14   1HH2  ARG   1          1HH2      ARG   1  -7.221 -11.468 -12.211
   15   2HH2  ARG   1          2HH2      ARG   1  -7.777 -11.573 -13.848
   16    H    ASP   2           H        ASP   2  -1.400  -6.295 -13.122
   17    HA   ASP   2           HA       ASP   2   0.142  -7.007 -10.668
   18   1HB   ASP   2          2HB       ASP   2   2.057  -5.702 -11.531
   19   2HB   ASP   2          1HB       ASP   2   1.651  -6.957 -12.689
   20    H    CYS   3           H        CYS   3  -2.208  -5.202 -12.010
   21    HA   CYS   3           HA       CYS   3  -1.684  -2.684 -10.546
   22   1HB   CYS   3          2HB       CYS   3  -3.645  -3.601 -12.596
   23   2HB   CYS   3          1HB       CYS   3  -4.130  -2.305 -11.549
   24    H    CYS   4           H        CYS   4  -4.097  -5.264 -10.621
   25    HA   CYS   4           HA       CYS   4  -5.495  -4.212  -8.297
   26   1HB   CYS   4          2HB       CYS   4  -5.703  -6.818  -9.791
   27   2HB   CYS   4          1HB       CYS   4  -6.768  -6.364  -8.499
   28    H    THR   5           H        THR   5  -2.634  -5.882  -8.574
   29    HA   THR   5           HA       THR   5  -2.888  -7.782  -6.440
   30    HB   THR   5           HB       THR   5  -0.980  -7.891  -8.094
   31    HG1  THR   5           HG1      THR   5  -0.853  -7.888  -5.377
   32   1HG2  THR   5          2HG2      THR   5  -0.616  -5.198  -7.841
   33   2HG2  THR   5          1HG2      THR   5   0.468  -5.717  -6.559
   34   3HG2  THR   5          3HG2      THR   5   0.728  -6.262  -8.209
   35    HA   HYP   6           HA       HYP   6  -3.610  -4.670  -3.467
   36   1HB   HYP   6          1HB       HYP   6  -4.485  -5.902  -1.789
   37   2HB   HYP   6          2HB       HYP   6  -2.879  -6.179  -1.134
   38   1HD   HYP   6          1HD1      HYP   6  -3.854  -8.094  -4.647
   39   2HD   HYP   6          2HD1      HYP   6  -2.189  -8.391  -4.114
   40    HOD  HYP   6           HD2      HYP   6  -4.965  -8.968  -2.162
   41    HG   HYP   6           HG       HYP   6  -2.953  -8.405  -1.887
   42    HA   HYP   7           HA       HYP   7  -3.579  -2.944  -2.279
   43   1HB   HYP   7          1HB       HYP   7  -2.996  -1.084  -1.134
   44   2HB   HYP   7          2HB       HYP   7  -2.370  -0.371  -2.612
   45   1HD   HYP   7          1HD1      HYP   7   0.109  -3.365  -1.191
   46   2HD   HYP   7          2HD1      HYP   7   0.377  -2.641  -2.782
   47    HOD  HYP   7           HD2      HYP   7  -0.119  -1.912   0.276
   48    HG   HYP   7           HG       HYP   7  -0.191  -0.613  -1.696
   49    H    ARG   8           H        ARG   8  -4.892  -2.121  -3.901
   50    HA   ARG   8           HA       ARG   8  -4.274  -2.668  -6.583
   51   1HB   ARG   8          2HB       ARG   8  -6.373  -0.816  -5.405
   52   2HB   ARG   8          1HB       ARG   8  -6.335  -1.310  -7.086
   53   1HG   ARG   8          2HG       ARG   8  -6.439  -3.731  -6.312
   54   2HG   ARG   8          1HG       ARG   8  -6.661  -3.139  -4.674
   55   1HD   ARG   8          2HD       ARG   8  -8.676  -1.833  -5.486
   56   2HD   ARG   8          1HD       ARG   8  -8.502  -2.625  -7.049
   57    HE   ARG   8           HE       ARG   8  -8.616  -4.798  -5.496
   58   1HH1  ARG   8          1HH1      ARG   8 -11.371  -2.883  -3.602
   59   2HH1  ARG   8          2HH1      ARG   8  -9.684  -2.491  -3.584
   60   1HH2  ARG   8          1HH2      ARG   8 -11.038  -5.065  -6.321
   61   2HH2  ARG   8          2HH2      ARG   8 -12.155  -4.375  -5.193
   62    H    LYS   9           H        LYS   9  -4.169  -1.222  -8.404
   63    HA   LYS   9           HA       LYS   9  -2.600   1.263  -7.866
   64   1HB   LYS   9          2HB       LYS   9  -1.384  -0.549  -9.090
   65   2HB   LYS   9          1HB       LYS   9  -2.648  -0.581 -10.296
   66   1HG   LYS   9          2HG       LYS   9  -1.230   0.847 -11.412
   67   2HG   LYS   9          1HG       LYS   9  -2.043   2.062 -10.454
   68   1HD   LYS   9          2HD       LYS   9  -0.219   1.716  -8.675
   69   2HD   LYS   9          1HD       LYS   9   0.640   0.761  -9.874
   70   1HE   LYS   9          2HE       LYS   9   0.426   2.783 -11.454
   71   2HE   LYS   9          1HE       LYS   9  -0.139   3.689 -10.056
   72   1HZ   LYS   9          1HZ       LYS   9   2.416   2.209 -10.070
   73   2HZ   LYS   9          3HZ       LYS   9   2.283   3.829 -10.561
   74   3HZ   LYS   9          2HZ       LYS   9   1.892   3.391  -8.967
   75    H    CYS  10           H        CYS  10  -4.665  -0.113 -10.369
   76    HA   CYS  10           HA       CYS  10  -6.282   0.777 -11.762
   77   1HB   CYS  10          2HB       CYS  10  -6.914   2.512  -9.379
   78   2HB   CYS  10          1HB       CYS  10  -8.022   2.030 -10.636
   79    H    LYS  11           H        LYS  11  -3.653   2.240 -11.536
   80    HA   LYS  11           HA       LYS  11  -4.332   5.031 -12.162
   81   1HB   LYS  11          2HB       LYS  11  -2.242   4.266 -10.898
   82   2HB   LYS  11          1HB       LYS  11  -1.635   3.642 -12.422
   83   1HG   LYS  11          2HG       LYS  11  -1.779   5.931 -13.411
   84   2HG   LYS  11          1HG       LYS  11  -2.437   6.544 -11.901
   85   1HD   LYS  11          2HD       LYS  11  -0.322   5.752 -10.743
   86   2HD   LYS  11          1HD       LYS  11   0.327   5.329 -12.318
   87   1HE   LYS  11          2HE       LYS  11   0.093   7.705 -13.045
   88   2HE   LYS  11          1HE       LYS  11  -0.558   8.122 -11.464
   89   1HZ   LYS  11          1HZ       LYS  11   1.578   7.126 -10.562
   90   2HZ   LYS  11          3HZ       LYS  11   2.164   7.230 -12.153
   91   3HZ   LYS  11          2HZ       LYS  11   1.675   8.635 -11.335
   92    H    ASP  12           H        ASP  12  -3.204   2.142 -13.782
   93    HA   ASP  12           HA       ASP  12  -2.811   3.265 -16.379
   94   1HB   ASP  12          2HB       ASP  12  -2.417   0.743 -15.218
   95   2HB   ASP  12          1HB       ASP  12  -3.713   0.436 -16.353
   96    H    ARG  13           H        ARG  13  -4.117   3.392 -18.144
   97    HA   ARG  13           HA       ARG  13  -6.928   3.795 -17.666
   98   1HB   ARG  13          2HB       ARG  13  -5.324   4.807 -19.518
   99   2HB   ARG  13          1HB       ARG  13  -5.752   3.371 -20.430
  100   1HG   ARG  13          2HG       ARG  13  -8.154   3.941 -20.277
  101   2HG   ARG  13          1HG       ARG  13  -7.796   5.296 -19.222
  102   1HD   ARG  13          2HD       ARG  13  -8.129   6.158 -21.478
  103   2HD   ARG  13          1HD       ARG  13  -6.416   6.311 -21.098
  104    HE   ARG  13           HE       ARG  13  -7.484   3.998 -22.675
  105   1HH1  ARG  13          2HH1      ARG  13  -4.612   4.029 -21.913
  106   2HH1  ARG  13          1HH1      ARG  13  -3.862   4.730 -23.309
  107   1HH2  ARG  13          1HH2      ARG  13  -6.879   6.008 -24.546
  108   2HH2  ARG  13          2HH2      ARG  13  -5.177   5.879 -24.837
  109    H    ARG  14           H        ARG  14  -4.995   1.111 -18.518
  110    HA   ARG  14           HA       ARG  14  -7.187  -0.528 -19.526
  111   1HB   ARG  14          2HB       ARG  14  -4.234  -1.088 -19.010
  112   2HB   ARG  14          1HB       ARG  14  -5.333  -2.260 -19.719
  113   1HG   ARG  14          2HG       ARG  14  -5.770  -0.816 -21.629
  114   2HG   ARG  14          1HG       ARG  14  -4.892   0.511 -20.900
  115   1HD   ARG  14          2HD       ARG  14  -3.389  -2.071 -21.316
  116   2HD   ARG  14          1HD       ARG  14  -3.715  -1.043 -22.711
  117    HE   ARG  14           HE       ARG  14  -2.487   0.156 -20.283
  118   1HH1  ARG  14          1HH2      ARG  14  -2.810   1.708 -22.802
  119   2HH1  ARG  14          2HH2      ARG  14  -1.240   1.574 -23.516
  120   1HH2  ARG  14          2HH1      ARG  14  -0.290  -1.125 -21.505
  121   2HH2  ARG  14          1HH1      ARG  14   0.209  -0.057 -22.771
  122    H    CYS  15           H        CYS  15  -5.623   0.248 -16.617
  123    HA   CYS  15           HA       CYS  15  -6.540  -2.136 -15.120
  124   1HB   CYS  15          2HB       CYS  15  -4.835   0.261 -14.423
  125   2HB   CYS  15          1HB       CYS  15  -5.284  -0.963 -13.275
  126    H    LYS  16           H        LYS  16  -7.698   0.909 -15.921
  127    HA   LYS  16           HA       LYS  16  -9.116   1.467 -13.445
  128   1HB   LYS  16          2HB       LYS  16  -8.765   2.765 -16.095
  129   2HB   LYS  16          1HB       LYS  16 -10.371   2.997 -15.446
  130   1HG   LYS  16          2HG       LYS  16  -7.862   3.471 -13.810
  131   2HG   LYS  16          1HG       LYS  16  -8.550   4.719 -14.823
  132   1HD   LYS  16          2HD       LYS  16 -10.771   4.362 -13.553
  133   2HD   LYS  16          1HD       LYS  16  -9.886   3.319 -12.461
  134   1HE   LYS  16          2HE       LYS  16 -10.066   5.625 -11.559
  135   2HE   LYS  16          1HE       LYS  16  -8.390   5.172 -11.821
  136   1HZ   LYS  16          2HZ       LYS  16  -9.990   6.685 -13.801
  137   2HZ   LYS  16          1HZ       LYS  16  -9.034   7.425 -12.608
  138   3HZ   LYS  16          3HZ       LYS  16  -8.311   6.439 -13.790
  139    HA   HYP  17           HA       HYP  17 -12.933  -0.027 -15.969
  140   1HB   HYP  17          1HB       HYP  17 -12.911  -0.311 -18.253
  141   2HB   HYP  17          2HB       HYP  17 -12.157  -1.881 -18.045
  142   1HD   HYP  17          1HD1      HYP  17  -9.504   1.120 -17.159
  143   2HD   HYP  17          2HD1      HYP  17  -9.101  -0.582 -16.922
  144    HOD  HYP  17           HD2      HYP  17 -11.418   1.554 -18.274
  145    HG   HYP  17           HG       HYP  17 -10.245  -0.935 -18.981
  146    H    MET  18           H        MET  18 -10.215  -1.882 -15.254
  147    HA   MET  18           HA       MET  18 -11.106  -4.520 -15.028
  148   1HB   MET  18          2HB       MET  18  -9.056  -2.836 -13.631
  149   2HB   MET  18          1HB       MET  18  -9.468  -4.325 -12.816
  150   1HG   MET  18          2HG       MET  18  -9.139  -5.144 -15.454
  151   2HG   MET  18          1HG       MET  18  -7.950  -3.893 -15.287
  152   1HE   MET  18          3HE       MET  18  -6.405  -3.773 -13.204
  153   2HE   MET  18          2HE       MET  18  -5.405  -5.162 -12.878
  154   3HE   MET  18          1HE       MET  18  -5.463  -4.510 -14.517
  155    H    LYS  19           H        LYS  19 -12.117  -5.738 -13.499
  156    HA   LYS  19           HA       LYS  19 -14.323  -4.652 -12.146
  157   1HB   LYS  19          2HB       LYS  19 -12.838  -7.280 -11.954
  158   2HB   LYS  19          1HB       LYS  19 -14.146  -6.953 -10.830
  159   1HG   LYS  19          2HG       LYS  19 -15.665  -6.443 -12.756
  160   2HG   LYS  19          1HG       LYS  19 -14.369  -6.839 -13.870
  161   1HD   LYS  19          2HD       LYS  19 -14.297  -9.157 -12.955
  162   2HD   LYS  19          1HD       LYS  19 -15.561  -8.749 -11.810
  163   1HE   LYS  19          2HE       LYS  19 -16.566  -9.893 -13.742
  164   2HE   LYS  19          1HE       LYS  19 -17.098  -8.221 -13.737
  165   1HZ   LYS  19          2HZ       LYS  19 -14.735  -9.108 -15.269
  166   2HZ   LYS  19          1HZ       LYS  19 -16.305  -9.153 -15.913
  167   3HZ   LYS  19          3HZ       LYS  19 -15.623  -7.671 -15.437
  168    H    CYS  20           H        CYS  20 -11.157  -5.506 -10.773
  169    HA   CYS  20           HA       CYS  20 -11.810  -4.937  -8.085
  170   1HB   CYS  20          2HB       CYS  20  -9.570  -5.251  -7.650
  171   2HB   CYS  20          1HB       CYS  20  -9.670  -5.992  -9.214
  172    H    CYS  21           H        CYS  21 -11.168  -2.912 -10.749
  173    HA   CYS  21           HA       CYS  21 -11.116  -0.438  -9.070
  174   1HB   CYS  21          2HB       CYS  21 -10.118  -0.823 -11.896
  175   2HB   CYS  21          1HB       CYS  21  -9.934   0.611 -10.928
  176    H    ALA  22           H        ALA  22 -13.415  -2.069 -10.195
  177    HA   ALA  22           HA       ALA  22 -14.665  -0.682 -12.327
  178   1HB   ALA  22          2HB       ALA  22 -15.803  -2.327 -10.045
  179   2HB   ALA  22          1HB       ALA  22 -16.797  -1.694 -11.346
  180   3HB   ALA  22          3HB       ALA  22 -15.512  -2.834 -11.704
   
  No H/Q in entry =         180
  Start of MODEL   19
    1   1H    ARG   1          2H        ARG   1   1.334  -9.823 -10.464
    2   2H    ARG   1          1H        ARG   1   2.159  -9.872  -8.975
    3   3H    ARG   1          3H        ARG   1   0.695  -9.015  -9.110
    4    HA   ARG   1           HA       ARG   1   2.338  -7.429  -9.076
    5   1HB   ARG   1          2HB       ARG   1   4.160  -9.137  -9.832
    6   2HB   ARG   1          1HB       ARG   1   3.635  -8.838 -11.472
    7   1HG   ARG   1          2HG       ARG   1   5.593  -7.440 -10.928
    8   2HG   ARG   1          1HG       ARG   1   4.213  -6.411 -11.217
    9   1HD   ARG   1          2HD       ARG   1   4.765  -7.282  -8.371
   10   2HD   ARG   1          1HD       ARG   1   5.767  -6.022  -9.082
   11    HE   ARG   1           HE       ARG   1   3.213  -5.183  -9.682
   12   1HH1  ARG   1          1HH1      ARG   1   1.694  -6.063  -7.619
   13   2HH1  ARG   1          2HH1      ARG   1   2.132  -5.153  -6.219
   14   1HH2  ARG   1          1HH2      ARG   1   5.168  -4.073  -7.576
   15   2HH2  ARG   1          2HH2      ARG   1   4.136  -4.002  -6.186
   16    H    ASP   2           H        ASP   2  -0.109  -7.496  -9.864
   17    HA   ASP   2           HA       ASP   2  -0.267  -6.108 -12.500
   18   1HB   ASP   2          2HB       ASP   2  -1.641  -8.432 -11.613
   19   2HB   ASP   2          1HB       ASP   2  -2.826  -7.148 -11.480
   20    H    CYS   3           H        CYS   3  -2.404  -4.693 -12.425
   21    HA   CYS   3           HA       CYS   3  -1.930  -2.641 -10.490
   22   1HB   CYS   3          2HB       CYS   3  -4.093  -3.205 -12.464
   23   2HB   CYS   3          1HB       CYS   3  -4.449  -2.044 -11.218
   24    H    CYS   4           H        CYS   4  -4.205  -5.330 -10.516
   25    HA   CYS   4           HA       CYS   4  -5.589  -4.409  -8.128
   26   1HB   CYS   4          2HB       CYS   4  -5.648  -7.125  -9.438
   27   2HB   CYS   4          1HB       CYS   4  -6.806  -6.479  -8.307
   28    H    THR   5           H        THR   5  -2.623  -5.956  -8.550
   29    HA   THR   5           HA       THR   5  -2.589  -7.838  -6.409
   30    HB   THR   5           HB       THR   5  -0.328  -6.229  -7.716
   31    HG1  THR   5           HG1      THR   5  -1.186  -8.939  -7.719
   32   1HG2  THR   5          1HG2      THR   5  -0.259  -8.523  -5.664
   33   2HG2  THR   5          3HG2      THR   5   1.102  -8.097  -6.691
   34   3HG2  THR   5          2HG2      THR   5   0.524  -6.960  -5.487
   35    HA   HYP   6           HA       HYP   6  -3.559  -4.503  -3.604
   36   1HB   HYP   6          1HB       HYP   6  -4.737  -5.456  -1.915
   37   2HB   HYP   6          2HB       HYP   6  -3.349  -6.365  -1.331
   38   1HD   HYP   6          1HD1      HYP   6  -3.989  -7.941  -4.996
   39   2HD   HYP   6          2HD1      HYP   6  -2.693  -8.347  -3.859
   40    HOD  HYP   6           HD2      HYP   6  -6.347  -7.271  -3.025
   41    HG   HYP   6           HG       HYP   6  -4.557  -8.211  -2.303
   42    HA   HYP   7           HA       HYP   7  -3.480  -2.834  -2.088
   43   1HB   HYP   7          1HB       HYP   7  -2.737  -0.954  -1.052
   44   2HB   HYP   7          2HB       HYP   7  -1.824  -0.482  -2.474
   45   1HD   HYP   7          1HD1      HYP   7  -0.072  -3.764  -0.723
   46   2HD   HYP   7          2HD1      HYP   7   0.511  -3.102  -2.255
   47    HOD  HYP   7           HD2      HYP   7  -0.199  -2.064   0.760
   48    HG   HYP   7           HG       HYP   7   0.131  -1.006  -1.219
   49    H    ARG   8           H        ARG   8  -4.669  -2.160  -3.769
   50    HA   ARG   8           HA       ARG   8  -3.887  -2.712  -6.411
   51   1HB   ARG   8          2HB       ARG   8  -6.188  -0.984  -5.419
   52   2HB   ARG   8          1HB       ARG   8  -6.067  -1.706  -7.014
   53   1HG   ARG   8          2HG       ARG   8  -5.724  -3.970  -5.612
   54   2HG   ARG   8          1HG       ARG   8  -6.516  -3.056  -4.344
   55   1HD   ARG   8          2HD       ARG   8  -8.470  -2.664  -5.808
   56   2HD   ARG   8          1HD       ARG   8  -7.657  -3.482  -7.137
   57    HE   ARG   8           HE       ARG   8  -8.086  -5.562  -6.094
   58   1HH1  ARG   8          1HH2      ARG   8  -7.423  -5.921  -3.540
   59   2HH1  ARG   8          2HH2      ARG   8  -8.790  -5.536  -2.554
   60   1HH2  ARG   8          2HH1      ARG   8 -10.428  -3.761  -5.073
   61   2HH2  ARG   8          1HH1      ARG   8 -10.524  -4.302  -3.430
   62    H    LYS   9           H        LYS   9  -4.190  -1.105  -8.237
   63    HA   LYS   9           HA       LYS   9  -2.729   1.445  -7.691
   64   1HB   LYS   9          2HB       LYS   9  -1.299  -0.254  -8.794
   65   2HB   LYS   9          1HB       LYS   9  -2.484  -0.445 -10.060
   66   1HG   LYS   9          2HG       LYS   9  -1.085   1.049 -11.129
   67   2HG   LYS   9          1HG       LYS   9  -2.150   2.192 -10.359
   68   1HD   LYS   9          2HD       LYS   9  -0.219   3.115  -9.554
   69   2HD   LYS   9          1HD       LYS   9  -0.343   1.869  -8.332
   70   1HE   LYS   9          2HE       LYS   9   1.895   1.727  -9.227
   71   2HE   LYS   9          1HE       LYS   9   1.026   0.360  -9.911
   72   1HZ   LYS   9          1HZ       LYS   9   0.601   1.744 -11.897
   73   2HZ   LYS   9          3HZ       LYS   9   1.573   2.960 -11.219
   74   3HZ   LYS   9          2HZ       LYS   9   2.248   1.454 -11.613
   75    H    CYS  10           H        CYS  10  -4.467  -0.018 -10.395
   76    HA   CYS  10           HA       CYS  10  -6.070   0.786 -11.862
   77   1HB   CYS  10          2HB       CYS  10  -6.948   2.423  -9.485
   78   2HB   CYS  10          1HB       CYS  10  -7.943   1.951 -10.838
   79    H    LYS  11           H        LYS  11  -3.554   2.314 -11.577
   80    HA   LYS  11           HA       LYS  11  -4.326   5.094 -12.213
   81   1HB   LYS  11          2HB       LYS  11  -2.333   4.262 -10.716
   82   2HB   LYS  11          1HB       LYS  11  -1.493   4.030 -12.234
   83   1HG   LYS  11          2HG       LYS  11  -1.592   6.359 -12.768
   84   2HG   LYS  11          1HG       LYS  11  -2.859   6.675 -11.597
   85   1HD   LYS  11          2HD       LYS  11  -0.151   5.639 -10.685
   86   2HD   LYS  11          1HD       LYS  11  -0.384   7.345 -11.009
   87   1HE   LYS  11          2HE       LYS  11  -2.049   7.569  -9.298
   88   2HE   LYS  11          1HE       LYS  11  -2.257   5.831  -9.146
   89   1HZ   LYS  11          2HZ       LYS  11   0.260   7.252  -8.517
   90   2HZ   LYS  11          1HZ       LYS  11  -0.928   6.849  -7.370
   91   3HZ   LYS  11          3HZ       LYS  11  -0.108   5.621  -8.212
   92    H    ASP  12           H        ASP  12  -3.971   2.290 -13.955
   93    HA   ASP  12           HA       ASP  12  -3.010   3.662 -16.416
   94   1HB   ASP  12          2HB       ASP  12  -3.289   0.724 -15.712
   95   2HB   ASP  12          1HB       ASP  12  -2.685   1.334 -17.235
   96    H    ARG  13           H        ARG  13  -4.197   3.589 -18.302
   97    HA   ARG  13           HA       ARG  13  -7.027   3.750 -18.093
   98   1HB   ARG  13          2HB       ARG  13  -5.057   3.594 -20.372
   99   2HB   ARG  13          1HB       ARG  13  -6.753   3.367 -20.752
  100   1HG   ARG  13          2HG       ARG  13  -7.256   5.534 -19.531
  101   2HG   ARG  13          1HG       ARG  13  -5.529   5.779 -19.351
  102   1HD   ARG  13          2HD       ARG  13  -6.927   5.414 -22.046
  103   2HD   ARG  13          1HD       ARG  13  -6.503   6.976 -21.361
  104    HE   ARG  13           HE       ARG  13  -4.650   5.057 -22.555
  105   1HH1  ARG  13          2HH1      ARG  13  -3.260   5.432 -20.108
  106   2HH1  ARG  13          1HH1      ARG  13  -2.420   6.936 -20.290
  107   1HH2  ARG  13          1HH2      ARG  13  -4.427   7.961 -22.972
  108   2HH2  ARG  13          2HH2      ARG  13  -3.099   8.406 -21.954
  109    H    ARG  14           H        ARG  14  -4.961   1.058 -18.635
  110    HA   ARG  14           HA       ARG  14  -7.016  -0.743 -19.600
  111   1HB   ARG  14          2HB       ARG  14  -4.599  -0.863 -20.274
  112   2HB   ARG  14          1HB       ARG  14  -4.188  -1.319 -18.637
  113   1HG   ARG  14          2HG       ARG  14  -6.305  -3.098 -19.595
  114   2HG   ARG  14          1HG       ARG  14  -5.054  -3.006 -20.811
  115   1HD   ARG  14          2HD       ARG  14  -4.514  -4.828 -19.264
  116   2HD   ARG  14          1HD       ARG  14  -3.329  -3.544 -19.048
  117    HE   ARG  14           HE       ARG  14  -5.354  -2.988 -17.200
  118   1HH1  ARG  14          2HH1      ARG  14  -5.446  -6.054 -17.255
  119   2HH1  ARG  14          1HH1      ARG  14  -4.374  -6.415 -15.939
  120   1HH2  ARG  14          1HH2      ARG  14  -3.004  -3.228 -15.817
  121   2HH2  ARG  14          2HH2      ARG  14  -3.015  -4.824 -15.131
  122    H    CYS  15           H        CYS  15  -5.686   0.179 -16.570
  123    HA   CYS  15           HA       CYS  15  -6.702  -2.136 -15.058
  124   1HB   CYS  15          2HB       CYS  15  -5.341   0.447 -14.250
  125   2HB   CYS  15          1HB       CYS  15  -5.720  -0.870 -13.170
  126    H    LYS  16           H        LYS  16  -7.453   1.272 -15.418
  127    HA   LYS  16           HA       LYS  16  -9.331   1.761 -13.499
  128   1HB   LYS  16          2HB       LYS  16  -8.496   3.174 -15.575
  129   2HB   LYS  16          1HB       LYS  16  -9.943   2.596 -16.356
  130   1HG   LYS  16          2HG       LYS  16 -10.084   3.887 -13.608
  131   2HG   LYS  16          1HG       LYS  16 -10.008   4.876 -15.047
  132   1HD   LYS  16          2HD       LYS  16 -12.154   2.804 -14.432
  133   2HD   LYS  16          1HD       LYS  16 -12.343   4.533 -14.338
  134   1HE   LYS  16          2HE       LYS  16 -12.975   4.581 -16.505
  135   2HE   LYS  16          1HE       LYS  16 -11.390   4.021 -16.996
  136   1HZ   LYS  16          3HZ       LYS  16 -13.168   1.977 -15.970
  137   2HZ   LYS  16          2HZ       LYS  16 -13.659   2.710 -17.412
  138   3HZ   LYS  16          1HZ       LYS  16 -12.145   1.961 -17.346
  139    HA   HYP  17           HA       HYP  17 -12.952  -0.097 -15.923
  140   1HB   HYP  17          1HB       HYP  17 -12.874  -0.172 -18.209
  141   2HB   HYP  17          2HB       HYP  17 -12.293  -1.825 -18.090
  142   1HD   HYP  17          1HD1      HYP  17  -9.268   0.813 -17.079
  143   2HD   HYP  17          2HD1      HYP  17  -9.224  -0.933 -16.811
  144    HOD  HYP  17           HD2      HYP  17  -9.989   1.268 -18.933
  145    HG   HYP  17           HG       HYP  17 -10.273  -1.018 -18.964
  146    H    MET  18           H        MET  18 -10.191  -2.116 -15.415
  147    HA   MET  18           HA       MET  18 -11.189  -4.710 -15.252
  148   1HB   MET  18          2HB       MET  18  -9.158  -3.307 -13.441
  149   2HB   MET  18          1HB       MET  18  -9.474  -5.017 -13.339
  150   1HG   MET  18          2HG       MET  18  -8.844  -5.315 -15.677
  151   2HG   MET  18          1HG       MET  18  -8.586  -3.600 -15.839
  152   1HE   MET  18          3HE       MET  18  -7.520  -6.542 -13.435
  153   2HE   MET  18          2HE       MET  18  -7.074  -6.989 -15.100
  154   3HE   MET  18          1HE       MET  18  -5.835  -6.670 -13.898
  155    H    LYS  19           H        LYS  19 -12.272  -5.931 -13.698
  156    HA   LYS  19           HA       LYS  19 -14.368  -4.763 -12.272
  157   1HB   LYS  19          2HB       LYS  19 -12.934  -7.407 -11.889
  158   2HB   LYS  19          1HB       LYS  19 -14.380  -7.001 -10.985
  159   1HG   LYS  19          2HG       LYS  19 -15.759  -7.324 -12.769
  160   2HG   LYS  19          1HG       LYS  19 -14.712  -6.455 -13.873
  161   1HD   LYS  19          2HD       LYS  19 -13.218  -8.475 -13.997
  162   2HD   LYS  19          1HD       LYS  19 -14.351  -9.341 -12.972
  163   1HE   LYS  19          2HE       LYS  19 -16.155  -8.959 -14.670
  164   2HE   LYS  19          1HE       LYS  19 -14.996  -8.127 -15.699
  165   1HZ   LYS  19          3HZ       LYS  19 -13.685 -10.146 -15.793
  166   2HZ   LYS  19          2HZ       LYS  19 -14.823 -10.948 -14.818
  167   3HZ   LYS  19          1HZ       LYS  19 -15.263 -10.402 -16.364
  168    H    CYS  20           H        CYS  20 -11.091  -5.209 -11.110
  169    HA   CYS  20           HA       CYS  20 -11.757  -4.708  -8.349
  170   1HB   CYS  20          2HB       CYS  20  -9.566  -5.168  -7.896
  171   2HB   CYS  20          1HB       CYS  20  -9.760  -6.026  -9.395
  172    H    CYS  21           H        CYS  21 -11.783  -2.582 -10.836
  173    HA   CYS  21           HA       CYS  21 -11.069  -0.289  -9.080
  174   1HB   CYS  21          2HB       CYS  21 -10.393  -0.539 -12.005
  175   2HB   CYS  21          1HB       CYS  21 -10.008   0.816 -10.980
  176    H    ALA  22           H        ALA  22 -12.765  -1.372 -11.933
  177    HA   ALA  22           HA       ALA  22 -14.742  -0.787 -12.944
  178   1HB   ALA  22          3HB       ALA  22 -15.598  -0.930 -10.568
  179   2HB   ALA  22          2HB       ALA  22 -15.341   0.796 -10.387
  180   3HB   ALA  22          1HB       ALA  22 -16.502   0.203 -11.557
   
  No H/Q in entry =         180
  Start of MODEL   20
    1   1H    ARG   1          3H        ARG   1   1.091  -9.644 -13.305
    2   2H    ARG   1          2H        ARG   1   0.179 -10.391 -12.081
    3   3H    ARG   1          1H        ARG   1  -0.226 -10.640 -13.713
    4    HA   ARG   1           HA       ARG   1  -0.934  -8.437 -13.994
    5   1HB   ARG   1          2HB       ARG   1  -1.922  -9.926 -11.571
    6   2HB   ARG   1          1HB       ARG   1  -2.442  -8.263 -11.700
    7   1HG   ARG   1          2HG       ARG   1  -4.063  -8.894 -13.130
    8   2HG   ARG   1          1HG       ARG   1  -2.847  -9.314 -14.313
    9   1HD   ARG   1          2HD       ARG   1  -3.797 -11.222 -12.131
   10   2HD   ARG   1          1HD       ARG   1  -4.415 -11.208 -13.781
   11    HE   ARG   1           HE       ARG   1  -1.571 -11.377 -13.891
   12   1HH1  ARG   1          1HH1      ARG   1  -3.711 -13.131 -15.199
   13   2HH1  ARG   1          2HH1      ARG   1  -3.320 -14.683 -14.535
   14   1HH2  ARG   1          1HH2      ARG   1  -1.307 -13.315 -12.014
   15   2HH2  ARG   1          2HH2      ARG   1  -1.924 -14.790 -12.684
   16    H    ASP   2           H        ASP   2  -0.819  -6.344 -13.521
   17    HA   ASP   2           HA       ASP   2   0.561  -5.402 -11.061
   18   1HB   ASP   2          2HB       ASP   2   1.368  -4.717 -13.946
   19   2HB   ASP   2          1HB       ASP   2   2.002  -3.900 -12.527
   20    H    CYS   3           H        CYS   3  -1.767  -5.151 -10.829
   21    HA   CYS   3           HA       CYS   3  -2.553  -2.386 -11.305
   22   1HB   CYS   3          2HB       CYS   3  -3.794  -4.675 -12.785
   23   2HB   CYS   3          1HB       CYS   3  -4.867  -3.435 -12.215
   24    H    CYS   4           H        CYS   4  -4.449  -5.299 -10.829
   25    HA   CYS   4           HA       CYS   4  -5.711  -4.233  -8.439
   26   1HB   CYS   4          2HB       CYS   4  -5.914  -7.013  -9.593
   27   2HB   CYS   4          1HB       CYS   4  -7.076  -6.209  -8.581
   28    H    THR   5           H        THR   5  -2.802  -5.656  -8.924
   29    HA   THR   5           HA       THR   5  -2.654  -7.578  -6.823
   30    HB   THR   5           HB       THR   5  -0.926  -7.491  -8.623
   31    HG1  THR   5           HG1      THR   5  -0.097  -6.899  -5.974
   32   1HG2  THR   5          2HG2      THR   5  -0.836  -4.853  -8.680
   33   2HG2  THR   5          1HG2      THR   5   0.202  -4.992  -7.267
   34   3HG2  THR   5          3HG2      THR   5   0.691  -5.713  -8.789
   35    HA   HYP   6           HA       HYP   6  -3.185  -4.653  -3.574
   36   1HB   HYP   6          1HB       HYP   6  -3.748  -6.064  -1.902
   37   2HB   HYP   6          2HB       HYP   6  -2.055  -6.248  -1.476
   38   1HD   HYP   6          1HD1      HYP   6  -3.346  -8.047  -4.956
   39   2HD   HYP   6          2HD1      HYP   6  -1.600  -8.189  -4.683
   40    HOD  HYP   6           HD2      HYP   6  -4.122  -9.129  -3.069
   41    HG   HYP   6           HG       HYP   6  -2.072  -8.425  -2.364
   42    HA   HYP   7           HA       HYP   7  -3.097  -3.024  -2.309
   43   1HB   HYP   7          1HB       HYP   7  -2.540  -1.211  -1.083
   44   2HB   HYP   7          2HB       HYP   7  -1.957  -0.388  -2.519
   45   1HD   HYP   7          1HD1      HYP   7   0.631  -3.426  -1.483
   46   2HD   HYP   7          2HD1      HYP   7   0.818  -2.508  -2.983
   47    HOD  HYP   7           HD2      HYP   7  -0.863  -1.115   0.362
   48    HG   HYP   7           HG       HYP   7   0.236  -0.652  -1.622
   49    H    ARG   8           H        ARG   8  -4.556  -2.328  -3.839
   50    HA   ARG   8           HA       ARG   8  -3.986  -2.515  -6.584
   51   1HB   ARG   8          2HB       ARG   8  -6.246  -1.131  -5.096
   52   2HB   ARG   8          1HB       ARG   8  -6.222  -1.296  -6.837
   53   1HG   ARG   8          2HG       ARG   8  -5.725  -3.900  -6.106
   54   2HG   ARG   8          1HG       ARG   8  -6.675  -3.370  -4.733
   55   1HD   ARG   8          2HD       ARG   8  -8.510  -2.654  -6.232
   56   2HD   ARG   8          1HD       ARG   8  -7.541  -3.063  -7.644
   57    HE   ARG   8           HE       ARG   8  -7.818  -5.394  -7.136
   58   1HH1  ARG   8          1HH2      ARG   8  -7.747  -5.519  -4.255
   59   2HH1  ARG   8          2HH2      ARG   8  -9.403  -5.732  -3.797
   60   1HH2  ARG   8          2HH1      ARG   8 -10.616  -4.683  -6.910
   61   2HH2  ARG   8          1HH1      ARG   8 -11.069  -5.253  -5.338
   62    H    LYS   9           H        LYS   9  -3.505  -1.113  -8.158
   63    HA   LYS   9           HA       LYS   9  -2.489   1.559  -7.377
   64   1HB   LYS   9          2HB       LYS   9  -1.186  -0.236  -8.777
   65   2HB   LYS   9          1HB       LYS   9  -2.211   0.248 -10.107
   66   1HG   LYS   9          2HG       LYS   9  -0.455   1.739 -10.432
   67   2HG   LYS   9          1HG       LYS   9  -1.478   2.712  -9.397
   68   1HD   LYS   9          2HD       LYS   9  -0.124   1.624  -7.415
   69   2HD   LYS   9          1HD       LYS   9   1.025   1.165  -8.655
   70   1HE   LYS   9          2HE       LYS   9   1.935   3.237  -8.253
   71   2HE   LYS   9          1HE       LYS   9   0.640   3.840  -9.273
   72   1HZ   LYS   9          1HZ       LYS   9  -0.640   3.715  -6.982
   73   2HZ   LYS   9          3HZ       LYS   9   0.935   3.935  -6.385
   74   3HZ   LYS   9          2HZ       LYS   9   0.265   5.074  -7.453
   75    H    CYS  10           H        CYS  10  -4.398   0.087  -9.927
   76    HA   CYS  10           HA       CYS  10  -6.070   0.845 -11.316
   77   1HB   CYS  10          2HB       CYS  10  -6.742   2.467  -8.851
   78   2HB   CYS  10          1HB       CYS  10  -7.822   2.206 -10.193
   79    H    LYS  11           H        LYS  11  -3.538   2.528 -11.099
   80    HA   LYS  11           HA       LYS  11  -4.421   5.214 -11.904
   81   1HB   LYS  11          2HB       LYS  11  -1.714   3.862 -11.629
   82   2HB   LYS  11          1HB       LYS  11  -1.864   5.466 -12.308
   83   1HG   LYS  11          2HG       LYS  11  -3.283   5.029  -9.695
   84   2HG   LYS  11          1HG       LYS  11  -1.531   4.972  -9.635
   85   1HD   LYS  11          2HD       LYS  11  -1.454   7.196 -10.822
   86   2HD   LYS  11          1HD       LYS  11  -3.205   7.265 -10.737
   87   1HE   LYS  11          2HE       LYS  11  -3.136   7.249  -8.288
   88   2HE   LYS  11          1HE       LYS  11  -1.397   6.975  -8.299
   89   1HZ   LYS  11          2HZ       LYS  11  -1.528   9.160  -9.770
   90   2HZ   LYS  11          1HZ       LYS  11  -2.892   9.406  -8.790
   91   3HZ   LYS  11          3HZ       LYS  11  -1.366   9.181  -8.081
   92    H    ASP  12           H        ASP  12  -3.049   2.340 -13.349
   93    HA   ASP  12           HA       ASP  12  -2.675   3.403 -15.983
   94   1HB   ASP  12          2HB       ASP  12  -2.924   0.546 -15.005
   95   2HB   ASP  12          1HB       ASP  12  -2.389   1.006 -16.604
   96    H    ARG  13           H        ARG  13  -3.805   3.253 -17.776
   97    HA   ARG  13           HA       ARG  13  -6.654   3.304 -17.692
   98   1HB   ARG  13          2HB       ARG  13  -6.438   3.267 -20.228
   99   2HB   ARG  13          1HB       ARG  13  -5.524   4.524 -19.424
  100   1HG   ARG  13          2HG       ARG  13  -3.444   3.419 -19.745
  101   2HG   ARG  13          1HG       ARG  13  -4.193   1.863 -20.043
  102   1HD   ARG  13          2HD       ARG  13  -4.672   4.213 -21.910
  103   2HD   ARG  13          1HD       ARG  13  -3.288   3.140 -22.101
  104    HE   ARG  13           HE       ARG  13  -5.944   1.847 -21.903
  105   1HH1  ARG  13          1HH2      ARG  13  -3.359   0.697 -23.024
  106   2HH1  ARG  13          2HH2      ARG  13  -3.685   0.717 -24.725
  107   1HH2  ARG  13          2HH1      ARG  13  -6.398   2.906 -24.383
  108   2HH2  ARG  13          1HH1      ARG  13  -5.449   2.001 -25.514
  109    H    ARG  14           H        ARG  14  -4.572   0.663 -17.681
  110    HA   ARG  14           HA       ARG  14  -6.329  -1.190 -19.072
  111   1HB   ARG  14          2HB       ARG  14  -4.563  -2.819 -18.654
  112   2HB   ARG  14          1HB       ARG  14  -3.834  -1.324 -19.200
  113   1HG   ARG  14          2HG       ARG  14  -3.786  -0.841 -16.520
  114   2HG   ARG  14          1HG       ARG  14  -3.808  -2.590 -16.479
  115   1HD   ARG  14          2HD       ARG  14  -1.806  -1.204 -18.274
  116   2HD   ARG  14          1HD       ARG  14  -1.500  -1.325 -16.545
  117    HE   ARG  14           HE       ARG  14  -2.201  -3.781 -18.072
  118   1HH1  ARG  14          2HH1      ARG  14  -1.440  -4.147 -15.303
  119   2HH1  ARG  14          1HH1      ARG  14   0.265  -4.442 -15.373
  120   1HH2  ARG  14          1HH2      ARG  14   0.568  -3.145 -18.610
  121   2HH2  ARG  14          2HH2      ARG  14   1.434  -3.858 -17.290
  122    H    CYS  15           H        CYS  15  -5.633  -0.228 -15.797
  123    HA   CYS  15           HA       CYS  15  -7.030  -2.508 -14.585
  124   1HB   CYS  15          2HB       CYS  15  -6.407  -0.106 -13.002
  125   2HB   CYS  15          1HB       CYS  15  -6.209  -1.777 -12.592
  126    H    LYS  16           H        LYS  16  -7.553   0.914 -15.068
  127    HA   LYS  16           HA       LYS  16  -9.811   1.425 -13.568
  128   1HB   LYS  16          2HB       LYS  16  -8.946   2.463 -16.285
  129   2HB   LYS  16          1HB       LYS  16 -10.377   3.084 -15.486
  130   1HG   LYS  16          2HG       LYS  16  -9.083   3.838 -13.571
  131   2HG   LYS  16          1HG       LYS  16  -7.672   2.937 -14.087
  132   1HD   LYS  16          2HD       LYS  16  -7.181   5.169 -14.718
  133   2HD   LYS  16          1HD       LYS  16  -7.680   4.408 -16.212
  134   1HE   LYS  16          2HE       LYS  16 -10.102   5.302 -15.515
  135   2HE   LYS  16          1HE       LYS  16  -9.172   6.407 -14.513
  136   1HZ   LYS  16          2HZ       LYS  16  -7.903   6.997 -16.525
  137   2HZ   LYS  16          1HZ       LYS  16  -8.974   6.051 -17.442
  138   3HZ   LYS  16          3HZ       LYS  16  -9.550   7.412 -16.601
  139    HA   HYP  17           HA       HYP  17 -12.875  -0.205 -16.842
  140   1HB   HYP  17          1HB       HYP  17 -12.245  -0.510 -19.031
  141   2HB   HYP  17          2HB       HYP  17 -11.843  -2.164 -18.617
  142   1HD   HYP  17          1HD1      HYP  17  -9.160   0.718 -17.304
  143   2HD   HYP  17          2HD1      HYP  17  -8.948  -0.946 -16.758
  144    HOD  HYP  17           HD2      HYP  17  -9.202   0.624 -19.365
  145    HG   HYP  17           HG       HYP  17  -9.610  -1.648 -18.906
  146    H    MET  18           H        MET  18 -10.329  -2.316 -15.742
  147    HA   MET  18           HA       MET  18 -11.893  -4.703 -15.431
  148   1HB   MET  18          2HB       MET  18  -9.233  -3.725 -14.436
  149   2HB   MET  18          1HB       MET  18  -9.974  -5.002 -13.496
  150   1HG   MET  18          2HG       MET  18 -10.096  -5.455 -16.418
  151   2HG   MET  18          1HG       MET  18  -8.491  -5.334 -15.779
  152   1HE   MET  18          3HE       MET  18 -11.654  -7.277 -16.201
  153   2HE   MET  18          2HE       MET  18 -11.533  -8.642 -15.115
  154   3HE   MET  18          1HE       MET  18 -11.881  -7.052 -14.451
  155    H    LYS  19           H        LYS  19 -13.207  -5.346 -13.968
  156    HA   LYS  19           HA       LYS  19 -14.706  -3.743 -12.300
  157   1HB   LYS  19          2HB       LYS  19 -14.081  -6.685 -11.974
  158   2HB   LYS  19          1HB       LYS  19 -15.382  -5.864 -11.139
  159   1HG   LYS  19          2HG       LYS  19 -16.744  -6.081 -12.934
  160   2HG   LYS  19          1HG       LYS  19 -15.633  -5.172 -13.930
  161   1HD   LYS  19          2HD       LYS  19 -15.837  -7.265 -15.031
  162   2HD   LYS  19          1HD       LYS  19 -14.292  -7.361 -14.210
  163   1HE   LYS  19          2HE       LYS  19 -15.381  -8.615 -12.331
  164   2HE   LYS  19          1HE       LYS  19 -16.925  -8.509 -13.163
  165   1HZ   LYS  19          1HZ       LYS  19 -14.701  -9.599 -14.680
  166   2HZ   LYS  19          3HZ       LYS  19 -15.299 -10.552 -13.409
  167   3HZ   LYS  19          2HZ       LYS  19 -16.338 -10.052 -14.656
  168    H    CYS  20           H        CYS  20 -11.683  -5.274 -11.365
  169    HA   CYS  20           HA       CYS  20 -11.873  -5.079  -8.581
  170   1HB   CYS  20          2HB       CYS  20  -9.639  -5.563  -8.533
  171   2HB   CYS  20          1HB       CYS  20 -10.022  -6.052 -10.154
  172    H    CYS  21           H        CYS  21 -11.426  -2.517 -10.859
  173    HA   CYS  21           HA       CYS  21 -10.918  -0.550  -8.666
  174   1HB   CYS  21          2HB       CYS  21 -10.339  -0.361 -11.638
  175   2HB   CYS  21          1HB       CYS  21 -10.028   0.896 -10.474
  176    H    ALA  22           H        ALA  22 -12.593  -1.264 -11.650
  177    HA   ALA  22           HA       ALA  22 -15.096  -0.130 -10.816
  178   1HB   ALA  22          3HB       ALA  22 -13.339   1.483 -12.712
  179   2HB   ALA  22          2HB       ALA  22 -15.089   1.642 -12.737
  180   3HB   ALA  22          1HB       ALA  22 -14.188   2.045 -11.286
   
  No H/Q in entry =         180