*HEADER    TOXIN                                   22-DEC-03   1RYG              
*TITLE     THREE DIMENSIONAL SOLUTION STRUCTURE OF THE R29A MUTANT OF            
*TITLE    2 SODIUM CHANNELS INHIBITOR HAINANTOXIN-IV BY 2D 1H-NMR                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HAINANTOXIN-IV;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: HNTX-IV;                                                    
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC CHEMISTRY.            
*KEYWDS    NEUROTOXIN, INHIBITOR CYSTINE KNOT MOTIF                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.L.LI, S.Y.LU, X.C.GU, S.P.LIANG                                     
*REVDAT   1   13-JAN-04 1RYG    0                                                

!E1
assign (resid 1 and name HA )  (resid 1 and name HB#)  3.5 1.7 1.0   !!0.718E+06

!C2?
assign (resid 2 and name HN )  (resid 2 and name HB#)  3.5 1.7 1.0   !!0.215E+07/2 or 0.401E+07/2?
assign (resid 2 and name HN )  (resid 2 and name HA)   3.5 1.7 0.0   !!0.997E+07/3  
assign (resid 2 and name HN )  (resid 1 and name HA )  2.7 0.9 0.0   !!0.391E+07 
assign (resid 2 and name HN )  (resid 1 and name HB#)  3.5 1.7 1.0   !!0.671E+06
assign (resid 2 and name HA )  (resid 2 and name HB#)  2.7 0.9 1.0   !!0.510E+07 or 0.671E+07/2?
assign (resid 2 and name HA )  (resid 3 and name HG )  3.5 1.7 0.0   !!0.128E+07

!L3
assign (resid 3 and name HN )  (resid 3 and name HA)   3.5 1.7 0.0  !!0.208E+07/2
assign (resid 3 and name HN )  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.101E+07 or 0.328E+07/2?
assign (resid 3 and name HN )  (resid 3 and name HG)   2.7 0.9 0.0  !!0.307E+07
assign (resid 3 and name HN )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.572E+06 or 0.894E+06
assign (resid 3 and name HN )  (resid 2 and name HB#)  3.5 1.7 1.0  !!0.215E+07/2 or 0.401E+07/2?
assign (resid 3 and name HN )  (resid 2 and name HA )  2.7 0.9 0.0  !!0.997E+07/3
assign (resid 3 and name HN )  (resid 17 and name HA ) 5.0 3.2 0.0  !!0.103E+06
assign (resid 3 and name HN )  (resid 15 and name HB#) 5.0 3.2 1.0  !!0.549E+06
assign (resid 3 and name HA )  (resid 3 and name HB#)  2.7 0.9 1.0  !!0.301E+07 or 0.707E+07/4?
assign (resid 3 and name HA )  (resid 3 and name HG)   3.5 1.7 0.0  !!0.187E+07
assign (resid 3 and name HA )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.588E+07 

!G4
assign (resid 4 and name HN )  (resid 4 and name HA#)  2.7 0.9 1.0  !!0.175E+07 or 0.421E+07
assign (resid 4 and name HN )  (resid 3 and name HA)   2.7 0.9 0.0  !!0.675E+07
assign (resid 4 and name HN )  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.436E+06 or 0.612E+06
assign (resid 4 and name HN )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.143E+06 or 0.665E+06
assign (resid 4 and name HN )  (resid 7 and name HB#)  5.0 3.2 1.0  !!0.328E+06
assign (resid 4 and name HN )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.110E+07 or 0.382E+06 
assign (resid 4 and name HA#)  (resid 22 and name HD#) 5.0 3.2 3.4  !!0.328E+07
assign (resid 4 and name HN )  (resid 5 and name HN )  5.0 3.2 0.0

!F5
assign (resid 5 and name HN )  (resid 5 and name HA)   3.5 1.7 0.0  !!0.443E+07/2
assign (resid 5 and name HN )  (resid 5 and name HB#)  2.7 0.9 1.0  !!0.297E+07 or 0.308E+07
assign (resid 5 and name HN )  (resid 4 and name HA#)  2.7 0.9 1.0  !!0.287E+07 or 0.443E+07/2
!assign (resid 5 and name HN )  (resid 22 and name HG)  5.0 3.2 0.0  !!0.224E+06
assign (resid 5 and name HN )  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.304E+07 or 0.710E+06
assign (resid 5 and name HD# ) (resid 5 and name HA)   3.5 1.7 2.4  !!0.297E+07/2
assign (resid 5 and name HD# ) (resid 5 and name HB#)  3.5 1.7 3.4  !!0.313E+07 or 0.393E+07
assign (resid 5 and name HD# ) (resid 22 and name HD#) 5.0 3.2 4.8  !!0.501E+06/3 or 0.324E+07
assign (resid 5 and name HD# ) (resid 32 and name HA ) 5.0 3.2 2.4  !!0.104E+07
assign (resid 5 and name HE# ) (resid 5 and name HA)   5.0 3.2 2.4  !!0.581E+06/2
assign (resid 5 and name HE# ) (resid 5 and name HB#)  5.0 3.2 3.4  !!0.586E+06 or 0.762E+06/2
assign (resid 5 and name HE# ) (resid 22 and name HD#) 5.0 3.2 4.8  !!0.711E+07/6
assign (resid 5 and name HE# ) (resid 32 and name HA ) 3.5 1.7 2.4  !!0.120E+07
assign (resid 5 and name HE# ) (resid 32 and name HB#) 5.0 3.2 3.4  !!0.423E+06 or 0.312E+06
!assign (resid 5 and name HE# ) (resid 32 and name HG#) 5.0 3.2 3.4  !!0.264E+06 
assign (resid 5 and name HD# ) (resid 5 and name HN)   5.0 3.2 2.4  !!0.573E+06
assign (resid 5 and name HA )  (resid 5 and name HB#)  3.5 1.7 1.0  !!0.143E+07 or 0.701E+06
assign (resid 5 and name HA )  (resid 31 and name HB#) 3.5 1.7 1.0  !!0.111E+07 or 0.449E+06
assign (resid 5 and name HA )  (resid 22 and name HD#) 3.5 1.7 2.4  !!0.213E+07 or 0.152E+07
assign (resid 5 and name HB# ) (resid 22 and name HD#) 5.0 3.2 3.4

!G6
assign (resid 6 and name HN )  (resid 6 and name HA#)  2.7 0.9 1.0  !!0.789E+07 or 0.415E+07
!assign (resid 6 and name HN )  (resid 5 and name HB#)  5.0 3.2 1.0  !!0.987E+06
assign (resid 6 and name HN )  (resid 31 and name HB#) 3.5 1.7 1.0  !!0.646E+06
assign (resid 6 and name HN )  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.411E+06
assign (resid 6 and name HN )  (resid 30 and name HE3) 5.0 3.2 0.0  !!0.639E+06?
assign (resid 6 and name HN )  (resid 5  and name HD#) 5.0 3.2 2.4  !!0.107E+07

!K7
assign (resid 7 and name HN )  (resid 7 and name HA)   3.5 1.7 0.0  !!0.152E+07 
assign (resid 7 and name HN )  (resid 7 and name HB#)  2.7 0.9 1.0  !!0.312E+07 or 0.742E+06 
assign (resid 7 and name HN )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.627E+06 or 0.195E+07
assign (resid 7 and name HN )  (resid 7 and name HD#)  5.0 3.2 1.0  !!0.181E+06
assign (resid 7 and name HN )  (resid 6 and name HA#)  3.5 1.7 1.0  !!0.135E+07 or 0.777E+06 
assign (resid 7 and name HN )  (resid 31and name HB#)  3.5 1.7 1.0  !!0.145E+07 or 0.618E+06
assign (resid 7 and name HN )  (resid 6 and name HN)   3.5 1.7 0.0  !!0.224E+07/2
assign (resid 7 and name HA )  (resid 7 and name HB#)  3.5 1.7 1.0  !!0.714E+07/4? or 0.301E+07
assign (resid 7 and name HA )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.141E+07 or 0.933E+06
assign (resid 7 and name HA )  (resid 7 and name HD#)  2.7 0.9 1.0  !!0.462E+07
assign (resid 7 and name HB#)  (resid 7 and name HG#)  3.5 1.7 2.0  !!0.189E+05 or 0.989E+06
assign (resid 7 and name HB#)  (resid 3 and name HB#)  3.5 1.7 2.0  !!0.140E+07

!G8
assign (resid 8 and name HN )  (resid 8 and name HA#)  2.7 0.9 1.0  !!0.210E+07 or 0.431E+07
!assign (resid 8 and name HN )  (resid 7 and name HN)   5.0 3.2 0.0  !!0.207E+07
assign (resid 8 and name HN )  (resid 7 and name HA)   2.7 0.9 0.0  !!0.630E+07
assign (resid 8 and name HN )  (resid 7 and name HB#)  3.5 1.7 1.0  !!0.636E+06 or 0.132E+07
!assign (resid 8 and name HN )  (resid 7 and name HG#)  5.0 3.2 1.0
assign (resid 8 and name HN )  (resid 7 and name HD#)  5.0 3.2 1.0  !!0.376E+06
assign (resid 8 and name HN )  (resid 9 and name HN)   5.0 3.2 0.0  !!0.284E+06
assign (resid 8 and name HA#)  (resid 30 and name HB#) 3.5 1.7 2.0  !!0.553E+06 or 0.672E+07 (d2o)

!C9
assign (resid 9 and name HN )  (resid 9 and name HB#)  3.5 1.7 1.0  !!0.103E+07 
assign (resid 9 and name HN )  (resid 8 and name HA#)  2.7 0.9 1.0  !!0.545E+07 or 0.235E+07
assign (resid 9 and name HN )  (resid 30 and name HA)  3.5 1.7 0.0  !!0.223E+07
assign (resid 9 and name HN )  (resid 29 and name HB#) 5.0 3.2 1.0  !!0.926E+06/3
assign (resid 9 and name HA )  (resid 9 and name HB#)  2.7 0.9 1.0  !!0.391E+08 or 0.539E+08/2?
assign (resid 9 and name HA )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.264E+08

!N10
assign (resid 10 and name HN ) (resid 10 and name HA)  3.5 1.7 0.0  !!0.107E+07
assign (resid 10 and name HN ) (resid 10 and name HB#) 3.5 1.7 1.0  !!0.261E+07 or 0.162E+07
assign (resid 10 and name HN ) (resid 9  and name HB#) 3.5 1.7 1.0  !!0.234E+07
assign (resid 10 and name HD2#)(resid 10 and name HA ) 5.0 3.2 1.0  !!0.414E+06
assign (resid 10 and name HD2#)(resid 10 and name HB#) 3.5 1.7 2.0  !!0.141E+07 or 0.193E+07
assign (resid 10 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0  !!0.260E+07/2? 
assign (resid 10 and name HN ) (resid 15 and name HN)  5.0 3.2 0.0  !!0.350E+06
assign (resid 10 and name HN ) (resid 10 and name HD2#)5.0 3.2 0.0  !!0.284E+06
assign (resid 10 and name HA ) (resid 10 and name HB#) 2.7 0.9 1.0  !!0.177E+07 or 0.231E+07 or 0.306E+07
assign (resid 10 and name HA ) (resid 11 and name HD#) 2.7 0.9 1.0  !!0.106E+08/2
assign (resid 10 and name HA ) (resid 11 and name HB#) 5.0 3.2 1.0  !!0.572E+06
assign (resid 10 and name HA ) (resid 11 and name HG#) 5.0 3.2 1.0
assign (resid 10 and name HA ) (resid 29 and name HB#) 5.0 3.2 1.0  !!0.435E+06

!P11
assign (resid 11 and name HA ) (resid 11 and name HB#) 3.5 1.7 1.0  !!0.429E+07 or 0.152E+07
assign (resid 11 and name HA ) (resid 11 and name HG#) 3.5 1.7 1.0  !!0.160E+07 or 0.152E+07?
assign (resid 11 and name HA ) (resid 14 and name HB#) 3.5 1.7 1.0  !!0.684E+06 
assign (resid 11 and name HA ) (resid 24 and name HB#) 2.7 0.9 1.0  !!0.919E+06 or 0.343E+07
assign (resid 11 and name HB# )(resid 11 and name HD#) 3.5 1.7 2.0  !!0.260E+07/2
assign (resid 11 and name HD# )(resid 11 and name HG#) 3.5 1.7 2.0  !!0.208E+07 
assign (resid 11 and name HD# )(resid 29 and name HB#) 5.0 3.2 2.0  !!0.166E+07

!S12
assign (resid 12 and name HN ) (resid 12 and name HA)  3.5 1.7 0.0  !!0.124E+07
assign (resid 12 and name HN ) (resid 12 and name HB#) 3.5 1.7 1.0  !!0.192E+07 or 0.252E+07
assign (resid 12 and name HN ) (resid 11 and name HB#) 3.5 1.7 1.0  !!0.645E+06 or 0.825E+06
assign (resid 12 and name HN ) (resid 10 and name HA)  5.0 3.2 0.0  !!0.450E+06
assign (resid 12 and name HN ) (resid 10 and name HB#) 5.0 3.2 1.0  !!0.286E+06
assign (resid 12 and name HN ) (resid 13 and name HB#) 5.0 3.2 1.0  !!0.188E+06
assign (resid 12 and name HN ) (resid 13 and name HN)  3.5 1.7 0.0  !!0.488E+07
assign (resid 12 and name HA ) (resid 12 and name HB#) 3.5 1.7 1.0  !!0.113E+07 or 0.977E+06

!N13
assign (resid 13 and name HN ) (resid 13 and name HA)  3.5 1.7 0.0  !!0.139E+07
assign (resid 13 and name HN ) (resid 13 and name HB#) 3.5 1.7 1.0  !!0.260E+07/2
assign (resid 13 and name HN ) (resid 10 and name HB#) 3.5 1.7 1.0  !!0.874E+06
assign (resid 13 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.891E+06/2?
assign (resid 13 and name HN ) (resid 12 and name HA)  3.5 1.7 0.0  !!0.744E+06
assign (resid 13 and name HN ) (resid 12 and name HB#) 5.0 3.2 1.0  !!0.274E+06 or 0.891E+06/2? 
assign (resid 13 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.451E+06
assign (resid 13 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0  !!0.220E+07
!assign (resid 13 and name HN ) (resid 12 and name HN)  5.0 3.2 0.0
assign (resid 13 and name HA ) (resid 13 and name HB#) 2.7 0.9 1.0  !!0.403E+07

!D14
assign (resid 14 and name HN ) (resid 14 and name HA)  3.5 1.7 0.0  !!0.146E+07
assign (resid 14 and name HN ) (resid 14 and name HB#) 2.7 0.9 1.0  !!0.444E+07 or 0.372E+07
assign (resid 14 and name HN ) (resid 13 and name HA)  2.7 0.9 0.0  !!0.463E+07
assign (resid 14 and name HN ) (resid 13 and name HB#) 5.0 3.2 1.0  !!0.101E+06 
assign (resid 14 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.332E+06
assign (resid 14 and name HN ) (resid 13 and name HN)  3.5 1.7 0.0  !!0.101E+07
assign (resid 14 and name HA ) (resid 14 and name HB#) 2.7 0.9 1.0  !!0.261E+07 or 0.118E+07
assign (resid 14 and name HA ) (resid 24 and name HB#) 3.5 1.7 1.0  !!0.832E+06 or 0.478E+06

!Q15
assign (resid 15 and name HN ) (resid 15 and name HA)  3.5 1.7 0.0  !!0.105E+07
assign (resid 15 and name HN ) (resid 15 and name HB#) 3.5 1.7 1.0  !!0.818E+06 or 0.310E+07/2
assign (resid 15 and name HN ) (resid 15 and name HG#) 3.5 1.7 1.0  !!0.609E+06 or 0.108E+07?
assign (resid 15 and name HN ) (resid 14 and name HA)  2.7 0.9 0.0  !!0.528E+07
assign (resid 15 and name HN ) (resid 3  and name HD#) 5.0 3.2 2.4  !!0.681E+06
assign (resid 15 and name HE2#)(resid 15 and name HA)  5.0 3.2 1.0  !!
assign (resid 15 and name HE2#)(resid 15 and name HG#) 5.0 3.2 2.0  !!0.446E+06
assign (resid 15 and name HA ) (resid 15 and name HB#) 3.5 1.7 1.0  !!0.147E+07 or 0.257E+07
assign (resid 15 and name HA ) (resid 15 and name HG#) 3.5 1.7 1.0  !!0.646E+06 or 0.111E+07
assign (resid 15 and name HB#) (resid 15 and name HG#) 3.5 1.7 2.0  !!0.113E+07 or 0.410E+06

!C16
assign (resid 16 and name HN ) (resid 16 and name HA)  3.5 1.7 0.0  !!0.105E+07
assign (resid 16 and name HN ) (resid 16 and name HB#) 2.7 0.9 1.0  !!0.344E+07 or 0.759E+06
assign (resid 16 and name HN ) (resid 15 and name HA)  3.5 1.7 0.0  !!0.104E+07
assign (resid 16 and name HN ) (resid 15 and name HB#) 3.5 1.7 1.0  !!0.647E+06
!assign (resid 16 and name HN ) (resid 15 and name HG#) 5.0 3.2 1.0  !!
assign (resid 16 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.590E+06
assign (resid 16 and name HN)  (resid 24 and name HB#) 5.0 3.2 1.0  !!0.415E+06
assign (resid 16 and name HN)  (resid 3  and name HD#) 5.0 3.2 2.4  !!0.307E+06
assign (resid 16 and name HN ) (resid 15 and name HN)  3.5 1.7 0.0  !!0.160E+07
assign (resid 16 and name HA ) (resid 16 and name HB#) 2.7 0.9 1.0  !!0.223E+07 or 0.278E+07
assign (resid 16 and name HA ) (resid 3  and name HB#) 3.5 1.7 1.0  !!0.144E+07 or 0.558E+07?
assign (resid 16 and name HB#) (resid 22 and name HB#) 2.7 0.9 2.0  !!0.274E+07 or 0.332E+07
assign (resid 16 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.384E+06 or 0.378E+06

!C17
assign (resid 17 and name HN ) (resid 17 and name HA)  3.5 1.7 0.0  !!0.170E+07
assign (resid 17 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.218E+07 or 0.259E+07
assign (resid 17 and name HN ) (resid 16 and name HA)  2.7 0.9 0.0  !!0.533E+07
assign (resid 17 and name HN ) (resid 16 and name HB#) 3.5 1.7 1.0  !!0.119E+07 
assign (resid 17 and name HN)  (resid 2 and name HB#)  5.0 3.2 1.0  !!0.116E+06
assign (resid 17 and name HN)  (resid 3 and name HA )  5.0 3.2 0.0  !!0.260E+06
assign (resid 17 and name HN)  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.158E+07
assign (resid 17 and name HN)  (resid 4 and name HA#)  5.0 3.2 1.0  !!0.341E+06
assign (resid 17 and name HN)  (resid 22 and name HB#) 5.0 3.2 1.0  !!0.199E+07/2
assign (resid 17 and name HN ) (resid 3  and name HN)  3.5 1.7 0.0  !!0.515E+06
!assign (resid 17 and name HN ) (resid 22 and name HN)  5.0 3.2 0.0  !!0.142E+06
assign (resid 17 and name HA ) (resid 17 and name HB#) 2.7 0.9 1.0  !!0.592E+07 or 0.150E+07
assign (resid 17 and name HA ) (resid 2  and name HB#) 3.5 1.7 1.0  !!0.178E+07
assign (resid 17 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4

!k18
assign (resid 18 and name HN ) (resid 18 and name HA)  3.5 1.7 0.0  !!0.140E+07 
assign (resid 18 and name HN ) (resid 18 and name HB#) 2.7 0.9 1.0  !!0.329E+07
assign (resid 18 and name HN ) (resid 18 and name HG#) 3.5 1.7 1.0  !!0.233E+07
!assign (resid 18 and name HN ) (resid 18 and name HD#) 5.0 3.2 1.0  !!0.632E+07?
assign (resid 18 and name HN ) (resid 17 and name HA ) 2.7 0.9 0.0  !!0.527E+07
assign (resid 18 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.103E+07 or 0.233E+06
assign (resid 18 and name HA ) (resid 18 and name HB#) 3.5 1.7 1.0  !!0.714E+07/4
assign (resid 18 and name HA ) (resid 18 and name HG#) 5.0 3.2 1.0  !!
assign (resid 18 and name HA ) (resid 18 and name HD#) 5.0 3.2 1.0  !!
!assign (resid 18 and name HA ) (resid 18 and name HE#) 5.0 3.2 1.0  !!0.392E+06

!S19
assign (resid 19 and name HN ) (resid 19 and name HA)  3.5 1.7 0.0  !!0.159E+07
assign (resid 19 and name HN ) (resid 19 and name HB#) 3.5 1.7 1.0  !!0.207E+07/2
assign (resid 19 and name HN ) (resid 17 and name HA)  5.0 3.2 0.0  !!0.121E+06
assign (resid 19 and name HN ) (resid 17 and name HB#) 5.0 3.2 1.0  !!0.600E+06 or 0.264E+06
assign (resid 19 and name HN ) (resid 18 and name HA)  5.0 3.2 0.0
assign (resid 19 and name HN ) (resid 18 and name HB#) 3.5 1.7 1.0  !!0.879E+06
assign (resid 19 and name HN ) (resid 21 and name HN ) 5.0 3.2 0.0  !!0.202E+06
assign (resid 19 and name HA ) (resid 19 and name HB#) 3.5 1.7 1.0  !!0.102E+07

!S20
assign (resid 20 and name HN ) (resid 20 and name HB#) 3.5 1.7 1.0  !!0.164E+07 or 0.148E+07?
assign (resid 20 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.622E+06 or 0.114E+07
!assign (resid 20 and name HN ) (resid 21 and name HA ) 5.0 3.2 0.0  !!0.466E+06
assign (resid 20 and name HN ) (resid 19 and name HB#) 5.0 3.2 1.0  !!0.315E+06
assign (resid 20 and name HN ) (resid 22 and name HG ) 5.0 3.2 0.0  !!0.297E+06
assign (resid 20 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.212E+06
assign (resid 20 and name HN ) (resid 19 and name HN)  3.5 1.7 0.0  !!0.142E+07 
assign (resid 20 and name HA ) (resid 20 and name HB#) 5.0 3.2 1.0  !!0.360E+07 or 0.330E+06 (d2o)
assign (resid 20 and name HB#) (resid 17 and name HB#) 5.0 3.2 2.0  !!0.683E+05 or 0.404E+06
!assign (resid 20 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0  !!0.160E+07
assign (resid 20 and name HB#) (resid 22 and name HG ) 3.5 1.7 1.0  !!0.204E+07
assign (resid 20 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.140E+07

!N21
assign (resid 21 and name HN ) (resid 21 and name HA)  2.7 0.9 0.0  !!0.628E+07
assign (resid 21 and name HN ) (resid 21 and name HB#) 3.5 1.7 1.0  !!0.714E+06 or 0.685E+06
assign (resid 21 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0  !!0.350E+06 or 0.161E+06
assign (resid 21 and name HN ) (resid 20 and name HN)  2.7 0.9 0.0  !!0.271E+07
assign (resid 21 and name HN ) (resid 22 and name HN)  3.5 1.7 0.0  !!0.142E+07
assign (resid 21 and name HD2#)(resid 21 and name HB#) 3.5 1.7 2.0  !!0.588E+06 or 0.271E+06
assign (resid 21 and name HA ) (resid 21 and name HB#) 3.5 1.7 1.0  !!0.230E+07 or 0.235E+07

!L22
assign (resid 22 and name HN ) (resid 22 and name HA)  3.5 1.7 0.0  !!0.136E+07 
assign (resid 22 and name HN ) (resid 22 and name HB#) 3.5 1.7 1.0  !!0.447E+07? or 0.103E+07 
assign (resid 22 and name HN ) (resid 22 and name HG)  3.5 1.7 0.0  !!0.250E+07
assign (resid 22 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.335E+06 or 0.254E+06
assign (resid 22 and name HN ) (resid 18 and name HA)  3.5 1.7 0.0  !!0.369E+07/2
!assign (resid 22 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0  !!0.476E+06
assign (resid 22 and name HN ) (resid 21 and name HA)  3.5 1.7 0.0  !!0.369E+07/2
assign (resid 22 and name HA ) (resid 22 and name HB#) 3.5 1.7 1.0  !!0.306E+07 
assign (resid 22 and name HA ) (resid 22 and name HG)  3.5 1.7 0.0  !!0.142E+07
assign (resid 22 and name HA ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.152E+07 or 0.274E+07

!V23
assign (resid 23 and name HN ) (resid 23 and name HA)  3.5 1.7 0.0  !!0.126E+07
assign (resid 23 and name HN ) (resid 23 and name HB)  5.0 3.2 0.0  !!0.163E+07
assign (resid 23 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4  !!0.319E+07/6
!assign (resid 23 and name HN ) (resid 22 and name HN)  5.0 3.2 0.0  !!
assign (resid 23 and name HN ) (resid 22 and name HA)  2.7 0.9 0.0  !!0.626E+07
assign (resid 23 and name HN ) (resid 22 and name HB#) 5.0 3.2 1.0  !!0.940E+07
assign (resid 23 and name HN ) (resid 22 and name HG)  5.0 3.2 0.0  !!0.224E+06
assign (resid 23 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.782E+06/3
assign (resid 23 and name HN ) (resid 22 and name HN)  5.0 3.2 0.0  !!0.306E+06
assign (resid 23 and name HN)  (resid 16 and name HB#) 5.0 3.2 1.0  !!0.110E+06
assign (resid 23 and name HN)  (resid 31 and name HB#) 5.0 3.2 1.0  !!0.156E+06
assign (resid 23 and name HA)  (resid 23 and name HB)  3.5 1.7 0.0  !!
assign (resid 23 and name HA)  (resid 23 and name HG#) 5.0 3.2 2.4  !!
assign (resid 23 and name HA)  (resid 16 and name HB#) 3.5 1.7 1.0  !!0.169E+07 or 0.868E+06


!C24
assign (resid 24 and name HN ) (resid 24 and name HA)   3.5 1.7 0.0  !!0.652E+06
assign (resid 24 and name HN ) (resid 24 and name HB#)  2.7 0.9 1.0  !!0.286E+07 or 0.243E+07
assign (resid 24 and name HN ) (resid 11 and name HA )  5.0 3.2 0.0  !!0.174E+06
assign (resid 24 and name HN ) (resid 16 and name HB#)  5.0 3.2 1.0  !!0.174E+06
assign (resid 24 and name HN ) (resid 23 and name HA)   2.7 0.9 0.0  !!0.593E+07
assign (resid 24 and name HN ) (resid 23 and name HB)   3.5 1.7 0.0  !!0.118E+07
assign (resid 24 and name HN ) (resid 23 and name HG#)  5.0 3.2 2.4  !!0.145E+07/6
assign (resid 24 and name HA ) (resid 24 and name HB#)  3.5 1.7 1.0  !!0.226E+07

!S25
assign (resid 25 and name HN ) (resid 25 and name HA)  3.5 1.7 0.0  !!0.855E+06
assign (resid 25 and name HN ) (resid 25 and name HB#) 2.7 0.9 1.0  !!0.201E+07 or 0.304E+07
assign (resid 25 and name HN ) (resid 24 and name HA)  2.7 0.9 0.0  !!0.503E+07
assign (resid 25 and name HN ) (resid 24 and name HB#) 5.0 3.2 1.0  !!0.352E+06 or 0.279E+06
assign (resid 25 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.238E+06
assign (resid 25 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.304E+06
assign (resid 25 and name HN ) (resid 30 and name HN)  3.5 1.7 0.0  !!0.869E+06
assign (resid 25 and name HN ) (resid 24 and name HN)  5.0 3.2 0.0  !!0.189E+06
assign (resid 25 and name HA ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.149E+07
assign (resid 25 and name HB#) (resid 28 and name HB#) 5.0 3.2 2.0
assign (resid 25 and name HB#) (resid 32 and name HB#) 5.0 3.2 2.0
assign (resid 25 and name HB#) (resid 32 and name HG#) 5.0 3.2 2.0
assign (resid 25 and name HB#) (resid 32 and name HD#) 5.0 3.2 2.0

!R26
assign (resid 26 and name HN ) (resid 26 and name HA)  3.5 1.7 0.0  !!0.147E+07
assign (resid 26 and name HN ) (resid 26 and name HB#) 2.7 0.9 1.0  !!0.370E+07 
assign (resid 26 and name HN ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.292E+06
assign (resid 26 and name HN ) (resid 25 and name HA ) 2.7 0.9 0.0  !!0.568E+07
assign (resid 26 and name HN ) (resid 25 and name HN ) 5.0 3.2 0.0
assign (resid 26 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.203E+06 or 0.855E+05
assign (resid 26 and name HN ) (resid 11 and name HB#) 5.0 3.2 1.0  !!0.157E+06
assign (resid 26 and name HA ) (resid 26 and name HB#) 2.7 0.9 1.0  !!0.717E+07? 
assign (resid 26 and name HA ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.461E+06 or 0.600E+06
assign (resid 26 and name HA ) (resid 26 and name HD#) 5.0 3.2 1.0
assign (resid 26 and name HA ) (resid 11 and name HB#) 3.5 1.7 1.0  !!0.976E+07/2?
assign (resid 26 and name HA ) (resid 11 and name HG#) 5.0 3.2 1.0  !!0.259E+07/2?

!K27
assign (resid 27 and name HN ) (resid 27 and name HA)  3.5 1.7 0.0  !!0.172E+07
assign (resid 27 and name HN ) (resid 27 and name HB#) 3.5 1.7 1.0  !!0.208E+07 or 0.100E+07
assign (resid 27 and name HN ) (resid 27 and name HG#) 5.0 3.2 1.0  !!0.331E+06 or 0.192E+06
assign (resid 27 and name HN ) (resid 26 and name HA)  5.0 3.2 0.0  !!0.149E+06
assign (resid 27 and name HN ) (resid 26 and name HB#) 3.5 1.7 1.0  !!0.124E+07
assign (resid 27 and name HN ) (resid 25 and name HA)  5.0 3.2 0.0  !!0.289E+06
assign (resid 27 and name HN ) (resid 26 and name HN)  3.5 1.7 0.0  !!0.140E+07
assign (resid 27 and name HN ) (resid 28 and name HN)  3.5 1.7 0.0  !!0.104E+07
assign (resid 27 and name HA ) (resid 27 and name HB#) 2.7 0.9 1.0  !!0.324E+07 or 0.153E+07
assign (resid 27 and name HA ) (resid 27 and name HG#) 5.0 3.2 1.0  !!0.388E+06 or 0.673E+06

!H28
assign (resid 28 and name HN ) (resid 28 and name HA)  3.5 1.7 0.0  !!0.130E+07
assign (resid 28 and name HN ) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.192E+07/2
assign (resid 28 and name HN ) (resid 27 and name HA)  3.5 1.7 0.0  !!0.108E+07
assign (resid 28 and name HN ) (resid 27 and name HB#) 3.5 1.7 1.0  !!0.647E+06 or 0.560E+06
assign (resid 28 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.778E+06 
!assign (resid 28 and name HN ) (resid 29 and name HA)  5.0 3.2 0.0  !!-0.408E+06
assign (resid 28 and name HD2) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.447E+07/2
assign (resid 28 and name HD2) (resid 27 and name HB#) 5.0 3.2 1.0  !!0.329E+06
assign (resid 28 and name HD2) (resid 25 and name HB#) 5.0 3.2 1.0
assign (resid 28 and name HD2) (resid 28 and name HE1) 5.0 3.2 0.0  !!0.230E+06
assign (resid 28 and name HN ) (resid 29 and name HN)  3.5 1.7 0.0  !!0.112E+07
assign (resid 28 and name HA ) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.707E+07/4?

!A29
assign (resid 29 and name HN ) (resid 29 and name HA)  2.7 0.9 0.0  !!0.498E+07
assign (resid 29 and name HN ) (resid 29 and name HB#) 3.5 1.7 1.0  !!0.227E+07/3 
assign (resid 29 and name HN ) (resid 28 and name HA)  3.5 1.7 0.0  !!0.198E+07
assign (resid 29 and name HN ) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.140E+07/2
assign (resid 29 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.785E+06
assign (resid 29 and name HN ) (resid 30 and name HN)  3.5 1.7 0.0  !!0.150E+07
assign (resid 29 and name HA ) (resid 29 and name HB#) 3.5 1.7 1.0  !!0.445E+07/3 
assign (resid 29 and name HA ) (resid 11 and name HB#) 5.0 3.2 1.0
assign (resid 29 and name HA ) (resid 11 and name HG#) 5.0 3.2 1.0

!W30
assign (resid 30 and name HN ) (resid 30 and name HA)  3.5 1.7 0.0  !!0.127E+07
assign (resid 30 and name HN ) (resid 30 and name HB#) 5.0 3.2 1.0  !!0.417E+06 or 0.420E+06
assign (resid 30 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.226E+07
assign (resid 30 and name HN ) (resid 28 and name HA ) 5.0 3.2 0.0  !!0.518E+06
assign (resid 30 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.966E+06/2
assign (resid 30 and name HN ) (resid 29 and name HA ) 3.5 1.7 0.0  !!0.276E+07? 
assign (resid 30 and name HN ) (resid 29 and name HB#) 5.0 3.2 1.0  !!0.461E+06
assign (resid 30 and name HD1) (resid 30 and name HA ) 5.0 3.2 0.0  !!0.504E+06
assign (resid 30 and name HD1) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.113E+07 or 0.862E+06
assign (resid 30 and name HD1) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.565E+06/2
assign (resid 30 and name HD1) (resid 6  and name HA#) 5.0 3.2 1.0  !!0.156E+06
assign (resid 30 and name HD1) (resid 8  and name HA#) 5.0 3.2 1.0  !!0.546E+06 or 0.509E+06/2
assign (resid 30 and name HD1) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.324E+06 or 0.509E+06/2
assign (resid 30 and name HD1) (resid 32 and name HB#) 3.5 1.7 1.0  !!0.619E+06 
assign (resid 30 and name HD1) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.229E+06 or 0.310E+06 
assign (resid 30 and name HE1) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.549E+06/2
assign (resid 30 and name HE1) (resid 30 and name HZ2) 3.5 1.7 0.0  !!0.159E+07
assign (resid 30 and name HE1) (resid 30 and name HD1) 2.7 0.9 0.0  !!0.350E+07
assign (resid 30 and name HE1) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.312E+06
assign (resid 30 and name HE1) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.345E+06
assign (resid 30 and name HE3) (resid 30 and name HA ) 5.0 3.2 0.0  !!0.409E+06
assign (resid 30 and name HE3) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.204E+07 or 0.123E+06
assign (resid 30 and name HE3) (resid 6  and name HA#) 3.5 1.7 1.0  !!0.400E+06 or 0.100E+07
!assign (resid 30 and name HE3) (resid 32 and name HA ) 5.0 3.2 0.0  !!0.364E+06
assign (resid 30 and name HA ) (resid 30 and name HB#) 2.7 0.9 1.0  !!0.407E+07 or 0.321E+07
assign (resid 30 and name HA ) (resid 8  and name HA#) 2.7 0.9 1.0  !!0.337E+07 or 0.120E+07
assign (resid 30 and name HA ) (resid 29 and name HA ) 5.0 3.2 0.0  !!0.485E+06
assign (resid 30 and name HA ) (resid 29 and name HB#) 5.0 3.2 1.0  !!0.389E+06

!C31
!assign (resid 31 and name HN ) (resid 31 and name HA)  5.0 3.2 0.0  !!0.261E+06
assign (resid 31 and name HN ) (resid 31 and name HB#) 2.7 0.9 1.0  !!0.301E+07 or 0.312E+07
assign (resid 31 and name HN ) (resid 30 and name HA)  2.7 0.9 0.0  !!0.449E+07
assign (resid 31 and name HN ) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.116E+07
assign (resid 31 and name HN ) (resid 7  and name HB#) 5.0 3.2 1.0
assign (resid 31 and name HN ) (resid 7 and name HN)   3.5 1.7 0.0  !!0.224E+07/2?
assign (resid 31 and name HN ) (resid 30 and name HN ) 5.0 3.2 0.0
assign (resid 31 and name HN ) (resid 30 and name HD1) 5.0 3.2 0.0
assign (resid 31 and name HN ) (resid 30 and name HE3) 5.0 3.2 0.0
assign (resid 31 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0  !!0.507E+06 or 0.243E+07
assign (resid 31 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.110E+07 or 0.134E+07
assign (resid 31 and name HA ) (resid 31 and name HB#) 3.5 1.7 1.0  !!0.539E+08? or 0.288E+08 (d2o)
assign (resid 31 and name HA)  (resid 24 and name HA ) 3.5 1.7 0.0  !!0.205E+08(d2o)

!K32
assign (resid 32 and name HN ) (resid 32 and name HA)  5.0 3.2 0.0  !!0.468E+06
assign (resid 32 and name HN ) (resid 32 and name HB#) 3.5 1.7 1.0  !!0.562E+06 or 0.199E+07/2
assign (resid 32 and name HN ) (resid 32 and name HG#) 3.5 1.7 1.0  !!0.154E+07 or 0.580E+06
!assign (resid 32 and name HN ) (resid 32 and name HD#) 5.0 3.2 1.0  !!
assign (resid 32 and name HN ) (resid 31 and name HB#) 3.5 1.7 1.0  !!0.546E+06
assign (resid 32 and name HN)  (resid 31 and name HA)  5.0 3.2 0.0
assign (resid 32 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.384E+06/3
assign (resid 32 and name HN)  (resid 23 and name HG#) 5.0 3.2 2.4  !!0.878E+06/3
assign (resid 32 and name HN)  (resid 25 and name HN)  5.0 3.2 0.0  !!0.375E+06
assign (resid 32 and name HA ) (resid 32 and name HB#) 3.5 1.7 1.0  !!0.101E+07 or 0.105E+07
assign (resid 32 and name HA ) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.458E+06
assign (resid 32 and name HA ) (resid 32 and name HD#) 5.0 3.2 1.0  !!0.105E+07 (d2o)
assign (resid 32 and name HA ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.135E+08 (d2o)
!assign (resid 32 and name HA ) (resid 5  and name HA ) 5.0 3.2 0.0  !!0.124E+07 (d2o)

!Y33
assign (resid 33 and name HN ) (resid 33 and name HA)  3.5 1.7 0.0  !!0.130E+07
assign (resid 33 and name HN ) (resid 33 and name HB#) 2.7 0.9 1.0  !!0.189E+07 or 0.281E+07
assign (resid 33 and name HN ) (resid 32 and name HA)  3.5 1.7 0.0  !!0.196E+07 
assign (resid 33 and name HN ) (resid 32 and name HB#) 3.5 1.7 1.0  !!0.192E+07 or 0.310E+07/2
assign (resid 33 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.226E+06
assign (resid 33 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.636E+06
assign (resid 33 and name HD#) (resid 33 and name HA ) 3.5 1.7 2.4  !!0.296E+07
assign (resid 33 and name HD# )(resid 33 and name HB#) 3.5 1.7 3.4  !!0.401E+07 or 0.420E+07
assign (resid 33 and name HD# )(resid 22 and name HG ) 5.0 3.2 2.4  !!0.629E+06
assign (resid 33 and name HD# )(resid 22 and name HD#) 5.0 3.2 4.8  !!0.132E+07 or 0.365E+06
assign (resid 33 and name HE#) (resid 33 and name HA ) 5.0 3.2 2.4  !!0.136E+06
assign (resid 33 and name HE# )(resid 33 and name HB#) 5.0 3.2 3.4  !!0.338E+06 or 0.437E+06
assign (resid 33 and name HE# )(resid 20 and name HB#) 5.0 3.2 3.4  !!0.771E+06
assign (resid 33 and name HE# )(resid 21 and name HB#) 5.0 3.2 3.4  !!0.539E+06
assign (resid 33 and name HE# )(resid 22 and name HG ) 5.0 3.2 2.4  !!0.681E+06
assign (resid 33 and name HE# )(resid 22 and name HD#) 5.0 3.2 4.8  !!0.254E+06 or 0.834E+06
assign (resid 33 and name HN ) (resid 33 and name HD#) 3.5 1.7 2.4  !!0.123E+07
assign (resid 33 and name HN ) (resid 33 and name HE#) 5.0 3.2 2.4
assign (resid 33 and name HN ) (resid  5 and name HD#) 5.0 3.2 2.4  !!0.550E+06
assign (resid 33 and name HN ) (resid  5 and name HE#) 5.0 3.2 2.4  !!0.944E+06
assign (resid 33 and name HA ) (resid 33 and name HB#) 3.5 1.7 1.0  !!0.261E+07 

!E34
assign (resid 34 and name HN ) (resid 34 and name HA)  3.5 1.7 0.0   !!0.208E+07/2 
assign (resid 34 and name HN ) (resid 34 and name HG#) 3.5 1.7 1.0  !!0.594E+06
assign (resid 34 and name HN ) (resid 34 and name HB#) 3.5 1.7 1.0  !!0.105E+07 or 0.328E+07/2?
!assign (resid 34 and name HN ) (resid 22 and name HA ) 5.0 3.2 0.0  !!0.584E+06
assign (resid 34 and name HN ) (resid 33 and name HB#) 3.5 1.7 1.0  !!0.606E+06 or 0.401E+07/3?
assign (resid 34 and name HN ) (resid 33 and name HA ) 2.7 0.9 0.0  !!0.997E+07/3?
assign (resid 34 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.287E+06
assign (resid 34 and name HN ) (resid 33 and name HN ) 5.0 3.2 0.0  !!0.192E+06
assign (resid 34 and name HN ) (resid 33 and name HD#) 5.0 3.2 2.4  !!0.610E+06
assign (resid 34 and name HN ) (resid 35 and name HN ) 5.0 3.2 0.0  !!0.161E+06
assign (resid 34 and name HA ) (resid 34 and name HG#) 3.5 1.7 1.0  !!0.119E+07
assign (resid 34 and name HA ) (resid 34 and name HB#) 3.5 1.7 1.0  !!0.101E+07 or 0.707E+07/4?
assign (resid 34 and name HA ) (resid 23 and name HG#) 5.0 3.2 2.4
assign (resid 34 and name HG#) (resid 23 and name HG#) 5.0 3.2 3.4 

!I35
assign (resid 35 and name HN ) (resid 35 and name HA)  5.0 3.2 0.0  !!0.551E+06
assign (resid 35 and name HN ) (resid 35 and name HB)  3.5 1.7 0.0  !!0.150E+07/2?
assign (resid 35 and name HN ) (resid 35 and name HG1#)5.0 3.2 1.0  !!0.171E+06 or 0.240E+06
assign (resid 35 and name HN ) (resid 35 and name HG2#)5.0 3.2 1.0  !!0.300E+06
assign (resid 35 and name HN ) (resid 34 and name HA)  2.7 0.9 0.0  !!0.347E+07
assign (resid 35 and name HN ) (resid 34 and name HB#) 5.0 3.2 1.0  !!0.468E+06 or 0.150E+07/2?
assign (resid 35 and name HN ) (resid 34 and name HG#) 5.0 3.2 1.0  !!0.388E+06
assign (resid 35 and name HA ) (resid 35 and name HB)  5.0 3.2 0.0
assign (resid 35 and name HA ) (resid 35 and name HG1#)5.0 3.2 1.0 
assign (resid 35 and name HA ) (resid 35 and name HG2#)5.0 3.2 1.0


!Disulphide bonds fake NOE

assign (resid  2 and name SG)  (resid 17 and  name SG) 2.02 0.02 0.02
assign (resid  2 and name SG)  (resid 17 and  name CB) 2.99 0.5 0.5
assign (resid  2 and name CB)  (resid 17 and  name SG) 2.99 0.5 0.5
assign (resid  9 and name SG)  (resid 24 and  name SG) 2.02 0.02 0.02
assign (resid  9 and name SG)  (resid 24 and  name CB) 2.99 0.5 0.5
assign (resid  9 and name CB)  (resid 24 and  name SG) 2.99 0.5 0.5
assign (resid 16 and name SG)  (resid 31 and  name SG) 2.02 0.02 0.02
assign (resid 16 and name SG)  (resid 31 and  name CB) 2.99 0.5 0.5
assign (resid 16 and name CB)  (resid 31 and  name SG) 2.99 0.5 0.5

!hbond
assign (resid 23 and name n)  (resid 32 and name o) 2.8 0.4 0.5
assign (resid 23 and name hn) (resid 32 and name o) 1.8 0.3 0.5
assign (resid 32 and name n)  (resid 23 and name o) 2.8 0.4 0.5
assign (resid 32 and name hn) (resid 23 and name o) 1.8 0.3 0.5

assign (resid  9 and name n)  (resid 29 and name o) 2.8 0.4 0.5
assign (resid  9 and name hn) (resid 29 and name o) 1.8 0.3 0.5

assign (resid 31 and name n)  (resid 7  and name o) 2.8 0.4 0.5
assign (resid 31 and name hn) (resid 7  and name o) 1.8 0.3 0.5

assign (resid 25 and name n)  (resid 30 and name o) 2.8 0.4 0.5
assign (resid 25 and name hn) (resid 30 and name o) 1.8 0.3 0.5

assign (resid 17 and name n)  (resid 3  and name o) 2.8 0.4 0.5
assign (resid 17 and name hn) (resid 3  and name o) 1.8 0.3 0.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1H        GLU   1  12.973   1.347   1.808
    2   2H    GLU   1          2H        GLU   1  12.987   2.286   3.222
    3   3H    GLU   1          3H        GLU   1  14.363   2.225   2.229
    4    HA   GLU   1           HA       GLU   1  12.846   4.290   2.084
    5   1HB   GLU   1          2HB       GLU   1  13.461   4.419  -0.314
    6   2HB   GLU   1          1HB       GLU   1  14.770   3.718   0.635
    7   1HG   GLU   1          2HG       GLU   1  13.654   1.429   0.016
    8   2HG   GLU   1          1HG       GLU   1  12.878   2.353  -1.270
    9    H    CYS   2           H        CYS   2  10.796   2.645   2.833
   10    HA   CYS   2           HA       CYS   2   8.765   3.175   0.755
   11   1HB   CYS   2          2HB       CYS   2   8.055   0.748   0.815
   12   2HB   CYS   2          1HB       CYS   2   9.628   1.016   0.067
   13    H    LEU   3           H        LEU   3   6.537   2.467   1.631
   14    HA   LEU   3           HA       LEU   3   6.359   3.288   4.478
   15   1HB   LEU   3          2HB       LEU   3   4.358   2.893   2.231
   16   2HB   LEU   3          1HB       LEU   3   3.914   3.433   3.850
   17    HG   LEU   3           HG       LEU   3   6.036   4.859   2.239
   18   1HD1  LEU   3          1HD1      LEU   3   4.257   6.455   1.562
   19   2HD1  LEU   3          2HD1      LEU   3   3.047   5.392   2.280
   20   3HD1  LEU   3          3HD1      LEU   3   3.984   4.848   0.888
   21   1HD2  LEU   3          1HD2      LEU   3   4.153   5.997   4.307
   22   2HD2  LEU   3          2HD2      LEU   3   5.732   6.601   3.805
   23   3HD2  LEU   3          3HD2      LEU   3   5.618   5.147   4.797
   24    H    GLY   4           H        GLY   4   5.380   1.971   6.075
   25   1HA   GLY   4          2HA       GLY   4   5.571  -0.902   5.662
   26   2HA   GLY   4          1HA       GLY   4   5.041  -0.103   7.142
   27    H    PHE   5           H        PHE   5   3.489  -2.077   6.889
   28    HA   PHE   5           HA       PHE   5   1.335  -1.859   4.939
   29   1HB   PHE   5          2HB       PHE   5   1.930  -4.016   5.787
   30   2HB   PHE   5          1HB       PHE   5   1.844  -3.462   7.458
   31    HD1  PHE   5           HD1      PHE   5   0.041  -4.383   8.597
   32    HD2  PHE   5           HD2      PHE   5  -0.453  -3.247   4.483
   33    HE1  PHE   5           HE1      PHE   5  -2.347  -5.039   8.701
   34    HE2  PHE   5           HE2      PHE   5  -2.841  -3.902   4.591
   35    HZ   PHE   5           HZ       PHE   5  -3.788  -4.799   6.698
   36    H    GLY   6           H        GLY   6  -0.585  -0.772   5.161
   37   1HA   GLY   6          2HA       GLY   6  -2.419   0.241   6.285
   38   2HA   GLY   6          1HA       GLY   6  -1.545   0.095   7.807
   39    H    LYS   7           H        LYS   7   0.753   1.381   5.878
   40    HA   LYS   7           HA       LYS   7   0.491   4.045   6.982
   41   1HB   LYS   7          2HB       LYS   7   2.475   2.451   5.899
   42   2HB   LYS   7          1HB       LYS   7   2.243   3.668   4.643
   43   1HG   LYS   7          2HG       LYS   7   3.547   5.029   5.884
   44   2HG   LYS   7          1HG       LYS   7   2.200   5.135   7.018
   45   1HD   LYS   7          2HD       LYS   7   3.298   2.751   7.759
   46   2HD   LYS   7          1HD       LYS   7   4.737   3.625   7.235
   47   1HE   LYS   7          2HE       LYS   7   2.760   5.019   9.027
   48   2HE   LYS   7          1HE       LYS   7   3.927   3.882   9.729
   49   1HZ   LYS   7          1HZ       LYS   7   4.584   6.170   7.945
   50   2HZ   LYS   7          2HZ       LYS   7   5.706   5.053   8.565
   51   3HZ   LYS   7          3HZ       LYS   7   4.877   6.101   9.613
   52    H    GLY   8           H        GLY   8  -0.583   5.781   6.113
   53   1HA   GLY   8          2HA       GLY   8  -2.318   5.558   3.873
   54   2HA   GLY   8          1HA       GLY   8  -1.827   7.080   4.609
   55    H    CYS   9           H        CYS   9  -1.906   5.658   1.719
   56    HA   CYS   9           HA       CYS   9   0.449   7.186   0.724
   57   1HB   CYS   9          2HB       CYS   9   1.025   5.129  -0.673
   58   2HB   CYS   9          1HB       CYS   9   1.324   4.969   1.056
   59    H    ASN  10           H        ASN  10   0.367   6.756  -1.898
   60    HA   ASN  10           HA       ASN  10  -2.399   7.548  -2.695
   61   1HB   ASN  10          2HB       ASN  10   0.320   8.315  -3.342
   62   2HB   ASN  10          1HB       ASN  10  -0.546   7.863  -4.810
   63   1HD2  ASN  10          1HD2      ASN  10  -0.158  10.365  -2.462
   64   2HD2  ASN  10          2HD2      ASN  10  -1.436  11.352  -2.985
   65    HA   PRO  11           HA       PRO  11  -2.872   3.573  -4.623
   66   1HB   PRO  11          2HB       PRO  11  -5.028   4.186  -6.207
   67   2HB   PRO  11          1HB       PRO  11  -5.155   3.886  -4.462
   68   1HG   PRO  11          2HG       PRO  11  -5.080   6.474  -5.935
   69   2HG   PRO  11          1HG       PRO  11  -6.060   5.998  -4.538
   70   1HD   PRO  11          2HD       PRO  11  -3.840   7.542  -4.321
   71   2HD   PRO  11          1HD       PRO  11  -4.377   6.434  -3.038
   72    H    SER  12           H        SER  12  -2.962   6.533  -6.645
   73    HA   SER  12           HA       SER  12  -2.257   5.210  -9.120
   74   1HB   SER  12          2HB       SER  12  -1.784   7.582  -9.814
   75   2HB   SER  12          1HB       SER  12  -3.359   7.384  -9.055
   76    HG   SER  12           HG       SER  12  -1.156   8.790  -8.229
   77    H    ASN  13           H        ASN  13  -0.391   6.908  -6.614
   78    HA   ASN  13           HA       ASN  13   2.140   5.885  -7.860
   79   1HB   ASN  13          2HB       ASN  13   1.420   8.355  -6.262
   80   2HB   ASN  13          1HB       ASN  13   3.096   7.855  -6.489
   81   1HD2  ASN  13          1HD2      ASN  13   3.993   7.961  -8.676
   82   2HD2  ASN  13          2HD2      ASN  13   3.207   8.822  -9.910
   83    H    ASP  14           H        ASP  14   1.217   3.902  -6.499
   84    HA   ASP  14           HA       ASP  14   1.371   3.962  -3.629
   85   1HB   ASP  14          2HB       ASP  14   1.281   1.517  -3.874
   86   2HB   ASP  14          1HB       ASP  14   0.169   2.277  -5.008
   87    H    GLN  15           H        GLN  15   3.122   3.820  -2.286
   88    HA   GLN  15           HA       GLN  15   5.760   3.001  -3.444
   89   1HB   GLN  15          2HB       GLN  15   5.076   5.568  -3.008
   90   2HB   GLN  15          1HB       GLN  15   5.623   5.158  -1.382
   91   1HG   GLN  15          2HG       GLN  15   7.800   4.646  -2.107
   92   2HG   GLN  15          1HG       GLN  15   7.293   4.441  -3.783
   93   1HE2  GLN  15          1HE2      GLN  15   8.977   6.555  -1.860
   94   2HE2  GLN  15          2HE2      GLN  15   8.680   8.001  -2.697
   95    H    CYS  16           H        CYS  16   4.014   1.312  -1.935
   96    HA   CYS  16           HA       CYS  16   4.841   1.308   0.883
   97   1HB   CYS  16          2HB       CYS  16   2.688   0.413  -0.532
   98   2HB   CYS  16          1HB       CYS  16   3.607  -1.083  -0.370
   99    H    CYS  17           H        CYS  17   5.790  -0.829   1.772
  100    HA   CYS  17           HA       CYS  17   8.324  -1.367   0.467
  101   1HB   CYS  17          2HB       CYS  17   6.850  -2.649   2.791
  102   2HB   CYS  17          1HB       CYS  17   8.527  -2.997   2.373
  103    H    LYS  18           H        LYS  18   8.429  -2.613  -1.354
  104    HA   LYS  18           HA       LYS  18   6.416  -4.555  -2.112
  105   1HB   LYS  18          2HB       LYS  18   8.193  -3.101  -3.446
  106   2HB   LYS  18          1HB       LYS  18   9.204  -4.529  -3.220
  107   1HG   LYS  18          2HG       LYS  18   8.123  -5.573  -4.891
  108   2HG   LYS  18          1HG       LYS  18   6.601  -5.407  -4.016
  109   1HD   LYS  18          2HD       LYS  18   5.893  -3.810  -5.436
  110   2HD   LYS  18          1HD       LYS  18   7.358  -2.865  -5.171
  111   1HE   LYS  18          2HE       LYS  18   7.582  -5.297  -6.908
  112   2HE   LYS  18          1HE       LYS  18   6.799  -3.856  -7.586
  113   1HZ   LYS  18          1HZ       LYS  18   9.221  -3.802  -7.885
  114   2HZ   LYS  18          2HZ       LYS  18   9.433  -3.876  -6.201
  115   3HZ   LYS  18          3HZ       LYS  18   8.681  -2.525  -6.909
  116    H    SER  19           H        SER  19   9.242  -4.747  -0.085
  117    HA   SER  19           HA       SER  19  10.050  -7.447  -0.439
  118   1HB   SER  19          2HB       SER  19  10.884  -5.377   1.029
  119   2HB   SER  19          1HB       SER  19   9.961  -6.199   2.283
  120    HG   SER  19           HG       SER  19  12.319  -6.767   1.827
  121    H    SER  20           H        SER  20   7.378  -6.079   1.490
  122    HA   SER  20           HA       SER  20   6.591  -8.840   2.338
  123   1HB   SER  20          2HB       SER  20   5.988  -6.037   3.299
  124   2HB   SER  20          1HB       SER  20   5.067  -7.426   3.867
  125    HG   SER  20           HG       SER  20   6.672  -7.852   5.139
  126    H    ASN  21           H        ASN  21   6.110  -7.515  -0.400
  127    HA   ASN  21           HA       ASN  21   4.363  -7.300  -1.966
  128   1HB   ASN  21          2HB       ASN  21   3.785  -9.540  -0.103
  129   2HB   ASN  21          1HB       ASN  21   2.426  -9.012  -1.096
  130   1HD2  ASN  21          1HD2      ASN  21   5.762 -10.282  -1.270
  131   2HD2  ASN  21          2HD2      ASN  21   5.651 -10.803  -2.881
  132    H    LEU  22           H        LEU  22   4.215  -5.068  -0.598
  133    HA   LEU  22           HA       LEU  22   1.456  -4.838   0.551
  134   1HB   LEU  22          2HB       LEU  22   3.999  -3.211   0.840
  135   2HB   LEU  22          1HB       LEU  22   2.450  -2.708   1.514
  136    HG   LEU  22           HG       LEU  22   3.735  -5.384   2.120
  137   1HD1  LEU  22          1HD1      LEU  22   4.387  -4.383   4.281
  138   2HD1  LEU  22          2HD1      LEU  22   3.774  -2.819   3.742
  139   3HD1  LEU  22          3HD1      LEU  22   5.165  -3.546   2.938
  140   1HD2  LEU  22          1HD2      LEU  22   2.131  -5.154   4.112
  141   2HD2  LEU  22          2HD2      LEU  22   1.386  -5.454   2.543
  142   3HD2  LEU  22          3HD2      LEU  22   1.385  -3.827   3.222
  143    H    VAL  23           H        VAL  23  -0.027  -3.626  -0.544
  144    HA   VAL  23           HA       VAL  23   0.936  -1.864  -2.780
  145    HB   VAL  23           HB       VAL  23  -1.177  -2.584  -3.941
  146   1HG1  VAL  23          1HG1      VAL  23   1.072  -3.715  -4.257
  147   2HG1  VAL  23          2HG1      VAL  23  -0.327  -4.716  -4.649
  148   3HG1  VAL  23          3HG1      VAL  23   0.525  -4.951  -3.123
  149   1HG2  VAL  23          1HG2      VAL  23  -2.465  -4.440  -3.074
  150   2HG2  VAL  23          2HG2      VAL  23  -2.363  -3.226  -1.799
  151   3HG2  VAL  23          3HG2      VAL  23  -1.340  -4.662  -1.734
  152    H    CYS  24           H        CYS  24  -0.343   0.071  -3.113
  153    HA   CYS  24           HA       CYS  24  -1.609   1.086  -0.657
  154   1HB   CYS  24          2HB       CYS  24  -0.017   2.279  -2.318
  155   2HB   CYS  24          1HB       CYS  24  -1.440   2.453  -3.346
  156    H    SER  25           H        SER  25  -3.808   1.497  -0.394
  157    HA   SER  25           HA       SER  25  -5.648   0.270  -2.384
  158   1HB   SER  25          2HB       SER  25  -5.445   0.091   0.316
  159   2HB   SER  25          1HB       SER  25  -6.604   1.411   0.192
  160    HG   SER  25           HG       SER  25  -6.921  -1.243  -0.292
  161    H    ARG  26           H        ARG  26  -7.654   1.452  -2.936
  162    HA   ARG  26           HA       ARG  26  -7.160   4.386  -3.227
  163   1HB   ARG  26          2HB       ARG  26  -8.777   4.180  -5.082
  164   2HB   ARG  26          1HB       ARG  26  -7.473   3.009  -5.256
  165   1HG   ARG  26          2HG       ARG  26  -8.888   1.254  -5.064
  166   2HG   ARG  26          1HG       ARG  26  -9.711   1.966  -3.678
  167   1HD   ARG  26          2HD       ARG  26 -11.392   2.807  -4.969
  168   2HD   ARG  26          1HD       ARG  26 -10.267   3.344  -6.232
  169    HE   ARG  26           HE       ARG  26 -10.184   0.583  -6.427
  170   1HH1  ARG  26          1HH2      ARG  26 -11.342   2.200  -8.627
  171   2HH1  ARG  26          2HH2      ARG  26 -12.982   1.646  -8.686
  172   1HH2  ARG  26          2HH1      ARG  26 -12.878   0.183  -5.534
  173   2HH2  ARG  26          1HH1      ARG  26 -13.854   0.500  -6.930
  174    H    LYS  27           H        LYS  27  -9.230   2.110  -1.591
  175    HA   LYS  27           HA       LYS  27 -11.482   3.942  -1.222
  176   1HB   LYS  27          2HB       LYS  27 -11.226   1.281  -1.200
  177   2HB   LYS  27          1HB       LYS  27 -10.971   1.565   0.521
  178   1HG   LYS  27          2HG       LYS  27 -13.173   1.892   0.840
  179   2HG   LYS  27          1HG       LYS  27 -13.196   3.154  -0.392
  180   1HD   LYS  27          2HD       LYS  27 -12.999   0.854  -1.908
  181   2HD   LYS  27          1HD       LYS  27 -14.041   0.346  -0.579
  182   1HE   LYS  27          2HE       LYS  27 -15.653   1.252  -1.985
  183   2HE   LYS  27          1HE       LYS  27 -15.194   2.727  -1.111
  184   1HZ   LYS  27          1HZ       LYS  27 -13.979   1.768  -3.653
  185   2HZ   LYS  27          2HZ       LYS  27 -13.517   3.165  -2.803
  186   3HZ   LYS  27          3HZ       LYS  27 -15.060   3.067  -3.507
  187    H    HIS  28           H        HIS  28  -8.915   2.638   0.899
  188    HA   HIS  28           HA       HIS  28  -9.567   4.712   2.942
  189   1HB   HIS  28          2HB       HIS  28  -8.265   2.029   2.849
  190   2HB   HIS  28          1HB       HIS  28  -7.699   3.147   4.090
  191    HD1  HIS  28           HD1      HIS  28  -9.788   4.323   5.501
  192    HD2  HIS  28           HD2      HIS  28 -10.564   0.694   3.600
  193    HE1  HIS  28           HE1      HIS  28 -11.877   3.382   6.579
  194    H    ALA  29           H        ALA  29  -7.475   4.386   0.313
  195    HA   ALA  29           HA       ALA  29  -5.499   5.495  -0.325
  196   1HB   ALA  29          1HB       ALA  29  -5.457   7.763   0.370
  197   2HB   ALA  29          2HB       ALA  29  -6.145   7.380   1.948
  198   3HB   ALA  29          3HB       ALA  29  -7.156   7.309   0.504
  199    H    TRP  30           H        TRP  30  -5.079   3.331   1.469
  200    HA   TRP  30           HA       TRP  30  -2.623   4.272   2.874
  201   1HB   TRP  30          2HB       TRP  30  -3.292   3.330   4.927
  202   2HB   TRP  30          1HB       TRP  30  -4.783   4.039   4.325
  203    HD1  TRP  30           HD1      TRP  30  -5.269   1.610   2.161
  204    HE1  TRP  30           HE1      TRP  30  -6.212  -0.611   3.060
  205    HE3  TRP  30           HE3      TRP  30  -4.075   2.091   7.096
  206    HZ2  TRP  30           HZ2      TRP  30  -6.431  -2.001   5.549
  207    HZ3  TRP  30           HZ3      TRP  30  -4.663   0.306   8.710
  208    HH2  TRP  30           HH2      TRP  30  -5.838  -1.738   7.944
  209    H    CYS  31           H        CYS  31  -1.524   2.026   3.771
  210    HA   CYS  31           HA       CYS  31  -1.059   0.450   1.325
  211   1HB   CYS  31          2HB       CYS  31   0.202   0.907   3.981
  212   2HB   CYS  31          1HB       CYS  31   0.510  -0.661   3.234
  213    H    LYS  32           H        LYS  32  -2.472  -1.189   0.904
  214    HA   LYS  32           HA       LYS  32  -3.727  -2.690   3.158
  215   1HB   LYS  32          2HB       LYS  32  -4.735  -1.588   0.879
  216   2HB   LYS  32          1HB       LYS  32  -4.417  -3.229   0.318
  217   1HG   LYS  32          2HG       LYS  32  -5.709  -3.032   2.976
  218   2HG   LYS  32          1HG       LYS  32  -6.695  -2.494   1.617
  219   1HD   LYS  32          2HD       LYS  32  -5.318  -4.939   0.923
  220   2HD   LYS  32          1HD       LYS  32  -6.214  -5.158   2.427
  221   1HE   LYS  32          2HE       LYS  32  -8.054  -3.781   0.932
  222   2HE   LYS  32          1HE       LYS  32  -7.238  -4.741  -0.317
  223   1HZ   LYS  32          1HZ       LYS  32  -7.494  -6.705   1.094
  224   2HZ   LYS  32          2HZ       LYS  32  -9.003  -6.029   0.708
  225   3HZ   LYS  32          3HZ       LYS  32  -8.330  -5.784   2.248
  226    H    TYR  33           H        TYR  33  -3.682  -5.052   3.101
  227    HA   TYR  33           HA       TYR  33  -1.205  -6.133   1.827
  228   1HB   TYR  33          2HB       TYR  33  -2.188  -6.223   4.392
  229   2HB   TYR  33          1HB       TYR  33  -2.757  -7.762   3.749
  230    HD1  TYR  33           HD1      TYR  33  -0.794  -8.818   2.050
  231    HD2  TYR  33           HD2      TYR  33  -0.189  -6.414   5.559
  232    HE1  TYR  33           HE1      TYR  33   1.480  -9.767   2.308
  233    HE2  TYR  33           HE2      TYR  33   2.086  -7.364   5.817
  234    HH   TYR  33           HH       TYR  33   3.124  -9.963   4.739
  235    H    GLU  34           H        GLU  34  -1.484  -7.365   0.008
  236    HA   GLU  34           HA       GLU  34  -4.159  -8.273  -0.805
  237   1HB   GLU  34          2HB       GLU  34  -2.268  -7.318  -2.264
  238   2HB   GLU  34          1HB       GLU  34  -1.480  -8.887  -2.081
  239   1HG   GLU  34          2HG       GLU  34  -3.670  -9.926  -2.903
  240   2HG   GLU  34          1HG       GLU  34  -4.158  -8.294  -3.359
  241    H    ILE  35           H        ILE  35  -4.979 -10.213  -0.188
  242    HA   ILE  35           HA       ILE  35  -5.139 -12.446   0.511
  243    HB   ILE  35           HB       ILE  35  -2.368 -12.521  -0.738
  244   1HG1  ILE  35          2HG1      ILE  35  -4.900 -13.477  -2.052
  245   2HG1  ILE  35          1HG1      ILE  35  -4.521 -11.756  -2.072
  246   1HG2  ILE  35          1HG2      ILE  35  -4.291 -14.656   0.175
  247   2HG2  ILE  35          2HG2      ILE  35  -2.559 -14.527   0.481
  248   3HG2  ILE  35          3HG2      ILE  35  -3.139 -14.975  -1.122
  249   1HD1  ILE  35          1HD1      ILE  35  -3.149 -14.012  -3.444
  250   2HD1  ILE  35          2HD1      ILE  35  -2.119 -12.725  -2.817
  251   3HD1  ILE  35          3HD1      ILE  35  -3.391 -12.350  -3.979
  252   1HN   NH2  36          1HN       NH2  36  -1.692 -12.473   2.818
  253   2HN   NH2  36          2HN       NH2  36  -1.555 -11.684   1.231
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1  11.348   7.426  -2.012
    2   2H    GLU   1          2H        GLU   1  12.098   5.912  -1.837
    3   3H    GLU   1          3H        GLU   1  12.854   7.310  -1.238
    4    HA   GLU   1           HA       GLU   1  11.863   6.050   0.582
    5   1HB   GLU   1          2HB       GLU   1  11.108   8.779  -0.302
    6   2HB   GLU   1          1HB       GLU   1  10.129   8.122   1.009
    7   1HG   GLU   1          2HG       GLU   1  12.614   7.413   1.860
    8   2HG   GLU   1          1HG       GLU   1  12.989   8.904   0.996
    9    H    CYS   2           H        CYS   2  10.517   4.272   0.519
   10    HA   CYS   2           HA       CYS   2   7.803   4.583  -0.717
   11   1HB   CYS   2          2HB       CYS   2   7.902   2.120  -0.906
   12   2HB   CYS   2          1HB       CYS   2   9.309   2.861  -1.663
   13    H    LEU   3           H        LEU   3   6.032   3.392   0.430
   14    HA   LEU   3           HA       LEU   3   6.189   3.877   3.349
   15   1HB   LEU   3          2HB       LEU   3   3.945   3.094   1.457
   16   2HB   LEU   3          1HB       LEU   3   3.724   3.484   3.161
   17    HG   LEU   3           HG       LEU   3   5.215   5.468   1.510
   18   1HD1  LEU   3          1HD1      LEU   3   2.247   4.921   1.266
   19   2HD1  LEU   3          2HD1      LEU   3   3.437   5.005  -0.032
   20   3HD1  LEU   3          3HD1      LEU   3   2.974   6.469   0.835
   21   1HD2  LEU   3          1HD2      LEU   3   3.032   5.702   3.610
   22   2HD2  LEU   3          2HD2      LEU   3   4.010   7.026   2.975
   23   3HD2  LEU   3          3HD2      LEU   3   4.763   5.760   3.945
   24    H    GLY   4           H        GLY   4   6.449   2.229   4.809
   25   1HA   GLY   4          2HA       GLY   4   6.943  -0.475   3.968
   26   2HA   GLY   4          1HA       GLY   4   6.759   0.057   5.638
   27    H    PHE   5           H        PHE   5   5.650  -2.256   5.430
   28    HA   PHE   5           HA       PHE   5   3.014  -2.425   4.270
   29   1HB   PHE   5          2HB       PHE   5   4.311  -4.402   4.750
   30   2HB   PHE   5          1HB       PHE   5   4.489  -3.942   6.443
   31    HD1  PHE   5           HD1      PHE   5   3.240  -5.284   7.867
   32    HD2  PHE   5           HD2      PHE   5   1.589  -4.197   4.053
   33    HE1  PHE   5           HE1      PHE   5   1.152  -6.497   8.424
   34    HE2  PHE   5           HE2      PHE   5  -0.500  -5.412   4.612
   35    HZ   PHE   5           HZ       PHE   5  -0.718  -6.561   6.798
   36    H    GLY   6           H        GLY   6   1.073  -1.737   5.087
   37   1HA   GLY   6          2HA       GLY   6  -0.534  -1.052   6.675
   38   2HA   GLY   6          1HA       GLY   6   0.652  -1.327   7.951
   39    H    LYS   7           H        LYS   7   0.645   0.797   5.072
   40    HA   LYS   7           HA       LYS   7   1.140   3.128   6.898
   41   1HB   LYS   7          2HB       LYS   7   2.425   2.234   4.315
   42   2HB   LYS   7          1HB       LYS   7   2.489   3.925   4.811
   43   1HG   LYS   7          2HG       LYS   7   3.252   1.789   6.779
   44   2HG   LYS   7          1HG       LYS   7   4.409   2.279   5.542
   45   1HD   LYS   7          2HD       LYS   7   4.852   4.222   6.597
   46   2HD   LYS   7          1HD       LYS   7   3.137   4.583   6.790
   47   1HE   LYS   7          2HE       LYS   7   3.086   3.777   8.929
   48   2HE   LYS   7          1HE       LYS   7   4.138   2.404   8.532
   49   1HZ   LYS   7          1HZ       LYS   7   6.024   3.901   8.431
   50   2HZ   LYS   7          2HZ       LYS   7   5.275   4.023   9.951
   51   3HZ   LYS   7          3HZ       LYS   7   5.030   5.230   8.782
   52    H    GLY   8           H        GLY   8  -0.595   4.486   6.753
   53   1HA   GLY   8          2HA       GLY   8  -2.660   4.324   4.826
   54   2HA   GLY   8          1HA       GLY   8  -2.368   5.723   5.854
   55    H    CYS   9           H        CYS   9  -2.579   4.786   2.702
   56    HA   CYS   9           HA       CYS   9  -1.178   7.231   1.770
   57   1HB   CYS   9          2HB       CYS   9   0.473   6.103   0.679
   58   2HB   CYS   9          1HB       CYS   9   0.052   4.753   1.727
   59    H    ASN  10           H        ASN  10  -1.598   7.266  -0.821
   60    HA   ASN  10           HA       ASN  10  -4.532   7.032  -1.118
   61   1HB   ASN  10          2HB       ASN  10  -4.121   8.405  -3.125
   62   2HB   ASN  10          1HB       ASN  10  -3.302   9.092  -1.726
   63   1HD2  ASN  10          1HD2      ASN  10  -2.734   8.876  -4.861
   64   2HD2  ASN  10          2HD2      ASN  10  -1.077   8.513  -4.891
   65    HA   PRO  11           HA       PRO  11  -4.166   3.210  -3.337
   66   1HB   PRO  11          2HB       PRO  11  -6.728   3.104  -4.295
   67   2HB   PRO  11          1HB       PRO  11  -6.302   2.741  -2.612
   68   1HG   PRO  11          2HG       PRO  11  -7.475   5.212  -3.774
   69   2HG   PRO  11          1HG       PRO  11  -7.805   4.424  -2.224
   70   1HD   PRO  11          2HD       PRO  11  -6.229   6.643  -2.502
   71   2HD   PRO  11          1HD       PRO  11  -6.067   5.471  -1.176
   72    H    SER  12           H        SER  12  -5.475   6.127  -4.926
   73    HA   SER  12           HA       SER  12  -5.483   5.257  -7.623
   74   1HB   SER  12          2HB       SER  12  -5.206   7.708  -8.082
   75   2HB   SER  12          1HB       SER  12  -6.428   7.371  -6.861
   76    HG   SER  12           HG       SER  12  -5.213   8.297  -5.398
   77    H    ASN  13           H        ASN  13  -2.832   6.703  -5.738
   78    HA   ASN  13           HA       ASN  13  -0.873   5.527  -7.676
   79   1HB   ASN  13          2HB       ASN  13  -1.375   8.345  -6.867
   80   2HB   ASN  13          1HB       ASN  13   0.322   7.863  -6.912
   81   1HD2  ASN  13          1HD2      ASN  13   1.300   7.605  -8.978
   82   2HD2  ASN  13          2HD2      ASN  13   0.456   7.777 -10.441
   83    H    ASP  14           H        ASP  14  -1.178   3.983  -5.661
   84    HA   ASP  14           HA       ASP  14  -0.178   4.648  -3.086
   85   1HB   ASP  14          2HB       ASP  14  -0.205   2.285  -2.740
   86   2HB   ASP  14          1HB       ASP  14  -1.478   2.598  -3.917
   87    H    GLN  15           H        GLN  15   1.872   4.632  -2.192
   88    HA   GLN  15           HA       GLN  15   4.177   4.143  -4.055
   89   1HB   GLN  15          2HB       GLN  15   3.561   6.277  -2.015
   90   2HB   GLN  15          1HB       GLN  15   5.234   5.927  -2.450
   91   1HG   GLN  15          2HG       GLN  15   5.012   6.793  -4.558
   92   2HG   GLN  15          1HG       GLN  15   3.345   6.241  -4.722
   93   1HE2  GLN  15          1HE2      GLN  15   1.634   7.644  -3.921
   94   2HE2  GLN  15          2HE2      GLN  15   1.937   9.250  -3.460
   95    H    CYS  16           H        CYS  16   2.948   2.158  -2.284
   96    HA   CYS  16           HA       CYS  16   4.455   1.894   0.176
   97   1HB   CYS  16          2HB       CYS  16   3.000  -0.161  -1.523
   98   2HB   CYS  16          1HB       CYS  16   3.431  -0.350   0.175
   99    H    CYS  17           H        CYS  17   6.103   0.205   0.575
  100    HA   CYS  17           HA       CYS  17   8.207   0.160  -1.395
  101   1HB   CYS  17          2HB       CYS  17   7.734  -1.578   1.055
  102   2HB   CYS  17          1HB       CYS  17   9.281  -1.346   0.243
  103    H    LYS  18           H        LYS  18   8.221  -1.094  -3.220
  104    HA   LYS  18           HA       LYS  18   6.354  -3.336  -3.529
  105   1HB   LYS  18          2HB       LYS  18   8.470  -2.021  -5.249
  106   2HB   LYS  18          1HB       LYS  18   7.501  -3.382  -5.812
  107   1HG   LYS  18          2HG       LYS  18   6.374  -0.753  -4.799
  108   2HG   LYS  18          1HG       LYS  18   6.523  -1.201  -6.497
  109   1HD   LYS  18          2HD       LYS  18   5.208  -3.381  -5.545
  110   2HD   LYS  18          1HD       LYS  18   4.583  -2.140  -4.458
  111   1HE   LYS  18          2HE       LYS  18   4.682  -1.515  -7.393
  112   2HE   LYS  18          1HE       LYS  18   3.400  -2.588  -6.799
  113   1HZ   LYS  18          1HZ       LYS  18   4.077   0.081  -5.669
  114   2HZ   LYS  18          2HZ       LYS  18   2.854  -0.956  -5.102
  115   3HZ   LYS  18          3HZ       LYS  18   2.733  -0.257  -6.646
  116    H    SER  19           H        SER  19   9.252  -3.217  -1.931
  117    HA   SER  19           HA       SER  19  10.774  -5.394  -2.994
  118   1HB   SER  19          2HB       SER  19  11.414  -3.635  -1.271
  119   2HB   SER  19          1HB       SER  19  10.481  -4.555  -0.095
  120    HG   SER  19           HG       SER  19  12.052  -5.947   0.007
  121    H    SER  20           H        SER  20   8.094  -5.297  -0.639
  122    HA   SER  20           HA       SER  20   8.023  -8.298  -0.682
  123   1HB   SER  20          2HB       SER  20   8.418  -6.700   1.443
  124   2HB   SER  20          1HB       SER  20   6.657  -6.674   1.423
  125    HG   SER  20           HG       SER  20   8.417  -8.726   1.999
  126    H    ASN  21           H        ASN  21   6.731  -6.382  -2.624
  127    HA   ASN  21           HA       ASN  21   4.665  -6.112  -3.715
  128   1HB   ASN  21          2HB       ASN  21   4.995  -8.664  -3.393
  129   2HB   ASN  21          1HB       ASN  21   3.786  -8.524  -2.117
  130   1HD2  ASN  21          1HD2      ASN  21   4.292  -8.119  -5.627
  131   2HD2  ASN  21          2HD2      ASN  21   2.643  -8.128  -6.029
  132    H    LEU  22           H        LEU  22   4.140  -4.134  -2.540
  133    HA   LEU  22           HA       LEU  22   1.965  -4.519  -0.504
  134   1HB   LEU  22          2HB       LEU  22   4.331  -2.631  -0.566
  135   2HB   LEU  22          1HB       LEU  22   2.940  -2.354   0.482
  136    HG   LEU  22           HG       LEU  22   4.542  -4.929   0.469
  137   1HD1  LEU  22          1HD1      LEU  22   4.662  -2.742   2.553
  138   2HD1  LEU  22          2HD1      LEU  22   5.799  -2.815   1.207
  139   3HD1  LEU  22          3HD1      LEU  22   5.729  -4.135   2.374
  140   1HD2  LEU  22          1HD2      LEU  22   2.366  -3.772   2.230
  141   2HD2  LEU  22          2HD2      LEU  22   3.387  -5.114   2.747
  142   3HD2  LEU  22          3HD2      LEU  22   2.340  -5.294   1.340
  143    H    VAL  23           H        VAL  23   0.108  -3.434  -1.009
  144    HA   VAL  23           HA       VAL  23   0.240  -1.134  -2.928
  145    HB   VAL  23           HB       VAL  23  -1.863  -2.127  -3.944
  146   1HG1  VAL  23          1HG1      VAL  23   0.515  -3.995  -4.080
  147   2HG1  VAL  23          2HG1      VAL  23   0.480  -2.420  -4.874
  148   3HG1  VAL  23          3HG1      VAL  23  -0.671  -3.671  -5.342
  149   1HG2  VAL  23          1HG2      VAL  23  -2.650  -4.225  -3.338
  150   2HG2  VAL  23          2HG2      VAL  23  -2.074  -3.653  -1.774
  151   3HG2  VAL  23          3HG2      VAL  23  -1.081  -4.754  -2.729
  152    H    CYS  24           H        CYS  24  -1.495   0.425  -2.611
  153    HA   CYS  24           HA       CYS  24  -2.477   0.534   0.150
  154   1HB   CYS  24          2HB       CYS  24  -1.949   2.313  -2.023
  155   2HB   CYS  24          1HB       CYS  24  -3.626   2.541  -1.532
  156    H    SER  25           H        SER  25  -4.557   0.125   0.840
  157    HA   SER  25           HA       SER  25  -6.399  -1.230  -1.028
  158   1HB   SER  25          2HB       SER  25  -5.760  -1.885   1.387
  159   2HB   SER  25          1HB       SER  25  -6.815  -0.570   1.896
  160    HG   SER  25           HG       SER  25  -8.451  -1.813   1.483
  161    H    ARG  26           H        ARG  26  -8.864  -0.598  -0.514
  162    HA   ARG  26           HA       ARG  26  -9.100   2.331  -1.045
  163   1HB   ARG  26          2HB       ARG  26 -10.319  -0.109  -1.998
  164   2HB   ARG  26          1HB       ARG  26 -11.568   0.952  -1.349
  165   1HG   ARG  26          2HG       ARG  26 -11.460   2.181  -3.227
  166   2HG   ARG  26          1HG       ARG  26  -9.794   2.599  -2.828
  167   1HD   ARG  26          2HD       ARG  26  -8.990   0.565  -3.977
  168   2HD   ARG  26          1HD       ARG  26 -10.665   0.126  -4.370
  169    HE   ARG  26           HE       ARG  26  -9.444   2.705  -5.294
  170   1HH1  ARG  26          1HH2      ARG  26  -9.309   0.233  -7.076
  171   2HH1  ARG  26          2HH2      ARG  26 -10.692   0.473  -8.092
  172   1HH2  ARG  26          2HH1      ARG  26 -12.123   2.875  -6.027
  173   2HH2  ARG  26          1HH1      ARG  26 -12.289   1.973  -7.496
  174    H    LYS  27           H        LYS  27 -10.682  -0.240   0.903
  175    HA   LYS  27           HA       LYS  27 -12.235   1.616   2.506
  176   1HB   LYS  27          2HB       LYS  27 -11.462  -1.303   2.677
  177   2HB   LYS  27          1HB       LYS  27 -12.458  -0.539   3.917
  178   1HG   LYS  27          2HG       LYS  27 -14.021   0.212   2.083
  179   2HG   LYS  27          1HG       LYS  27 -13.084  -0.777   0.961
  180   1HD   LYS  27          2HD       LYS  27 -13.507  -2.615   2.881
  181   2HD   LYS  27          1HD       LYS  27 -14.939  -1.618   3.136
  182   1HE   LYS  27          2HE       LYS  27 -15.843  -2.882   1.454
  183   2HE   LYS  27          1HE       LYS  27 -14.888  -1.838   0.384
  184   1HZ   LYS  27          1HZ       LYS  27 -13.954  -4.375   1.625
  185   2HZ   LYS  27          2HZ       LYS  27 -13.016  -3.357   0.638
  186   3HZ   LYS  27          3HZ       LYS  27 -14.363  -4.167  -0.007
  187    H    HIS  28           H        HIS  28  -9.147  -0.086   2.958
  188    HA   HIS  28           HA       HIS  28  -8.750   1.123   5.632
  189   1HB   HIS  28          2HB       HIS  28  -7.401  -0.913   3.879
  190   2HB   HIS  28          1HB       HIS  28  -6.491  -0.190   5.205
  191    HD1  HIS  28           HD1      HIS  28  -6.489  -2.094   6.874
  192    HD2  HIS  28           HD2      HIS  28 -10.314  -1.250   5.446
  193    HE1  HIS  28           HE1      HIS  28  -8.093  -3.483   8.257
  194    H    ALA  29           H        ALA  29  -7.711   1.586   2.297
  195    HA   ALA  29           HA       ALA  29  -6.363   3.232   1.286
  196   1HB   ALA  29          1HB       ALA  29  -6.831   4.817   3.812
  197   2HB   ALA  29          2HB       ALA  29  -8.158   4.466   2.705
  198   3HB   ALA  29          3HB       ALA  29  -6.769   5.396   2.148
  199    H    TRP  30           H        TRP  30  -4.860   1.257   2.626
  200    HA   TRP  30           HA       TRP  30  -2.447   2.821   3.325
  201   1HB   TRP  30          2HB       TRP  30  -2.229   1.928   5.506
  202   2HB   TRP  30          1HB       TRP  30  -3.938   2.321   5.384
  203    HD1  TRP  30           HD1      TRP  30  -4.583  -0.360   3.556
  204    HE1  TRP  30           HE1      TRP  30  -4.768  -2.609   4.795
  205    HE3  TRP  30           HE3      TRP  30  -2.095   0.807   7.854
  206    HZ2  TRP  30           HZ2      TRP  30  -3.968  -3.761   7.292
  207    HZ3  TRP  30           HZ3      TRP  30  -1.824  -0.880   9.646
  208    HH2  TRP  30           HH2      TRP  30  -2.756  -3.160   9.372
  209    H    CYS  31           H        CYS  31  -0.487   1.363   3.437
  210    HA   CYS  31           HA       CYS  31  -0.356  -0.412   1.199
  211   1HB   CYS  31          2HB       CYS  31   1.421  -0.157   3.650
  212   2HB   CYS  31          1HB       CYS  31   1.881  -0.951   2.147
  213    H    LYS  32           H        LYS  32  -1.149  -2.457   1.048
  214    HA   LYS  32           HA       LYS  32  -1.235  -4.162   3.510
  215   1HB   LYS  32          2HB       LYS  32  -3.482  -4.905   2.777
  216   2HB   LYS  32          1HB       LYS  32  -3.448  -3.163   3.040
  217   1HG   LYS  32          2HG       LYS  32  -3.763  -2.690   0.830
  218   2HG   LYS  32          1HG       LYS  32  -2.759  -4.037   0.292
  219   1HD   LYS  32          2HD       LYS  32  -4.543  -5.617   0.697
  220   2HD   LYS  32          1HD       LYS  32  -5.534  -4.374   1.462
  221   1HE   LYS  32          2HE       LYS  32  -5.413  -3.105  -0.770
  222   2HE   LYS  32          1HE       LYS  32  -4.784  -4.613  -1.463
  223   1HZ   LYS  32          1HZ       LYS  32  -7.210  -4.527  -1.592
  224   2HZ   LYS  32          2HZ       LYS  32  -7.306  -4.353   0.096
  225   3HZ   LYS  32          3HZ       LYS  32  -6.698  -5.789  -0.581
  226    H    TYR  33           H        TYR  33  -1.842  -6.542   2.680
  227    HA   TYR  33           HA       TYR  33   0.124  -7.174   0.533
  228   1HB   TYR  33          2HB       TYR  33  -0.997  -8.459   2.961
  229   2HB   TYR  33          1HB       TYR  33  -0.661  -9.551   1.616
  230    HD1  TYR  33           HD1      TYR  33   1.657  -9.437   0.515
  231    HD2  TYR  33           HD2      TYR  33   0.759  -7.633   4.309
  232    HE1  TYR  33           HE1      TYR  33   4.077  -9.339   1.043
  233    HE2  TYR  33           HE2      TYR  33   3.179  -7.534   4.836
  234    HH   TYR  33           HH       TYR  33   5.396  -9.225   3.618
  235    H    GLU  34           H        GLU  34  -0.718  -7.440  -1.489
  236    HA   GLU  34           HA       GLU  34  -3.283  -8.935  -1.795
  237   1HB   GLU  34          2HB       GLU  34  -3.676  -6.460  -1.789
  238   2HB   GLU  34          1HB       GLU  34  -2.580  -6.318  -3.164
  239   1HG   GLU  34          2HG       GLU  34  -4.030  -7.804  -4.488
  240   2HG   GLU  34          1HG       GLU  34  -5.125  -7.964  -3.114
  241    H    ILE  35           H        ILE  35  -2.868 -10.598  -3.185
  242    HA   ILE  35           HA       ILE  35  -0.502 -10.533  -4.950
  243    HB   ILE  35           HB       ILE  35  -2.657 -12.605  -4.395
  244   1HG1  ILE  35          2HG1      ILE  35  -0.098 -13.373  -3.427
  245   2HG1  ILE  35          1HG1      ILE  35  -0.353 -11.707  -2.908
  246   1HG2  ILE  35          1HG2      ILE  35  -1.661 -13.080  -6.541
  247   2HG2  ILE  35          2HG2      ILE  35  -0.942 -14.184  -5.369
  248   3HG2  ILE  35          3HG2      ILE  35  -0.041 -12.770  -5.917
  249   1HD1  ILE  35          1HD1      ILE  35  -1.913 -14.168  -2.218
  250   2HD1  ILE  35          2HD1      ILE  35  -2.771 -12.628  -2.295
  251   3HD1  ILE  35          3HD1      ILE  35  -1.418 -12.828  -1.182
  252   1HN   NH2  36          1HN       NH2  36  -4.126  -9.936  -6.807
  253   2HN   NH2  36          2HN       NH2  36  -3.842  -9.831  -5.055
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1  12.666   6.258   3.845
    2   2H    GLU   1          2H        GLU   1  12.036   6.014   2.286
    3   3H    GLU   1          3H        GLU   1  11.949   4.774   3.444
    4    HA   GLU   1           HA       GLU   1  10.440   6.112   4.801
    5   1HB   GLU   1          2HB       GLU   1  11.501   8.074   2.915
    6   2HB   GLU   1          1HB       GLU   1   9.742   8.156   3.016
    7   1HG   GLU   1          2HG       GLU   1  10.169   8.021   5.610
    8   2HG   GLU   1          1HG       GLU   1  11.781   8.588   5.177
    9    H    CYS   2           H        CYS   2   8.883   4.541   4.446
   10    HA   CYS   2           HA       CYS   2   7.201   4.794   2.014
   11   1HB   CYS   2          2HB       CYS   2   7.444   2.351   1.574
   12   2HB   CYS   2          1HB       CYS   2   8.974   3.209   1.410
   13    H    LEU   3           H        LEU   3   5.199   3.391   2.242
   14    HA   LEU   3           HA       LEU   3   4.212   3.519   5.027
   15   1HB   LEU   3          2HB       LEU   3   2.918   2.830   2.365
   16   2HB   LEU   3          1HB       LEU   3   2.043   3.018   3.883
   17    HG   LEU   3           HG       LEU   3   3.842   5.222   2.898
   18   1HD1  LEU   3          1HD1      LEU   3   0.908   5.154   2.235
   19   2HD1  LEU   3          2HD1      LEU   3   2.077   4.410   1.144
   20   3HD1  LEU   3          3HD1      LEU   3   2.186   6.131   1.512
   21   1HD2  LEU   3          1HD2      LEU   3   2.723   6.513   4.453
   22   2HD2  LEU   3          2HD2      LEU   3   2.545   4.938   5.226
   23   3HD2  LEU   3          3HD2      LEU   3   1.219   5.608   4.277
   24    H    GLY   4           H        GLY   4   4.357   1.745   6.335
   25   1HA   GLY   4          2HA       GLY   4   5.173  -0.849   5.368
   26   2HA   GLY   4          1HA       GLY   4   4.639  -0.488   7.010
   27    H    PHE   5           H        PHE   5   3.771  -2.844   6.167
   28    HA   PHE   5           HA       PHE   5   1.394  -2.936   4.572
   29   1HB   PHE   5          2HB       PHE   5   2.794  -4.877   5.141
   30   2HB   PHE   5          1HB       PHE   5   2.381  -4.693   6.845
   31    HD1  PHE   5           HD1      PHE   5   0.696  -6.066   7.669
   32    HD2  PHE   5           HD2      PHE   5   0.608  -4.909   3.532
   33    HE1  PHE   5           HE1      PHE   5  -1.344  -7.434   7.328
   34    HE2  PHE   5           HE2      PHE   5  -1.431  -6.278   3.193
   35    HZ   PHE   5           HZ       PHE   5  -2.407  -7.540   5.090
   36    H    GLY   6           H        GLY   6  -0.746  -2.589   5.091
   37   1HA   GLY   6          2HA       GLY   6  -2.654  -2.113   6.373
   38   2HA   GLY   6          1HA       GLY   6  -1.739  -2.537   7.817
   39    H    LYS   7           H        LYS   7  -0.603  -0.102   5.539
   40    HA   LYS   7           HA       LYS   7  -1.098   1.995   7.629
   41   1HB   LYS   7          2HB       LYS   7   1.271   1.334   7.191
   42   2HB   LYS   7          1HB       LYS   7   1.059   1.784   5.499
   43   1HG   LYS   7          2HG       LYS   7   2.093   3.657   6.593
   44   2HG   LYS   7          1HG       LYS   7   0.412   4.102   6.299
   45   1HD   LYS   7          2HD       LYS   7   0.446   2.794   8.806
   46   2HD   LYS   7          1HD       LYS   7   1.817   3.903   8.815
   47   1HE   LYS   7          2HE       LYS   7  -0.844   4.879   7.795
   48   2HE   LYS   7          1HE       LYS   7  -0.552   4.799   9.543
   49   1HZ   LYS   7          1HZ       LYS   7   0.178   6.927   8.630
   50   2HZ   LYS   7          2HZ       LYS   7   1.222   6.124   7.556
   51   3HZ   LYS   7          3HZ       LYS   7   1.494   6.044   9.232
   52    H    GLY   8           H        GLY   8  -2.428   3.658   6.985
   53   1HA   GLY   8          2HA       GLY   8  -3.948   3.738   4.671
   54   2HA   GLY   8          1HA       GLY   8  -3.532   5.193   5.573
   55    H    CYS   9           H        CYS   9  -3.667   4.388   2.575
   56    HA   CYS   9           HA       CYS   9  -1.229   5.886   1.779
   57   1HB   CYS   9          2HB       CYS   9  -0.317   3.754   1.591
   58   2HB   CYS   9          1HB       CYS   9  -1.879   3.004   1.278
   59    H    ASN  10           H        ASN  10  -1.454   6.825  -0.343
   60    HA   ASN  10           HA       ASN  10  -4.273   7.032  -1.267
   61   1HB   ASN  10          2HB       ASN  10  -3.441   9.028  -2.439
   62   2HB   ASN  10          1HB       ASN  10  -2.937   9.065  -0.753
   63   1HD2  ASN  10          1HD2      ASN  10  -0.645   8.827  -0.285
   64   2HD2  ASN  10          2HD2      ASN  10   0.528   8.860  -1.512
   65    HA   PRO  11           HA       PRO  11  -3.411   4.283  -4.619
   66   1HB   PRO  11          2HB       PRO  11  -5.586   4.880  -6.174
   67   2HB   PRO  11          1HB       PRO  11  -5.682   3.891  -4.703
   68   1HG   PRO  11          2HG       PRO  11  -6.350   6.767  -5.097
   69   2HG   PRO  11          1HG       PRO  11  -7.183   5.537  -4.133
   70   1HD   PRO  11          2HD       PRO  11  -5.536   7.414  -3.054
   71   2HD   PRO  11          1HD       PRO  11  -5.783   5.805  -2.338
   72    H    SER  12           H        SER  12  -4.062   7.732  -5.229
   73    HA   SER  12           HA       SER  12  -3.340   7.910  -7.966
   74   1HB   SER  12          2HB       SER  12  -3.036   9.780  -5.604
   75   2HB   SER  12          1HB       SER  12  -2.697  10.283  -7.258
   76    HG   SER  12           HG       SER  12  -4.774  10.255  -7.691
   77    H    ASN  13           H        ASN  13  -1.293   7.941  -5.062
   78    HA   ASN  13           HA       ASN  13   1.079   7.337  -6.774
   79   1HB   ASN  13          2HB       ASN  13   0.658   9.840  -6.000
   80   2HB   ASN  13          1HB       ASN  13   1.292   9.251  -4.464
   81   1HD2  ASN  13          1HD2      ASN  13   2.244  10.562  -7.436
   82   2HD2  ASN  13          2HD2      ASN  13   3.870  10.077  -7.415
   83    H    ASP  14           H        ASP  14   0.623   5.140  -5.856
   84    HA   ASP  14           HA       ASP  14   0.593   4.552  -3.061
   85   1HB   ASP  14          2HB       ASP  14  -0.133   2.927  -4.666
   86   2HB   ASP  14          1HB       ASP  14   1.394   3.011  -5.542
   87    H    GLN  15           H        GLN  15   2.213   4.928  -1.624
   88    HA   GLN  15           HA       GLN  15   5.055   4.721  -2.573
   89   1HB   GLN  15          2HB       GLN  15   3.765   6.941  -1.695
   90   2HB   GLN  15          1HB       GLN  15   4.346   6.308  -0.155
   91   1HG   GLN  15          2HG       GLN  15   6.594   6.008  -1.608
   92   2HG   GLN  15          1HG       GLN  15   5.887   7.376  -2.469
   93   1HE2  GLN  15          1HE2      GLN  15   5.887   9.430  -1.415
   94   2HE2  GLN  15          2HE2      GLN  15   6.537   9.678   0.133
   95    H    CYS  16           H        CYS  16   3.541   2.466  -1.622
   96    HA   CYS  16           HA       CYS  16   4.010   1.977   1.200
   97   1HB   CYS  16          2HB       CYS  16   3.041   0.542  -1.216
   98   2HB   CYS  16          1HB       CYS  16   3.678  -0.474   0.076
   99    H    CYS  17           H        CYS  17   5.433   0.104   1.920
  100    HA   CYS  17           HA       CYS  17   8.169   0.516   1.042
  101   1HB   CYS  17          2HB       CYS  17   6.865  -1.560   2.836
  102   2HB   CYS  17          1HB       CYS  17   8.601  -1.267   2.731
  103    H    LYS  18           H        LYS  18   9.107  -0.450  -0.700
  104    HA   LYS  18           HA       LYS  18   7.775  -2.610  -2.158
  105   1HB   LYS  18          2HB       LYS  18   9.295  -0.535  -2.876
  106   2HB   LYS  18          1HB       LYS  18  10.583  -1.726  -2.697
  107   1HG   LYS  18          2HG       LYS  18   9.937  -1.965  -4.951
  108   2HG   LYS  18          1HG       LYS  18   9.066  -3.266  -4.139
  109   1HD   LYS  18          2HD       LYS  18   7.297  -2.352  -5.291
  110   2HD   LYS  18          1HD       LYS  18   7.235  -1.316  -3.865
  111   1HE   LYS  18          2HE       LYS  18   8.430   0.449  -4.982
  112   2HE   LYS  18          1HE       LYS  18   8.835  -0.610  -6.347
  113   1HZ   LYS  18          1HZ       LYS  18   6.898   0.769  -6.846
  114   2HZ   LYS  18          2HZ       LYS  18   6.081   0.130  -5.500
  115   3HZ   LYS  18          3HZ       LYS  18   6.482  -0.874  -6.811
  116    H    SER  19           H        SER  19   9.905  -2.575   0.510
  117    HA   SER  19           HA       SER  19  11.664  -4.755  -0.017
  118   1HB   SER  19          2HB       SER  19  10.377  -3.595   2.460
  119   2HB   SER  19          1HB       SER  19  11.537  -4.917   2.556
  120    HG   SER  19           HG       SER  19  12.746  -3.102   2.681
  121    H    SER  20           H        SER  20   8.325  -4.711   1.266
  122    HA   SER  20           HA       SER  20   8.292  -7.703   1.218
  123   1HB   SER  20          2HB       SER  20   6.658  -5.552   2.577
  124   2HB   SER  20          1HB       SER  20   6.140  -7.235   2.552
  125    HG   SER  20           HG       SER  20   8.280  -6.020   3.859
  126    H    ASN  21           H        ASN  21   7.859  -5.584  -1.093
  127    HA   ASN  21           HA       ASN  21   6.471  -5.376  -2.983
  128   1HB   ASN  21          2HB       ASN  21   7.130  -7.936  -2.619
  129   2HB   ASN  21          1HB       ASN  21   5.393  -8.103  -2.371
  130   1HD2  ASN  21          1HD2      ASN  21   7.835  -7.009  -4.750
  131   2HD2  ASN  21          2HD2      ASN  21   6.812  -7.143  -6.098
  132    H    LEU  22           H        LEU  22   5.222  -3.842  -1.390
  133    HA   LEU  22           HA       LEU  22   2.442  -4.891  -0.951
  134   1HB   LEU  22          2HB       LEU  22   4.156  -2.830   0.451
  135   2HB   LEU  22          1HB       LEU  22   2.420  -2.951   0.732
  136    HG   LEU  22           HG       LEU  22   4.294  -5.310   1.019
  137   1HD1  LEU  22          1HD1      LEU  22   4.238  -4.897   3.434
  138   2HD1  LEU  22          2HD1      LEU  22   3.245  -3.461   3.184
  139   3HD1  LEU  22          3HD1      LEU  22   4.910  -3.494   2.604
  140   1HD2  LEU  22          1HD2      LEU  22   2.321  -6.048   2.499
  141   2HD2  LEU  22          2HD2      LEU  22   2.038  -6.034   0.759
  142   3HD2  LEU  22          3HD2      LEU  22   1.421  -4.722   1.763
  143    H    VAL  23           H        VAL  23   0.691  -3.471  -1.502
  144    HA   VAL  23           HA       VAL  23   1.407  -1.137  -3.247
  145    HB   VAL  23           HB       VAL  23  -0.480  -1.911  -4.722
  146   1HG1  VAL  23          1HG1      VAL  23   1.633  -4.046  -4.322
  147   2HG1  VAL  23          2HG1      VAL  23   1.947  -2.502  -5.116
  148   3HG1  VAL  23          3HG1      VAL  23   0.794  -3.638  -5.819
  149   1HG2  VAL  23          1HG2      VAL  23  -1.472  -4.068  -4.410
  150   2HG2  VAL  23          2HG2      VAL  23  -1.553  -3.271  -2.840
  151   3HG2  VAL  23          3HG2      VAL  23  -0.319  -4.493  -3.145
  152    H    CYS  24           H        CYS  24  -0.844   0.079  -3.726
  153    HA   CYS  24           HA       CYS  24  -1.958   0.753  -1.067
  154   1HB   CYS  24          2HB       CYS  24  -1.137   2.257  -3.123
  155   2HB   CYS  24          1HB       CYS  24  -2.817   2.054  -3.618
  156    H    SER  25           H        SER  25  -4.256   0.781  -0.668
  157    HA   SER  25           HA       SER  25  -5.812  -1.142  -2.365
  158   1HB   SER  25          2HB       SER  25  -5.174  -1.471   0.169
  159   2HB   SER  25          1HB       SER  25  -6.488  -0.333   0.455
  160    HG   SER  25           HG       SER  25  -7.904  -1.741  -0.429
  161    H    ARG  26           H        ARG  26  -7.966  -0.556  -2.943
  162    HA   ARG  26           HA       ARG  26  -8.497   2.364  -2.957
  163   1HB   ARG  26          2HB       ARG  26  -9.655  -0.068  -4.339
  164   2HB   ARG  26          1HB       ARG  26 -10.351   1.541  -4.526
  165   1HG   ARG  26          2HG       ARG  26  -8.800   2.037  -6.076
  166   2HG   ARG  26          1HG       ARG  26  -7.526   1.770  -4.886
  167   1HD   ARG  26          2HD       ARG  26  -8.601  -0.770  -5.818
  168   2HD   ARG  26          1HD       ARG  26  -8.003   0.209  -7.173
  169    HE   ARG  26           HE       ARG  26  -6.346  -0.276  -4.721
  170   1HH1  ARG  26          1HH2      ARG  26  -5.851  -2.281  -6.797
  171   2HH1  ARG  26          2HH2      ARG  26  -4.614  -1.559  -7.771
  172   1HH2  ARG  26          2HH1      ARG  26  -5.156   1.649  -6.549
  173   2HH2  ARG  26          1HH1      ARG  26  -4.220   0.672  -7.630
  174    H    LYS  27           H        LYS  27 -10.079  -0.665  -1.881
  175    HA   LYS  27           HA       LYS  27 -12.378   0.726  -0.727
  176   1HB   LYS  27          2HB       LYS  27 -11.899  -1.772  -1.628
  177   2HB   LYS  27          1HB       LYS  27 -11.604  -2.036   0.090
  178   1HG   LYS  27          2HG       LYS  27 -13.990  -0.428  -0.318
  179   2HG   LYS  27          1HG       LYS  27 -14.104  -1.958  -1.187
  180   1HD   LYS  27          2HD       LYS  27 -13.171  -1.873   1.680
  181   2HD   LYS  27          1HD       LYS  27 -14.889  -1.906   1.287
  182   1HE   LYS  27          2HE       LYS  27 -13.093  -3.915  -0.043
  183   2HE   LYS  27          1HE       LYS  27 -13.575  -4.184   1.644
  184   1HZ   LYS  27          1HZ       LYS  27 -15.412  -3.618  -0.627
  185   2HZ   LYS  27          2HZ       LYS  27 -15.886  -3.803   0.994
  186   3HZ   LYS  27          3HZ       LYS  27 -15.222  -5.116   0.146
  187    H    HIS  28           H        HIS  28  -9.306  -0.567   0.466
  188    HA   HIS  28           HA       HIS  28  -9.995   0.131   3.271
  189   1HB   HIS  28          2HB       HIS  28  -7.631  -1.226   1.934
  190   2HB   HIS  28          1HB       HIS  28  -7.781  -1.000   3.676
  191    HD1  HIS  28           HD1      HIS  28 -10.460  -1.839   4.442
  192    HD2  HIS  28           HD2      HIS  28  -8.495  -3.765   1.310
  193    HE1  HIS  28           HE1      HIS  28 -11.593  -4.086   4.159
  194    H    ALA  29           H        ALA  29  -8.201   1.401   0.551
  195    HA   ALA  29           HA       ALA  29  -6.902   3.348   0.294
  196   1HB   ALA  29          1HB       ALA  29  -8.052   4.236   2.935
  197   2HB   ALA  29          2HB       ALA  29  -9.099   4.048   1.529
  198   3HB   ALA  29          3HB       ALA  29  -7.757   5.191   1.482
  199    H    TRP  30           H        TRP  30  -5.573   1.145   1.554
  200    HA   TRP  30           HA       TRP  30  -3.494   2.619   3.061
  201   1HB   TRP  30          2HB       TRP  30  -3.662   1.257   5.007
  202   2HB   TRP  30          1HB       TRP  30  -5.311   1.729   4.622
  203    HD1  TRP  30           HD1      TRP  30  -5.129  -0.599   2.101
  204    HE1  TRP  30           HE1      TRP  30  -5.716  -3.004   2.812
  205    HE3  TRP  30           HE3      TRP  30  -4.558  -0.165   7.138
  206    HZ2  TRP  30           HZ2      TRP  30  -5.918  -4.543   5.220
  207    HZ3  TRP  30           HZ3      TRP  30  -4.952  -2.109   8.626
  208    HH2  TRP  30           HH2      TRP  30  -5.630  -4.297   7.674
  209    H    CYS  31           H        CYS  31  -1.876   0.551   3.816
  210    HA   CYS  31           HA       CYS  31  -0.896  -0.449   1.234
  211   1HB   CYS  31          2HB       CYS  31   0.308   0.411   3.469
  212   2HB   CYS  31          1HB       CYS  31   0.227  -1.304   3.871
  213    H    LYS  32           H        LYS  32  -1.395  -2.439   0.416
  214    HA   LYS  32           HA       LYS  32  -2.328  -4.580   2.296
  215   1HB   LYS  32          2HB       LYS  32  -4.100  -5.094   0.626
  216   2HB   LYS  32          1HB       LYS  32  -4.253  -3.453   1.250
  217   1HG   LYS  32          2HG       LYS  32  -3.654  -2.487  -0.751
  218   2HG   LYS  32          1HG       LYS  32  -2.579  -3.812  -1.191
  219   1HD   LYS  32          2HD       LYS  32  -5.093  -5.006  -1.125
  220   2HD   LYS  32          1HD       LYS  32  -5.402  -3.423  -1.840
  221   1HE   LYS  32          2HE       LYS  32  -3.683  -3.806  -3.540
  222   2HE   LYS  32          1HE       LYS  32  -3.254  -5.356  -2.791
  223   1HZ   LYS  32          1HZ       LYS  32  -5.947  -4.636  -3.832
  224   2HZ   LYS  32          2HZ       LYS  32  -5.516  -6.121  -3.126
  225   3HZ   LYS  32          3HZ       LYS  32  -4.839  -5.655  -4.613
  226    H    TYR  33           H        TYR  33  -2.214  -6.777   1.238
  227    HA   TYR  33           HA       TYR  33   0.201  -6.948  -0.511
  228   1HB   TYR  33          2HB       TYR  33   0.124  -8.093   1.713
  229   2HB   TYR  33          1HB       TYR  33  -1.246  -9.046   1.144
  230    HD1  TYR  33           HD1      TYR  33  -0.846 -11.099   0.107
  231    HD2  TYR  33           HD2      TYR  33   2.254  -8.124   0.142
  232    HE1  TYR  33           HE1      TYR  33   0.707 -12.703  -0.973
  233    HE2  TYR  33           HE2      TYR  33   3.807  -9.729  -0.936
  234    HH   TYR  33           HH       TYR  33   3.030 -12.226  -2.566
  235    H    GLU  34           H        GLU  34   0.150  -8.444  -2.336
  236    HA   GLU  34           HA       GLU  34  -2.256  -8.319  -3.921
  237   1HB   GLU  34          2HB       GLU  34   0.447  -8.777  -4.296
  238   2HB   GLU  34          1HB       GLU  34  -0.256 -10.362  -4.623
  239   1HG   GLU  34          2HG       GLU  34  -1.727  -9.447  -6.300
  240   2HG   GLU  34          1HG       GLU  34  -1.280  -7.796  -5.865
  241    H    ILE  35           H        ILE  35  -4.030  -9.601  -3.665
  242    HA   ILE  35           HA       ILE  35  -3.650 -12.456  -2.853
  243    HB   ILE  35           HB       ILE  35  -4.201 -10.978  -0.904
  244   1HG1  ILE  35          2HG1      ILE  35  -6.637 -12.651  -1.431
  245   2HG1  ILE  35          1HG1      ILE  35  -5.063 -13.440  -1.341
  246   1HG2  ILE  35          1HG2      ILE  35  -6.871 -10.585  -2.280
  247   2HG2  ILE  35          2HG2      ILE  35  -5.592  -9.372  -2.288
  248   3HG2  ILE  35          3HG2      ILE  35  -6.329  -9.865  -0.764
  249   1HD1  ILE  35          1HD1      ILE  35  -5.928 -11.501   0.797
  250   2HD1  ILE  35          2HD1      ILE  35  -4.720 -12.782   0.892
  251   3HD1  ILE  35          3HD1      ILE  35  -6.435 -13.189   0.854
  252   1HN   NH2  36          1HN       NH2  36  -6.725 -13.355  -4.549
  253   2HN   NH2  36          2HN       NH2  36  -6.070 -13.474  -2.901
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1  12.505   7.582   1.218
    2   2H    GLU   1          2H        GLU   1  10.815   7.748   1.179
    3   3H    GLU   1          3H        GLU   1  11.648   7.189  -0.192
    4    HA   GLU   1           HA       GLU   1  12.182   5.131   0.827
    5   1HB   GLU   1          2HB       GLU   1  11.864   4.803   3.207
    6   2HB   GLU   1          1HB       GLU   1  12.715   6.331   2.990
    7   1HG   GLU   1          2HG       GLU   1  10.548   7.540   3.180
    8   2HG   GLU   1          1HG       GLU   1   9.734   6.002   3.463
    9    H    CYS   2           H        CYS   2  10.617   3.366   1.177
   10    HA   CYS   2           HA       CYS   2   7.927   4.055   0.158
   11   1HB   CYS   2          2HB       CYS   2   7.749   1.581  -0.030
   12   2HB   CYS   2          1HB       CYS   2   9.211   2.192  -0.797
   13    H    LEU   3           H        LEU   3   6.001   2.989   1.221
   14    HA   LEU   3           HA       LEU   3   6.060   3.501   4.134
   15   1HB   LEU   3          2HB       LEU   3   3.868   2.805   2.151
   16   2HB   LEU   3          1HB       LEU   3   3.586   3.228   3.839
   17    HG   LEU   3           HG       LEU   3   5.256   5.104   2.227
   18   1HD1  LEU   3          1HD1      LEU   3   3.619   4.999   0.592
   19   2HD1  LEU   3          2HD1      LEU   3   2.886   6.183   1.674
   20   3HD1  LEU   3          3HD1      LEU   3   2.366   4.498   1.728
   21   1HD2  LEU   3          1HD2      LEU   3   3.825   6.723   3.595
   22   2HD2  LEU   3          2HD2      LEU   3   4.879   5.663   4.530
   23   3HD2  LEU   3          3HD2      LEU   3   3.156   5.306   4.405
   24    H    GLY   4           H        GLY   4   5.488   1.918   5.709
   25   1HA   GLY   4          2HA       GLY   4   6.201  -0.830   5.028
   26   2HA   GLY   4          1HA       GLY   4   5.734  -0.247   6.625
   27    H    PHE   5           H        PHE   5   4.608  -2.539   6.227
   28    HA   PHE   5           HA       PHE   5   2.208  -2.629   4.625
   29   1HB   PHE   5          2HB       PHE   5   3.519  -4.578   5.447
   30   2HB   PHE   5          1HB       PHE   5   3.032  -4.191   7.096
   31    HD1  PHE   5           HD1      PHE   5   1.433  -4.663   3.722
   32    HD2  PHE   5           HD2      PHE   5   1.208  -5.345   7.959
   33    HE1  PHE   5           HE1      PHE   5  -0.667  -5.939   3.407
   34    HE2  PHE   5           HE2      PHE   5  -0.893  -6.620   7.641
   35    HZ   PHE   5           HZ       PHE   5  -1.831  -6.917   5.365
   36    H    GLY   6           H        GLY   6   0.194  -1.822   5.088
   37   1HA   GLY   6          2HA       GLY   6  -1.629  -1.014   6.334
   38   2HA   GLY   6          1HA       GLY   6  -0.789  -1.507   7.805
   39    H    LYS   7           H        LYS   7  -0.233   0.876   5.187
   40    HA   LYS   7           HA       LYS   7   0.213   2.961   7.298
   41   1HB   LYS   7          2HB       LYS   7   1.844   2.147   4.892
   42   2HB   LYS   7          1HB       LYS   7   1.951   3.792   5.519
   43   1HG   LYS   7          2HG       LYS   7   2.281   1.388   7.318
   44   2HG   LYS   7          1HG       LYS   7   3.642   2.085   6.443
   45   1HD   LYS   7          2HD       LYS   7   1.843   3.813   8.137
   46   2HD   LYS   7          1HD       LYS   7   3.196   2.935   8.851
   47   1HE   LYS   7          2HE       LYS   7   4.690   4.014   7.092
   48   2HE   LYS   7          1HE       LYS   7   3.313   5.057   6.684
   49   1HZ   LYS   7          1HZ       LYS   7   4.666   6.095   8.390
   50   2HZ   LYS   7          2HZ       LYS   7   4.516   4.727   9.386
   51   3HZ   LYS   7          3HZ       LYS   7   3.153   5.677   9.031
   52    H    GLY   8           H        GLY   8  -1.240   4.601   6.995
   53   1HA   GLY   8          2HA       GLY   8  -3.042   4.800   4.829
   54   2HA   GLY   8          1HA       GLY   8  -2.670   6.124   5.931
   55    H    CYS   9           H        CYS   9  -2.582   5.234   2.736
   56    HA   CYS   9           HA       CYS   9  -0.624   7.396   2.105
   57   1HB   CYS   9          2HB       CYS   9   0.805   5.946   1.087
   58   2HB   CYS   9          1HB       CYS   9  -0.032   4.698   2.002
   59    H    ASN  10           H        ASN  10  -0.756   7.399  -0.624
   60    HA   ASN  10           HA       ASN  10  -3.560   8.194  -1.129
   61   1HB   ASN  10          2HB       ASN  10  -0.868   8.508  -2.428
   62   2HB   ASN  10          1HB       ASN  10  -2.317   8.792  -3.393
   63   1HD2  ASN  10          1HD2      ASN  10  -2.475  11.057  -3.489
   64   2HD2  ASN  10          2HD2      ASN  10  -2.452  12.076  -2.131
   65    HA   PRO  11           HA       PRO  11  -4.454   4.312  -3.107
   66   1HB   PRO  11          2HB       PRO  11  -6.824   5.050  -4.271
   67   2HB   PRO  11          1HB       PRO  11  -6.666   4.669  -2.545
   68   1HG   PRO  11          2HG       PRO  11  -6.775   7.321  -3.895
   69   2HG   PRO  11          1HG       PRO  11  -7.504   6.800  -2.368
   70   1HD   PRO  11          2HD       PRO  11  -5.230   8.288  -2.502
   71   2HD   PRO  11          1HD       PRO  11  -5.580   7.161  -1.173
   72    H    SER  12           H        SER  12  -4.915   7.343  -4.983
   73    HA   SER  12           HA       SER  12  -4.561   6.074  -7.568
   74   1HB   SER  12          2HB       SER  12  -4.445   8.450  -8.317
   75   2HB   SER  12          1HB       SER  12  -5.800   8.170  -7.228
   76    HG   SER  12           HG       SER  12  -4.900   9.453  -5.820
   77    H    ASN  13           H        ASN  13  -2.421   7.815  -5.332
   78    HA   ASN  13           HA       ASN  13  -0.078   7.121  -7.071
   79   1HB   ASN  13          2HB       ASN  13  -0.757   9.361  -5.168
   80   2HB   ASN  13          1HB       ASN  13   0.929   9.006  -5.542
   81   1HD2  ASN  13          1HD2      ASN  13   1.737   9.685  -7.585
   82   2HD2  ASN  13          2HD2      ASN  13   0.781  10.450  -8.761
   83    H    ASP  14           H        ASP  14  -0.861   4.982  -5.645
   84    HA   ASP  14           HA       ASP  14   0.107   4.861  -2.920
   85   1HB   ASP  14          2HB       ASP  14  -0.302   2.453  -3.209
   86   2HB   ASP  14          1HB       ASP  14  -1.626   3.379  -3.912
   87    H    GLN  15           H        GLN  15   2.168   4.514  -2.196
   88    HA   GLN  15           HA       GLN  15   4.213   3.441  -4.096
   89   1HB   GLN  15          2HB       GLN  15   3.946   6.071  -3.664
   90   2HB   GLN  15          1HB       GLN  15   4.906   5.680  -2.235
   91   1HG   GLN  15          2HG       GLN  15   6.045   4.304  -4.464
   92   2HG   GLN  15          1HG       GLN  15   5.802   5.987  -4.930
   93   1HE2  GLN  15          1HE2      GLN  15   6.998   7.639  -3.761
   94   2HE2  GLN  15          2HE2      GLN  15   8.264   7.244  -2.702
   95    H    CYS  16           H        CYS  16   3.181   1.736  -2.277
   96    HA   CYS  16           HA       CYS  16   4.525   1.848   0.321
   97   1HB   CYS  16          2HB       CYS  16   2.263   0.730  -0.550
   98   2HB   CYS  16          1HB       CYS  16   3.331  -0.642  -0.842
   99    H    CYS  17           H        CYS  17   5.873  -0.176   0.979
  100    HA   CYS  17           HA       CYS  17   8.235  -0.331  -0.644
  101   1HB   CYS  17          2HB       CYS  17   7.175  -2.108   1.579
  102   2HB   CYS  17          1HB       CYS  17   8.836  -2.123   0.990
  103    H    LYS  18           H        LYS  18   8.868  -1.849  -2.174
  104    HA   LYS  18           HA       LYS  18   6.761  -3.598  -3.292
  105   1HB   LYS  18          2HB       LYS  18   8.489  -1.965  -4.442
  106   2HB   LYS  18          1HB       LYS  18   9.572  -3.351  -4.321
  107   1HG   LYS  18          2HG       LYS  18   8.224  -4.685  -5.711
  108   2HG   LYS  18          1HG       LYS  18   6.801  -3.672  -5.460
  109   1HD   LYS  18          2HD       LYS  18   7.517  -3.066  -7.622
  110   2HD   LYS  18          1HD       LYS  18   8.198  -1.802  -6.599
  111   1HE   LYS  18          2HE       LYS  18  10.326  -3.227  -6.477
  112   2HE   LYS  18          1HE       LYS  18   9.631  -4.190  -7.796
  113   1HZ   LYS  18          1HZ       LYS  18   9.350  -2.181  -9.093
  114   2HZ   LYS  18          2HZ       LYS  18  10.979  -2.341  -8.639
  115   3HZ   LYS  18          3HZ       LYS  18   9.974  -1.234  -7.831
  116    H    SER  19           H        SER  19   8.696  -4.126  -0.742
  117    HA   SER  19           HA       SER  19  10.160  -6.521  -1.421
  118   1HB   SER  19          2HB       SER  19  10.427  -4.905   0.554
  119   2HB   SER  19          1HB       SER  19   9.048  -5.724   1.282
  120    HG   SER  19           HG       SER  19  11.652  -6.566   0.927
  121    H    SER  20           H        SER  20   6.935  -5.970   0.044
  122    HA   SER  20           HA       SER  20   6.358  -8.895  -0.289
  123   1HB   SER  20          2HB       SER  20   5.772  -6.815   1.719
  124   2HB   SER  20          1HB       SER  20   4.395  -7.840   1.326
  125    HG   SER  20           HG       SER  20   6.813  -8.454   2.551
  126    H    ASN  21           H        ASN  21   6.050  -6.467  -2.264
  127    HA   ASN  21           HA       ASN  21   4.472  -5.713  -3.851
  128   1HB   ASN  21          2HB       ASN  21   3.665  -8.572  -3.246
  129   2HB   ASN  21          1HB       ASN  21   2.951  -7.643  -4.563
  130   1HD2  ASN  21          1HD2      ASN  21   5.955  -9.167  -3.436
  131   2HD2  ASN  21          2HD2      ASN  21   6.776  -9.040  -4.916
  132    H    LEU  22           H        LEU  22   3.731  -4.306  -1.866
  133    HA   LEU  22           HA       LEU  22   0.922  -5.003  -1.081
  134   1HB   LEU  22          2HB       LEU  22   2.954  -3.099   0.134
  135   2HB   LEU  22          1HB       LEU  22   1.371  -3.477   0.810
  136    HG   LEU  22           HG       LEU  22   3.444  -5.610   0.256
  137   1HD1  LEU  22          1HD1      LEU  22   4.499  -4.168   1.842
  138   2HD1  LEU  22          2HD1      LEU  22   3.802  -5.487   2.782
  139   3HD1  LEU  22          3HD1      LEU  22   2.992  -3.922   2.725
  140   1HD2  LEU  22          1HD2      LEU  22   2.023  -6.704   2.126
  141   2HD2  LEU  22          2HD2      LEU  22   1.301  -6.585   0.521
  142   3HD2  LEU  22          3HD2      LEU  22   0.842  -5.440   1.781
  143    H    VAL  23           H        VAL  23  -0.701  -3.376  -1.292
  144    HA   VAL  23           HA       VAL  23   0.045  -0.930  -2.857
  145    HB   VAL  23           HB       VAL  23  -2.020  -1.379  -4.225
  146   1HG1  VAL  23          1HG1      VAL  23  -0.096  -3.716  -4.290
  147   2HG1  VAL  23          2HG1      VAL  23   0.320  -2.110  -4.891
  148   3HG1  VAL  23          3HG1      VAL  23  -0.992  -3.019  -5.641
  149   1HG2  VAL  23          1HG2      VAL  23  -3.091  -3.559  -4.100
  150   2HG2  VAL  23          2HG2      VAL  23  -3.117  -2.837  -2.491
  151   3HG2  VAL  23          3HG2      VAL  23  -1.943  -4.097  -2.873
  152    H    CYS  24           H        CYS  24  -1.541   0.833  -2.609
  153    HA   CYS  24           HA       CYS  24  -2.659   0.973   0.083
  154   1HB   CYS  24          2HB       CYS  24  -1.837   2.719  -1.979
  155   2HB   CYS  24          1HB       CYS  24  -3.549   3.052  -1.722
  156    H    SER  25           H        SER  25  -4.803   0.780   0.689
  157    HA   SER  25           HA       SER  25  -6.667  -0.473  -1.212
  158   1HB   SER  25          2HB       SER  25  -6.225  -1.022   1.277
  159   2HB   SER  25          1HB       SER  25  -7.193   0.404   1.633
  160    HG   SER  25           HG       SER  25  -8.934  -0.624   1.009
  161    H    ARG  26           H        ARG  26  -8.954   0.387  -1.337
  162    HA   ARG  26           HA       ARG  26  -8.913   3.332  -1.757
  163   1HB   ARG  26          2HB       ARG  26 -10.663   1.015  -2.595
  164   2HB   ARG  26          1HB       ARG  26 -11.171   2.683  -2.854
  165   1HG   ARG  26          2HG       ARG  26  -9.614   3.049  -4.489
  166   2HG   ARG  26          1HG       ARG  26  -8.404   2.031  -3.707
  167   1HD   ARG  26          2HD       ARG  26  -8.899   0.528  -5.357
  168   2HD   ARG  26          1HD       ARG  26 -10.365   0.198  -4.412
  169    HE   ARG  26           HE       ARG  26 -11.431   2.094  -5.761
  170   1HH1  ARG  26          2HH1      ARG  26  -9.009   2.944  -7.267
  171   2HH1  ARG  26          1HH1      ARG  26  -9.182   2.100  -8.769
  172   1HH2  ARG  26          1HH2      ARG  26 -11.536  -0.144  -7.541
  173   2HH2  ARG  26          2HH2      ARG  26 -10.617   0.346  -8.925
  174    H    LYS  27           H        LYS  27 -10.728   0.841   0.049
  175    HA   LYS  27           HA       LYS  27 -12.588   2.742   1.248
  176   1HB   LYS  27          2HB       LYS  27 -11.820  -0.126   1.887
  177   2HB   LYS  27          1HB       LYS  27 -13.199   0.717   2.592
  178   1HG   LYS  27          2HG       LYS  27 -12.842   0.452  -0.399
  179   2HG   LYS  27          1HG       LYS  27 -13.686  -0.768   0.554
  180   1HD   LYS  27          2HD       LYS  27 -15.401   0.723   1.175
  181   2HD   LYS  27          1HD       LYS  27 -14.438   2.143   0.768
  182   1HE   LYS  27          2HE       LYS  27 -15.369   2.147  -1.297
  183   2HE   LYS  27          1HE       LYS  27 -14.661   0.549  -1.601
  184   1HZ   LYS  27          1HZ       LYS  27 -17.076   0.451  -1.728
  185   2HZ   LYS  27          2HZ       LYS  27 -17.207   1.076  -0.153
  186   3HZ   LYS  27          3HZ       LYS  27 -16.517  -0.455  -0.407
  187    H    HIS  28           H        HIS  28  -9.625   1.084   2.301
  188    HA   HIS  28           HA       HIS  28  -9.695   2.455   4.932
  189   1HB   HIS  28          2HB       HIS  28  -7.895   0.387   3.635
  190   2HB   HIS  28          1HB       HIS  28  -7.647   1.000   5.269
  191    HD1  HIS  28           HD1      HIS  28 -10.313   1.001   6.536
  192    HD2  HIS  28           HD2      HIS  28  -9.209  -2.024   3.887
  193    HE1  HIS  28           HE1      HIS  28 -11.822  -0.971   7.031
  194    H    ALA  29           H        ALA  29  -8.170   2.782   1.806
  195    HA   ALA  29           HA       ALA  29  -6.612   4.343   0.980
  196   1HB   ALA  29          1HB       ALA  29  -7.076   5.889   3.526
  197   2HB   ALA  29          2HB       ALA  29  -8.375   5.708   2.348
  198   3HB   ALA  29          3HB       ALA  29  -6.870   6.500   1.885
  199    H    TRP  30           H        TRP  30  -5.521   2.140   2.438
  200    HA   TRP  30           HA       TRP  30  -2.989   3.375   3.371
  201   1HB   TRP  30          2HB       TRP  30  -3.082   2.403   5.519
  202   2HB   TRP  30          1HB       TRP  30  -4.727   2.966   5.262
  203    HD1  TRP  30           HD1      TRP  30  -5.630   0.524   3.344
  204    HE1  TRP  30           HE1      TRP  30  -6.080  -1.774   4.413
  205    HE3  TRP  30           HE3      TRP  30  -3.014   1.054   7.691
  206    HZ2  TRP  30           HZ2      TRP  30  -5.423  -3.200   6.805
  207    HZ3  TRP  30           HZ3      TRP  30  -2.946  -0.784   9.349
  208    HH2  TRP  30           HH2      TRP  30  -4.145  -2.910   8.912
  209    H    CYS  31           H        CYS  31  -1.234   1.705   3.546
  210    HA   CYS  31           HA       CYS  31  -1.149  -0.005   1.257
  211   1HB   CYS  31          2HB       CYS  31   0.750   1.054   2.570
  212   2HB   CYS  31          1HB       CYS  31   0.514  -0.207   3.781
  213    H    LYS  32           H        LYS  32  -1.673  -2.142   0.991
  214    HA   LYS  32           HA       LYS  32  -2.213  -3.864   3.353
  215   1HB   LYS  32          2HB       LYS  32  -4.448  -4.445   2.381
  216   2HB   LYS  32          1HB       LYS  32  -4.337  -2.750   2.851
  217   1HG   LYS  32          2HG       LYS  32  -4.439  -2.003   0.690
  218   2HG   LYS  32          1HG       LYS  32  -3.518  -3.371   0.064
  219   1HD   LYS  32          2HD       LYS  32  -5.582  -4.802   0.549
  220   2HD   LYS  32          1HD       LYS  32  -6.453  -3.286   0.786
  221   1HE   LYS  32          2HE       LYS  32  -5.990  -2.578  -1.484
  222   2HE   LYS  32          1HE       LYS  32  -4.895  -3.951  -1.737
  223   1HZ   LYS  32          1HZ       LYS  32  -6.734  -5.461  -1.314
  224   2HZ   LYS  32          2HZ       LYS  32  -7.113  -4.424  -2.605
  225   3HZ   LYS  32          3HZ       LYS  32  -7.787  -4.153  -1.070
  226    H    TYR  33           H        TYR  33  -2.810  -6.178   2.435
  227    HA   TYR  33           HA       TYR  33  -0.715  -6.872   0.479
  228   1HB   TYR  33          2HB       TYR  33  -1.972  -8.048   2.716
  229   2HB   TYR  33          1HB       TYR  33  -2.430  -9.048   1.338
  230    HD1  TYR  33           HD1      TYR  33  -0.478  -9.643  -0.339
  231    HD2  TYR  33           HD2      TYR  33   0.108  -8.390   3.729
  232    HE1  TYR  33           HE1      TYR  33   1.787 -10.650  -0.354
  233    HE2  TYR  33           HE2      TYR  33   2.372  -9.397   3.714
  234    HH   TYR  33           HH       TYR  33   4.052 -10.103   1.121
  235    H    GLU  34           H        GLU  34  -1.096  -7.251  -1.656
  236    HA   GLU  34           HA       GLU  34  -3.822  -7.015  -2.735
  237   1HB   GLU  34          2HB       GLU  34  -2.642  -6.986  -4.867
  238   2HB   GLU  34          1HB       GLU  34  -1.754  -5.979  -3.726
  239   1HG   GLU  34          2HG       GLU  34  -0.124  -7.713  -3.345
  240   2HG   GLU  34          1HG       GLU  34  -1.082  -8.889  -4.245
  241    H    ILE  35           H        ILE  35  -4.279  -8.700  -4.634
  242    HA   ILE  35           HA       ILE  35  -4.461 -11.343  -3.393
  243    HB   ILE  35           HB       ILE  35  -5.663 -11.856  -5.534
  244   1HG1  ILE  35          2HG1      ILE  35  -5.695  -9.053  -6.414
  245   2HG1  ILE  35          1HG1      ILE  35  -4.113  -9.812  -6.578
  246   1HG2  ILE  35          1HG2      ILE  35  -7.560 -10.493  -5.052
  247   2HG2  ILE  35          2HG2      ILE  35  -6.553  -9.198  -4.404
  248   3HG2  ILE  35          3HG2      ILE  35  -6.722 -10.712  -3.515
  249   1HD1  ILE  35          1HD1      ILE  35  -4.903 -11.453  -8.048
  250   2HD1  ILE  35          2HD1      ILE  35  -5.844 -10.042  -8.532
  251   3HD1  ILE  35          3HD1      ILE  35  -6.571 -11.275  -7.503
  252   1HN   NH2  36          1HN       NH2  36  -1.229 -11.292  -5.944
  253   2HN   NH2  36          2HN       NH2  36  -2.383  -9.955  -6.137
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1  10.202   9.452  -0.830
    2   2H    GLU   1          2H        GLU   1  10.430  10.632   0.370
    3   3H    GLU   1          3H        GLU   1   8.863  10.267  -0.178
    4    HA   GLU   1           HA       GLU   1  10.654   8.422   1.332
    5   1HB   GLU   1          2HB       GLU   1   9.524  10.530   2.382
    6   2HB   GLU   1          1HB       GLU   1   8.022   9.623   2.192
    7   1HG   GLU   1          2HG       GLU   1   8.616   8.039   3.762
    8   2HG   GLU   1          1HG       GLU   1  10.342   8.217   3.445
    9    H    CYS   2           H        CYS   2   9.958   6.294   1.332
   10    HA   CYS   2           HA       CYS   2   7.494   5.658  -0.253
   11   1HB   CYS   2          2HB       CYS   2   9.761   4.876  -1.028
   12   2HB   CYS   2          1HB       CYS   2   9.885   3.926   0.453
   13    H    LEU   3           H        LEU   3   6.034   4.067   0.591
   14    HA   LEU   3           HA       LEU   3   6.133   3.768   3.562
   15   1HB   LEU   3          2HB       LEU   3   3.937   3.423   1.489
   16   2HB   LEU   3          1HB       LEU   3   3.707   3.237   3.227
   17    HG   LEU   3           HG       LEU   3   4.815   5.774   1.999
   18   1HD1  LEU   3          1HD1      LEU   3   2.478   5.154   1.176
   19   2HD1  LEU   3          2HD1      LEU   3   2.611   6.705   2.006
   20   3HD1  LEU   3          3HD1      LEU   3   1.948   5.305   2.851
   21   1HD2  LEU   3          1HD2      LEU   3   4.063   6.726   4.170
   22   2HD2  LEU   3          2HD2      LEU   3   5.247   5.439   4.397
   23   3HD2  LEU   3          3HD2      LEU   3   3.535   5.121   4.675
   24    H    GLY   4           H        GLY   4   6.561   1.761   4.428
   25   1HA   GLY   4          2HA       GLY   4   7.088  -0.506   2.660
   26   2HA   GLY   4          1HA       GLY   4   7.239  -0.507   4.417
   27    H    PHE   5           H        PHE   5   6.142  -2.630   4.330
   28    HA   PHE   5           HA       PHE   5   3.397  -2.833   3.373
   29   1HB   PHE   5          2HB       PHE   5   4.849  -4.770   3.425
   30   2HB   PHE   5          1HB       PHE   5   5.179  -4.539   5.142
   31    HD1  PHE   5           HD1      PHE   5   2.226  -4.936   2.843
   32    HD2  PHE   5           HD2      PHE   5   3.985  -5.837   6.658
   33    HE1  PHE   5           HE1      PHE   5   0.261  -6.332   3.419
   34    HE2  PHE   5           HE2      PHE   5   2.018  -7.232   7.233
   35    HZ   PHE   5           HZ       PHE   5   0.156  -7.479   5.613
   36    H    GLY   6           H        GLY   6   1.506  -2.591   4.560
   37   1HA   GLY   6          2HA       GLY   6   0.099  -2.182   6.403
   38   2HA   GLY   6          1HA       GLY   6   1.468  -2.505   7.466
   39    H    LYS   7           H        LYS   7   0.954  -0.054   4.912
   40    HA   LYS   7           HA       LYS   7   1.473   2.071   6.968
   41   1HB   LYS   7          2HB       LYS   7   2.597   1.580   4.210
   42   2HB   LYS   7          1HB       LYS   7   2.594   3.203   4.898
   43   1HG   LYS   7          2HG       LYS   7   3.551   1.227   6.815
   44   2HG   LYS   7          1HG       LYS   7   4.519   1.227   5.341
   45   1HD   LYS   7          2HD       LYS   7   5.319   3.342   5.703
   46   2HD   LYS   7          1HD       LYS   7   3.810   3.898   6.428
   47   1HE   LYS   7          2HE       LYS   7   4.337   2.836   8.534
   48   2HE   LYS   7          1HE       LYS   7   5.737   2.008   7.824
   49   1HZ   LYS   7          1HZ       LYS   7   5.382   4.959   7.963
   50   2HZ   LYS   7          2HZ       LYS   7   6.729   4.142   7.322
   51   3HZ   LYS   7          3HZ       LYS   7   6.388   4.052   8.984
   52    H    GLY   8           H        GLY   8  -0.393   3.264   7.126
   53   1HA   GLY   8          2HA       GLY   8  -2.544   3.220   5.276
   54   2HA   GLY   8          1HA       GLY   8  -2.312   4.459   6.506
   55    H    CYS   9           H        CYS   9  -2.584   4.025   3.247
   56    HA   CYS   9           HA       CYS   9  -1.204   6.617   2.689
   57   1HB   CYS   9          2HB       CYS   9   0.207   5.627   1.205
   58   2HB   CYS   9          1HB       CYS   9  -0.231   4.117   1.996
   59    H    ASN  10           H        ASN  10  -1.910   7.183   0.205
   60    HA   ASN  10           HA       ASN  10  -4.867   7.261   0.272
   61   1HB   ASN  10          2HB       ASN  10  -2.689   8.563  -1.382
   62   2HB   ASN  10          1HB       ASN  10  -4.402   8.815  -1.713
   63   1HD2  ASN  10          1HD2      ASN  10  -1.775   9.648   0.452
   64   2HD2  ASN  10          2HD2      ASN  10  -2.665  10.707   1.436
   65    HA   PRO  11           HA       PRO  11  -5.263   3.958  -2.653
   66   1HB   PRO  11          2HB       PRO  11  -7.825   4.479  -3.484
   67   2HB   PRO  11          1HB       PRO  11  -7.445   3.732  -1.920
   68   1HG   PRO  11          2HG       PRO  11  -8.147   6.555  -2.546
   69   2HG   PRO  11          1HG       PRO  11  -8.625   5.552  -1.168
   70   1HD   PRO  11          2HD       PRO  11  -6.675   7.443  -1.029
   71   2HD   PRO  11          1HD       PRO  11  -6.694   5.986  -0.010
   72    H    SER  12           H        SER  12  -6.398   7.215  -3.658
   73    HA   SER  12           HA       SER  12  -6.118   6.744  -6.498
   74   1HB   SER  12          2HB       SER  12  -6.344   9.218  -6.583
   75   2HB   SER  12          1HB       SER  12  -7.526   8.508  -5.489
   76    HG   SER  12           HG       SER  12  -6.635   9.589  -3.927
   77    H    ASN  13           H        ASN  13  -3.984   8.053  -3.988
   78    HA   ASN  13           HA       ASN  13  -1.720   8.097  -5.959
   79   1HB   ASN  13          2HB       ASN  13  -2.439   9.749  -3.528
   80   2HB   ASN  13          1HB       ASN  13  -0.796   9.735  -4.167
   81   1HD2  ASN  13          1HD2      ASN  13  -0.446  10.656  -6.335
   82   2HD2  ASN  13          2HD2      ASN  13  -1.613  11.655  -7.056
   83    H    ASP  14           H        ASP  14  -1.762   5.673  -5.318
   84    HA   ASP  14           HA       ASP  14  -1.065   4.794  -2.683
   85   1HB   ASP  14          2HB       ASP  14  -1.953   3.239  -4.255
   86   2HB   ASP  14          1HB       ASP  14  -0.760   3.678  -5.478
   87    H    GLN  15           H        GLN  15   0.827   5.092  -1.603
   88    HA   GLN  15           HA       GLN  15   3.319   5.639  -3.183
   89   1HB   GLN  15          2HB       GLN  15   2.075   7.313  -1.513
   90   2HB   GLN  15          1HB       GLN  15   2.979   6.398  -0.306
   91   1HG   GLN  15          2HG       GLN  15   5.079   6.897  -1.423
   92   2HG   GLN  15          1HG       GLN  15   4.227   7.686  -2.750
   93   1HE2  GLN  15          1HE2      GLN  15   5.335   8.087   0.568
   94   2HE2  GLN  15          2HE2      GLN  15   4.876   9.714   0.723
   95    H    CYS  16           H        CYS  16   2.252   2.955  -2.369
   96    HA   CYS  16           HA       CYS  16   3.899   2.040  -0.121
   97   1HB   CYS  16          2HB       CYS  16   2.213   0.646  -2.230
   98   2HB   CYS  16          1HB       CYS  16   2.968  -0.184  -0.870
   99    H    CYS  17           H        CYS  17   5.777   0.726  -0.307
  100    HA   CYS  17           HA       CYS  17   7.516   1.235  -2.549
  101   1HB   CYS  17          2HB       CYS  17   7.513  -0.227   0.021
  102   2HB   CYS  17          1HB       CYS  17   8.609  -0.888  -1.190
  103    H    LYS  18           H        LYS  18   7.943  -0.023  -4.360
  104    HA   LYS  18           HA       LYS  18   6.102  -2.272  -4.924
  105   1HB   LYS  18          2HB       LYS  18   7.161  -0.169  -6.360
  106   2HB   LYS  18          1HB       LYS  18   8.152  -1.524  -6.902
  107   1HG   LYS  18          2HG       LYS  18   5.814  -2.753  -7.070
  108   2HG   LYS  18          1HG       LYS  18   5.198  -1.103  -7.184
  109   1HD   LYS  18          2HD       LYS  18   5.751  -1.110  -9.366
  110   2HD   LYS  18          1HD       LYS  18   7.446  -1.202  -8.890
  111   1HE   LYS  18          2HE       LYS  18   5.806  -3.726  -8.927
  112   2HE   LYS  18          1HE       LYS  18   6.455  -3.083 -10.448
  113   1HZ   LYS  18          1HZ       LYS  18   8.003  -3.662  -7.974
  114   2HZ   LYS  18          2HZ       LYS  18   8.642  -2.921  -9.364
  115   3HZ   LYS  18          3HZ       LYS  18   8.083  -4.524  -9.433
  116    H    SER  19           H        SER  19   8.731  -2.339  -3.113
  117    HA   SER  19           HA       SER  19  10.512  -4.201  -4.446
  118   1HB   SER  19          2HB       SER  19  10.803  -2.587  -2.382
  119   2HB   SER  19          1HB       SER  19  10.180  -3.954  -1.461
  120    HG   SER  19           HG       SER  19  12.191  -4.584  -1.539
  121    H    SER  20           H        SER  20   7.819  -4.560  -2.125
  122    HA   SER  20           HA       SER  20   7.877  -7.522  -2.614
  123   1HB   SER  20          2HB       SER  20   7.084  -5.818  -0.238
  124   2HB   SER  20          1HB       SER  20   6.694  -7.531  -0.343
  125    HG   SER  20           HG       SER  20   8.724  -8.008   0.005
  126    H    ASN  21           H        ASN  21   6.500  -5.488  -4.290
  127    HA   ASN  21           HA       ASN  21   4.396  -5.093  -5.269
  128   1HB   ASN  21          2HB       ASN  21   4.310  -7.906  -4.181
  129   2HB   ASN  21          1HB       ASN  21   2.921  -7.237  -5.038
  130   1HD2  ASN  21          1HD2      ASN  21   6.388  -8.044  -5.422
  131   2HD2  ASN  21          2HD2      ASN  21   6.352  -8.080  -7.118
  132    H    LEU  22           H        LEU  22   4.263  -3.482  -3.289
  133    HA   LEU  22           HA       LEU  22   2.049  -4.256  -1.431
  134   1HB   LEU  22          2HB       LEU  22   4.105  -2.020  -1.424
  135   2HB   LEU  22          1HB       LEU  22   2.873  -2.236  -0.183
  136    HG   LEU  22           HG       LEU  22   4.786  -4.458  -0.911
  137   1HD1  LEU  22          1HD1      LEU  22   6.238  -2.670  -0.247
  138   2HD1  LEU  22          2HD1      LEU  22   6.048  -3.702   1.170
  139   3HD1  LEU  22          3HD1      LEU  22   5.154  -2.186   1.057
  140   1HD2  LEU  22          1HD2      LEU  22   4.202  -5.206   1.386
  141   2HD2  LEU  22          2HD2      LEU  22   2.770  -5.059   0.367
  142   3HD2  LEU  22          3HD2      LEU  22   3.138  -3.810   1.556
  143    H    VAL  23           H        VAL  23   0.053  -3.340  -1.714
  144    HA   VAL  23           HA       VAL  23  -0.163  -0.853  -3.377
  145    HB   VAL  23           HB       VAL  23  -2.234  -1.941  -4.358
  146   1HG1  VAL  23          1HG1      VAL  23   0.302  -3.530  -4.821
  147   2HG1  VAL  23          2HG1      VAL  23   0.042  -1.907  -5.462
  148   3HG1  VAL  23          3HG1      VAL  23  -1.003  -3.233  -5.970
  149   1HG2  VAL  23          1HG2      VAL  23  -2.550  -4.324  -4.100
  150   2HG2  VAL  23          2HG2      VAL  23  -2.453  -3.630  -2.482
  151   3HG2  VAL  23          3HG2      VAL  23  -1.062  -4.473  -3.164
  152    H    CYS  24           H        CYS  24  -1.839   0.572  -2.726
  153    HA   CYS  24           HA       CYS  24  -2.750   0.285   0.038
  154   1HB   CYS  24          2HB       CYS  24  -2.338   2.342  -1.891
  155   2HB   CYS  24          1HB       CYS  24  -4.024   2.431  -1.385
  156    H    SER  25           H        SER  25  -4.573  -0.820   0.592
  157    HA   SER  25           HA       SER  25  -6.565  -1.573  -1.451
  158   1HB   SER  25          2HB       SER  25  -6.123  -2.126   1.493
  159   2HB   SER  25          1HB       SER  25  -7.548  -2.716   0.641
  160    HG   SER  25           HG       SER  25  -6.285  -4.289   0.056
  161    H    ARG  26           H        ARG  26  -8.976  -1.360  -0.629
  162    HA   ARG  26           HA       ARG  26  -9.424   1.515   0.007
  163   1HB   ARG  26          2HB       ARG  26 -10.550  -0.423  -1.733
  164   2HB   ARG  26          1HB       ARG  26 -11.800  -0.033  -0.550
  165   1HG   ARG  26          2HG       ARG  26 -10.807   2.456  -1.108
  166   2HG   ARG  26          1HG       ARG  26 -10.622   1.655  -2.670
  167   1HD   ARG  26          2HD       ARG  26 -12.879   1.563  -3.023
  168   2HD   ARG  26          1HD       ARG  26 -13.220   1.159  -1.328
  169    HE   ARG  26           HE       ARG  26 -12.495   3.934  -2.204
  170   1HH1  ARG  26          2HH1      ARG  26 -12.580   3.135   0.745
  171   2HH1  ARG  26          1HH1      ARG  26 -14.161   3.685   1.193
  172   1HH2  ARG  26          1HH2      ARG  26 -15.267   4.020  -2.082
  173   2HH2  ARG  26          2HH2      ARG  26 -15.683   4.187  -0.409
  174    H    LYS  27           H        LYS  27 -10.288  -1.742   1.187
  175    HA   LYS  27           HA       LYS  27 -12.015  -0.857   3.327
  176   1HB   LYS  27          2HB       LYS  27 -11.860  -3.138   2.222
  177   2HB   LYS  27          1HB       LYS  27 -10.369  -3.395   3.127
  178   1HG   LYS  27          2HG       LYS  27 -11.460  -3.637   5.127
  179   2HG   LYS  27          1HG       LYS  27 -12.716  -2.473   4.703
  180   1HD   LYS  27          2HD       LYS  27 -12.587  -5.092   3.237
  181   2HD   LYS  27          1HD       LYS  27 -13.306  -5.037   4.847
  182   1HE   LYS  27          2HE       LYS  27 -14.768  -3.122   4.018
  183   2HE   LYS  27          1HE       LYS  27 -14.183  -3.494   2.384
  184   1HZ   LYS  27          1HZ       LYS  27 -15.467  -5.427   4.246
  185   2HZ   LYS  27          2HZ       LYS  27 -14.885  -5.790   2.691
  186   3HZ   LYS  27          3HZ       LYS  27 -16.203  -4.737   2.883
  187    H    HIS  28           H        HIS  28  -8.549  -1.635   3.146
  188    HA   HIS  28           HA       HIS  28  -8.189  -0.900   6.011
  189   1HB   HIS  28          2HB       HIS  28  -6.406  -2.153   3.899
  190   2HB   HIS  28          1HB       HIS  28  -5.890  -1.831   5.554
  191    HD1  HIS  28           HD1      HIS  28  -7.357  -3.071   7.471
  192    HD2  HIS  28           HD2      HIS  28  -7.812  -4.531   3.593
  193    HE1  HIS  28           HE1      HIS  28  -8.433  -5.354   7.687
  194    H    ALA  29           H        ALA  29  -7.527   0.284   2.764
  195    HA   ALA  29           HA       ALA  29  -6.586   2.303   2.001
  196   1HB   ALA  29          1HB       ALA  29  -6.866   3.301   4.831
  197   2HB   ALA  29          2HB       ALA  29  -8.301   2.942   3.870
  198   3HB   ALA  29          3HB       ALA  29  -7.155   4.166   3.322
  199    H    TRP  30           H        TRP  30  -4.730   0.273   2.883
  200    HA   TRP  30           HA       TRP  30  -2.409   2.007   3.499
  201   1HB   TRP  30          2HB       TRP  30  -1.829   0.874   5.499
  202   2HB   TRP  30          1HB       TRP  30  -3.561   1.130   5.629
  203    HD1  TRP  30           HD1      TRP  30  -4.058  -1.417   3.459
  204    HE1  TRP  30           HE1      TRP  30  -3.989  -3.780   4.476
  205    HE3  TRP  30           HE3      TRP  30  -1.571  -0.429   7.801
  206    HZ2  TRP  30           HZ2      TRP  30  -3.013  -5.084   6.825
  207    HZ3  TRP  30           HZ3      TRP  30  -1.089  -2.247   9.414
  208    HH2  TRP  30           HH2      TRP  30  -1.805  -4.570   8.934
  209    H    CYS  31           H        CYS  31  -0.317   0.578   3.430
  210    HA   CYS  31           HA       CYS  31  -0.206  -0.768   0.893
  211   1HB   CYS  31          2HB       CYS  31   1.678  -0.760   3.276
  212   2HB   CYS  31          1HB       CYS  31   2.108  -1.324   1.664
  213    H    LYS  32           H        LYS  32  -1.087  -2.745   0.500
  214    HA   LYS  32           HA       LYS  32  -0.912  -4.853   2.634
  215   1HB   LYS  32          2HB       LYS  32  -3.178  -3.682   1.976
  216   2HB   LYS  32          1HB       LYS  32  -3.085  -4.719   0.553
  217   1HG   LYS  32          2HG       LYS  32  -3.031  -6.709   1.914
  218   2HG   LYS  32          1HG       LYS  32  -2.853  -5.759   3.389
  219   1HD   LYS  32          2HD       LYS  32  -5.084  -5.506   3.565
  220   2HD   LYS  32          1HD       LYS  32  -5.187  -4.886   1.917
  221   1HE   LYS  32          2HE       LYS  32  -5.351  -7.120   1.002
  222   2HE   LYS  32          1HE       LYS  32  -4.995  -7.846   2.581
  223   1HZ   LYS  32          1HZ       LYS  32  -7.396  -7.758   2.127
  224   2HZ   LYS  32          2HZ       LYS  32  -7.309  -6.066   2.007
  225   3HZ   LYS  32          3HZ       LYS  32  -6.974  -6.836   3.485
  226    H    TYR  33           H        TYR  33  -0.944  -7.106   1.677
  227    HA   TYR  33           HA       TYR  33   0.985  -7.378  -0.462
  228   1HB   TYR  33          2HB       TYR  33   0.423  -8.897   1.566
  229   2HB   TYR  33          1HB       TYR  33  -0.883  -9.523   0.559
  230    HD1  TYR  33           HD1      TYR  33   2.807  -9.013   0.697
  231    HD2  TYR  33           HD2      TYR  33  -0.454 -11.074  -1.188
  232    HE1  TYR  33           HE1      TYR  33   4.418 -10.485  -0.479
  233    HE2  TYR  33           HE2      TYR  33   1.155 -12.548  -2.365
  234    HH   TYR  33           HH       TYR  33   3.962 -13.190  -1.587
  235    H    GLU  34           H        GLU  34   0.635  -8.167  -2.603
  236    HA   GLU  34           HA       GLU  34  -1.827  -7.332  -3.892
  237   1HB   GLU  34          2HB       GLU  34   0.485  -7.306  -4.863
  238   2HB   GLU  34          1HB       GLU  34   0.453  -9.069  -4.897
  239   1HG   GLU  34          2HG       GLU  34  -1.947  -8.012  -6.118
  240   2HG   GLU  34          1HG       GLU  34  -0.518  -7.311  -6.881
  241    H    ILE  35           H        ILE  35  -3.667  -8.533  -4.175
  242    HA   ILE  35           HA       ILE  35  -3.696 -11.372  -3.324
  243    HB   ILE  35           HB       ILE  35  -5.827  -9.374  -4.164
  244   1HG1  ILE  35          2HG1      ILE  35  -5.682 -10.562  -1.436
  245   2HG1  ILE  35          1HG1      ILE  35  -4.414  -9.411  -1.855
  246   1HG2  ILE  35          1HG2      ILE  35  -7.379 -11.124  -3.118
  247   2HG2  ILE  35          2HG2      ILE  35  -6.029 -12.252  -3.249
  248   3HG2  ILE  35          3HG2      ILE  35  -6.715 -11.526  -4.702
  249   1HD1  ILE  35          1HD1      ILE  35  -7.315  -8.779  -2.380
  250   2HD1  ILE  35          2HD1      ILE  35  -5.956  -7.664  -2.234
  251   3HD1  ILE  35          3HD1      ILE  35  -6.589  -8.474  -0.801
  252   1HN   NH2  36          1HN       NH2  36  -4.251 -13.042  -6.363
  253   2HN   NH2  36          2HN       NH2  36  -4.670 -13.038  -4.636
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1  13.525   6.916   1.343
    2   2H    GLU   1          2H        GLU   1  12.348   6.727   0.132
    3   3H    GLU   1          3H        GLU   1  13.220   5.381   0.691
    4    HA   GLU   1           HA       GLU   1  12.199   5.622   2.897
    5   1HB   GLU   1          2HB       GLU   1  11.187   8.040   1.441
    6   2HB   GLU   1          1HB       GLU   1  10.153   7.322   2.675
    7   1HG   GLU   1          2HG       GLU   1  11.856   7.578   4.362
    8   2HG   GLU   1          1HG       GLU   1  13.052   8.058   3.157
    9    H    CYS   2           H        CYS   2  11.087   3.706   2.805
   10    HA   CYS   2           HA       CYS   2   9.050   3.329   0.636
   11   1HB   CYS   2          2HB       CYS   2  11.072   1.813   0.799
   12   2HB   CYS   2          1HB       CYS   2  10.462   1.268   2.362
   13    H    LEU   3           H        LEU   3   6.994   2.470   1.217
   14    HA   LEU   3           HA       LEU   3   6.208   2.985   4.045
   15   1HB   LEU   3          2HB       LEU   3   4.705   2.648   1.432
   16   2HB   LEU   3          1HB       LEU   3   3.912   2.922   2.984
   17    HG   LEU   3           HG       LEU   3   6.042   4.767   1.869
   18   1HD1  LEU   3          1HD1      LEU   3   4.167   4.803   0.323
   19   2HD1  LEU   3          2HD1      LEU   3   4.107   6.267   1.304
   20   3HD1  LEU   3          3HD1      LEU   3   3.019   4.925   1.656
   21   1HD2  LEU   3          1HD2      LEU   3   5.725   4.923   4.282
   22   2HD2  LEU   3          2HD2      LEU   3   3.975   5.012   4.082
   23   3HD2  LEU   3          3HD2      LEU   3   4.995   6.339   3.526
   24    H    GLY   4           H        GLY   4   5.868   1.272   5.388
   25   1HA   GLY   4          2HA       GLY   4   5.998  -1.465   4.385
   26   2HA   GLY   4          1HA       GLY   4   5.785  -0.987   6.069
   27    H    PHE   5           H        PHE   5   4.037  -2.394   6.480
   28    HA   PHE   5           HA       PHE   5   1.649  -2.323   4.748
   29   1HB   PHE   5          2HB       PHE   5   2.361  -4.434   5.671
   30   2HB   PHE   5          1HB       PHE   5   2.429  -3.763   7.300
   31    HD1  PHE   5           HD1      PHE   5  -0.105  -3.795   4.513
   32    HD2  PHE   5           HD2      PHE   5   0.710  -4.499   8.673
   33    HE1  PHE   5           HE1      PHE   5  -2.479  -4.405   4.877
   34    HE2  PHE   5           HE2      PHE   5  -1.666  -5.110   9.034
   35    HZ   PHE   5           HZ       PHE   5  -3.260  -5.062   7.135
   36    H    GLY   6           H        GLY   6  -0.289  -1.318   5.274
   37   1HA   GLY   6          2HA       GLY   6  -1.822   0.032   6.423
   38   2HA   GLY   6          1HA       GLY   6  -0.923  -0.299   7.903
   39    H    LYS   7           H        LYS   7   0.378   1.156   4.939
   40    HA   LYS   7           HA       LYS   7   0.929   3.661   6.500
   41   1HB   LYS   7          2HB       LYS   7   2.462   2.164   4.355
   42   2HB   LYS   7          1HB       LYS   7   2.893   3.794   4.872
   43   1HG   LYS   7          2HG       LYS   7   2.495   1.760   7.014
   44   2HG   LYS   7          1HG       LYS   7   3.946   1.609   6.026
   45   1HD   LYS   7          2HD       LYS   7   4.263   4.145   6.474
   46   2HD   LYS   7          1HD       LYS   7   3.102   3.910   7.781
   47   1HE   LYS   7          2HE       LYS   7   5.465   2.051   7.542
   48   2HE   LYS   7          1HE       LYS   7   5.653   3.634   8.321
   49   1HZ   LYS   7          1HZ       LYS   7   3.730   3.122   9.718
   50   2HZ   LYS   7          2HZ       LYS   7   4.968   1.980   9.939
   51   3HZ   LYS   7          3HZ       LYS   7   3.604   1.588   9.005
   52    H    GLY   8           H        GLY   8  -0.059   5.466   5.678
   53   1HA   GLY   8          2HA       GLY   8  -1.910   5.544   3.613
   54   2HA   GLY   8          1HA       GLY   8  -1.003   6.964   4.124
   55    H    CYS   9           H        CYS   9  -1.832   5.504   1.432
   56    HA   CYS   9           HA       CYS   9   0.620   6.314  -0.035
   57   1HB   CYS   9          2HB       CYS   9   1.001   3.977   0.479
   58   2HB   CYS   9          1HB       CYS   9  -0.642   3.552   0.003
   59    H    ASN  10           H        ASN  10   0.150   6.668  -2.333
   60    HA   ASN  10           HA       ASN  10  -2.684   7.360  -2.832
   61   1HB   ASN  10          2HB       ASN  10  -0.010   7.867  -4.129
   62   2HB   ASN  10          1HB       ASN  10  -1.498   8.217  -5.009
   63   1HD2  ASN  10          1HD2      ASN  10   0.429   9.140  -2.169
   64   2HD2  ASN  10          2HD2      ASN  10  -0.411  10.582  -1.856
   65    HA   PRO  11           HA       PRO  11  -3.459   3.661  -5.135
   66   1HB   PRO  11          2HB       PRO  11  -5.596   4.536  -6.614
   67   2HB   PRO  11          1HB       PRO  11  -5.711   4.123  -4.892
   68   1HG   PRO  11          2HG       PRO  11  -5.472   6.798  -6.183
   69   2HG   PRO  11          1HG       PRO  11  -6.466   6.295  -4.806
   70   1HD   PRO  11          2HD       PRO  11  -4.138   7.655  -4.517
   71   2HD   PRO  11          1HD       PRO  11  -4.734   6.494  -3.309
   72    H    SER  12           H        SER  12  -3.448   6.754  -6.954
   73    HA   SER  12           HA       SER  12  -2.840   5.548  -9.519
   74   1HB   SER  12          2HB       SER  12  -2.690   8.327  -8.335
   75   2HB   SER  12          1HB       SER  12  -2.246   8.006 -10.008
   76    HG   SER  12           HG       SER  12  -4.286   7.799 -10.482
   77    H    ASN  13           H        ASN  13  -0.865   7.341  -7.144
   78    HA   ASN  13           HA       ASN  13   1.618   6.376  -8.493
   79   1HB   ASN  13          2HB       ASN  13   0.774   8.675  -6.792
   80   2HB   ASN  13          1HB       ASN  13   2.430   8.111  -6.570
   81   1HD2  ASN  13          1HD2      ASN  13   3.959   8.669  -8.178
   82   2HD2  ASN  13          2HD2      ASN  13   3.560   9.468  -9.622
   83    H    ASP  14           H        ASP  14   0.411   4.292  -7.249
   84    HA   ASP  14           HA       ASP  14   1.023   3.996  -4.442
   85   1HB   ASP  14          2HB       ASP  14   0.452   1.617  -4.904
   86   2HB   ASP  14          1HB       ASP  14  -0.731   2.725  -5.592
   87    H    GLN  15           H        GLN  15   3.037   3.818  -3.609
   88    HA   GLN  15           HA       GLN  15   5.098   2.250  -5.112
   89   1HB   GLN  15          2HB       GLN  15   5.192   5.058  -4.003
   90   2HB   GLN  15          1HB       GLN  15   6.676   4.129  -4.220
   91   1HG   GLN  15          2HG       GLN  15   6.406   4.005  -6.556
   92   2HG   GLN  15          1HG       GLN  15   4.686   4.386  -6.469
   93   1HE2  GLN  15          1HE2      GLN  15   7.817   5.760  -6.907
   94   2HE2  GLN  15          2HE2      GLN  15   7.357   7.391  -6.813
   95    H    CYS  16           H        CYS  16   3.674   1.089  -3.065
   96    HA   CYS  16           HA       CYS  16   4.910   1.500  -0.447
   97   1HB   CYS  16          2HB       CYS  16   2.662   0.180  -1.611
   98   2HB   CYS  16          1HB       CYS  16   3.590  -1.040  -0.741
   99    H    CYS  17           H        CYS  17   5.796  -0.664   0.640
  100    HA   CYS  17           HA       CYS  17   8.233  -1.391  -0.747
  101   1HB   CYS  17          2HB       CYS  17   6.871  -1.877   1.829
  102   2HB   CYS  17          1HB       CYS  17   7.929  -3.189   1.313
  103    H    LYS  18           H        LYS  18   8.406  -2.915  -2.330
  104    HA   LYS  18           HA       LYS  18   6.208  -4.755  -2.938
  105   1HB   LYS  18          2HB       LYS  18   8.029  -3.461  -4.412
  106   2HB   LYS  18          1HB       LYS  18   8.925  -4.961  -4.171
  107   1HG   LYS  18          2HG       LYS  18   7.743  -5.693  -5.972
  108   2HG   LYS  18          1HG       LYS  18   6.443  -5.927  -4.803
  109   1HD   LYS  18          2HD       LYS  18   5.859  -3.441  -5.277
  110   2HD   LYS  18          1HD       LYS  18   6.860  -3.634  -6.716
  111   1HE   LYS  18          2HE       LYS  18   5.393  -5.809  -7.082
  112   2HE   LYS  18          1HE       LYS  18   4.239  -4.944  -6.047
  113   1HZ   LYS  18          1HZ       LYS  18   3.925  -4.334  -8.368
  114   2HZ   LYS  18          2HZ       LYS  18   5.549  -3.850  -8.486
  115   3HZ   LYS  18          3HZ       LYS  18   4.476  -3.000  -7.479
  116    H    SER  19           H        SER  19   8.919  -4.905  -0.837
  117    HA   SER  19           HA       SER  19   9.765  -7.618  -1.085
  118   1HB   SER  19          2HB       SER  19   9.659  -5.589   1.149
  119   2HB   SER  19          1HB       SER  19  10.323  -7.198   1.417
  120    HG   SER  19           HG       SER  19  12.001  -6.706   0.219
  121    H    SER  20           H        SER  20   7.101  -6.170   0.811
  122    HA   SER  20           HA       SER  20   6.259  -8.867   1.750
  123   1HB   SER  20          2HB       SER  20   6.474  -6.806   3.222
  124   2HB   SER  20          1HB       SER  20   5.104  -6.128   2.349
  125    HG   SER  20           HG       SER  20   3.811  -7.449   3.372
  126    H    ASN  21           H        ASN  21   5.822  -7.320  -1.075
  127    HA   ASN  21           HA       ASN  21   4.141  -7.272  -2.720
  128   1HB   ASN  21          2HB       ASN  21   3.969  -9.745  -1.145
  129   2HB   ASN  21          1HB       ASN  21   2.457  -9.348  -1.961
  130   1HD2  ASN  21          1HD2      ASN  21   5.996  -9.548  -2.667
  131   2HD2  ASN  21          2HD2      ASN  21   5.790 -10.084  -4.265
  132    H    LEU  22           H        LEU  22   3.623  -5.252  -1.067
  133    HA   LEU  22           HA       LEU  22   0.815  -5.523  -0.076
  134   1HB   LEU  22          2HB       LEU  22   3.090  -3.580   0.395
  135   2HB   LEU  22          1HB       LEU  22   1.456  -3.276   0.985
  136    HG   LEU  22           HG       LEU  22   2.889  -5.864   1.588
  137   1HD1  LEU  22          1HD1      LEU  22   3.549  -4.855   3.750
  138   2HD1  LEU  22          2HD1      LEU  22   2.923  -3.298   3.208
  139   3HD1  LEU  22          3HD1      LEU  22   4.311  -4.022   2.396
  140   1HD2  LEU  22          1HD2      LEU  22   0.514  -4.353   2.690
  141   2HD2  LEU  22          2HD2      LEU  22   1.311  -5.621   3.622
  142   3HD2  LEU  22          3HD2      LEU  22   0.568  -6.002   2.069
  143    H    VAL  23           H        VAL  23  -0.765  -3.950  -0.738
  144    HA   VAL  23           HA       VAL  23  -0.053  -2.386  -3.203
  145    HB   VAL  23           HB       VAL  23  -2.399  -2.960  -3.948
  146   1HG1  VAL  23          1HG1      VAL  23  -1.809  -5.126  -4.760
  147   2HG1  VAL  23          2HG1      VAL  23  -0.760  -5.437  -3.377
  148   3HG1  VAL  23          3HG1      VAL  23  -0.290  -4.247  -4.591
  149   1HG2  VAL  23          1HG2      VAL  23  -2.291  -4.988  -1.694
  150   2HG2  VAL  23          2HG2      VAL  23  -3.628  -4.696  -2.806
  151   3HG2  VAL  23          3HG2      VAL  23  -3.205  -3.482  -1.600
  152    H    CYS  24           H        CYS  24  -1.036  -0.323  -3.369
  153    HA   CYS  24           HA       CYS  24  -1.917   0.879  -0.841
  154   1HB   CYS  24          2HB       CYS  24  -1.643   1.948  -3.671
  155   2HB   CYS  24          1HB       CYS  24  -1.901   2.941  -2.236
  156    H    SER  25           H        SER  25  -4.016   0.592  -0.213
  157    HA   SER  25           HA       SER  25  -6.173  -0.155  -1.970
  158   1HB   SER  25          2HB       SER  25  -5.912  -0.577   0.515
  159   2HB   SER  25          1HB       SER  25  -6.301   1.120   0.779
  160    HG   SER  25           HG       SER  25  -8.240   0.176   0.857
  161    H    ARG  26           H        ARG  26  -7.849   1.105  -2.831
  162    HA   ARG  26           HA       ARG  26  -7.279   3.980  -3.187
  163   1HB   ARG  26          2HB       ARG  26  -9.164   3.793  -4.811
  164   2HB   ARG  26          1HB       ARG  26  -7.923   2.574  -5.088
  165   1HG   ARG  26          2HG       ARG  26  -9.395   0.904  -4.746
  166   2HG   ARG  26          1HG       ARG  26  -9.897   1.592  -3.204
  167   1HD   ARG  26          2HD       ARG  26 -10.888   3.001  -5.635
  168   2HD   ARG  26          1HD       ARG  26 -11.585   1.402  -5.307
  169    HE   ARG  26           HE       ARG  26 -11.892   2.344  -2.893
  170   1HH1  ARG  26          1HH2      ARG  26 -10.888   5.091  -3.720
  171   2HH1  ARG  26          2HH2      ARG  26 -12.378   5.931  -3.991
  172   1HH2  ARG  26          2HH1      ARG  26 -14.293   3.037  -4.136
  173   2HH2  ARG  26          1HH1      ARG  26 -14.310   4.766  -4.227
  174    H    LYS  27           H        LYS  27  -9.498   1.961  -1.345
  175    HA   LYS  27           HA       LYS  27 -11.284   4.227  -0.700
  176   1HB   LYS  27          2HB       LYS  27 -11.515   1.458  -0.908
  177   2HB   LYS  27          1HB       LYS  27 -11.574   1.748   0.830
  178   1HG   LYS  27          2HG       LYS  27 -13.593   2.786   0.714
  179   2HG   LYS  27          1HG       LYS  27 -13.170   3.646  -0.766
  180   1HD   LYS  27          2HD       LYS  27 -14.541   2.214  -1.846
  181   2HD   LYS  27          1HD       LYS  27 -13.312   0.981  -1.569
  182   1HE   LYS  27          2HE       LYS  27 -15.242   1.558   0.655
  183   2HE   LYS  27          1HE       LYS  27 -15.805   0.594  -0.724
  184   1HZ   LYS  27          1HZ       LYS  27 -14.779  -0.834   0.928
  185   2HZ   LYS  27          2HZ       LYS  27 -13.350   0.082   0.876
  186   3HZ   LYS  27          3HZ       LYS  27 -13.839  -0.813  -0.483
  187    H    HIS  28           H        HIS  28  -8.767   2.265   0.849
  188    HA   HIS  28           HA       HIS  28  -9.069   3.701   3.422
  189   1HB   HIS  28          2HB       HIS  28  -7.473   1.383   2.347
  190   2HB   HIS  28          1HB       HIS  28  -7.026   2.121   3.883
  191    HD1  HIS  28           HD1      HIS  28  -7.806   0.181   5.369
  192    HD2  HIS  28           HD2      HIS  28 -10.818   1.638   2.882
  193    HE1  HIS  28           HE1      HIS  28  -9.965  -0.879   6.161
  194    H    ALA  29           H        ALA  29  -7.181   3.921   0.508
  195    HA   ALA  29           HA       ALA  29  -5.442   5.369  -0.134
  196   1HB   ALA  29          1HB       ALA  29  -7.213   6.840   1.121
  197   2HB   ALA  29          2HB       ALA  29  -5.622   7.523   0.782
  198   3HB   ALA  29          3HB       ALA  29  -5.994   6.911   2.394
  199    H    TRP  30           H        TRP  30  -4.727   3.055   1.490
  200    HA   TRP  30           HA       TRP  30  -2.117   4.020   2.498
  201   1HB   TRP  30          2HB       TRP  30  -2.436   3.257   4.712
  202   2HB   TRP  30          1HB       TRP  30  -3.960   4.042   4.321
  203    HD1  TRP  30           HD1      TRP  30  -4.846   1.415   2.449
  204    HE1  TRP  30           HE1      TRP  30  -5.812  -0.614   3.708
  205    HE3  TRP  30           HE3      TRP  30  -3.090   2.388   7.134
  206    HZ2  TRP  30           HZ2      TRP  30  -5.838  -1.681   6.364
  207    HZ3  TRP  30           HZ3      TRP  30  -3.599   0.854   9.012
  208    HH2  TRP  30           HH2      TRP  30  -4.969  -1.178   8.633
  209    H    CYS  31           H        CYS  31  -1.008   1.775   3.475
  210    HA   CYS  31           HA       CYS  31  -0.937  -0.012   1.134
  211   1HB   CYS  31          2HB       CYS  31   0.919   0.953   2.878
  212   2HB   CYS  31          1HB       CYS  31   0.601  -0.624   3.600
  213    H    LYS  32           H        LYS  32  -2.218  -1.790   1.011
  214    HA   LYS  32           HA       LYS  32  -3.267  -2.998   3.550
  215   1HB   LYS  32          2HB       LYS  32  -4.682  -1.825   1.597
  216   2HB   LYS  32          1HB       LYS  32  -4.541  -3.429   0.878
  217   1HG   LYS  32          2HG       LYS  32  -5.335  -4.343   3.141
  218   2HG   LYS  32          1HG       LYS  32  -5.780  -2.682   3.532
  219   1HD   LYS  32          2HD       LYS  32  -6.937  -2.838   1.120
  220   2HD   LYS  32          1HD       LYS  32  -6.985  -4.550   1.542
  221   1HE   LYS  32          2HE       LYS  32  -8.900  -4.021   2.670
  222   2HE   LYS  32          1HE       LYS  32  -7.820  -3.317   3.890
  223   1HZ   LYS  32          1HZ       LYS  32  -9.494  -1.727   2.998
  224   2HZ   LYS  32          2HZ       LYS  32  -8.762  -1.865   1.472
  225   3HZ   LYS  32          3HZ       LYS  32  -7.890  -1.220   2.782
  226    H    TYR  33           H        TYR  33  -3.562  -5.378   3.464
  227    HA   TYR  33           HA       TYR  33  -1.317  -6.698   2.055
  228   1HB   TYR  33          2HB       TYR  33  -2.327  -6.899   4.549
  229   2HB   TYR  33          1HB       TYR  33  -3.262  -8.174   3.768
  230    HD1  TYR  33           HD1      TYR  33  -2.196 -10.178   2.903
  231    HD2  TYR  33           HD2      TYR  33   0.131  -7.024   4.663
  232    HE1  TYR  33           HE1      TYR  33  -0.228 -11.684   3.001
  233    HE2  TYR  33           HE2      TYR  33   2.098  -8.530   4.761
  234    HH   TYR  33           HH       TYR  33   2.131 -11.509   4.782
  235    H    GLU  34           H        GLU  34  -1.627  -8.481   0.614
  236    HA   GLU  34           HA       GLU  34  -4.246  -8.475  -0.800
  237   1HB   GLU  34          2HB       GLU  34  -1.768  -8.267  -1.739
  238   2HB   GLU  34          1HB       GLU  34  -1.826 -10.028  -1.655
  239   1HG   GLU  34          2HG       GLU  34  -3.694 -10.139  -3.136
  240   2HG   GLU  34          1HG       GLU  34  -4.001  -8.407  -2.994
  241    H    ILE  35           H        ILE  35  -5.667 -10.153  -0.541
  242    HA   ILE  35           HA       ILE  35  -4.672 -12.668   0.769
  243    HB   ILE  35           HB       ILE  35  -7.343 -11.220   0.847
  244   1HG1  ILE  35          2HG1      ILE  35  -6.425 -11.662   3.431
  245   2HG1  ILE  35          1HG1      ILE  35  -4.947 -11.292   2.543
  246   1HG2  ILE  35          1HG2      ILE  35  -7.870 -13.553   0.885
  247   2HG2  ILE  35          2HG2      ILE  35  -7.891 -13.027   2.568
  248   3HG2  ILE  35          3HG2      ILE  35  -6.503 -13.915   1.939
  249   1HD1  ILE  35          1HD1      ILE  35  -5.795  -9.187   1.811
  250   2HD1  ILE  35          2HD1      ILE  35  -6.206  -9.288   3.523
  251   3HD1  ILE  35          3HD1      ILE  35  -7.439  -9.597   2.299
  252   1HN   NH2  36          1HN       NH2  36  -5.944 -14.825  -1.665
  253   2HN   NH2  36          2HN       NH2  36  -5.498 -14.656   0.047
  Start of MODEL    7
    1   1H    GLU   1          1H        GLU   1  12.454   7.858  -0.806
    2   2H    GLU   1          2H        GLU   1  12.846   6.670   0.343
    3   3H    GLU   1          3H        GLU   1  13.162   8.306   0.670
    4    HA   GLU   1           HA       GLU   1  11.212   7.712   1.895
    5   1HB   GLU   1          2HB       GLU   1  10.966   9.385  -0.599
    6   2HB   GLU   1          1HB       GLU   1   9.585   9.217   0.484
    7   1HG   GLU   1          2HG       GLU   1  11.505   9.770   2.304
    8   2HG   GLU   1          1HG       GLU   1  12.169  10.628   0.913
    9    H    CYS   2           H        CYS   2  10.281   5.670   1.968
   10    HA   CYS   2           HA       CYS   2   8.465   4.924  -0.296
   11   1HB   CYS   2          2HB       CYS   2  10.711   3.761  -0.365
   12   2HB   CYS   2          1HB       CYS   2  10.323   3.044   1.199
   13    H    LEU   3           H        LEU   3   6.658   3.614   0.367
   14    HA   LEU   3           HA       LEU   3   5.942   3.950   3.232
   15   1HB   LEU   3          2HB       LEU   3   4.407   3.150   0.738
   16   2HB   LEU   3          1HB       LEU   3   3.676   3.329   2.333
   17    HG   LEU   3           HG       LEU   3   5.304   5.581   1.179
   18   1HD1  LEU   3          1HD1      LEU   3   3.443   4.703  -0.433
   19   2HD1  LEU   3          2HD1      LEU   3   3.503   6.427  -0.069
   20   3HD1  LEU   3          3HD1      LEU   3   2.329   5.395   0.745
   21   1HD2  LEU   3          1HD2      LEU   3   3.691   6.891   2.575
   22   2HD2  LEU   3          2HD2      LEU   3   4.609   5.719   3.520
   23   3HD2  LEU   3          3HD2      LEU   3   2.938   5.376   3.073
   24    H    GLY   4           H        GLY   4   5.949   2.228   4.626
   25   1HA   GLY   4          2HA       GLY   4   6.687  -0.433   3.589
   26   2HA   GLY   4          1HA       GLY   4   6.610   0.033   5.288
   27    H    PHE   5           H        PHE   5   5.445  -2.127   5.386
   28    HA   PHE   5           HA       PHE   5   2.781  -2.361   4.241
   29   1HB   PHE   5          2HB       PHE   5   4.223  -4.279   4.795
   30   2HB   PHE   5          1HB       PHE   5   4.196  -3.820   6.498
   31    HD1  PHE   5           HD1      PHE   5   2.660  -4.902   7.874
   32    HD2  PHE   5           HD2      PHE   5   1.765  -4.446   3.697
   33    HE1  PHE   5           HE1      PHE   5   0.550  -6.164   8.188
   34    HE2  PHE   5           HE2      PHE   5  -0.344  -5.710   4.013
   35    HZ   PHE   5           HZ       PHE   5  -0.953  -6.568   6.257
   36    H    GLY   6           H        GLY   6   0.794  -1.953   5.245
   37   1HA   GLY   6          2HA       GLY   6  -0.729  -1.047   6.777
   38   2HA   GLY   6          1HA       GLY   6   0.451  -1.392   8.041
   39    H    LYS   7           H        LYS   7   1.147   0.649   5.243
   40    HA   LYS   7           HA       LYS   7   1.472   2.976   7.104
   41   1HB   LYS   7          2HB       LYS   7   3.456   1.984   5.879
   42   2HB   LYS   7          1HB       LYS   7   2.689   2.476   4.369
   43   1HG   LYS   7          2HG       LYS   7   4.168   4.256   4.896
   44   2HG   LYS   7          1HG       LYS   7   2.578   4.835   5.390
   45   1HD   LYS   7          2HD       LYS   7   3.217   4.988   7.547
   46   2HD   LYS   7          1HD       LYS   7   3.863   3.346   7.534
   47   1HE   LYS   7          2HE       LYS   7   6.004   4.049   6.896
   48   2HE   LYS   7          1HE       LYS   7   5.402   5.554   6.175
   49   1HZ   LYS   7          1HZ       LYS   7   6.413   5.989   8.328
   50   2HZ   LYS   7          2HZ       LYS   7   5.365   4.878   9.073
   51   3HZ   LYS   7          3HZ       LYS   7   4.747   6.304   8.386
   52    H    GLY   8           H        GLY   8   0.030   4.632   6.821
   53   1HA   GLY   8          2HA       GLY   8  -2.111   4.605   4.992
   54   2HA   GLY   8          1HA       GLY   8  -1.540   6.055   5.815
   55    H    CYS   9           H        CYS   9  -2.170   4.922   2.841
   56    HA   CYS   9           HA       CYS   9  -0.199   6.761   1.549
   57   1HB   CYS   9          2HB       CYS   9   0.235   5.015  -0.142
   58   2HB   CYS   9          1HB       CYS   9   0.622   4.411   1.468
   59    H    ASN  10           H        ASN  10  -0.996   6.466  -1.068
   60    HA   ASN  10           HA       ASN  10  -3.879   7.258  -0.957
   61   1HB   ASN  10          2HB       ASN  10  -3.375   8.651  -2.878
   62   2HB   ASN  10          1HB       ASN  10  -2.133   8.933  -1.663
   63   1HD2  ASN  10          1HD2      ASN  10   0.039   7.997  -2.075
   64   2HD2  ASN  10          2HD2      ASN  10   0.484   7.515  -3.640
   65    HA   PRO  11           HA       PRO  11  -4.616   3.481  -3.188
   66   1HB   PRO  11          2HB       PRO  11  -7.286   3.901  -3.637
   67   2HB   PRO  11          1HB       PRO  11  -6.636   3.374  -2.072
   68   1HG   PRO  11          2HG       PRO  11  -7.481   6.090  -2.951
   69   2HG   PRO  11          1HG       PRO  11  -7.707   5.287  -1.389
   70   1HD   PRO  11          2HD       PRO  11  -5.791   7.168  -1.840
   71   2HD   PRO  11          1HD       PRO  11  -5.622   5.868  -0.640
   72    H    SER  12           H        SER  12  -5.467   6.704  -4.398
   73    HA   SER  12           HA       SER  12  -6.237   6.094  -7.056
   74   1HB   SER  12          2HB       SER  12  -5.352   8.428  -7.485
   75   2HB   SER  12          1HB       SER  12  -6.438   8.312  -6.104
   76    HG   SER  12           HG       SER  12  -3.744   8.884  -6.219
   77    H    ASN  13           H        ASN  13  -2.990   6.524  -5.674
   78    HA   ASN  13           HA       ASN  13  -1.834   5.119  -8.044
   79   1HB   ASN  13          2HB       ASN  13  -1.120   7.813  -6.866
   80   2HB   ASN  13          1HB       ASN  13   0.049   6.894  -7.813
   81   1HD2  ASN  13          1HD2      ASN  13  -2.596   9.077  -8.046
   82   2HD2  ASN  13          2HD2      ASN  13  -2.855   8.942  -9.718
   83    H    ASP  14           H        ASP  14  -1.763   3.323  -6.466
   84    HA   ASP  14           HA       ASP  14  -0.541   3.341  -3.927
   85   1HB   ASP  14          2HB       ASP  14  -1.711   1.407  -4.619
   86   2HB   ASP  14          1HB       ASP  14  -0.829   1.310  -6.141
   87    H    GLN  15           H        GLN  15   1.487   3.992  -3.389
   88    HA   GLN  15           HA       GLN  15   3.737   3.408  -5.289
   89   1HB   GLN  15          2HB       GLN  15   2.687   5.864  -4.661
   90   2HB   GLN  15          1HB       GLN  15   3.973   5.723  -3.463
   91   1HG   GLN  15          2HG       GLN  15   5.652   5.580  -5.086
   92   2HG   GLN  15          1HG       GLN  15   4.533   5.036  -6.336
   93   1HE2  GLN  15          1HE2      GLN  15   5.445   7.927  -4.415
   94   2HE2  GLN  15          2HE2      GLN  15   4.849   9.050  -5.539
   95    H    CYS  16           H        CYS  16   2.931   1.658  -3.150
   96    HA   CYS  16           HA       CYS  16   4.582   2.130  -0.785
   97   1HB   CYS  16          2HB       CYS  16   2.596   0.239  -1.800
   98   2HB   CYS  16          1HB       CYS  16   3.896  -0.581  -0.937
   99    H    CYS  17           H        CYS  17   6.196   0.272  -0.173
  100    HA   CYS  17           HA       CYS  17   8.377   0.264  -2.035
  101   1HB   CYS  17          2HB       CYS  17   7.662  -0.896   0.592
  102   2HB   CYS  17          1HB       CYS  17   8.898  -1.786  -0.297
  103    H    LYS  18           H        LYS  18   8.581  -0.949  -3.855
  104    HA   LYS  18           HA       LYS  18   6.768  -3.120  -4.522
  105   1HB   LYS  18          2HB       LYS  18   7.893  -1.437  -6.060
  106   2HB   LYS  18          1HB       LYS  18   9.394  -2.331  -5.820
  107   1HG   LYS  18          2HG       LYS  18   8.773  -3.839  -7.370
  108   2HG   LYS  18          1HG       LYS  18   7.302  -4.192  -6.463
  109   1HD   LYS  18          2HD       LYS  18   7.223  -1.630  -7.914
  110   2HD   LYS  18          1HD       LYS  18   7.355  -3.043  -8.961
  111   1HE   LYS  18          2HE       LYS  18   5.372  -3.123  -6.705
  112   2HE   LYS  18          1HE       LYS  18   4.964  -2.212  -8.171
  113   1HZ   LYS  18          1HZ       LYS  18   5.888  -5.039  -8.070
  114   2HZ   LYS  18          2HZ       LYS  18   5.576  -4.162  -9.493
  115   3HZ   LYS  18          3HZ       LYS  18   4.311  -4.521  -8.419
  116    H    SER  19           H        SER  19   9.929  -2.950  -2.998
  117    HA   SER  19           HA       SER  19  10.957  -5.543  -3.556
  118   1HB   SER  19          2HB       SER  19  11.159  -3.628  -1.223
  119   2HB   SER  19          1HB       SER  19  12.061  -5.140  -1.254
  120    HG   SER  19           HG       SER  19  13.223  -3.344  -2.138
  121    H    SER  20           H        SER  20   8.743  -4.443  -0.975
  122    HA   SER  20           HA       SER  20   8.452  -7.161   0.124
  123   1HB   SER  20          2HB       SER  20   7.075  -5.998   1.761
  124   2HB   SER  20          1HB       SER  20   8.510  -5.026   1.451
  125    HG   SER  20           HG       SER  20   7.239  -3.511   0.769
  126    H    ASN  21           H        ASN  21   7.065  -5.466  -2.482
  127    HA   ASN  21           HA       ASN  21   5.190  -5.849  -3.836
  128   1HB   ASN  21          2HB       ASN  21   5.694  -8.451  -2.408
  129   2HB   ASN  21          1HB       ASN  21   4.286  -8.298  -3.456
  130   1HD2  ASN  21          1HD2      ASN  21   6.852  -9.891  -3.858
  131   2HD2  ASN  21          2HD2      ASN  21   7.452  -9.365  -5.356
  132    H    LEU  22           H        LEU  22   3.993  -4.186  -2.629
  133    HA   LEU  22           HA       LEU  22   1.696  -5.351  -1.102
  134   1HB   LEU  22          2HB       LEU  22   3.571  -3.104  -0.330
  135   2HB   LEU  22          1HB       LEU  22   1.982  -3.288   0.410
  136    HG   LEU  22           HG       LEU  22   4.024  -5.523   0.334
  137   1HD1  LEU  22          1HD1      LEU  22   4.893  -3.543   1.577
  138   2HD1  LEU  22          2HD1      LEU  22   4.590  -4.923   2.633
  139   3HD1  LEU  22          3HD1      LEU  22   3.450  -3.578   2.590
  140   1HD2  LEU  22          1HD2      LEU  22   1.402  -5.023   1.756
  141   2HD2  LEU  22          2HD2      LEU  22   2.556  -6.218   2.347
  142   3HD2  LEU  22          3HD2      LEU  22   1.849  -6.394   0.741
  143    H    VAL  23           H        VAL  23  -0.190  -3.881  -1.073
  144    HA   VAL  23           HA       VAL  23  -0.143  -1.817  -3.251
  145    HB   VAL  23           HB       VAL  23  -2.456  -2.661  -3.808
  146   1HG1  VAL  23          1HG1      VAL  23  -0.280  -4.767  -3.969
  147   2HG1  VAL  23          2HG1      VAL  23  -0.403  -3.375  -5.044
  148   3HG1  VAL  23          3HG1      VAL  23  -1.669  -4.603  -5.043
  149   1HG2  VAL  23          1HG2      VAL  23  -3.185  -4.800  -2.927
  150   2HG2  VAL  23          2HG2      VAL  23  -2.830  -3.742  -1.562
  151   3HG2  VAL  23          3HG2      VAL  23  -1.679  -4.994  -2.028
  152    H    CYS  24           H        CYS  24  -1.815  -0.141  -2.990
  153    HA   CYS  24           HA       CYS  24  -2.222   0.580  -0.166
  154   1HB   CYS  24          2HB       CYS  24  -2.559   1.835  -2.873
  155   2HB   CYS  24          1HB       CYS  24  -3.376   2.568  -1.493
  156    H    SER  25           H        SER  25  -4.161   0.430   0.934
  157    HA   SER  25           HA       SER  25  -6.397  -1.003  -0.365
  158   1HB   SER  25          2HB       SER  25  -5.299  -1.305   2.007
  159   2HB   SER  25          1HB       SER  25  -6.344   0.038   2.460
  160    HG   SER  25           HG       SER  25  -8.046  -1.212   2.251
  161    H    ARG  26           H        ARG  26  -8.640  -0.170  -0.100
  162    HA   ARG  26           HA       ARG  26  -8.749   2.792  -0.479
  163   1HB   ARG  26          2HB       ARG  26 -10.473   0.427  -1.223
  164   2HB   ARG  26          1HB       ARG  26 -11.103   2.072  -1.319
  165   1HG   ARG  26          2HG       ARG  26  -9.729   2.647  -3.074
  166   2HG   ARG  26          1HG       ARG  26  -8.436   1.565  -2.555
  167   1HD   ARG  26          2HD       ARG  26 -10.111  -0.349  -3.184
  168   2HD   ARG  26          1HD       ARG  26 -10.917   0.913  -4.137
  169    HE   ARG  26           HE       ARG  26  -8.012   0.832  -4.513
  170   1HH1  ARG  26          2HH1      ARG  26  -9.739   1.788  -6.674
  171   2HH1  ARG  26          1HH1      ARG  26  -9.823   0.435  -7.753
  172   1HH2  ARG  26          1HH2      ARG  26  -8.701  -1.855  -5.392
  173   2HH2  ARG  26          2HH2      ARG  26  -9.234  -1.632  -7.025
  174    H    LYS  27           H        LYS  27 -10.097   0.154   1.489
  175    HA   LYS  27           HA       LYS  27 -12.035   1.770   2.905
  176   1HB   LYS  27          2HB       LYS  27 -11.958  -0.751   2.586
  177   2HB   LYS  27          1HB       LYS  27 -10.669  -0.785   3.790
  178   1HG   LYS  27          2HG       LYS  27 -12.086  -0.082   5.519
  179   2HG   LYS  27          1HG       LYS  27 -13.266   0.606   4.403
  180   1HD   LYS  27          2HD       LYS  27 -14.403  -1.328   4.822
  181   2HD   LYS  27          1HD       LYS  27 -13.310  -1.995   3.609
  182   1HE   LYS  27          2HE       LYS  27 -11.942  -3.022   5.214
  183   2HE   LYS  27          1HE       LYS  27 -12.462  -1.920   6.503
  184   1HZ   LYS  27          1HZ       LYS  27 -14.187  -3.928   5.145
  185   2HZ   LYS  27          2HZ       LYS  27 -14.686  -2.859   6.369
  186   3HZ   LYS  27          3HZ       LYS  27 -13.553  -4.077   6.710
  187    H    HIS  28           H        HIS  28  -8.690   0.766   3.609
  188    HA   HIS  28           HA       HIS  28  -8.707   2.483   6.060
  189   1HB   HIS  28          2HB       HIS  28  -6.988   0.200   5.059
  190   2HB   HIS  28          1HB       HIS  28  -6.565   1.148   6.484
  191    HD1  HIS  28           HD1      HIS  28  -9.080   1.455   8.008
  192    HD2  HIS  28           HD2      HIS  28  -8.229  -2.081   5.968
  193    HE1  HIS  28           HE1      HIS  28 -10.496  -0.349   9.081
  194    H    ALA  29           H        ALA  29  -7.679   2.549   2.801
  195    HA   ALA  29           HA       ALA  29  -6.185   3.935   1.617
  196   1HB   ALA  29          1HB       ALA  29  -6.339   5.701   4.066
  197   2HB   ALA  29          2HB       ALA  29  -7.735   5.476   3.013
  198   3HB   ALA  29          3HB       ALA  29  -6.253   6.185   2.372
  199    H    TRP  30           H        TRP  30  -4.845   1.876   2.939
  200    HA   TRP  30           HA       TRP  30  -2.246   3.174   3.537
  201   1HB   TRP  30          2HB       TRP  30  -2.041   2.189   5.691
  202   2HB   TRP  30          1HB       TRP  30  -3.678   2.826   5.646
  203    HD1  TRP  30           HD1      TRP  30  -4.718   0.279   3.772
  204    HE1  TRP  30           HE1      TRP  30  -5.207  -1.934   4.992
  205    HE3  TRP  30           HE3      TRP  30  -2.060   1.041   8.059
  206    HZ2  TRP  30           HZ2      TRP  30  -4.560  -3.213   7.467
  207    HZ3  TRP  30           HZ3      TRP  30  -2.018  -0.687   9.834
  208    HH2  TRP  30           HH2      TRP  30  -3.263  -2.811   9.544
  209    H    CYS  31           H        CYS  31  -0.515   1.331   3.818
  210    HA   CYS  31           HA       CYS  31  -0.617  -0.333   1.454
  211   1HB   CYS  31          2HB       CYS  31   1.319   0.738   3.024
  212   2HB   CYS  31          1HB       CYS  31   1.319  -0.916   3.633
  213    H    LYS  32           H        LYS  32  -1.615  -2.272   1.278
  214    HA   LYS  32           HA       LYS  32  -1.921  -3.983   3.723
  215   1HB   LYS  32          2HB       LYS  32  -3.919  -2.588   2.571
  216   2HB   LYS  32          1HB       LYS  32  -3.961  -4.020   1.542
  217   1HG   LYS  32          2HG       LYS  32  -3.707  -4.693   4.378
  218   2HG   LYS  32          1HG       LYS  32  -5.169  -3.770   4.033
  219   1HD   LYS  32          2HD       LYS  32  -4.984  -5.622   1.933
  220   2HD   LYS  32          1HD       LYS  32  -4.556  -6.535   3.380
  221   1HE   LYS  32          2HE       LYS  32  -6.806  -6.709   3.721
  222   2HE   LYS  32          1HE       LYS  32  -6.729  -5.008   4.219
  223   1HZ   LYS  32          1HZ       LYS  32  -7.006  -4.348   1.910
  224   2HZ   LYS  32          2HZ       LYS  32  -8.312  -5.315   2.406
  225   3HZ   LYS  32          3HZ       LYS  32  -7.089  -5.973   1.428
  226    H    TYR  33           H        TYR  33  -2.319  -6.334   3.080
  227    HA   TYR  33           HA       TYR  33  -0.340  -7.198   1.128
  228   1HB   TYR  33          2HB       TYR  33  -1.774  -8.238   3.342
  229   2HB   TYR  33          1HB       TYR  33  -2.194  -9.257   1.966
  230    HD1  TYR  33           HD1      TYR  33  -0.726 -10.953   1.291
  231    HD2  TYR  33           HD2      TYR  33   0.772  -7.674   3.626
  232    HE1  TYR  33           HE1      TYR  33   1.481 -12.070   1.444
  233    HE2  TYR  33           HE2      TYR  33   2.981  -8.792   3.779
  234    HH   TYR  33           HH       TYR  33   3.619 -11.642   3.513
  235    H    GLU  34           H        GLU  34  -0.876  -8.648  -0.719
  236    HA   GLU  34           HA       GLU  34  -3.183  -7.614  -2.247
  237   1HB   GLU  34          2HB       GLU  34  -0.851  -9.462  -2.840
  238   2HB   GLU  34          1HB       GLU  34  -2.066  -9.027  -4.042
  239   1HG   GLU  34          2HG       GLU  34  -1.339  -6.842  -4.196
  240   2HG   GLU  34          1HG       GLU  34  -0.779  -6.800  -2.525
  241    H    ILE  35           H        ILE  35  -4.694  -8.744  -0.614
  242    HA   ILE  35           HA       ILE  35  -5.144 -11.596  -1.448
  243    HB   ILE  35           HB       ILE  35  -5.481 -10.216   1.237
  244   1HG1  ILE  35          2HG1      ILE  35  -3.838 -12.673   0.628
  245   2HG1  ILE  35          1HG1      ILE  35  -3.178 -11.062   0.344
  246   1HG2  ILE  35          1HG2      ILE  35  -6.094 -12.580   1.991
  247   2HG2  ILE  35          2HG2      ILE  35  -6.314 -12.967   0.285
  248   3HG2  ILE  35          3HG2      ILE  35  -7.320 -11.736   1.046
  249   1HD1  ILE  35          1HD1      ILE  35  -3.842 -10.504   2.739
  250   2HD1  ILE  35          2HD1      ILE  35  -2.521 -11.659   2.565
  251   3HD1  ILE  35          3HD1      ILE  35  -4.142 -12.227   2.963
  252   1HN   NH2  36          1HN       NH2  36  -8.122  -8.738  -1.152
  253   2HN   NH2  36          2HN       NH2  36  -6.382  -8.383  -1.104
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1  13.662   7.978   1.969
    2   2H    GLU   1          2H        GLU   1  12.475   8.447   0.846
    3   3H    GLU   1          3H        GLU   1  12.912   6.812   0.994
    4    HA   GLU   1           HA       GLU   1  12.030   6.782   3.279
    5   1HB   GLU   1          2HB       GLU   1  11.650   9.659   2.478
    6   2HB   GLU   1          1HB       GLU   1  10.573   8.943   3.676
    7   1HG   GLU   1          2HG       GLU   1  12.149   9.278   5.245
    8   2HG   GLU   1          1HG       GLU   1  13.200   8.152   4.388
    9    H    CYS   2           H        CYS   2  10.520   5.256   2.696
   10    HA   CYS   2           HA       CYS   2   8.186   6.158   1.037
   11   1HB   CYS   2          2HB       CYS   2   8.313   4.082  -0.169
   12   2HB   CYS   2          1HB       CYS   2   9.952   4.729  -0.125
   13    H    LEU   3           H        LEU   3   6.361   4.390   1.283
   14    HA   LEU   3           HA       LEU   3   5.871   4.059   4.185
   15   1HB   LEU   3          2HB       LEU   3   4.199   3.581   1.693
   16   2HB   LEU   3          1HB       LEU   3   3.589   3.469   3.342
   17    HG   LEU   3           HG       LEU   3   5.016   5.977   2.555
   18   1HD1  LEU   3          1HD1      LEU   3   2.410   6.598   1.973
   19   2HD1  LEU   3          2HD1      LEU   3   2.534   4.968   1.310
   20   3HD1  LEU   3          3HD1      LEU   3   3.637   6.229   0.761
   21   1HD2  LEU   3          1HD2      LEU   3   2.590   5.324   4.262
   22   2HD2  LEU   3          2HD2      LEU   3   3.280   6.935   4.067
   23   3HD2  LEU   3          3HD2      LEU   3   4.216   5.664   4.853
   24    H    GLY   4           H        GLY   4   6.382   2.149   5.172
   25   1HA   GLY   4          2HA       GLY   4   7.182  -0.192   3.647
   26   2HA   GLY   4          1HA       GLY   4   7.064  -0.093   5.404
   27    H    PHE   5           H        PHE   5   6.092  -2.302   5.144
   28    HA   PHE   5           HA       PHE   5   3.466  -2.566   3.894
   29   1HB   PHE   5          2HB       PHE   5   4.952  -4.461   4.004
   30   2HB   PHE   5          1HB       PHE   5   5.161  -4.270   5.744
   31    HD1  PHE   5           HD1      PHE   5   2.333  -4.626   3.281
   32    HD2  PHE   5           HD2      PHE   5   3.961  -5.723   7.104
   33    HE1  PHE   5           HE1      PHE   5   0.383  -6.101   3.691
   34    HE2  PHE   5           HE2      PHE   5   2.010  -7.199   7.509
   35    HZ   PHE   5           HZ       PHE   5   0.222  -7.387   5.803
   36    H    GLY   6           H        GLY   6   1.476  -2.343   4.882
   37   1HA   GLY   6          2HA       GLY   6  -0.110  -2.130   6.621
   38   2HA   GLY   6          1HA       GLY   6   1.185  -2.368   7.793
   39    H    LYS   7           H        LYS   7   1.252   0.071   5.232
   40    HA   LYS   7           HA       LYS   7   1.282   2.187   7.350
   41   1HB   LYS   7          2HB       LYS   7   3.032   1.512   5.272
   42   2HB   LYS   7          1HB       LYS   7   2.168   2.924   4.664
   43   1HG   LYS   7          2HG       LYS   7   3.976   3.864   5.843
   44   2HG   LYS   7          1HG       LYS   7   2.646   3.955   6.997
   45   1HD   LYS   7          2HD       LYS   7   3.476   2.213   8.303
   46   2HD   LYS   7          1HD       LYS   7   4.384   1.508   6.966
   47   1HE   LYS   7          2HE       LYS   7   6.081   2.504   8.277
   48   2HE   LYS   7          1HE       LYS   7   5.755   3.756   7.062
   49   1HZ   LYS   7          1HZ       LYS   7   4.422   3.579   9.716
   50   2HZ   LYS   7          2HZ       LYS   7   4.205   4.805   8.558
   51   3HZ   LYS   7          3HZ       LYS   7   5.698   4.634   9.349
   52    H    GLY   8           H        GLY   8  -0.642   3.277   7.466
   53   1HA   GLY   8          2HA       GLY   8  -2.780   3.115   5.642
   54   2HA   GLY   8          1HA       GLY   8  -2.568   4.434   6.792
   55    H    CYS   9           H        CYS   9  -3.041   3.927   3.628
   56    HA   CYS   9           HA       CYS   9  -1.727   6.487   2.865
   57   1HB   CYS   9          2HB       CYS   9  -0.833   5.324   0.815
   58   2HB   CYS   9          1HB       CYS   9  -0.116   4.745   2.318
   59    H    ASN  10           H        ASN  10  -2.363   6.596   0.221
   60    HA   ASN  10           HA       ASN  10  -5.320   6.695   0.259
   61   1HB   ASN  10          2HB       ASN  10  -3.185   8.193  -0.828
   62   2HB   ASN  10          1HB       ASN  10  -4.027   7.497  -2.212
   63   1HD2  ASN  10          1HD2      ASN  10  -4.181   9.973   0.196
   64   2HD2  ASN  10          2HD2      ASN  10  -5.750  10.517  -0.154
   65    HA   PRO  11           HA       PRO  11  -5.503   2.819  -1.934
   66   1HB   PRO  11          2HB       PRO  11  -8.195   2.879  -2.462
   67   2HB   PRO  11          1HB       PRO  11  -7.520   2.438  -0.881
   68   1HG   PRO  11          2HG       PRO  11  -8.695   5.020  -1.780
   69   2HG   PRO  11          1HG       PRO  11  -8.851   4.189  -0.225
   70   1HD   PRO  11          2HD       PRO  11  -7.191   6.307  -0.617
   71   2HD   PRO  11          1HD       PRO  11  -6.872   5.027   0.574
   72    H    SER  12           H        SER  12  -7.181   5.717  -3.238
   73    HA   SER  12           HA       SER  12  -7.174   4.806  -5.988
   74   1HB   SER  12          2HB       SER  12  -7.722   7.225  -6.397
   75   2HB   SER  12          1HB       SER  12  -8.730   6.493  -5.153
   76    HG   SER  12           HG       SER  12  -6.776   8.450  -4.970
   77    H    ASN  13           H        ASN  13  -4.995   6.823  -4.043
   78    HA   ASN  13           HA       ASN  13  -3.021   6.793  -6.299
   79   1HB   ASN  13          2HB       ASN  13  -4.176   8.893  -4.755
   80   2HB   ASN  13          1HB       ASN  13  -2.481   8.778  -4.278
   81   1HD2  ASN  13          1HD2      ASN  13  -4.597   9.936  -6.734
   82   2HD2  ASN  13          2HD2      ASN  13  -3.411  10.326  -7.883
   83    H    ASP  14           H        ASP  14  -2.544   4.586  -5.303
   84    HA   ASP  14           HA       ASP  14  -1.463   4.293  -2.669
   85   1HB   ASP  14          2HB       ASP  14  -0.739   2.126  -3.507
   86   2HB   ASP  14          1HB       ASP  14  -2.314   2.495  -4.205
   87    H    GLN  15           H        GLN  15   0.562   4.684  -1.859
   88    HA   GLN  15           HA       GLN  15   2.770   5.348  -3.778
   89   1HB   GLN  15          2HB       GLN  15   1.941   6.837  -1.260
   90   2HB   GLN  15          1HB       GLN  15   3.328   7.244  -2.271
   91   1HG   GLN  15          2HG       GLN  15   1.385   7.196  -4.158
   92   2HG   GLN  15          1HG       GLN  15   0.433   7.691  -2.759
   93   1HE2  GLN  15          1HE2      GLN  15   1.587   9.209  -5.247
   94   2HE2  GLN  15          2HE2      GLN  15   2.302  10.583  -4.555
   95    H    CYS  16           H        CYS  16   2.193   2.884  -2.168
   96    HA   CYS  16           HA       CYS  16   3.970   2.853   0.136
   97   1HB   CYS  16          2HB       CYS  16   2.772   0.647  -1.571
   98   2HB   CYS  16          1HB       CYS  16   3.518   0.412   0.009
   99    H    CYS  17           H        CYS  17   5.891   1.309   0.196
  100    HA   CYS  17           HA       CYS  17   7.851   2.015  -1.779
  101   1HB   CYS  17          2HB       CYS  17   7.735   0.823   0.748
  102   2HB   CYS  17          1HB       CYS  17   8.383  -0.446  -0.291
  103    H    LYS  18           H        LYS  18   8.240   1.114  -3.758
  104    HA   LYS  18           HA       LYS  18   6.642  -1.176  -4.678
  105   1HB   LYS  18          2HB       LYS  18   8.638   0.751  -5.871
  106   2HB   LYS  18          1HB       LYS  18   8.046  -0.629  -6.796
  107   1HG   LYS  18          2HG       LYS  18   5.790   0.131  -6.687
  108   2HG   LYS  18          1HG       LYS  18   6.172   1.315  -5.435
  109   1HD   LYS  18          2HD       LYS  18   7.560   2.575  -7.024
  110   2HD   LYS  18          1HD       LYS  18   7.225   1.381  -8.279
  111   1HE   LYS  18          2HE       LYS  18   5.422   2.645  -8.838
  112   2HE   LYS  18          1HE       LYS  18   4.689   2.127  -7.308
  113   1HZ   LYS  18          1HZ       LYS  18   6.528   4.439  -7.653
  114   2HZ   LYS  18          2HZ       LYS  18   5.848   3.928  -6.181
  115   3HZ   LYS  18          3HZ       LYS  18   4.853   4.542  -7.414
  116    H    SER  19           H        SER  19   9.435  -1.049  -2.878
  117    HA   SER  19           HA       SER  19  11.230  -2.844  -4.205
  118   1HB   SER  19          2HB       SER  19  12.102  -3.124  -1.862
  119   2HB   SER  19          1HB       SER  19  11.867  -1.439  -2.318
  120    HG   SER  19           HG       SER  19  10.542  -2.998  -0.457
  121    H    SER  20           H        SER  20   8.507  -3.433  -1.961
  122    HA   SER  20           HA       SER  20   8.791  -6.374  -2.489
  123   1HB   SER  20          2HB       SER  20   7.646  -6.597  -0.299
  124   2HB   SER  20          1HB       SER  20   9.118  -5.643  -0.160
  125    HG   SER  20           HG       SER  20   7.953  -3.969   0.362
  126    H    ASN  21           H        ASN  21   7.289  -4.229  -4.093
  127    HA   ASN  21           HA       ASN  21   5.223  -4.014  -5.199
  128   1HB   ASN  21          2HB       ASN  21   5.962  -6.720  -4.931
  129   2HB   ASN  21          1HB       ASN  21   4.241  -6.673  -4.549
  130   1HD2  ASN  21          1HD2      ASN  21   2.804  -6.491  -6.312
  131   2HD2  ASN  21          2HD2      ASN  21   3.286  -6.144  -7.902
  132    H    LEU  22           H        LEU  22   4.832  -2.636  -3.050
  133    HA   LEU  22           HA       LEU  22   2.626  -3.813  -1.415
  134   1HB   LEU  22          2HB       LEU  22   4.538  -1.491  -1.156
  135   2HB   LEU  22          1HB       LEU  22   3.103  -1.588  -0.137
  136    HG   LEU  22           HG       LEU  22   5.096  -3.854  -0.385
  137   1HD1  LEU  22          1HD1      LEU  22   5.994  -3.080   1.783
  138   2HD1  LEU  22          2HD1      LEU  22   4.927  -1.677   1.723
  139   3HD1  LEU  22          3HD1      LEU  22   6.217  -1.856   0.533
  140   1HD2  LEU  22          1HD2      LEU  22   3.067  -4.697   0.473
  141   2HD2  LEU  22          2HD2      LEU  22   2.727  -3.219   1.373
  142   3HD2  LEU  22          3HD2      LEU  22   3.989  -4.320   1.928
  143    H    VAL  23           H        VAL  23   0.541  -3.059  -1.619
  144    HA   VAL  23           HA       VAL  23   0.075  -0.648  -3.348
  145    HB   VAL  23           HB       VAL  23  -1.951  -1.900  -4.161
  146   1HG1  VAL  23          1HG1      VAL  23  -0.746  -3.265  -5.713
  147   2HG1  VAL  23          2HG1      VAL  23   0.585  -3.498  -4.580
  148   3HG1  VAL  23          3HG1      VAL  23   0.320  -1.917  -5.316
  149   1HG2  VAL  23          1HG2      VAL  23  -2.205  -4.249  -3.670
  150   2HG2  VAL  23          2HG2      VAL  23  -2.055  -3.410  -2.127
  151   3HG2  VAL  23          3HG2      VAL  23  -0.677  -4.288  -2.790
  152    H    CYS  24           H        CYS  24  -1.822   0.602  -2.774
  153    HA   CYS  24           HA       CYS  24  -2.464   0.503   0.097
  154   1HB   CYS  24          2HB       CYS  24  -3.115   2.328  -2.224
  155   2HB   CYS  24          1HB       CYS  24  -3.790   2.586  -0.615
  156    H    SER  25           H        SER  25  -4.075  -0.849   0.774
  157    HA   SER  25           HA       SER  25  -6.102  -1.938  -1.003
  158   1HB   SER  25          2HB       SER  25  -4.960  -2.574   1.432
  159   2HB   SER  25          1HB       SER  25  -6.568  -2.035   1.907
  160    HG   SER  25           HG       SER  25  -7.339  -3.806   1.094
  161    H    ARG  26           H        ARG  26  -8.434  -1.587  -0.747
  162    HA   ARG  26           HA       ARG  26  -9.093   1.249  -0.202
  163   1HB   ARG  26          2HB       ARG  26  -9.786  -0.480  -2.156
  164   2HB   ARG  26          1HB       ARG  26 -11.127  -0.763  -1.045
  165   1HG   ARG  26          2HG       ARG  26 -10.925   1.991  -1.039
  166   2HG   ARG  26          1HG       ARG  26 -10.543   1.586  -2.712
  167   1HD   ARG  26          2HD       ARG  26 -12.854   0.119  -1.555
  168   2HD   ARG  26          1HD       ARG  26 -13.095   1.858  -1.817
  169    HE   ARG  26           HE       ARG  26 -12.092   0.032  -3.974
  170   1HH1  ARG  26          1HH2      ARG  26 -11.972   3.022  -4.384
  171   2HH1  ARG  26          2HH2      ARG  26 -13.446   3.319  -5.243
  172   1HH2  ARG  26          2HH1      ARG  26 -14.863   0.259  -4.406
  173   2HH2  ARG  26          1HH1      ARG  26 -15.087   1.752  -5.255
  174    H    LYS  27           H        LYS  27  -9.866  -1.998   1.028
  175    HA   LYS  27           HA       LYS  27 -11.875  -1.091   2.935
  176   1HB   LYS  27          2HB       LYS  27 -10.262  -3.628   2.539
  177   2HB   LYS  27          1HB       LYS  27 -11.511  -3.472   3.774
  178   1HG   LYS  27          2HG       LYS  27 -13.230  -3.404   2.228
  179   2HG   LYS  27          1HG       LYS  27 -12.211  -2.710   0.966
  180   1HD   LYS  27          2HD       LYS  27 -11.569  -5.466   1.940
  181   2HD   LYS  27          1HD       LYS  27 -12.957  -5.263   0.871
  182   1HE   LYS  27          2HE       LYS  27 -10.539  -3.799  -0.004
  183   2HE   LYS  27          1HE       LYS  27 -10.382  -5.566  -0.025
  184   1HZ   LYS  27          1HZ       LYS  27 -12.655  -4.038  -1.185
  185   2HZ   LYS  27          2HZ       LYS  27 -12.456  -5.726  -1.230
  186   3HZ   LYS  27          3HZ       LYS  27 -11.385  -4.718  -2.080
  187    H    HIS  28           H        HIS  28  -8.400  -1.788   3.052
  188    HA   HIS  28           HA       HIS  28  -8.313  -1.147   5.963
  189   1HB   HIS  28          2HB       HIS  28  -6.291  -2.259   3.989
  190   2HB   HIS  28          1HB       HIS  28  -5.984  -2.040   5.712
  191    HD1  HIS  28           HD1      HIS  28  -6.166  -4.837   4.083
  192    HD2  HIS  28           HD2      HIS  28  -9.064  -3.234   6.613
  193    HE1  HIS  28           HE1      HIS  28  -7.582  -6.782   4.872
  194    H    ALA  29           H        ALA  29  -7.589   0.260   2.855
  195    HA   ALA  29           HA       ALA  29  -6.607   2.310   2.236
  196   1HB   ALA  29          1HB       ALA  29  -7.164   4.106   3.721
  197   2HB   ALA  29          2HB       ALA  29  -7.139   3.042   5.128
  198   3HB   ALA  29          3HB       ALA  29  -8.430   2.897   3.935
  199    H    TRP  30           H        TRP  30  -4.736   0.308   3.000
  200    HA   TRP  30           HA       TRP  30  -2.495   2.019   3.909
  201   1HB   TRP  30          2HB       TRP  30  -1.963   0.662   5.790
  202   2HB   TRP  30          1HB       TRP  30  -3.699   0.918   5.884
  203    HD1  TRP  30           HD1      TRP  30  -4.032  -1.385   3.389
  204    HE1  TRP  30           HE1      TRP  30  -4.046  -3.844   4.157
  205    HE3  TRP  30           HE3      TRP  30  -1.934  -0.864   8.003
  206    HZ2  TRP  30           HZ2      TRP  30  -3.272  -5.388   6.442
  207    HZ3  TRP  30           HZ3      TRP  30  -1.586  -2.840   9.460
  208    HH2  TRP  30           HH2      TRP  30  -2.252  -5.100   8.685
  209    H    CYS  31           H        CYS  31  -0.376   0.553   3.858
  210    HA   CYS  31           HA       CYS  31  -0.164  -0.529   1.171
  211   1HB   CYS  31          2HB       CYS  31   1.703  -0.592   3.566
  212   2HB   CYS  31          1HB       CYS  31   2.168  -1.003   1.919
  213    H    LYS  32           H        LYS  32  -0.471  -2.621   0.534
  214    HA   LYS  32           HA       LYS  32  -0.568  -4.759   2.637
  215   1HB   LYS  32          2HB       LYS  32  -2.797  -4.034   1.819
  216   2HB   LYS  32          1HB       LYS  32  -2.295  -4.386   0.165
  217   1HG   LYS  32          2HG       LYS  32  -3.559  -6.283   0.969
  218   2HG   LYS  32          1HG       LYS  32  -1.865  -6.764   0.886
  219   1HD   LYS  32          2HD       LYS  32  -2.020  -7.368   3.053
  220   2HD   LYS  32          1HD       LYS  32  -2.174  -5.656   3.448
  221   1HE   LYS  32          2HE       LYS  32  -4.531  -5.756   3.523
  222   2HE   LYS  32          1HE       LYS  32  -4.586  -7.264   2.590
  223   1HZ   LYS  32          1HZ       LYS  32  -3.285  -7.021   5.249
  224   2HZ   LYS  32          2HZ       LYS  32  -3.582  -8.447   4.374
  225   3HZ   LYS  32          3HZ       LYS  32  -4.875  -7.568   5.035
  226    H    TYR  33           H        TYR  33   0.204  -6.829   1.943
  227    HA   TYR  33           HA       TYR  33   2.235  -6.747  -0.177
  228   1HB   TYR  33          2HB       TYR  33   1.892  -8.016   2.253
  229   2HB   TYR  33          1HB       TYR  33   1.557  -9.314   1.107
  230    HD1  TYR  33           HD1      TYR  33   3.334 -10.472   0.111
  231    HD2  TYR  33           HD2      TYR  33   4.027  -6.579   1.790
  232    HE1  TYR  33           HE1      TYR  33   5.763 -10.719  -0.320
  233    HE2  TYR  33           HE2      TYR  33   6.456  -6.826   1.359
  234    HH   TYR  33           HH       TYR  33   7.776  -8.745  -0.678
  235    H    GLU  34           H        GLU  34   2.241  -9.047  -1.469
  236    HA   GLU  34           HA       GLU  34   0.036  -8.926  -3.329
  237   1HB   GLU  34          2HB       GLU  34   2.298 -10.878  -2.814
  238   2HB   GLU  34          1HB       GLU  34   1.194 -11.038  -4.179
  239   1HG   GLU  34          2HG       GLU  34   2.689  -8.465  -3.654
  240   2HG   GLU  34          1HG       GLU  34   3.405  -9.773  -4.596
  241    H    ILE  35           H        ILE  35  -1.884 -10.049  -3.300
  242    HA   ILE  35           HA       ILE  35  -2.409 -11.878  -1.014
  243    HB   ILE  35           HB       ILE  35  -4.178 -10.589  -3.125
  244   1HG1  ILE  35          2HG1      ILE  35  -4.846  -9.622  -0.599
  245   2HG1  ILE  35          1HG1      ILE  35  -3.086  -9.708  -0.553
  246   1HG2  ILE  35          1HG2      ILE  35  -4.918 -12.142  -0.623
  247   2HG2  ILE  35          2HG2      ILE  35  -5.150 -12.693  -2.282
  248   3HG2  ILE  35          3HG2      ILE  35  -6.054 -11.304  -1.680
  249   1HD1  ILE  35          1HD1      ILE  35  -4.357  -7.576  -1.549
  250   2HD1  ILE  35          2HD1      ILE  35  -4.346  -8.567  -3.008
  251   3HD1  ILE  35          3HD1      ILE  35  -2.827  -8.138  -2.222
  252   1HN   NH2  36          1HN       NH2  36  -2.898 -14.911  -2.707
  253   2HN   NH2  36          2HN       NH2  36  -3.437 -13.931  -1.326
  Start of MODEL    9
    1   1H    GLU   1          1H        GLU   1   8.997   7.482   3.136
    2   2H    GLU   1          2H        GLU   1   9.451   7.926   1.560
    3   3H    GLU   1          3H        GLU   1  10.519   8.178   2.857
    4    HA   GLU   1           HA       GLU   1  11.214   6.242   1.575
    5   1HB   GLU   1          2HB       GLU   1  10.260   6.217   4.395
    6   2HB   GLU   1          1HB       GLU   1  10.717   4.654   3.717
    7   1HG   GLU   1          2HG       GLU   1  12.933   5.306   3.355
    8   2HG   GLU   1          1HG       GLU   1  12.531   7.023   3.346
    9    H    CYS   2           H        CYS   2  10.641   3.760   1.483
   10    HA   CYS   2           HA       CYS   2   8.269   3.404  -0.082
   11   1HB   CYS   2          2HB       CYS   2  10.418   2.051  -0.061
   12   2HB   CYS   2          1HB       CYS   2   9.846   1.301   1.430
   13    H    LEU   3           H        LEU   3   6.305   2.295   0.443
   14    HA   LEU   3           HA       LEU   3   5.531   2.503   3.311
   15   1HB   LEU   3          2HB       LEU   3   3.977   2.174   0.724
   16   2HB   LEU   3          1HB       LEU   3   3.231   2.320   2.315
   17    HG   LEU   3           HG       LEU   3   5.184   4.390   1.306
   18   1HD1  LEU   3          1HD1      LEU   3   3.137   5.712   0.650
   19   2HD1  LEU   3          2HD1      LEU   3   2.192   4.235   0.843
   20   3HD1  LEU   3          3HD1      LEU   3   3.457   4.318  -0.383
   21   1HD2  LEU   3          1HD2      LEU   3   3.931   3.960   3.753
   22   2HD2  LEU   3          2HD2      LEU   3   2.919   5.186   2.989
   23   3HD2  LEU   3          3HD2      LEU   3   4.643   5.482   3.217
   24    H    GLY   4           H        GLY   4   5.700   0.639   4.477
   25   1HA   GLY   4          2HA       GLY   4   5.895  -1.973   3.211
   26   2HA   GLY   4          1HA       GLY   4   5.854  -1.666   4.947
   27    H    PHE   5           H        PHE   5   4.378  -3.603   4.909
   28    HA   PHE   5           HA       PHE   5   1.735  -3.368   3.703
   29   1HB   PHE   5          2HB       PHE   5   2.761  -5.530   4.068
   30   2HB   PHE   5          1HB       PHE   5   2.990  -5.188   5.781
   31    HD1  PHE   5           HD1      PHE   5   0.054  -4.771   3.465
   32    HD2  PHE   5           HD2      PHE   5   1.601  -6.558   7.054
   33    HE1  PHE   5           HE1      PHE   5  -2.185  -5.709   3.967
   34    HE2  PHE   5           HE2      PHE   5  -0.639  -7.495   7.552
   35    HZ   PHE   5           HZ       PHE   5  -2.532  -7.070   6.008
   36    H    GLY   6           H        GLY   6  -0.025  -2.351   4.565
   37   1HA   GLY   6          2HA       GLY   6  -1.502  -1.508   6.203
   38   2HA   GLY   6          1HA       GLY   6  -0.406  -2.094   7.452
   39    H    LYS   7           H        LYS   7   0.160   0.172   4.747
   40    HA   LYS   7           HA       LYS   7   1.047   2.212   6.766
   41   1HB   LYS   7          2HB       LYS   7   2.206   1.064   4.321
   42   2HB   LYS   7          1HB       LYS   7   2.231   2.826   4.331
   43   1HG   LYS   7          2HG       LYS   7   3.160   1.207   6.707
   44   2HG   LYS   7          1HG       LYS   7   4.251   1.643   5.391
   45   1HD   LYS   7          2HD       LYS   7   3.531   4.056   5.746
   46   2HD   LYS   7          1HD       LYS   7   2.735   3.515   7.223
   47   1HE   LYS   7          2HE       LYS   7   5.062   2.436   7.785
   48   2HE   LYS   7          1HE       LYS   7   5.679   3.595   6.590
   49   1HZ   LYS   7          1HZ       LYS   7   4.499   5.364   7.762
   50   2HZ   LYS   7          2HZ       LYS   7   5.619   4.599   8.786
   51   3HZ   LYS   7          3HZ       LYS   7   3.961   4.254   8.928
   52    H    GLY   8           H        GLY   8  -0.422   3.870   6.848
   53   1HA   GLY   8          2HA       GLY   8  -2.546   4.321   5.051
   54   2HA   GLY   8          1HA       GLY   8  -1.906   5.546   6.144
   55    H    CYS   9           H        CYS   9  -2.502   4.956   2.972
   56    HA   CYS   9           HA       CYS   9  -0.638   7.090   2.084
   57   1HB   CYS   9          2HB       CYS   9   0.118   5.615   0.204
   58   2HB   CYS   9          1HB       CYS   9   0.587   4.988   1.783
   59    H    ASN  10           H        ASN  10  -1.133   7.108  -0.585
   60    HA   ASN  10           HA       ASN  10  -4.122   7.306  -0.774
   61   1HB   ASN  10          2HB       ASN  10  -3.568   9.088  -2.498
   62   2HB   ASN  10          1HB       ASN  10  -3.071   9.477  -0.854
   63   1HD2  ASN  10          1HD2      ASN  10  -0.843   9.873  -0.498
   64   2HD2  ASN  10          2HD2      ASN  10   0.354   9.656  -1.682
   65    HA   PRO  11           HA       PRO  11  -3.910   4.287  -3.970
   66   1HB   PRO  11          2HB       PRO  11  -6.219   4.887  -5.317
   67   2HB   PRO  11          1HB       PRO  11  -6.194   4.061  -3.746
   68   1HG   PRO  11          2HG       PRO  11  -6.720   6.926  -4.368
   69   2HG   PRO  11          1HG       PRO  11  -7.507   5.864  -3.190
   70   1HD   PRO  11          2HD       PRO  11  -5.627   7.704  -2.505
   71   2HD   PRO  11          1HD       PRO  11  -5.880   6.191  -1.608
   72    H    SER  12           H        SER  12  -4.562   7.668  -4.947
   73    HA   SER  12           HA       SER  12  -4.058   7.434  -7.733
   74   1HB   SER  12          2HB       SER  12  -4.998   9.395  -6.473
   75   2HB   SER  12          1HB       SER  12  -3.376   9.734  -5.876
   76    HG   SER  12           HG       SER  12  -4.023  10.893  -7.822
   77    H    ASN  13           H        ASN  13  -1.762   8.480  -5.195
   78    HA   ASN  13           HA       ASN  13   0.491   7.666  -7.001
   79   1HB   ASN  13          2HB       ASN  13   0.029   9.834  -4.973
   80   2HB   ASN  13          1HB       ASN  13   1.679   9.275  -5.249
   81   1HD2  ASN  13          1HD2      ASN  13   2.748  10.347  -6.917
   82   2HD2  ASN  13          2HD2      ASN  13   1.987  11.134  -8.214
   83    H    ASP  14           H        ASP  14  -0.511   5.509  -5.782
   84    HA   ASP  14           HA       ASP  14   0.276   4.985  -3.081
   85   1HB   ASP  14          2HB       ASP  14  -0.139   2.648  -3.724
   86   2HB   ASP  14          1HB       ASP  14  -1.369   3.692  -4.431
   87    H    GLN  15           H        GLN  15   2.238   4.389  -2.214
   88    HA   GLN  15           HA       GLN  15   4.497   3.818  -4.111
   89   1HB   GLN  15          2HB       GLN  15   4.214   6.112  -2.785
   90   2HB   GLN  15          1HB       GLN  15   4.906   5.169  -1.465
   91   1HG   GLN  15          2HG       GLN  15   6.730   4.469  -3.130
   92   2HG   GLN  15          1HG       GLN  15   6.124   5.760  -4.168
   93   1HE2  GLN  15          1HE2      GLN  15   7.981   5.077  -1.275
   94   2HE2  GLN  15          2HE2      GLN  15   8.370   6.688  -0.909
   95    H    CYS  16           H        CYS  16   2.978   1.723  -2.991
   96    HA   CYS  16           HA       CYS  16   4.102   0.757  -0.490
   97   1HB   CYS  16          2HB       CYS  16   2.367  -0.296  -2.709
   98   2HB   CYS  16          1HB       CYS  16   2.976  -1.407  -1.482
   99    H    CYS  17           H        CYS  17   5.570  -1.052  -0.253
  100    HA   CYS  17           HA       CYS  17   7.812  -1.057  -2.073
  101   1HB   CYS  17          2HB       CYS  17   6.945  -2.363   0.439
  102   2HB   CYS  17          1HB       CYS  17   8.117  -3.279  -0.507
  103    H    LYS  18           H        LYS  18   8.205  -2.341  -3.831
  104    HA   LYS  18           HA       LYS  18   6.135  -4.138  -4.840
  105   1HB   LYS  18          2HB       LYS  18   7.608  -4.279  -6.764
  106   2HB   LYS  18          1HB       LYS  18   7.604  -2.610  -6.199
  107   1HG   LYS  18          2HG       LYS  18   9.702  -3.116  -4.901
  108   2HG   LYS  18          1HG       LYS  18   9.733  -4.704  -5.668
  109   1HD   LYS  18          2HD       LYS  18  10.209  -3.833  -7.773
  110   2HD   LYS  18          1HD       LYS  18   9.500  -2.264  -7.397
  111   1HE   LYS  18          2HE       LYS  18  11.768  -1.726  -7.285
  112   2HE   LYS  18          1HE       LYS  18  11.488  -2.205  -5.600
  113   1HZ   LYS  18          1HZ       LYS  18  13.383  -3.392  -6.554
  114   2HZ   LYS  18          2HZ       LYS  18  12.390  -4.019  -7.780
  115   3HZ   LYS  18          3HZ       LYS  18  12.129  -4.464  -6.161
  116    H    SER  19           H        SER  19   8.916  -4.566  -2.806
  117    HA   SER  19           HA       SER  19   9.752  -7.203  -3.474
  118   1HB   SER  19          2HB       SER  19  10.782  -5.505  -1.883
  119   2HB   SER  19          1HB       SER  19   9.553  -5.971  -0.710
  120    HG   SER  19           HG       SER  19  11.231  -7.293  -0.287
  121    H    SER  20           H        SER  20   7.183  -6.094  -1.240
  122    HA   SER  20           HA       SER  20   6.297  -8.913  -0.837
  123   1HB   SER  20          2HB       SER  20   4.816  -7.702   0.879
  124   2HB   SER  20          1HB       SER  20   6.551  -7.653   1.170
  125    HG   SER  20           HG       SER  20   6.177  -5.571   1.237
  126    H    ASN  21           H        ASN  21   5.703  -6.579  -3.104
  127    HA   ASN  21           HA       ASN  21   3.933  -6.138  -4.585
  128   1HB   ASN  21          2HB       ASN  21   4.194  -8.861  -4.143
  129   2HB   ASN  21          1HB       ASN  21   2.472  -8.590  -3.876
  130   1HD2  ASN  21          1HD2      ASN  21   5.082  -8.166  -6.288
  131   2HD2  ASN  21          2HD2      ASN  21   4.042  -8.038  -7.624
  132    H    LEU  22           H        LEU  22   3.321  -4.449  -2.857
  133    HA   LEU  22           HA       LEU  22   0.607  -5.080  -1.725
  134   1HB   LEU  22          2HB       LEU  22   2.779  -3.217  -0.700
  135   2HB   LEU  22          1HB       LEU  22   1.218  -3.490   0.071
  136    HG   LEU  22           HG       LEU  22   3.283  -5.654  -0.432
  137   1HD1  LEU  22          1HD1      LEU  22   3.599  -5.549   2.040
  138   2HD1  LEU  22          2HD1      LEU  22   2.553  -4.130   2.086
  139   3HD1  LEU  22          3HD1      LEU  22   4.095  -4.061   1.234
  140   1HD2  LEU  22          1HD2      LEU  22   0.676  -5.598   1.122
  141   2HD2  LEU  22          2HD2      LEU  22   1.826  -6.934   1.148
  142   3HD2  LEU  22          3HD2      LEU  22   0.996  -6.515  -0.350
  143    H    VAL  23           H        VAL  23  -0.888  -3.221  -1.691
  144    HA   VAL  23           HA       VAL  23  -0.147  -0.938  -3.475
  145    HB   VAL  23           HB       VAL  23  -2.279  -1.278  -4.713
  146   1HG1  VAL  23          1HG1      VAL  23  -0.085  -2.327  -5.439
  147   2HG1  VAL  23          2HG1      VAL  23  -1.535  -3.116  -6.060
  148   3HG1  VAL  23          3HG1      VAL  23  -0.652  -3.830  -4.711
  149   1HG2  VAL  23          1HG2      VAL  23  -3.657  -2.405  -3.120
  150   2HG2  VAL  23          2HG2      VAL  23  -2.469  -3.686  -2.890
  151   3HG2  VAL  23          3HG2      VAL  23  -3.365  -3.577  -4.405
  152    H    CYS  24           H        CYS  24  -1.534   0.938  -3.167
  153    HA   CYS  24           HA       CYS  24  -2.498   1.252  -0.427
  154   1HB   CYS  24          2HB       CYS  24  -2.372   2.949  -2.924
  155   2HB   CYS  24          1HB       CYS  24  -3.147   3.542  -1.456
  156    H    SER  25           H        SER  25  -4.585   0.956   0.266
  157    HA   SER  25           HA       SER  25  -6.655   0.113  -1.664
  158   1HB   SER  25          2HB       SER  25  -6.149  -0.984   0.555
  159   2HB   SER  25          1HB       SER  25  -6.760   0.464   1.349
  160    HG   SER  25           HG       SER  25  -8.541  -0.722   1.194
  161    H    ARG  26           H        ARG  26  -8.859   1.100  -1.543
  162    HA   ARG  26           HA       ARG  26  -8.683   4.064  -1.305
  163   1HB   ARG  26          2HB       ARG  26 -10.618   4.051  -2.750
  164   2HB   ARG  26          1HB       ARG  26  -9.485   2.862  -3.388
  165   1HG   ARG  26          2HG       ARG  26 -10.743   1.045  -2.349
  166   2HG   ARG  26          1HG       ARG  26 -11.826   2.200  -1.574
  167   1HD   ARG  26          2HD       ARG  26 -11.494   2.101  -4.585
  168   2HD   ARG  26          1HD       ARG  26 -12.715   1.136  -3.732
  169    HE   ARG  26           HE       ARG  26 -13.367   3.447  -2.680
  170   1HH1  ARG  26          1HH2      ARG  26 -11.297   4.664  -4.686
  171   2HH1  ARG  26          2HH2      ARG  26 -12.380   5.308  -5.873
  172   1HH2  ARG  26          2HH1      ARG  26 -15.131   3.529  -4.711
  173   2HH2  ARG  26          1HH1      ARG  26 -14.557   4.664  -5.888
  174    H    LYS  27           H        LYS  27 -10.391   1.277   0.073
  175    HA   LYS  27           HA       LYS  27 -12.285   2.904   1.606
  176   1HB   LYS  27          2HB       LYS  27 -12.126   0.301   0.719
  177   2HB   LYS  27          1HB       LYS  27 -11.736   0.121   2.430
  178   1HG   LYS  27          2HG       LYS  27 -14.007   1.927   1.868
  179   2HG   LYS  27          1HG       LYS  27 -14.285   0.239   1.440
  180   1HD   LYS  27          2HD       LYS  27 -12.985   0.219   3.958
  181   2HD   LYS  27          1HD       LYS  27 -14.246   1.448   4.056
  182   1HE   LYS  27          2HE       LYS  27 -15.700  -0.443   2.854
  183   2HE   LYS  27          1HE       LYS  27 -14.514  -1.505   3.636
  184   1HZ   LYS  27          1HZ       LYS  27 -16.347  -1.029   5.139
  185   2HZ   LYS  27          2HZ       LYS  27 -16.079   0.640   4.978
  186   3HZ   LYS  27          3HZ       LYS  27 -14.912  -0.343   5.727
  187    H    HIS  28           H        HIS  28  -9.331   1.043   2.316
  188    HA   HIS  28           HA       HIS  28  -9.286   2.027   5.114
  189   1HB   HIS  28          2HB       HIS  28  -7.671   0.082   3.449
  190   2HB   HIS  28          1HB       HIS  28  -7.193   0.524   5.088
  191    HD1  HIS  28           HD1      HIS  28  -8.786  -0.196   7.039
  192    HD2  HIS  28           HD2      HIS  28  -9.937  -1.607   3.289
  193    HE1  HIS  28           HE1      HIS  28 -10.537  -1.979   7.451
  194    H    ALA  29           H        ALA  29  -7.938   2.853   2.022
  195    HA   ALA  29           HA       ALA  29  -6.375   4.481   1.362
  196   1HB   ALA  29          1HB       ALA  29  -6.615   5.608   4.142
  197   2HB   ALA  29          2HB       ALA  29  -8.013   5.620   3.067
  198   3HB   ALA  29          3HB       ALA  29  -6.537   6.464   2.602
  199    H    TRP  30           H        TRP  30  -5.259   2.039   2.414
  200    HA   TRP  30           HA       TRP  30  -2.620   3.074   3.247
  201   1HB   TRP  30          2HB       TRP  30  -2.550   1.912   5.309
  202   2HB   TRP  30          1HB       TRP  30  -4.150   2.637   5.274
  203    HD1  TRP  30           HD1      TRP  30  -5.239   0.299   3.153
  204    HE1  TRP  30           HE1      TRP  30  -5.884  -1.970   4.183
  205    HE3  TRP  30           HE3      TRP  30  -2.720   0.597   7.580
  206    HZ2  TRP  30           HZ2      TRP  30  -5.394  -3.467   6.570
  207    HZ3  TRP  30           HZ3      TRP  30  -2.826  -1.263   9.213
  208    HH2  TRP  30           HH2      TRP  30  -4.159  -3.293   8.715
  209    H    CYS  31           H        CYS  31  -0.985   1.205   3.315
  210    HA   CYS  31           HA       CYS  31  -1.100  -0.282   0.854
  211   1HB   CYS  31          2HB       CYS  31   0.862   0.571   2.405
  212   2HB   CYS  31          1HB       CYS  31   0.675  -1.006   3.171
  213    H    LYS  32           H        LYS  32  -1.681  -2.434   0.483
  214    HA   LYS  32           HA       LYS  32  -2.431  -4.131   2.823
  215   1HB   LYS  32          2HB       LYS  32  -4.200  -2.684   1.120
  216   2HB   LYS  32          1HB       LYS  32  -4.378  -4.393   0.721
  217   1HG   LYS  32          2HG       LYS  32  -4.316  -3.534   3.601
  218   2HG   LYS  32          1HG       LYS  32  -5.806  -3.377   2.672
  219   1HD   LYS  32          2HD       LYS  32  -5.518  -5.818   2.015
  220   2HD   LYS  32          1HD       LYS  32  -4.236  -5.904   3.225
  221   1HE   LYS  32          2HE       LYS  32  -5.794  -5.280   4.997
  222   2HE   LYS  32          1HE       LYS  32  -7.090  -5.036   3.811
  223   1HZ   LYS  32          1HZ       LYS  32  -6.870  -7.338   3.127
  224   2HZ   LYS  32          2HZ       LYS  32  -7.189  -7.259   4.794
  225   3HZ   LYS  32          3HZ       LYS  32  -5.615  -7.584   4.243
  226    H    TYR  33           H        TYR  33  -2.647  -6.421   2.231
  227    HA   TYR  33           HA       TYR  33  -0.746  -7.225   0.125
  228   1HB   TYR  33          2HB       TYR  33  -1.840  -8.226   2.619
  229   2HB   TYR  33          1HB       TYR  33  -1.959  -9.458   1.363
  230    HD1  TYR  33           HD1      TYR  33   0.193  -9.766  -0.136
  231    HD2  TYR  33           HD2      TYR  33   0.178  -7.968   3.766
  232    HE1  TYR  33           HE1      TYR  33   2.619 -10.223   0.084
  233    HE2  TYR  33           HE2      TYR  33   2.604  -8.425   3.985
  234    HH   TYR  33           HH       TYR  33   4.224 -10.474   2.570
  235    H    GLU  34           H        GLU  34  -1.349  -8.909  -1.462
  236    HA   GLU  34           HA       GLU  34  -4.157  -8.558  -2.427
  237   1HB   GLU  34          2HB       GLU  34  -1.456  -9.010  -3.608
  238   2HB   GLU  34          1HB       GLU  34  -2.815  -9.747  -4.457
  239   1HG   GLU  34          2HG       GLU  34  -2.458  -7.520  -5.363
  240   2HG   GLU  34          1HG       GLU  34  -3.964  -7.519  -4.447
  241    H    ILE  35           H        ILE  35  -4.787 -10.163  -0.675
  242    HA   ILE  35           HA       ILE  35  -5.454 -12.314  -0.008
  243    HB   ILE  35           HB       ILE  35  -4.939 -12.842  -2.956
  244   1HG1  ILE  35          2HG1      ILE  35  -7.689 -12.486  -2.434
  245   2HG1  ILE  35          1HG1      ILE  35  -6.876 -11.178  -1.577
  246   1HG2  ILE  35          1HG2      ILE  35  -6.995 -14.421  -2.411
  247   2HG2  ILE  35          2HG2      ILE  35  -6.349 -14.336  -0.772
  248   3HG2  ILE  35          3HG2      ILE  35  -5.348 -14.959  -2.083
  249   1HD1  ILE  35          1HD1      ILE  35  -6.305 -10.134  -3.502
  250   2HD1  ILE  35          2HD1      ILE  35  -7.480 -11.194  -4.281
  251   3HD1  ILE  35          3HD1      ILE  35  -5.774 -11.639  -4.254
  252   1HN   NH2  36          1HN       NH2  36  -2.505 -13.893   0.982
  253   2HN   NH2  36          2HN       NH2  36  -4.154 -13.335   1.340
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1  13.125   3.808  -0.820
    2   2H    GLU   1          2H        GLU   1  14.052   4.527   0.409
    3   3H    GLU   1          3H        GLU   1  12.583   5.232  -0.074
    4    HA   GLU   1           HA       GLU   1  12.889   2.598   1.286
    5   1HB   GLU   1          2HB       GLU   1  13.368   4.545   2.696
    6   2HB   GLU   1          1HB       GLU   1  11.888   5.333   2.152
    7   1HG   GLU   1          2HG       GLU   1  11.510   4.318   4.344
    8   2HG   GLU   1          1HG       GLU   1  10.566   3.458   3.129
    9    H    CYS   2           H        CYS   2  11.149   1.278   0.950
   10    HA   CYS   2           HA       CYS   2   8.731   2.401  -0.400
   11   1HB   CYS   2          2HB       CYS   2   8.418   0.166  -1.198
   12   2HB   CYS   2          1HB       CYS   2  10.152   0.464  -1.307
   13    H    LEU   3           H        LEU   3   6.605   1.424   0.324
   14    HA   LEU   3           HA       LEU   3   6.486   1.348   3.299
   15   1HB   LEU   3          2HB       LEU   3   4.402   1.612   1.106
   16   2HB   LEU   3          1HB       LEU   3   4.038   1.666   2.828
   17    HG   LEU   3           HG       LEU   3   6.121   3.506   1.676
   18   1HD1  LEU   3          1HD1      LEU   3   3.171   4.172   1.839
   19   2HD1  LEU   3          2HD1      LEU   3   3.958   3.667   0.344
   20   3HD1  LEU   3          3HD1      LEU   3   4.461   5.155   1.145
   21   1HD2  LEU   3          1HD2      LEU   3   4.265   3.483   4.067
   22   2HD2  LEU   3          2HD2      LEU   3   5.127   4.938   3.566
   23   3HD2  LEU   3          3HD2      LEU   3   6.029   3.505   4.060
   24    H    GLY   4           H        GLY   4   6.543  -0.669   4.209
   25   1HA   GLY   4          2HA       GLY   4   6.094  -3.092   2.701
   26   2HA   GLY   4          1HA       GLY   4   6.312  -2.996   4.447
   27    H    PHE   5           H        PHE   5   4.496  -4.793   3.719
   28    HA   PHE   5           HA       PHE   5   1.817  -3.966   3.213
   29   1HB   PHE   5          2HB       PHE   5   2.645  -6.271   3.045
   30   2HB   PHE   5          1HB       PHE   5   2.960  -6.307   4.778
   31    HD1  PHE   5           HD1      PHE   5   0.267  -6.044   2.219
   32    HD2  PHE   5           HD2      PHE   5   1.219  -6.751   6.348
   33    HE1  PHE   5           HE1      PHE   5  -2.065  -6.776   2.633
   34    HE2  PHE   5           HE2      PHE   5  -1.114  -7.483   6.760
   35    HZ   PHE   5           HZ       PHE   5  -2.756  -7.496   4.901
   36    H    GLY   6           H        GLY   6   0.496  -2.735   4.484
   37   1HA   GLY   6          2HA       GLY   6  -0.707  -2.411   6.582
   38   2HA   GLY   6          1HA       GLY   6   0.720  -2.976   7.448
   39    H    LYS   7           H        LYS   7   2.501  -1.271   5.687
   40    HA   LYS   7           HA       LYS   7   2.618   1.064   7.348
   41   1HB   LYS   7          2HB       LYS   7   4.322  -0.187   5.725
   42   2HB   LYS   7          1HB       LYS   7   3.741   1.010   4.568
   43   1HG   LYS   7          2HG       LYS   7   5.609   2.045   5.597
   44   2HG   LYS   7          1HG       LYS   7   4.212   2.756   6.405
   45   1HD   LYS   7          2HD       LYS   7   5.070   0.285   7.700
   46   2HD   LYS   7          1HD       LYS   7   6.361   1.486   7.654
   47   1HE   LYS   7          2HE       LYS   7   5.163   3.024   8.944
   48   2HE   LYS   7          1HE       LYS   7   3.593   2.338   8.483
   49   1HZ   LYS   7          1HZ       LYS   7   4.142   0.327   9.699
   50   2HZ   LYS   7          2HZ       LYS   7   4.224   1.671  10.734
   51   3HZ   LYS   7          3HZ       LYS   7   5.651   0.968  10.138
   52    H    GLY   8           H        GLY   8   1.681   3.086   7.094
   53   1HA   GLY   8          2HA       GLY   8  -0.659   3.466   5.580
   54   2HA   GLY   8          1HA       GLY   8   0.320   4.785   6.215
   55    H    CYS   9           H        CYS   9  -1.104   4.430   3.587
   56    HA   CYS   9           HA       CYS   9   1.135   5.315   1.847
   57   1HB   CYS   9          2HB       CYS   9   1.208   3.055   1.280
   58   2HB   CYS   9          1HB       CYS   9  -0.503   2.811   1.617
   59    H    ASN  10           H        ASN  10   0.321   6.464  -0.073
   60    HA   ASN  10           HA       ASN  10  -2.303   7.754   0.404
   61   1HB   ASN  10          2HB       ASN  10   0.036   8.779  -0.268
   62   2HB   ASN  10          1HB       ASN  10  -0.448   8.315  -1.899
   63   1HD2  ASN  10          1HD2      ASN  10  -0.991  10.623   0.667
   64   2HD2  ASN  10          2HD2      ASN  10  -2.190  11.524  -0.127
   65    HA   PRO  11           HA       PRO  11  -4.242   4.993  -2.511
   66   1HB   PRO  11          2HB       PRO  11  -6.605   6.371  -2.761
   67   2HB   PRO  11          1HB       PRO  11  -6.219   5.345  -1.365
   68   1HG   PRO  11          2HG       PRO  11  -6.039   8.309  -1.639
   69   2HG   PRO  11          1HG       PRO  11  -6.611   7.335  -0.274
   70   1HD   PRO  11          2HD       PRO  11  -4.152   8.462  -0.328
   71   2HD   PRO  11          1HD       PRO  11  -4.483   6.924   0.500
   72    H    SER  12           H        SER  12  -4.339   8.541  -3.044
   73    HA   SER  12           HA       SER  12  -4.781   8.377  -5.901
   74   1HB   SER  12          2HB       SER  12  -5.237  10.340  -4.395
   75   2HB   SER  12          1HB       SER  12  -3.498  10.566  -4.231
   76    HG   SER  12           HG       SER  12  -5.190  11.111  -6.349
   77    H    ASN  13           H        ASN  13  -1.896   8.612  -3.847
   78    HA   ASN  13           HA       ASN  13  -0.193   8.047  -6.255
   79   1HB   ASN  13          2HB       ASN  13   0.294   9.756  -3.791
   80   2HB   ASN  13          1HB       ASN  13   1.545   9.368  -4.972
   81   1HD2  ASN  13          1HD2      ASN  13   1.188  10.171  -7.236
   82   2HD2  ASN  13          2HD2      ASN  13   0.199  11.525  -7.495
   83    H    ASP  14           H        ASP  14  -0.754   5.745  -5.514
   84    HA   ASP  14           HA       ASP  14   0.064   4.662  -3.011
   85   1HB   ASP  14          2HB       ASP  14  -0.135   2.524  -4.174
   86   2HB   ASP  14          1HB       ASP  14  -1.413   3.602  -4.731
   87    H    GLN  15           H        GLN  15   2.031   4.019  -2.223
   88    HA   GLN  15           HA       GLN  15   4.369   3.876  -4.071
   89   1HB   GLN  15          2HB       GLN  15   3.863   6.122  -2.732
   90   2HB   GLN  15          1HB       GLN  15   4.620   5.233  -1.409
   91   1HG   GLN  15          2HG       GLN  15   6.663   5.032  -2.542
   92   2HG   GLN  15          1HG       GLN  15   5.927   5.333  -4.116
   93   1HE2  GLN  15          1HE2      GLN  15   6.956   6.934  -1.094
   94   2HE2  GLN  15          2HE2      GLN  15   6.971   8.503  -1.740
   95    H    CYS  16           H        CYS  16   2.868   1.727  -2.790
   96    HA   CYS  16           HA       CYS  16   4.258   0.833  -0.392
   97   1HB   CYS  16          2HB       CYS  16   2.429  -0.465  -2.431
   98   2HB   CYS  16          1HB       CYS  16   3.014  -1.309  -0.999
   99    H    CYS  17           H        CYS  17   5.438  -1.362  -0.444
  100    HA   CYS  17           HA       CYS  17   7.710  -1.214  -2.212
  101   1HB   CYS  17          2HB       CYS  17   7.031  -2.437   0.173
  102   2HB   CYS  17          1HB       CYS  17   7.142  -3.805  -0.935
  103    H    LYS  18           H        LYS  18   7.695  -1.780  -4.334
  104    HA   LYS  18           HA       LYS  18   5.565  -3.336  -5.553
  105   1HB   LYS  18          2HB       LYS  18   8.208  -2.162  -6.421
  106   2HB   LYS  18          1HB       LYS  18   7.238  -3.134  -7.529
  107   1HG   LYS  18          2HG       LYS  18   5.345  -1.622  -7.273
  108   2HG   LYS  18          1HG       LYS  18   6.213  -0.692  -6.050
  109   1HD   LYS  18          2HD       LYS  18   7.966  -0.171  -7.755
  110   2HD   LYS  18          1HD       LYS  18   6.984  -0.994  -8.967
  111   1HE   LYS  18          2HE       LYS  18   5.146   0.596  -8.607
  112   2HE   LYS  18          1HE       LYS  18   6.077   1.404  -7.331
  113   1HZ   LYS  18          1HZ       LYS  18   6.377   2.511  -9.472
  114   2HZ   LYS  18          2HZ       LYS  18   6.953   1.066 -10.154
  115   3HZ   LYS  18          3HZ       LYS  18   7.836   1.842  -8.926
  116    H    SER  19           H        SER  19   8.675  -4.137  -4.153
  117    HA   SER  19           HA       SER  19   9.295  -6.550  -5.536
  118   1HB   SER  19          2HB       SER  19  10.592  -7.022  -3.453
  119   2HB   SER  19          1HB       SER  19  10.818  -5.371  -4.020
  120    HG   SER  19           HG       SER  19  10.242  -5.878  -1.667
  121    H    SER  20           H        SER  20   7.144  -5.949  -2.751
  122    HA   SER  20           HA       SER  20   6.389  -8.838  -2.696
  123   1HB   SER  20          2HB       SER  20   7.098  -7.373  -0.673
  124   2HB   SER  20          1HB       SER  20   5.500  -6.648  -0.815
  125    HG   SER  20           HG       SER  20   4.641  -8.424  -0.066
  126    H    ASN  21           H        ASN  21   5.452  -6.495  -4.632
  127    HA   ASN  21           HA       ASN  21   3.445  -5.821  -5.668
  128   1HB   ASN  21          2HB       ASN  21   3.390  -8.682  -5.000
  129   2HB   ASN  21          1HB       ASN  21   1.783  -8.001  -5.249
  130   1HD2  ASN  21          1HD2      ASN  21   1.356  -6.949  -7.373
  131   2HD2  ASN  21          2HD2      ASN  21   2.303  -7.352  -8.723
  132    H    LEU  22           H        LEU  22   3.302  -4.276  -3.673
  133    HA   LEU  22           HA       LEU  22   0.932  -4.963  -1.970
  134   1HB   LEU  22          2HB       LEU  22   3.273  -3.062  -1.652
  135   2HB   LEU  22          1HB       LEU  22   1.912  -3.114  -0.531
  136    HG   LEU  22           HG       LEU  22   3.519  -5.581  -1.222
  137   1HD1  LEU  22          1HD1      LEU  22   4.122  -4.602   1.397
  138   2HD1  LEU  22          2HD1      LEU  22   4.400  -3.294   0.248
  139   3HD1  LEU  22          3HD1      LEU  22   5.225  -4.838   0.042
  140   1HD2  LEU  22          1HD2      LEU  22   1.635  -4.807   1.027
  141   2HD2  LEU  22          2HD2      LEU  22   2.590  -6.290   1.015
  142   3HD2  LEU  22          3HD2      LEU  22   1.357  -6.025  -0.218
  143    H    VAL  23           H        VAL  23  -0.916  -3.772  -2.243
  144    HA   VAL  23           HA       VAL  23  -0.825  -1.405  -4.080
  145    HB   VAL  23           HB       VAL  23  -3.211  -3.034  -3.153
  146   1HG1  VAL  23          1HG1      VAL  23  -2.689  -1.051  -5.365
  147   2HG1  VAL  23          2HG1      VAL  23  -3.962  -1.027  -4.145
  148   3HG1  VAL  23          3HG1      VAL  23  -4.026  -2.198  -5.462
  149   1HG2  VAL  23          1HG2      VAL  23  -2.928  -4.119  -5.481
  150   2HG2  VAL  23          2HG2      VAL  23  -1.827  -4.653  -4.212
  151   3HG2  VAL  23          3HG2      VAL  23  -1.275  -3.503  -5.430
  152    H    CYS  24           H        CYS  24  -2.380   0.398  -3.456
  153    HA   CYS  24           HA       CYS  24  -2.143   0.959  -0.558
  154   1HB   CYS  24          2HB       CYS  24  -1.692   2.468  -2.707
  155   2HB   CYS  24          1HB       CYS  24  -3.416   2.807  -2.541
  156    H    SER  25           H        SER  25  -3.999   1.579   0.725
  157    HA   SER  25           HA       SER  25  -6.600   0.476  -0.294
  158   1HB   SER  25          2HB       SER  25  -5.457   0.714   2.508
  159   2HB   SER  25          1HB       SER  25  -7.037   0.042   2.120
  160    HG   SER  25           HG       SER  25  -5.925  -1.743   1.949
  161    H    ARG  26           H        ARG  26  -8.525   1.666   0.260
  162    HA   ARG  26           HA       ARG  26  -8.061   4.581   0.661
  163   1HB   ARG  26          2HB       ARG  26 -10.117   2.797  -0.557
  164   2HB   ARG  26          1HB       ARG  26 -10.696   4.321   0.118
  165   1HG   ARG  26          2HG       ARG  26  -8.271   4.324  -1.656
  166   2HG   ARG  26          1HG       ARG  26  -9.876   4.235  -2.381
  167   1HD   ARG  26          2HD       ARG  26 -10.004   6.255  -0.378
  168   2HD   ARG  26          1HD       ARG  26  -8.536   6.553  -1.329
  169    HE   ARG  26           HE       ARG  26 -11.226   6.147  -2.590
  170   1HH1  ARG  26          2HH1      ARG  26  -8.864   6.026  -4.405
  171   2HH1  ARG  26          1HH1      ARG  26  -8.721   7.666  -4.942
  172   1HH2  ARG  26          1HH2      ARG  26 -10.722   8.949  -2.406
  173   2HH2  ARG  26          2HH2      ARG  26  -9.776   9.327  -3.807
  174    H    LYS  27           H        LYS  27  -9.872   1.847   2.066
  175    HA   LYS  27           HA       LYS  27 -11.140   3.425   4.155
  176   1HB   LYS  27          2HB       LYS  27 -11.530   0.993   2.995
  177   2HB   LYS  27          1HB       LYS  27 -10.725   0.504   4.485
  178   1HG   LYS  27          2HG       LYS  27 -12.560   0.948   5.718
  179   2HG   LYS  27          1HG       LYS  27 -12.734   2.547   4.994
  180   1HD   LYS  27          2HD       LYS  27 -14.197   1.812   3.381
  181   2HD   LYS  27          1HD       LYS  27 -13.448   0.218   3.281
  182   1HE   LYS  27          2HE       LYS  27 -14.435  -0.317   5.541
  183   2HE   LYS  27          1HE       LYS  27 -15.322   1.217   5.453
  184   1HZ   LYS  27          1HZ       LYS  27 -16.253   0.519   3.332
  185   2HZ   LYS  27          2HZ       LYS  27 -16.642  -0.604   4.545
  186   3HZ   LYS  27          3HZ       LYS  27 -15.417  -0.955   3.422
  187    H    HIS  28           H        HIS  28  -8.244   1.370   3.963
  188    HA   HIS  28           HA       HIS  28  -7.593   1.939   6.812
  189   1HB   HIS  28          2HB       HIS  28  -6.514   0.081   4.679
  190   2HB   HIS  28          1HB       HIS  28  -5.757   0.246   6.262
  191    HD1  HIS  28           HD1      HIS  28  -8.087   0.309   8.157
  192    HD2  HIS  28           HD2      HIS  28  -8.005  -2.236   4.855
  193    HE1  HIS  28           HE1      HIS  28  -9.708  -1.571   8.660
  194    H    ALA  29           H        ALA  29  -6.705   2.968   3.599
  195    HA   ALA  29           HA       ALA  29  -5.079   4.490   2.829
  196   1HB   ALA  29          1HB       ALA  29  -4.801   6.345   4.260
  197   2HB   ALA  29          2HB       ALA  29  -4.817   5.342   5.711
  198   3HB   ALA  29          3HB       ALA  29  -6.313   5.634   4.825
  199    H    TRP  30           H        TRP  30  -4.047   1.944   3.268
  200    HA   TRP  30           HA       TRP  30  -1.243   2.561   4.006
  201   1HB   TRP  30          2HB       TRP  30  -1.132   0.816   5.658
  202   2HB   TRP  30          1HB       TRP  30  -2.511   1.830   6.055
  203    HD1  TRP  30           HD1      TRP  30  -3.869   0.055   3.316
  204    HE1  TRP  30           HE1      TRP  30  -5.088  -2.105   4.019
  205    HE3  TRP  30           HE3      TRP  30  -2.001  -0.489   8.012
  206    HZ2  TRP  30           HZ2      TRP  30  -5.246  -3.838   6.294
  207    HZ3  TRP  30           HZ3      TRP  30  -2.696  -2.399   9.438
  208    HH2  TRP  30           HH2      TRP  30  -4.316  -4.072   8.584
  209    H    CYS  31           H        CYS  31  -0.141   0.057   3.850
  210    HA   CYS  31           HA       CYS  31  -0.530  -0.608   0.993
  211   1HB   CYS  31          2HB       CYS  31   1.447  -1.355   3.158
  212   2HB   CYS  31          1HB       CYS  31   1.498  -2.086   1.555
  213    H    LYS  32           H        LYS  32  -1.336  -2.582   0.262
  214    HA   LYS  32           HA       LYS  32  -2.078  -4.658   2.282
  215   1HB   LYS  32          2HB       LYS  32  -4.332  -4.756   1.217
  216   2HB   LYS  32          1HB       LYS  32  -4.009  -3.179   1.934
  217   1HG   LYS  32          2HG       LYS  32  -3.735  -2.139  -0.137
  218   2HG   LYS  32          1HG       LYS  32  -3.321  -3.646  -0.953
  219   1HD   LYS  32          2HD       LYS  32  -5.989  -3.775   0.197
  220   2HD   LYS  32          1HD       LYS  32  -5.837  -2.413  -0.911
  221   1HE   LYS  32          2HE       LYS  32  -4.517  -4.659  -2.108
  222   2HE   LYS  32          1HE       LYS  32  -6.131  -5.175  -1.583
  223   1HZ   LYS  32          1HZ       LYS  32  -7.077  -3.224  -2.635
  224   2HZ   LYS  32          2HZ       LYS  32  -6.200  -4.125  -3.777
  225   3HZ   LYS  32          3HZ       LYS  32  -5.539  -2.702  -3.126
  226    H    TYR  33           H        TYR  33  -3.119  -6.599   0.843
  227    HA   TYR  33           HA       TYR  33  -1.140  -7.120  -1.348
  228   1HB   TYR  33          2HB       TYR  33  -1.965  -8.525   0.986
  229   2HB   TYR  33          1HB       TYR  33  -2.543  -9.452  -0.399
  230    HD1  TYR  33           HD1      TYR  33  -0.993 -10.434  -2.001
  231    HD2  TYR  33           HD2      TYR  33   0.435  -8.099   1.310
  232    HE1  TYR  33           HE1      TYR  33   1.309 -11.257  -2.412
  233    HE2  TYR  33           HE2      TYR  33   2.736  -8.923   0.898
  234    HH   TYR  33           HH       TYR  33   3.594 -11.377  -0.464
  235    H    GLU  34           H        GLU  34  -2.012  -8.568  -3.121
  236    HA   GLU  34           HA       GLU  34  -4.651  -7.569  -4.017
  237   1HB   GLU  34          2HB       GLU  34  -3.929  -8.552  -6.165
  238   2HB   GLU  34          1HB       GLU  34  -2.650  -7.550  -5.483
  239   1HG   GLU  34          2HG       GLU  34  -2.411 -10.262  -4.497
  240   2HG   GLU  34          1HG       GLU  34  -2.460 -10.261  -6.259
  241    H    ILE  35           H        ILE  35  -5.169  -9.183  -1.895
  242    HA   ILE  35           HA       ILE  35  -6.573 -11.464  -3.139
  243    HB   ILE  35           HB       ILE  35  -4.260 -12.248  -2.639
  244   1HG1  ILE  35          2HG1      ILE  35  -5.854 -13.647  -0.564
  245   2HG1  ILE  35          1HG1      ILE  35  -6.601 -13.546  -2.158
  246   1HG2  ILE  35          1HG2      ILE  35  -4.941 -11.885   0.283
  247   2HG2  ILE  35          2HG2      ILE  35  -4.055 -10.659  -0.623
  248   3HG2  ILE  35          3HG2      ILE  35  -3.378 -12.276  -0.435
  249   1HD1  ILE  35          1HD1      ILE  35  -5.005 -15.556  -1.621
  250   2HD1  ILE  35          2HD1      ILE  35  -3.723 -14.380  -1.913
  251   3HD1  ILE  35          3HD1      ILE  35  -4.884 -14.754  -3.187
  252   1HN   NH2  36          1HN       NH2  36  -8.702 -11.529  -0.149
  253   2HN   NH2  36          2HN       NH2  36  -7.814 -12.742  -1.096
  Start of MODEL   11
    1   1H    GLU   1          1H        GLU   1  11.226   8.769  -0.765
    2   2H    GLU   1          2H        GLU   1  11.079   9.940   0.456
    3   3H    GLU   1          3H        GLU   1   9.704   9.416  -0.394
    4    HA   GLU   1           HA       GLU   1  11.361   7.643   1.330
    5   1HB   GLU   1          2HB       GLU   1   9.720   8.046   3.048
    6   2HB   GLU   1          1HB       GLU   1  10.232   9.624   2.457
    7   1HG   GLU   1          2HG       GLU   1   8.000  10.023   2.246
    8   2HG   GLU   1          1HG       GLU   1   8.143   9.075   0.767
    9    H    CYS   2           H        CYS   2   9.978   5.704   1.942
   10    HA   CYS   2           HA       CYS   2   7.974   4.993  -0.168
   11   1HB   CYS   2          2HB       CYS   2  10.413   4.182  -0.514
   12   2HB   CYS   2          1HB       CYS   2  10.101   3.099   0.843
   13    H    LEU   3           H        LEU   3   6.405   3.441   0.536
   14    HA   LEU   3           HA       LEU   3   6.148   3.239   3.503
   15   1HB   LEU   3          2HB       LEU   3   4.191   2.777   1.227
   16   2HB   LEU   3          1HB       LEU   3   3.780   2.772   2.940
   17    HG   LEU   3           HG       LEU   3   5.254   5.174   2.093
   18   1HD1  LEU   3          1HD1      LEU   3   4.053   5.680   0.261
   19   2HD1  LEU   3          2HD1      LEU   3   2.606   5.719   1.266
   20   3HD1  LEU   3          3HD1      LEU   3   3.073   4.227   0.452
   21   1HD2  LEU   3          1HD2      LEU   3   2.977   6.050   3.227
   22   2HD2  LEU   3          2HD2      LEU   3   4.320   5.430   4.187
   23   3HD2  LEU   3          3HD2      LEU   3   2.945   4.388   3.818
   24    H    GLY   4           H        GLY   4   6.517   1.289   4.479
   25   1HA   GLY   4          2HA       GLY   4   7.170  -1.064   2.868
   26   2HA   GLY   4          1HA       GLY   4   7.208  -0.968   4.629
   27    H    PHE   5           H        PHE   5   6.095  -3.036   4.723
   28    HA   PHE   5           HA       PHE   5   3.400  -3.284   3.580
   29   1HB   PHE   5          2HB       PHE   5   4.991  -5.173   3.781
   30   2HB   PHE   5          1HB       PHE   5   4.973  -4.994   5.535
   31    HD1  PHE   5           HD1      PHE   5   3.453  -6.253   6.783
   32    HD2  PHE   5           HD2      PHE   5   2.601  -5.422   2.653
   33    HE1  PHE   5           HE1      PHE   5   1.426  -7.676   6.914
   34    HE2  PHE   5           HE2      PHE   5   0.575  -6.846   2.786
   35    HZ   PHE   5           HZ       PHE   5  -0.012  -7.972   4.916
   36    H    GLY   6           H        GLY   6   1.479  -2.993   4.680
   37   1HA   GLY   6          2HA       GLY   6  -0.003  -2.531   6.441
   38   2HA   GLY   6          1HA       GLY   6   1.294  -2.902   7.574
   39    H    LYS   7           H        LYS   7   1.936  -0.532   5.104
   40    HA   LYS   7           HA       LYS   7   2.168   1.561   7.188
   41   1HB   LYS   7          2HB       LYS   7   3.755   0.839   5.143
   42   2HB   LYS   7          1HB       LYS   7   2.756   2.016   4.291
   43   1HG   LYS   7          2HG       LYS   7   4.480   3.358   5.128
   44   2HG   LYS   7          1HG       LYS   7   3.238   3.539   6.367
   45   1HD   LYS   7          2HD       LYS   7   4.430   1.418   7.414
   46   2HD   LYS   7          1HD       LYS   7   5.801   1.987   6.462
   47   1HE   LYS   7          2HE       LYS   7   5.493   4.266   7.522
   48   2HE   LYS   7          1HE       LYS   7   4.300   3.525   8.606
   49   1HZ   LYS   7          1HZ       LYS   7   6.515   3.455   9.585
   50   2HZ   LYS   7          2HZ       LYS   7   7.107   2.610   8.235
   51   3HZ   LYS   7          3HZ       LYS   7   5.958   1.887   9.258
   52    H    GLY   8           H        GLY   8   0.375   2.799   7.571
   53   1HA   GLY   8          2HA       GLY   8  -1.895   2.897   5.798
   54   2HA   GLY   8          1HA       GLY   8  -1.662   3.915   7.217
   55    H    CYS   9           H        CYS   9  -1.470   3.767   3.785
   56    HA   CYS   9           HA       CYS   9  -0.258   6.510   3.691
   57   1HB   CYS   9          2HB       CYS   9   0.838   5.836   1.766
   58   2HB   CYS   9          1HB       CYS   9   0.692   4.272   2.561
   59    H    ASN  10           H        ASN  10  -1.083   7.253   1.144
   60    HA   ASN  10           HA       ASN  10  -3.964   7.758   1.584
   61   1HB   ASN  10          2HB       ASN  10  -1.859   8.757  -0.356
   62   2HB   ASN  10          1HB       ASN  10  -3.542   9.282  -0.419
   63   1HD2  ASN  10          1HD2      ASN  10  -0.512   9.698   1.263
   64   2HD2  ASN  10          2HD2      ASN  10  -1.070  10.826   2.402
   65    HA   PRO  11           HA       PRO  11  -5.126   4.527  -1.232
   66   1HB   PRO  11          2HB       PRO  11  -7.729   5.299  -1.616
   67   2HB   PRO  11          1HB       PRO  11  -7.165   4.481  -0.145
   68   1HG   PRO  11          2HG       PRO  11  -7.677   7.378  -0.621
   69   2HG   PRO  11          1HG       PRO  11  -8.038   6.387   0.801
   70   1HD   PRO  11          2HD       PRO  11  -5.911   8.066   0.679
   71   2HD   PRO  11          1HD       PRO  11  -5.908   6.568   1.638
   72    H    SER  12           H        SER  12  -5.971   7.924  -1.974
   73    HA   SER  12           HA       SER  12  -6.281   7.494  -4.833
   74   1HB   SER  12          2HB       SER  12  -7.258   9.338  -3.363
   75   2HB   SER  12          1HB       SER  12  -5.649  10.054  -3.338
   76    HG   SER  12           HG       SER  12  -5.931  10.709  -5.321
   77    H    ASN  13           H        ASN  13  -3.627   8.512  -2.711
   78    HA   ASN  13           HA       ASN  13  -1.775   8.433  -5.071
   79   1HB   ASN  13          2HB       ASN  13  -2.329  10.653  -3.821
   80   2HB   ASN  13          1HB       ASN  13  -1.327   9.999  -2.526
   81   1HD2  ASN  13          1HD2      ASN  13   0.986   9.632  -3.001
   82   2HD2  ASN  13          2HD2      ASN  13   1.726  10.390  -4.327
   83    H    ASP  14           H        ASP  14  -1.785   6.032  -4.381
   84    HA   ASP  14           HA       ASP  14  -0.492   5.304  -1.867
   85   1HB   ASP  14          2HB       ASP  14  -2.044   3.771  -2.841
   86   2HB   ASP  14          1HB       ASP  14  -1.271   3.879  -4.422
   87    H    GLN  15           H        GLN  15   1.676   5.449  -1.516
   88    HA   GLN  15           HA       GLN  15   3.526   5.301  -3.877
   89   1HB   GLN  15          2HB       GLN  15   3.123   7.473  -2.421
   90   2HB   GLN  15          1HB       GLN  15   4.196   6.663  -1.280
   91   1HG   GLN  15          2HG       GLN  15   6.019   6.764  -2.707
   92   2HG   GLN  15          1HG       GLN  15   5.016   6.782  -4.157
   93   1HE2  GLN  15          1HE2      GLN  15   6.147   8.834  -1.450
   94   2HE2  GLN  15          2HE2      GLN  15   5.834  10.309  -2.231
   95    H    CYS  16           H        CYS  16   2.638   2.956  -2.464
   96    HA   CYS  16           HA       CYS  16   4.487   2.160  -0.388
   97   1HB   CYS  16          2HB       CYS  16   2.395   0.948  -2.128
   98   2HB   CYS  16          1HB       CYS  16   3.567  -0.166  -1.424
   99    H    CYS  17           H        CYS  17   6.157   0.465  -0.639
  100    HA   CYS  17           HA       CYS  17   8.015   1.011  -2.765
  101   1HB   CYS  17          2HB       CYS  17   7.735  -0.817  -0.437
  102   2HB   CYS  17          1HB       CYS  17   8.866  -1.332  -1.689
  103    H    LYS  18           H        LYS  18   8.132   0.139  -4.787
  104    HA   LYS  18           HA       LYS  18   6.152  -1.832  -5.675
  105   1HB   LYS  18          2HB       LYS  18   8.249  -0.057  -6.834
  106   2HB   LYS  18          1HB       LYS  18   7.778  -1.463  -7.790
  107   1HG   LYS  18          2HG       LYS  18   5.335  -0.689  -7.251
  108   2HG   LYS  18          1HG       LYS  18   6.092   0.865  -6.902
  109   1HD   LYS  18          2HD       LYS  18   6.992  -0.401  -9.413
  110   2HD   LYS  18          1HD       LYS  18   5.293   0.071  -9.397
  111   1HE   LYS  18          2HE       LYS  18   5.869   2.365  -8.832
  112   2HE   LYS  18          1HE       LYS  18   7.577   1.926  -8.634
  113   1HZ   LYS  18          1HZ       LYS  18   7.640   1.206 -10.932
  114   2HZ   LYS  18          2HZ       LYS  18   7.136   2.826 -10.853
  115   3HZ   LYS  18          3HZ       LYS  18   6.001   1.594 -11.135
  116    H    SER  19           H        SER  19   9.293  -2.067  -4.300
  117    HA   SER  19           HA       SER  19  10.446  -4.251  -5.721
  118   1HB   SER  19          2HB       SER  19  10.557  -3.312  -2.844
  119   2HB   SER  19          1HB       SER  19  11.576  -4.615  -3.452
  120    HG   SER  19           HG       SER  19  11.697  -1.895  -3.886
  121    H    SER  20           H        SER  20   8.168  -4.223  -2.958
  122    HA   SER  20           HA       SER  20   7.928  -7.190  -3.114
  123   1HB   SER  20          2HB       SER  20   7.089  -5.043  -1.157
  124   2HB   SER  20          1HB       SER  20   6.549  -6.712  -0.997
  125    HG   SER  20           HG       SER  20   8.479  -7.254  -0.351
  126    H    ASN  21           H        ASN  21   6.517  -4.660  -4.703
  127    HA   ASN  21           HA       ASN  21   4.466  -4.351  -5.807
  128   1HB   ASN  21          2HB       ASN  21   5.318  -6.930  -6.098
  129   2HB   ASN  21          1HB       ASN  21   3.722  -7.195  -5.400
  130   1HD2  ASN  21          1HD2      ASN  21   3.838  -8.090  -7.929
  131   2HD2  ASN  21          2HD2      ASN  21   3.132  -7.012  -9.034
  132    H    LEU  22           H        LEU  22   4.033  -3.295  -3.493
  133    HA   LEU  22           HA       LEU  22   1.618  -4.631  -2.305
  134   1HB   LEU  22          2HB       LEU  22   3.701  -2.815  -1.040
  135   2HB   LEU  22          1HB       LEU  22   2.316  -3.511  -0.201
  136    HG   LEU  22           HG       LEU  22   4.424  -5.181  -1.597
  137   1HD1  LEU  22          1HD1      LEU  22   5.307  -5.621   0.674
  138   2HD1  LEU  22          2HD1      LEU  22   4.169  -4.446   1.335
  139   3HD1  LEU  22          3HD1      LEU  22   5.450  -3.917   0.244
  140   1HD2  LEU  22          1HD2      LEU  22   2.151  -5.775   0.317
  141   2HD2  LEU  22          2HD2      LEU  22   3.432  -6.934  -0.040
  142   3HD2  LEU  22          3HD2      LEU  22   2.359  -6.382  -1.326
  143    H    VAL  23           H        VAL  23  -0.210  -3.338  -2.022
  144    HA   VAL  23           HA       VAL  23  -0.020  -0.475  -2.917
  145    HB   VAL  23           HB       VAL  23  -2.319  -2.400  -3.382
  146   1HG1  VAL  23          1HG1      VAL  23  -1.626   0.376  -4.334
  147   2HG1  VAL  23          2HG1      VAL  23  -3.109  -0.180  -3.559
  148   3HG1  VAL  23          3HG1      VAL  23  -2.757  -0.644  -5.223
  149   1HG2  VAL  23          1HG2      VAL  23  -1.474  -2.483  -5.747
  150   2HG2  VAL  23          2HG2      VAL  23  -0.383  -3.254  -4.595
  151   3HG2  VAL  23          3HG2      VAL  23  -0.019  -1.642  -5.212
  152    H    CYS  24           H        CYS  24  -1.839   0.861  -2.002
  153    HA   CYS  24           HA       CYS  24  -2.276   0.188   0.835
  154   1HB   CYS  24          2HB       CYS  24  -2.329   2.536  -0.938
  155   2HB   CYS  24          1HB       CYS  24  -3.596   2.555   0.287
  156    H    SER  25           H        SER  25  -4.128  -0.737   1.591
  157    HA   SER  25           HA       SER  25  -6.284  -1.523  -0.176
  158   1HB   SER  25          2HB       SER  25  -5.361  -2.613   1.977
  159   2HB   SER  25          1HB       SER  25  -6.330  -1.429   2.848
  160    HG   SER  25           HG       SER  25  -7.905  -2.780   2.533
  161    H    ARG  26           H        ARG  26  -8.564  -0.867   0.110
  162    HA   ARG  26           HA       ARG  26  -8.817   2.052   0.562
  163   1HB   ARG  26          2HB       ARG  26  -9.885   0.121  -1.189
  164   2HB   ARG  26          1HB       ARG  26 -11.236   0.618  -0.170
  165   1HG   ARG  26          2HG       ARG  26 -10.182   3.043  -0.671
  166   2HG   ARG  26          1HG       ARG  26  -9.658   2.209  -2.134
  167   1HD   ARG  26          2HD       ARG  26 -12.511   1.885  -1.242
  168   2HD   ARG  26          1HD       ARG  26 -12.032   3.372  -2.083
  169    HE   ARG  26           HE       ARG  26 -11.437   2.053  -4.017
  170   1HH1  ARG  26          1HH2      ARG  26 -14.069   0.752  -3.082
  171   2HH1  ARG  26          2HH2      ARG  26 -13.665  -0.926  -3.227
  172   1HH2  ARG  26          2HH1      ARG  26 -10.245  -0.356  -3.456
  173   2HH2  ARG  26          1HH1      ARG  26 -11.495  -1.555  -3.439
  174    H    LYS  27           H        LYS  27  -9.368  -0.850   2.332
  175    HA   LYS  27           HA       LYS  27 -11.613   0.202   3.928
  176   1HB   LYS  27          2HB       LYS  27 -10.399  -2.313   3.291
  177   2HB   LYS  27          1HB       LYS  27 -10.391  -2.129   5.044
  178   1HG   LYS  27          2HG       LYS  27 -12.913  -1.216   4.325
  179   2HG   LYS  27          1HG       LYS  27 -12.647  -2.574   3.232
  180   1HD   LYS  27          2HD       LYS  27 -13.551  -3.633   5.113
  181   2HD   LYS  27          1HD       LYS  27 -11.818  -3.812   5.385
  182   1HE   LYS  27          2HE       LYS  27 -12.036  -1.525   6.659
  183   2HE   LYS  27          1HE       LYS  27 -13.756  -1.950   6.747
  184   1HZ   LYS  27          1HZ       LYS  27 -12.538  -2.876   8.627
  185   2HZ   LYS  27          2HZ       LYS  27 -11.496  -3.701   7.569
  186   3HZ   LYS  27          3HZ       LYS  27 -13.143  -4.114   7.638
  187    H    HIS  28           H        HIS  28  -8.226  -0.763   4.561
  188    HA   HIS  28           HA       HIS  28  -8.299   0.822   7.102
  189   1HB   HIS  28          2HB       HIS  28  -6.807  -1.564   6.057
  190   2HB   HIS  28          1HB       HIS  28  -6.074  -0.598   7.337
  191    HD1  HIS  28           HD1      HIS  28  -6.619  -1.518   9.579
  192    HD2  HIS  28           HD2      HIS  28  -9.779  -2.051   6.912
  193    HE1  HIS  28           HE1      HIS  28  -8.465  -2.671  10.875
  194    H    ALA  29           H        ALA  29  -7.175   1.062   3.898
  195    HA   ALA  29           HA       ALA  29  -5.747   2.608   2.847
  196   1HB   ALA  29          1HB       ALA  29  -6.912   3.924   4.854
  197   2HB   ALA  29          2HB       ALA  29  -5.633   4.669   3.895
  198   3HB   ALA  29          3HB       ALA  29  -5.259   3.964   5.468
  199    H    TRP  30           H        TRP  30  -4.699   0.281   4.860
  200    HA   TRP  30           HA       TRP  30  -1.908   1.223   5.173
  201   1HB   TRP  30          2HB       TRP  30  -1.683  -0.628   6.638
  202   2HB   TRP  30          1HB       TRP  30  -3.331  -0.077   6.897
  203    HD1  TRP  30           HD1      TRP  30  -4.557  -1.441   4.225
  204    HE1  TRP  30           HE1      TRP  30  -4.917  -3.992   4.210
  205    HE3  TRP  30           HE3      TRP  30  -1.362  -2.800   7.966
  206    HZ2  TRP  30           HZ2      TRP  30  -3.976  -6.305   5.606
  207    HZ3  TRP  30           HZ3      TRP  30  -1.115  -5.180   8.604
  208    HH2  TRP  30           HH2      TRP  30  -2.417  -6.934   7.431
  209    H    CYS  31           H        CYS  31  -0.122  -0.205   4.368
  210    HA   CYS  31           HA       CYS  31  -0.532  -0.895   1.567
  211   1HB   CYS  31          2HB       CYS  31   1.528   0.068   2.912
  212   2HB   CYS  31          1HB       CYS  31   1.900  -1.637   3.167
  213    H    LYS  32           H        LYS  32  -1.426  -2.804   0.950
  214    HA   LYS  32           HA       LYS  32  -0.910  -5.255   2.608
  215   1HB   LYS  32          2HB       LYS  32  -3.285  -4.022   2.058
  216   2HB   LYS  32          1HB       LYS  32  -3.188  -5.148   0.705
  217   1HG   LYS  32          2HG       LYS  32  -2.646  -6.956   2.440
  218   2HG   LYS  32          1HG       LYS  32  -3.151  -5.787   3.659
  219   1HD   LYS  32          2HD       LYS  32  -5.238  -6.603   3.315
  220   2HD   LYS  32          1HD       LYS  32  -5.212  -5.644   1.836
  221   1HE   LYS  32          2HE       LYS  32  -4.256  -7.612   0.615
  222   2HE   LYS  32          1HE       LYS  32  -4.433  -8.571   2.097
  223   1HZ   LYS  32          1HZ       LYS  32  -6.766  -8.144   2.130
  224   2HZ   LYS  32          2HZ       LYS  32  -6.380  -8.710   0.575
  225   3HZ   LYS  32          3HZ       LYS  32  -6.655  -7.054   0.834
  226    H    TYR  33           H        TYR  33  -1.268  -7.296   1.066
  227    HA   TYR  33           HA       TYR  33   0.780  -7.232  -0.968
  228   1HB   TYR  33          2HB       TYR  33  -0.471  -9.119   0.553
  229   2HB   TYR  33          1HB       TYR  33  -1.265  -9.381  -1.000
  230    HD1  TYR  33           HD1      TYR  33   1.934  -9.478   0.821
  231    HD2  TYR  33           HD2      TYR  33   0.004 -10.105  -2.967
  232    HE1  TYR  33           HE1      TYR  33   3.941 -10.678  -0.003
  233    HE2  TYR  33           HE2      TYR  33   2.012 -11.306  -3.790
  234    HH   TYR  33           HH       TYR  33   4.131 -12.665  -2.178
  235    H    GLU  34           H        GLU  34   0.497  -7.488  -3.276
  236    HA   GLU  34           HA       GLU  34  -1.553  -5.878  -4.476
  237   1HB   GLU  34          2HB       GLU  34   0.752  -7.522  -5.244
  238   2HB   GLU  34          1HB       GLU  34  -0.528  -7.546  -6.457
  239   1HG   GLU  34          2HG       GLU  34  -0.011  -4.872  -5.352
  240   2HG   GLU  34          1HG       GLU  34   1.368  -5.561  -6.207
  241    H    ILE  35           H        ILE  35  -3.684  -6.445  -4.683
  242    HA   ILE  35           HA       ILE  35  -4.453  -9.318  -4.674
  243    HB   ILE  35           HB       ILE  35  -6.046  -6.732  -4.539
  244   1HG1  ILE  35          2HG1      ILE  35  -6.218  -8.282  -2.160
  245   2HG1  ILE  35          1HG1      ILE  35  -4.509  -8.194  -2.586
  246   1HG2  ILE  35          1HG2      ILE  35  -7.843  -8.329  -3.670
  247   2HG2  ILE  35          2HG2      ILE  35  -6.846  -9.642  -4.298
  248   3HG2  ILE  35          3HG2      ILE  35  -7.500  -8.428  -5.398
  249   1HD1  ILE  35          1HD1      ILE  35  -4.514  -5.817  -2.561
  250   2HD1  ILE  35          2HD1      ILE  35  -5.434  -6.286  -1.132
  251   3HD1  ILE  35          3HD1      ILE  35  -6.276  -5.743  -2.583
  252   1HN   NH2  36          1HN       NH2  36  -5.643  -9.684  -7.941
  253   2HN   NH2  36          2HN       NH2  36  -5.852 -10.207  -6.256
  Start of MODEL   12
    1   1H    GLU   1          1H        GLU   1  11.593   7.602   2.796
    2   2H    GLU   1          2H        GLU   1  12.111   7.201   1.228
    3   3H    GLU   1          3H        GLU   1  13.226   7.244   2.508
    4    HA   GLU   1           HA       GLU   1  12.688   4.950   1.992
    5   1HB   GLU   1          2HB       GLU   1  13.137   5.812   4.313
    6   2HB   GLU   1          1HB       GLU   1  11.395   5.946   4.552
    7   1HG   GLU   1          2HG       GLU   1  11.296   3.767   5.101
    8   2HG   GLU   1          1HG       GLU   1  11.947   3.333   3.520
    9    H    CYS   2           H        CYS   2  11.132   3.468   1.346
   10    HA   CYS   2           HA       CYS   2   8.505   4.409   0.544
   11   1HB   CYS   2          2HB       CYS   2   8.238   1.997  -0.081
   12   2HB   CYS   2          1HB       CYS   2   9.745   2.688  -0.677
   13    H    LEU   3           H        LEU   3   6.512   3.004   1.229
   14    HA   LEU   3           HA       LEU   3   6.420   2.979   4.212
   15   1HB   LEU   3          2HB       LEU   3   4.338   3.065   2.007
   16   2HB   LEU   3          1HB       LEU   3   3.927   2.969   3.719
   17    HG   LEU   3           HG       LEU   3   5.692   5.139   2.553
   18   1HD1  LEU   3          1HD1      LEU   3   3.658   6.587   2.808
   19   2HD1  LEU   3          2HD1      LEU   3   2.713   5.133   3.130
   20   3HD1  LEU   3          3HD1      LEU   3   3.482   5.354   1.559
   21   1HD2  LEU   3          1HD2      LEU   3   4.376   4.631   5.228
   22   2HD2  LEU   3          2HD2      LEU   3   4.877   6.251   4.744
   23   3HD2  LEU   3          3HD2      LEU   3   6.074   4.964   4.890
   24    H    GLY   4           H        GLY   4   6.337   1.048   5.279
   25   1HA   GLY   4          2HA       GLY   4   6.419  -1.464   3.841
   26   2HA   GLY   4          1HA       GLY   4   6.351  -1.282   5.593
   27    H    PHE   5           H        PHE   5   4.830  -3.158   5.403
   28    HA   PHE   5           HA       PHE   5   2.224  -2.786   4.156
   29   1HB   PHE   5          2HB       PHE   5   3.173  -4.990   4.386
   30   2HB   PHE   5          1HB       PHE   5   3.416  -4.769   6.117
   31    HD1  PHE   5           HD1      PHE   5   0.494  -4.171   3.820
   32    HD2  PHE   5           HD2      PHE   5   1.987  -6.146   7.332
   33    HE1  PHE   5           HE1      PHE   5  -1.765  -5.089   4.266
   34    HE2  PHE   5           HE2      PHE   5  -0.273  -7.063   7.775
   35    HZ   PHE   5           HZ       PHE   5  -2.149  -6.535   6.243
   36    H    GLY   6           H        GLY   6   0.412  -1.896   5.061
   37   1HA   GLY   6          2HA       GLY   6  -1.093  -1.172   6.726
   38   2HA   GLY   6          1HA       GLY   6   0.024  -1.756   7.956
   39    H    LYS   7           H        LYS   7   0.705   0.556   5.335
   40    HA   LYS   7           HA       LYS   7   1.263   2.636   7.428
   41   1HB   LYS   7          2HB       LYS   7   2.777   1.562   5.102
   42   2HB   LYS   7          1HB       LYS   7   2.873   3.305   5.348
   43   1HG   LYS   7          2HG       LYS   7   3.246   1.481   7.702
   44   2HG   LYS   7          1HG       LYS   7   4.581   1.705   6.571
   45   1HD   LYS   7          2HD       LYS   7   4.999   3.799   7.316
   46   2HD   LYS   7          1HD       LYS   7   3.290   4.231   7.299
   47   1HE   LYS   7          2HE       LYS   7   4.034   2.313   9.428
   48   2HE   LYS   7          1HE       LYS   7   4.748   3.929   9.597
   49   1HZ   LYS   7          1HZ       LYS   7   1.873   3.316   9.143
   50   2HZ   LYS   7          2HZ       LYS   7   2.536   4.879   9.184
   51   3HZ   LYS   7          3HZ       LYS   7   2.553   3.909  10.578
   52    H    GLY   8           H        GLY   8  -0.032   4.417   7.198
   53   1HA   GLY   8          2HA       GLY   8  -2.017   4.767   5.253
   54   2HA   GLY   8          1HA       GLY   8  -1.339   6.093   6.195
   55    H    CYS   9           H        CYS   9  -1.979   5.325   3.147
   56    HA   CYS   9           HA       CYS   9   0.182   7.037   2.055
   57   1HB   CYS   9          2HB       CYS   9   1.316   5.135   1.492
   58   2HB   CYS   9          1HB       CYS   9  -0.085   4.113   1.790
   59    H    ASN  10           H        ASN  10  -0.375   7.739  -0.194
   60    HA   ASN  10           HA       ASN  10  -3.314   7.963  -0.538
   61   1HB   ASN  10          2HB       ASN  10  -2.660   9.715  -2.185
   62   2HB   ASN  10          1HB       ASN  10  -1.924   9.985  -0.609
   63   1HD2  ASN  10          1HD2      ASN  10   0.396   9.842  -0.453
   64   2HD2  ASN  10          2HD2      ASN  10   1.391   9.600  -1.807
   65    HA   PRO  11           HA       PRO  11  -3.311   4.781  -3.613
   66   1HB   PRO  11          2HB       PRO  11  -5.755   5.331  -4.725
   67   2HB   PRO  11          1HB       PRO  11  -5.556   4.519  -3.159
   68   1HG   PRO  11          2HG       PRO  11  -6.178   7.375  -3.744
   69   2HG   PRO  11          1HG       PRO  11  -6.842   6.310  -2.495
   70   1HD   PRO  11          2HD       PRO  11  -4.938   8.167  -1.977
   71   2HD   PRO  11          1HD       PRO  11  -5.064   6.639  -1.078
   72    H    SER  12           H        SER  12  -3.973   8.165  -4.493
   73    HA   SER  12           HA       SER  12  -3.863   7.974  -7.323
   74   1HB   SER  12          2HB       SER  12  -4.485   9.949  -5.886
   75   2HB   SER  12          1HB       SER  12  -2.773  10.177  -5.545
   76    HG   SER  12           HG       SER  12  -4.217  10.557  -7.912
   77    H    ASN  13           H        ASN  13  -1.236   8.243  -4.944
   78    HA   ASN  13           HA       ASN  13   0.714   7.525  -7.105
   79   1HB   ASN  13          2HB       ASN  13   0.461   9.969  -5.764
   80   2HB   ASN  13          1HB       ASN  13   1.786   9.162  -4.927
   81   1HD2  ASN  13          1HD2      ASN  13   3.810   9.193  -5.962
   82   2HD2  ASN  13          2HD2      ASN  13   4.053   9.664  -7.574
   83    H    ASP  14           H        ASP  14   0.244   5.310  -6.161
   84    HA   ASP  14           HA       ASP  14   0.876   4.629  -3.442
   85   1HB   ASP  14          2HB       ASP  14  -0.466   3.151  -4.745
   86   2HB   ASP  14          1HB       ASP  14   0.707   3.123  -6.061
   87    H    GLN  15           H        GLN  15   2.867   4.786  -2.527
   88    HA   GLN  15           HA       GLN  15   5.269   4.073  -4.176
   89   1HB   GLN  15          2HB       GLN  15   4.688   6.581  -3.547
   90   2HB   GLN  15          1HB       GLN  15   5.352   6.122  -1.978
   91   1HG   GLN  15          2HG       GLN  15   7.473   5.608  -2.897
   92   2HG   GLN  15          1HG       GLN  15   6.838   5.544  -4.541
   93   1HE2  GLN  15          1HE2      GLN  15   6.927   7.471  -5.755
   94   2HE2  GLN  15          2HE2      GLN  15   7.326   8.988  -5.107
   95    H    CYS  16           H        CYS  16   3.980   2.150  -2.646
   96    HA   CYS  16           HA       CYS  16   5.046   1.995   0.072
   97   1HB   CYS  16          2HB       CYS  16   3.343   0.424  -1.789
   98   2HB   CYS  16          1HB       CYS  16   4.176  -0.506  -0.545
   99    H    CYS  17           H        CYS  17   6.232  -0.215   0.607
  100    HA   CYS  17           HA       CYS  17   8.774  -0.206  -0.833
  101   1HB   CYS  17          2HB       CYS  17   7.628  -1.976   1.354
  102   2HB   CYS  17          1HB       CYS  17   9.320  -1.950   0.863
  103    H    LYS  18           H        LYS  18   9.553  -1.813  -2.235
  104    HA   LYS  18           HA       LYS  18   7.523  -3.603  -3.442
  105   1HB   LYS  18          2HB       LYS  18   9.231  -2.051  -4.626
  106   2HB   LYS  18          1HB       LYS  18  10.427  -3.281  -4.218
  107   1HG   LYS  18          2HG       LYS  18   9.755  -4.047  -6.299
  108   2HG   LYS  18          1HG       LYS  18   8.617  -4.915  -5.269
  109   1HD   LYS  18          2HD       LYS  18   6.830  -3.578  -5.876
  110   2HD   LYS  18          1HD       LYS  18   7.851  -2.179  -6.204
  111   1HE   LYS  18          2HE       LYS  18   7.190  -2.889  -8.368
  112   2HE   LYS  18          1HE       LYS  18   8.789  -3.635  -8.176
  113   1HZ   LYS  18          1HZ       LYS  18   7.751  -5.645  -7.377
  114   2HZ   LYS  18          2HZ       LYS  18   7.093  -5.248  -8.892
  115   3HZ   LYS  18          3HZ       LYS  18   6.211  -4.941  -7.473
  116    H    SER  19           H        SER  19   8.819  -4.125  -0.687
  117    HA   SER  19           HA       SER  19  10.587  -6.406  -0.996
  118   1HB   SER  19          2HB       SER  19  10.319  -4.797   0.976
  119   2HB   SER  19          1HB       SER  19   8.840  -5.668   1.368
  120    HG   SER  19           HG       SER  19  10.715  -6.475   2.461
  121    H    SER  20           H        SER  20   7.125  -6.091  -0.086
  122    HA   SER  20           HA       SER  20   6.762  -8.982  -0.813
  123   1HB   SER  20          2HB       SER  20   6.380  -7.802   1.590
  124   2HB   SER  20          1HB       SER  20   4.794  -7.518   0.880
  125    HG   SER  20           HG       SER  20   4.417  -9.518   1.384
  126    H    ASN  21           H        ASN  21   6.585  -6.483  -2.571
  127    HA   ASN  21           HA       ASN  21   5.156  -5.578  -4.216
  128   1HB   ASN  21          2HB       ASN  21   4.276  -8.446  -3.833
  129   2HB   ASN  21          1HB       ASN  21   3.558  -7.427  -5.081
  130   1HD2  ASN  21          1HD2      ASN  21   6.612  -8.935  -4.030
  131   2HD2  ASN  21          2HD2      ASN  21   7.411  -8.740  -5.515
  132    H    LEU  22           H        LEU  22   4.345  -4.297  -2.128
  133    HA   LEU  22           HA       LEU  22   1.495  -4.934  -1.507
  134   1HB   LEU  22          2HB       LEU  22   3.622  -3.141  -0.313
  135   2HB   LEU  22          1HB       LEU  22   1.944  -3.106   0.231
  136    HG   LEU  22           HG       LEU  22   2.862  -5.841   0.080
  137   1HD1  LEU  22          1HD1      LEU  22   4.529  -5.657   1.960
  138   2HD1  LEU  22          2HD1      LEU  22   4.548  -3.912   1.702
  139   3HD1  LEU  22          3HD1      LEU  22   5.104  -4.999   0.429
  140   1HD2  LEU  22          1HD2      LEU  22   2.091  -4.067   2.422
  141   2HD2  LEU  22          2HD2      LEU  22   2.130  -5.831   2.432
  142   3HD2  LEU  22          3HD2      LEU  22   0.961  -4.981   1.421
  143    H    VAL  23           H        VAL  23  -0.089  -3.159  -1.594
  144    HA   VAL  23           HA       VAL  23   0.645  -0.927  -3.460
  145    HB   VAL  23           HB       VAL  23  -1.586  -1.340  -4.552
  146   1HG1  VAL  23          1HG1      VAL  23   0.628  -2.288  -5.376
  147   2HG1  VAL  23          2HG1      VAL  23  -0.813  -3.151  -5.915
  148   3HG1  VAL  23          3HG1      VAL  23   0.169  -3.806  -4.604
  149   1HG2  VAL  23          1HG2      VAL  23  -2.983  -3.057  -3.919
  150   2HG2  VAL  23          2HG2      VAL  23  -2.220  -2.773  -2.356
  151   3HG2  VAL  23          3HG2      VAL  23  -1.652  -4.085  -3.387
  152    H    CYS  24           H        CYS  24  -1.054   0.851  -3.382
  153    HA   CYS  24           HA       CYS  24  -1.826   1.351  -0.568
  154   1HB   CYS  24          2HB       CYS  24  -0.683   2.901  -2.409
  155   2HB   CYS  24          1HB       CYS  24  -2.361   3.229  -2.841
  156    H    SER  25           H        SER  25  -3.932   1.271   0.153
  157    HA   SER  25           HA       SER  25  -6.043   0.482  -1.801
  158   1HB   SER  25          2HB       SER  25  -5.290  -0.549   0.586
  159   2HB   SER  25          1HB       SER  25  -6.518   0.584   1.137
  160    HG   SER  25           HG       SER  25  -6.834  -1.792  -0.029
  161    H    ARG  26           H        ARG  26  -7.955   1.704  -2.023
  162    HA   ARG  26           HA       ARG  26  -7.786   4.535  -1.230
  163   1HB   ARG  26          2HB       ARG  26  -9.675   4.775  -2.729
  164   2HB   ARG  26          1HB       ARG  26  -8.529   3.670  -3.482
  165   1HG   ARG  26          2HG       ARG  26  -9.858   1.745  -2.645
  166   2HG   ARG  26          1HG       ARG  26 -11.020   2.871  -1.944
  167   1HD   ARG  26          2HD       ARG  26 -11.496   3.796  -4.187
  168   2HD   ARG  26          1HD       ARG  26 -10.332   2.660  -4.897
  169    HE   ARG  26           HE       ARG  26 -12.796   1.794  -3.426
  170   1HH1  ARG  26          2HH1      ARG  26 -12.720   1.751  -6.447
  171   2HH1  ARG  26          1HH1      ARG  26 -12.283   0.105  -6.765
  172   1HH2  ARG  26          1HH2      ARG  26 -11.180  -0.505  -3.526
  173   2HH2  ARG  26          2HH2      ARG  26 -11.409  -1.175  -5.107
  174    H    LYS  27           H        LYS  27  -9.615   1.655  -0.284
  175    HA   LYS  27           HA       LYS  27 -11.550   3.119   1.358
  176   1HB   LYS  27          2HB       LYS  27 -11.894   0.902   0.181
  177   2HB   LYS  27          1HB       LYS  27 -10.795   0.181   1.356
  178   1HG   LYS  27          2HG       LYS  27 -12.289   0.416   3.110
  179   2HG   LYS  27          1HG       LYS  27 -13.088   1.810   2.382
  180   1HD   LYS  27          2HD       LYS  27 -14.423   0.500   1.004
  181   2HD   LYS  27          1HD       LYS  27 -13.278  -0.842   0.998
  182   1HE   LYS  27          2HE       LYS  27 -13.864  -1.422   3.296
  183   2HE   LYS  27          1HE       LYS  27 -14.923  -0.004   3.414
  184   1HZ   LYS  27          1HZ       LYS  27 -16.229  -0.851   1.572
  185   2HZ   LYS  27          2HZ       LYS  27 -16.174  -2.005   2.818
  186   3HZ   LYS  27          3HZ       LYS  27 -15.213  -2.203   1.431
  187    H    HIS  28           H        HIS  28  -8.548   1.303   1.897
  188    HA   HIS  28           HA       HIS  28  -8.677   1.735   4.825
  189   1HB   HIS  28          2HB       HIS  28  -6.639   0.412   2.999
  190   2HB   HIS  28          1HB       HIS  28  -6.618   0.344   4.760
  191    HD1  HIS  28           HD1      HIS  28  -8.301  -1.099   1.768
  192    HD2  HIS  28           HD2      HIS  28  -8.764  -1.219   5.909
  193    HE1  HIS  28           HE1      HIS  28  -9.891  -3.008   2.257
  194    H    ALA  29           H        ALA  29  -7.249   3.211   2.008
  195    HA   ALA  29           HA       ALA  29  -5.847   5.081   1.751
  196   1HB   ALA  29          1HB       ALA  29  -6.259   6.777   3.313
  197   2HB   ALA  29          2HB       ALA  29  -6.297   5.652   4.670
  198   3HB   ALA  29          3HB       ALA  29  -7.655   5.725   3.548
  199    H    TRP  30           H        TRP  30  -4.647   2.498   2.644
  200    HA   TRP  30           HA       TRP  30  -2.069   3.598   3.592
  201   1HB   TRP  30          2HB       TRP  30  -1.987   2.295   5.565
  202   2HB   TRP  30          1HB       TRP  30  -3.615   2.956   5.546
  203    HD1  TRP  30           HD1      TRP  30  -4.332   0.644   3.136
  204    HE1  TRP  30           HE1      TRP  30  -4.989  -1.684   4.022
  205    HE3  TRP  30           HE3      TRP  30  -2.457   0.959   7.861
  206    HZ2  TRP  30           HZ2      TRP  30  -4.750  -3.212   6.430
  207    HZ3  TRP  30           HZ3      TRP  30  -2.683  -0.942   9.436
  208    HH2  TRP  30           HH2      TRP  30  -3.826  -3.026   8.727
  209    H    CYS  31           H        CYS  31  -0.624   1.331   3.955
  210    HA   CYS  31           HA       CYS  31  -0.467   0.233   1.242
  211   1HB   CYS  31          2HB       CYS  31   1.369   0.885   3.052
  212   2HB   CYS  31          1HB       CYS  31   1.128  -0.783   3.569
  213    H    LYS  32           H        LYS  32  -2.274  -1.113   0.926
  214    HA   LYS  32           HA       LYS  32  -2.889  -3.241   2.900
  215   1HB   LYS  32          2HB       LYS  32  -4.660  -1.873   1.831
  216   2HB   LYS  32          1HB       LYS  32  -4.134  -2.435   0.246
  217   1HG   LYS  32          2HG       LYS  32  -5.885  -3.907   0.690
  218   2HG   LYS  32          1HG       LYS  32  -4.506  -4.826   1.290
  219   1HD   LYS  32          2HD       LYS  32  -4.981  -3.705   3.566
  220   2HD   LYS  32          1HD       LYS  32  -6.542  -3.261   2.876
  221   1HE   LYS  32          2HE       LYS  32  -6.504  -5.883   2.201
  222   2HE   LYS  32          1HE       LYS  32  -5.533  -5.942   3.685
  223   1HZ   LYS  32          1HZ       LYS  32  -7.818  -6.083   4.310
  224   2HZ   LYS  32          2HZ       LYS  32  -8.231  -4.742   3.354
  225   3HZ   LYS  32          3HZ       LYS  32  -7.273  -4.537   4.743
  226    H    TYR  33           H        TYR  33  -2.531  -5.441   2.479
  227    HA   TYR  33           HA       TYR  33  -0.605  -6.085   0.330
  228   1HB   TYR  33          2HB       TYR  33  -0.335  -6.873   2.670
  229   2HB   TYR  33          1HB       TYR  33  -1.866  -7.740   2.548
  230    HD1  TYR  33           HD1      TYR  33   1.533  -7.482   1.007
  231    HD2  TYR  33           HD2      TYR  33  -1.951  -9.915   1.635
  232    HE1  TYR  33           HE1      TYR  33   2.707  -9.422   0.005
  233    HE2  TYR  33           HE2      TYR  33  -0.777 -11.855   0.633
  234    HH   TYR  33           HH       TYR  33   2.057 -12.372   0.412
  235    H    GLU  34           H        GLU  34  -1.615  -6.332  -1.656
  236    HA   GLU  34           HA       GLU  34  -4.192  -7.845  -1.782
  237   1HB   GLU  34          2HB       GLU  34  -2.995  -5.561  -3.109
  238   2HB   GLU  34          1HB       GLU  34  -3.487  -6.769  -4.294
  239   1HG   GLU  34          2HG       GLU  34  -5.326  -5.907  -2.060
  240   2HG   GLU  34          1HG       GLU  34  -5.258  -5.035  -3.591
  241    H    ILE  35           H        ILE  35  -4.355  -9.199  -3.900
  242    HA   ILE  35           HA       ILE  35  -2.185 -11.168  -3.899
  243    HB   ILE  35           HB       ILE  35  -4.729 -10.867  -5.537
  244   1HG1  ILE  35          2HG1      ILE  35  -4.751 -13.008  -3.615
  245   2HG1  ILE  35          1HG1      ILE  35  -4.301 -11.513  -2.796
  246   1HG2  ILE  35          1HG2      ILE  35  -4.452 -13.197  -6.127
  247   2HG2  ILE  35          2HG2      ILE  35  -3.034 -13.340  -5.089
  248   3HG2  ILE  35          3HG2      ILE  35  -2.961 -12.354  -6.549
  249   1HD1  ILE  35          1HD1      ILE  35  -6.277 -10.387  -3.634
  250   2HD1  ILE  35          2HD1      ILE  35  -6.783 -11.902  -2.886
  251   3HD1  ILE  35          3HD1      ILE  35  -6.690 -11.774  -4.642
  252   1HN   NH2  36          1HN       NH2  36  -0.496 -10.633  -6.936
  253   2HN   NH2  36          2HN       NH2  36  -1.122 -11.903  -5.863
  Start of MODEL   13
    1   1H    GLU   1          1H        GLU   1  11.611   6.552  -3.213
    2   2H    GLU   1          2H        GLU   1  12.415   7.863  -2.493
    3   3H    GLU   1          3H        GLU   1  10.723   7.881  -2.646
    4    HA   GLU   1           HA       GLU   1  12.311   6.043  -0.917
    5   1HB   GLU   1          2HB       GLU   1  10.729   8.576  -0.577
    6   2HB   GLU   1          1HB       GLU   1  10.773   7.417   0.752
    7   1HG   GLU   1          2HG       GLU   1  13.318   8.305  -0.603
    8   2HG   GLU   1          1HG       GLU   1  12.593   9.271   0.684
    9    H    CYS   2           H        CYS   2  11.218   4.192  -0.364
   10    HA   CYS   2           HA       CYS   2   8.470   3.792  -1.390
   11   1HB   CYS   2          2HB       CYS   2   8.961   1.502  -1.115
   12   2HB   CYS   2          1HB       CYS   2  10.527   2.201  -1.513
   13    H    LEU   3           H        LEU   3   6.852   2.738   0.092
   14    HA   LEU   3           HA       LEU   3   6.878   4.088   2.757
   15   1HB   LEU   3          2HB       LEU   3   4.708   2.855   1.029
   16   2HB   LEU   3          1HB       LEU   3   4.415   3.612   2.594
   17    HG   LEU   3           HG       LEU   3   5.988   5.230   0.669
   18   1HD1  LEU   3          1HD1      LEU   3   4.539   4.870  -1.039
   19   2HD1  LEU   3          2HD1      LEU   3   3.425   5.866  -0.101
   20   3HD1  LEU   3          3HD1      LEU   3   3.345   4.107   0.013
   21   1HD2  LEU   3          1HD2      LEU   3   5.149   5.917   2.984
   22   2HD2  LEU   3          2HD2      LEU   3   3.525   5.922   2.295
   23   3HD2  LEU   3          3HD2      LEU   3   4.751   7.025   1.671
   24    H    GLY   4           H        GLY   4   6.361   2.875   4.665
   25   1HA   GLY   4          2HA       GLY   4   7.168   0.048   4.556
   26   2HA   GLY   4          1HA       GLY   4   6.849   0.979   6.018
   27    H    PHE   5           H        PHE   5   5.437  -0.557   6.944
   28    HA   PHE   5           HA       PHE   5   3.062  -1.447   5.417
   29   1HB   PHE   5          2HB       PHE   5   4.453  -2.910   6.935
   30   2HB   PHE   5          1HB       PHE   5   3.876  -1.949   8.297
   31    HD1  PHE   5           HD1      PHE   5   2.073  -2.834   9.468
   32    HD2  PHE   5           HD2      PHE   5   2.409  -3.609   5.255
   33    HE1  PHE   5           HE1      PHE   5   0.002  -4.195   9.552
   34    HE2  PHE   5           HE2      PHE   5   0.340  -4.968   5.339
   35    HZ   PHE   5           HZ       PHE   5  -0.867  -5.262   7.487
   36    H    GLY   6           H        GLY   6   1.086  -0.473   5.599
   37   1HA   GLY   6          2HA       GLY   6  -0.671   0.815   6.481
   38   2HA   GLY   6          1HA       GLY   6   0.206   0.882   8.010
   39    H    LYS   7           H        LYS   7   1.096   2.006   4.732
   40    HA   LYS   7           HA       LYS   7   1.478   4.753   5.886
   41   1HB   LYS   7          2HB       LYS   7   3.151   2.935   4.238
   42   2HB   LYS   7          1HB       LYS   7   3.160   4.628   3.741
   43   1HG   LYS   7          2HG       LYS   7   3.507   3.918   6.642
   44   2HG   LYS   7          1HG       LYS   7   4.881   3.817   5.543
   45   1HD   LYS   7          2HD       LYS   7   5.126   6.056   5.522
   46   2HD   LYS   7          1HD       LYS   7   3.421   6.292   5.134
   47   1HE   LYS   7          2HE       LYS   7   3.443   7.276   7.233
   48   2HE   LYS   7          1HE       LYS   7   3.172   5.597   7.738
   49   1HZ   LYS   7          1HZ       LYS   7   5.574   5.292   7.875
   50   2HZ   LYS   7          2HZ       LYS   7   5.069   6.546   8.903
   51   3HZ   LYS   7          3HZ       LYS   7   5.825   6.909   7.426
   52    H    GLY   8           H        GLY   8   0.169   6.256   4.938
   53   1HA   GLY   8          2HA       GLY   8  -1.746   5.748   2.959
   54   2HA   GLY   8          1HA       GLY   8  -1.144   7.359   3.335
   55    H    CYS   9           H        CYS   9  -1.630   5.433   0.802
   56    HA   CYS   9           HA       CYS   9   0.555   6.685  -0.786
   57   1HB   CYS   9          2HB       CYS   9   0.911   4.377  -1.840
   58   2HB   CYS   9          1HB       CYS   9   1.495   4.560  -0.188
   59    H    ASN  10           H        ASN  10   0.115   6.078  -3.234
   60    HA   ASN  10           HA       ASN  10  -2.765   6.602  -3.736
   61   1HB   ASN  10          2HB       ASN  10  -1.164   8.108  -4.729
   62   2HB   ASN  10          1HB       ASN  10  -0.211   6.767  -5.359
   63   1HD2  ASN  10          1HD2      ASN  10  -0.436   7.234  -7.597
   64   2HD2  ASN  10          2HD2      ASN  10  -1.925   7.206  -8.407
   65    HA   PRO  11           HA       PRO  11  -3.188   2.273  -4.784
   66   1HB   PRO  11          2HB       PRO  11  -5.793   2.425  -5.624
   67   2HB   PRO  11          1HB       PRO  11  -5.319   2.390  -3.914
   68   1HG   PRO  11          2HG       PRO  11  -6.074   4.712  -5.621
   69   2HG   PRO  11          1HG       PRO  11  -6.497   4.367  -3.937
   70   1HD   PRO  11          2HD       PRO  11  -4.561   6.131  -4.635
   71   2HD   PRO  11          1HD       PRO  11  -4.508   5.187  -3.128
   72    H    SER  12           H        SER  12  -4.300   4.858  -7.013
   73    HA   SER  12           HA       SER  12  -4.473   3.359  -9.413
   74   1HB   SER  12          2HB       SER  12  -3.675   6.210  -8.779
   75   2HB   SER  12          1HB       SER  12  -3.880   5.641 -10.434
   76    HG   SER  12           HG       SER  12  -5.752   6.140  -8.458
   77    H    ASN  13           H        ASN  13  -1.659   4.757  -7.785
   78    HA   ASN  13           HA       ASN  13   0.128   3.155  -9.567
   79   1HB   ASN  13          2HB       ASN  13  -0.099   5.662 -10.141
   80   2HB   ASN  13          1HB       ASN  13   0.732   5.969  -8.616
   81   1HD2  ASN  13          1HD2      ASN  13   3.005   5.427  -8.473
   82   2HD2  ASN  13          2HD2      ASN  13   3.907   4.958  -9.831
   83    H    ASP  14           H        ASP  14   0.066   1.703  -7.657
   84    HA   ASP  14           HA       ASP  14   0.675   2.309  -5.000
   85   1HB   ASP  14          2HB       ASP  14   1.314  -0.015  -4.836
   86   2HB   ASP  14          1HB       ASP  14   0.037   0.096  -6.045
   87    H    GLN  15           H        GLN  15   2.465   2.981  -3.915
   88    HA   GLN  15           HA       GLN  15   5.120   2.894  -5.304
   89   1HB   GLN  15          2HB       GLN  15   5.466   5.203  -4.322
   90   2HB   GLN  15          1HB       GLN  15   4.210   5.125  -5.555
   91   1HG   GLN  15          2HG       GLN  15   2.469   5.244  -3.957
   92   2HG   GLN  15          1HG       GLN  15   3.545   4.818  -2.627
   93   1HE2  GLN  15          1HE2      GLN  15   5.344   6.505  -2.175
   94   2HE2  GLN  15          2HE2      GLN  15   4.943   8.139  -2.391
   95    H    CYS  16           H        CYS  16   3.906   1.178  -3.181
   96    HA   CYS  16           HA       CYS  16   5.315   1.927  -0.694
   97   1HB   CYS  16          2HB       CYS  16   2.962   0.740  -1.185
   98   2HB   CYS  16          1HB       CYS  16   3.970  -0.707  -1.134
   99    H    CYS  17           H        CYS  17   6.723   0.193   0.347
  100    HA   CYS  17           HA       CYS  17   8.849  -0.619  -1.432
  101   1HB   CYS  17          2HB       CYS  17   8.306  -0.405   1.359
  102   2HB   CYS  17          1HB       CYS  17   8.858  -2.053   1.061
  103    H    LYS  18           H        LYS  18   8.812  -2.375  -2.765
  104    HA   LYS  18           HA       LYS  18   6.756  -4.451  -2.501
  105   1HB   LYS  18          2HB       LYS  18   8.610  -3.398  -4.471
  106   2HB   LYS  18          1HB       LYS  18   8.675  -5.160  -4.442
  107   1HG   LYS  18          2HG       LYS  18   6.910  -4.837  -5.911
  108   2HG   LYS  18          1HG       LYS  18   6.037  -4.939  -4.383
  109   1HD   LYS  18          2HD       LYS  18   7.017  -2.234  -5.102
  110   2HD   LYS  18          1HD       LYS  18   5.752  -2.881  -6.146
  111   1HE   LYS  18          2HE       LYS  18   5.409  -3.111  -3.167
  112   2HE   LYS  18          1HE       LYS  18   5.079  -1.558  -3.959
  113   1HZ   LYS  18          1HZ       LYS  18   3.953  -4.191  -4.766
  114   2HZ   LYS  18          2HZ       LYS  18   3.662  -2.711  -5.551
  115   3HZ   LYS  18          3HZ       LYS  18   3.105  -2.960  -3.966
  116    H    SER  19           H        SER  19   9.679  -4.028  -0.919
  117    HA   SER  19           HA       SER  19  10.926  -6.604  -1.090
  118   1HB   SER  19          2HB       SER  19  11.971  -5.846   1.061
  119   2HB   SER  19          1HB       SER  19  12.026  -4.618  -0.200
  120    HG   SER  19           HG       SER  19  10.617  -4.688   2.182
  121    H    SER  20           H        SER  20   8.303  -5.352   0.966
  122    HA   SER  20           HA       SER  20   8.089  -7.992   2.344
  123   1HB   SER  20          2HB       SER  20   7.021  -5.202   2.807
  124   2HB   SER  20          1HB       SER  20   6.416  -6.582   3.717
  125    HG   SER  20           HG       SER  20   8.123  -5.692   4.845
  126    H    ASN  21           H        ASN  21   7.027  -6.946  -0.525
  127    HA   ASN  21           HA       ASN  21   5.168  -7.419  -1.887
  128   1HB   ASN  21          2HB       ASN  21   5.855  -9.624  -0.460
  129   2HB   ASN  21          1HB       ASN  21   4.188  -9.430   0.075
  130   1HD2  ASN  21          1HD2      ASN  21   2.480  -9.475  -1.624
  131   2HD2  ASN  21          2HD2      ASN  21   2.795 -10.214  -3.120
  132    H    LEU  22           H        LEU  22   4.585  -5.169  -0.639
  133    HA   LEU  22           HA       LEU  22   1.970  -5.535   0.783
  134   1HB   LEU  22          2HB       LEU  22   3.991  -3.272   0.680
  135   2HB   LEU  22          1HB       LEU  22   2.460  -3.188   1.551
  136    HG   LEU  22           HG       LEU  22   4.548  -5.330   2.042
  137   1HD1  LEU  22          1HD1      LEU  22   4.003  -2.761   3.565
  138   2HD1  LEU  22          2HD1      LEU  22   5.460  -3.127   2.639
  139   3HD1  LEU  22          3HD1      LEU  22   5.086  -4.047   4.096
  140   1HD2  LEU  22          1HD2      LEU  22   3.188  -5.457   4.224
  141   2HD2  LEU  22          2HD2      LEU  22   2.406  -6.080   2.771
  142   3HD2  LEU  22          3HD2      LEU  22   1.974  -4.486   3.391
  143    H    VAL  23           H        VAL  23   0.173  -4.214   0.112
  144    HA   VAL  23           HA       VAL  23   0.457  -2.988  -2.618
  145    HB   VAL  23           HB       VAL  23  -1.874  -3.849  -2.999
  146   1HG1  VAL  23          1HG1      VAL  23   0.219  -5.101  -3.677
  147   2HG1  VAL  23          2HG1      VAL  23  -1.203  -6.116  -3.445
  148   3HG1  VAL  23          3HG1      VAL  23   0.046  -6.053  -2.202
  149   1HG2  VAL  23          1HG2      VAL  23  -1.402  -5.445  -0.463
  150   2HG2  VAL  23          2HG2      VAL  23  -2.855  -5.431  -1.461
  151   3HG2  VAL  23          3HG2      VAL  23  -2.414  -4.003  -0.524
  152    H    CYS  24           H        CYS  24  -0.854  -1.116  -3.001
  153    HA   CYS  24           HA       CYS  24  -1.528   0.412  -0.565
  154   1HB   CYS  24          2HB       CYS  24  -0.267   1.240  -2.635
  155   2HB   CYS  24          1HB       CYS  24  -1.816   1.203  -3.476
  156    H    SER  25           H        SER  25  -3.512  -0.121   0.302
  157    HA   SER  25           HA       SER  25  -5.754  -1.172  -1.146
  158   1HB   SER  25          2HB       SER  25  -5.348   0.172   1.528
  159   2HB   SER  25          1HB       SER  25  -6.933  -0.407   1.022
  160    HG   SER  25           HG       SER  25  -5.899  -2.045   2.135
  161    H    ARG  26           H        ARG  26  -7.724  -0.122  -1.771
  162    HA   ARG  26           HA       ARG  26  -7.404   2.709  -2.588
  163   1HB   ARG  26          2HB       ARG  26  -9.228   0.397  -3.195
  164   2HB   ARG  26          1HB       ARG  26  -9.751   2.030  -3.606
  165   1HG   ARG  26          2HG       ARG  26  -7.988   2.355  -5.121
  166   2HG   ARG  26          1HG       ARG  26  -7.010   1.072  -4.405
  167   1HD   ARG  26          2HD       ARG  26  -8.957  -0.506  -5.173
  168   2HD   ARG  26          1HD       ARG  26  -9.367   0.830  -6.267
  169    HE   ARG  26           HE       ARG  26  -6.518   0.195  -6.280
  170   1HH1  ARG  26          1HH2      ARG  26  -7.861  -2.396  -6.955
  171   2HH1  ARG  26          2HH2      ARG  26  -8.035  -2.280  -8.675
  172   1HH2  ARG  26          2HH1      ARG  26  -7.502   1.152  -8.761
  173   2HH2  ARG  26          1HH1      ARG  26  -7.831  -0.265  -9.700
  174    H    LYS  27           H        LYS  27  -9.693   0.721  -0.671
  175    HA   LYS  27           HA       LYS  27 -11.391   2.889   0.161
  176   1HB   LYS  27          2HB       LYS  27 -11.177   0.080   0.449
  177   2HB   LYS  27          1HB       LYS  27 -11.209   0.734   2.086
  178   1HG   LYS  27          2HG       LYS  27 -13.197   2.175   1.246
  179   2HG   LYS  27          1HG       LYS  27 -13.269   1.030  -0.095
  180   1HD   LYS  27          2HD       LYS  27 -14.490  -0.313   1.241
  181   2HD   LYS  27          1HD       LYS  27 -13.024  -0.578   2.183
  182   1HE   LYS  27          2HE       LYS  27 -14.085   0.405   3.934
  183   2HE   LYS  27          1HE       LYS  27 -14.014   1.932   3.032
  184   1HZ   LYS  27          1HZ       LYS  27 -16.040   1.289   1.863
  185   2HZ   LYS  27          2HZ       LYS  27 -16.306   1.349   3.540
  186   3HZ   LYS  27          3HZ       LYS  27 -16.123  -0.150   2.760
  187    H    HIS  28           H        HIS  28  -8.466   1.447   1.558
  188    HA   HIS  28           HA       HIS  28  -8.568   3.245   3.914
  189   1HB   HIS  28          2HB       HIS  28  -6.584   1.132   2.999
  190   2HB   HIS  28          1HB       HIS  28  -6.591   1.909   4.581
  191    HD1  HIS  28           HD1      HIS  28  -9.317   1.756   5.610
  192    HD2  HIS  28           HD2      HIS  28  -7.797  -1.326   3.246
  193    HE1  HIS  28           HE1      HIS  28 -10.739  -0.285   6.091
  194    H    ALA  29           H        ALA  29  -7.032   3.059   0.775
  195    HA   ALA  29           HA       ALA  29  -5.539   4.498  -0.333
  196   1HB   ALA  29          1HB       ALA  29  -5.989   6.477   1.888
  197   2HB   ALA  29          2HB       ALA  29  -7.332   6.030   0.835
  198   3HB   ALA  29          3HB       ALA  29  -5.882   6.764   0.152
  199    H    TRP  30           H        TRP  30  -4.448   2.644   1.664
  200    HA   TRP  30           HA       TRP  30  -1.863   4.010   2.129
  201   1HB   TRP  30          2HB       TRP  30  -1.893   3.733   4.477
  202   2HB   TRP  30          1HB       TRP  30  -3.519   4.288   4.104
  203    HD1  TRP  30           HD1      TRP  30  -4.487   1.347   3.001
  204    HE1  TRP  30           HE1      TRP  30  -5.053  -0.448   4.755
  205    HE3  TRP  30           HE3      TRP  30  -1.973   3.231   7.018
  206    HZ2  TRP  30           HZ2      TRP  30  -4.509  -1.013   7.511
  207    HZ3  TRP  30           HZ3      TRP  30  -2.013   2.049   9.197
  208    HH2  TRP  30           HH2      TRP  30  -3.276  -0.069   9.447
  209    H    CYS  31           H        CYS  31  -0.249   2.294   3.082
  210    HA   CYS  31           HA       CYS  31  -0.306  -0.032   1.329
  211   1HB   CYS  31          2HB       CYS  31   1.636   1.464   2.404
  212   2HB   CYS  31          1HB       CYS  31   1.569   0.218   3.648
  213    H    LYS  32           H        LYS  32  -1.121  -2.030   1.812
  214    HA   LYS  32           HA       LYS  32  -1.358  -2.911   4.639
  215   1HB   LYS  32          2HB       LYS  32  -3.410  -1.634   4.093
  216   2HB   LYS  32          1HB       LYS  32  -3.678  -2.668   2.690
  217   1HG   LYS  32          2HG       LYS  32  -4.125  -4.568   4.030
  218   2HG   LYS  32          1HG       LYS  32  -3.411  -3.828   5.463
  219   1HD   LYS  32          2HD       LYS  32  -5.242  -2.350   5.753
  220   2HD   LYS  32          1HD       LYS  32  -5.839  -2.641   4.118
  221   1HE   LYS  32          2HE       LYS  32  -6.515  -4.899   4.691
  222   2HE   LYS  32          1HE       LYS  32  -5.731  -4.776   6.279
  223   1HZ   LYS  32          1HZ       LYS  32  -7.998  -3.131   5.282
  224   2HZ   LYS  32          2HZ       LYS  32  -7.170  -2.836   6.738
  225   3HZ   LYS  32          3HZ       LYS  32  -8.051  -4.275   6.534
  226    H    TYR  33           H        TYR  33  -1.710  -5.240   4.788
  227    HA   TYR  33           HA       TYR  33  -0.583  -6.741   2.526
  228   1HB   TYR  33          2HB       TYR  33  -0.305  -6.971   5.152
  229   2HB   TYR  33          1HB       TYR  33  -1.757  -7.963   5.012
  230    HD1  TYR  33           HD1      TYR  33  -1.738 -10.058   3.728
  231    HD2  TYR  33           HD2      TYR  33   1.810  -7.677   4.169
  232    HE1  TYR  33           HE1      TYR  33  -0.365 -11.959   2.926
  233    HE2  TYR  33           HE2      TYR  33   3.185  -9.581   3.368
  234    HH   TYR  33           HH       TYR  33   2.465 -12.511   3.406
  235    H    GLU  34           H        GLU  34  -1.830  -7.686   0.958
  236    HA   GLU  34           HA       GLU  34  -4.700  -7.499   0.927
  237   1HB   GLU  34          2HB       GLU  34  -4.479  -8.723  -1.158
  238   2HB   GLU  34          1HB       GLU  34  -3.120  -7.608  -1.035
  239   1HG   GLU  34          2HG       GLU  34  -1.769  -9.383  -1.376
  240   2HG   GLU  34          1HG       GLU  34  -2.217  -9.935   0.237
  241    H    ILE  35           H        ILE  35  -6.262  -9.232   1.062
  242    HA   ILE  35           HA       ILE  35  -5.343 -11.562   2.719
  243    HB   ILE  35           HB       ILE  35  -7.961 -10.026   2.594
  244   1HG1  ILE  35          2HG1      ILE  35  -6.509 -10.384   5.143
  245   2HG1  ILE  35          1HG1      ILE  35  -5.646  -9.418   3.946
  246   1HG2  ILE  35          1HG2      ILE  35  -7.192 -12.558   4.058
  247   2HG2  ILE  35          2HG2      ILE  35  -8.584 -12.288   3.009
  248   3HG2  ILE  35          3HG2      ILE  35  -8.518 -11.529   4.599
  249   1HD1  ILE  35          1HD1      ILE  35  -7.637  -7.978   3.678
  250   2HD1  ILE  35          2HD1      ILE  35  -7.079  -7.987   5.351
  251   3HD1  ILE  35          3HD1      ILE  35  -8.490  -8.938   4.887
  252   1HN   NH2  36          1HN       NH2  36  -6.756 -14.007   0.654
  253   2HN   NH2  36          2HN       NH2  36  -6.304 -13.600   2.324
  Start of MODEL   14
    1   1H    GLU   1          1H        GLU   1  14.586   1.293   1.883
    2   2H    GLU   1          2H        GLU   1  14.661  -0.402   1.780
    3   3H    GLU   1          3H        GLU   1  15.571   0.420   2.956
    4    HA   GLU   1           HA       GLU   1  13.581  -0.637   3.919
    5   1HB   GLU   1          2HB       GLU   1  14.720   1.847   4.291
    6   2HB   GLU   1          1HB       GLU   1  13.012   2.253   4.121
    7   1HG   GLU   1          2HG       GLU   1  14.003   0.071   5.972
    8   2HG   GLU   1          1HG       GLU   1  13.774   1.740   6.495
    9    H    CYS   2           H        CYS   2  11.394  -1.057   3.699
   10    HA   CYS   2           HA       CYS   2   9.916   0.392   1.517
   11   1HB   CYS   2          2HB       CYS   2   8.782  -1.767   1.152
   12   2HB   CYS   2          1HB       CYS   2  10.530  -1.970   1.045
   13    H    LEU   3           H        LEU   3   7.426   0.105   1.880
   14    HA   LEU   3           HA       LEU   3   6.830   0.975   4.660
   15   1HB   LEU   3          2HB       LEU   3   5.286   0.986   2.046
   16   2HB   LEU   3          1HB       LEU   3   4.649   1.619   3.563
   17    HG   LEU   3           HG       LEU   3   7.284   2.562   2.421
   18   1HD1  LEU   3          1HD1      LEU   3   5.315   2.899   0.827
   19   2HD1  LEU   3          2HD1      LEU   3   6.160   4.365   1.323
   20   3HD1  LEU   3          3HD1      LEU   3   4.615   3.946   2.062
   21   1HD2  LEU   3          1HD2      LEU   3   6.682   4.568   3.834
   22   2HD2  LEU   3          2HD2      LEU   3   6.940   3.091   4.761
   23   3HD2  LEU   3          3HD2      LEU   3   5.300   3.657   4.442
   24    H    GLY   4           H        GLY   4   5.747  -0.342   6.084
   25   1HA   GLY   4          2HA       GLY   4   5.083  -3.077   5.290
   26   2HA   GLY   4          1HA       GLY   4   4.912  -2.396   6.908
   27    H    PHE   5           H        PHE   5   2.808  -3.701   6.663
   28    HA   PHE   5           HA       PHE   5   0.703  -2.758   4.923
   29   1HB   PHE   5          2HB       PHE   5   0.546  -4.961   5.775
   30   2HB   PHE   5          1HB       PHE   5   0.909  -4.445   7.420
   31    HD1  PHE   5           HD1      PHE   5  -1.632  -3.758   4.731
   32    HD2  PHE   5           HD2      PHE   5  -0.861  -4.321   8.919
   33    HE1  PHE   5           HE1      PHE   5  -4.055  -3.533   5.210
   34    HE2  PHE   5           HE2      PHE   5  -3.284  -4.097   9.396
   35    HZ   PHE   5           HZ       PHE   5  -4.880  -3.703   7.540
   36    H    GLY   6           H        GLY   6  -0.806  -1.147   5.258
   37   1HA   GLY   6          2HA       GLY   6  -1.967   0.603   6.294
   38   2HA   GLY   6          1HA       GLY   6  -1.442  -0.040   7.850
   39    H    LYS   7           H        LYS   7   0.130   1.466   5.008
   40    HA   LYS   7           HA       LYS   7   1.482   3.382   6.871
   41   1HB   LYS   7          2HB       LYS   7   2.585   1.387   4.948
   42   2HB   LYS   7          1HB       LYS   7   3.382   2.960   4.984
   43   1HG   LYS   7          2HG       LYS   7   2.841   1.269   7.443
   44   2HG   LYS   7          1HG       LYS   7   4.382   1.309   6.586
   45   1HD   LYS   7          2HD       LYS   7   3.656   4.010   7.019
   46   2HD   LYS   7          1HD       LYS   7   3.354   3.170   8.540
   47   1HE   LYS   7          2HE       LYS   7   5.662   2.208   8.432
   48   2HE   LYS   7          1HE       LYS   7   5.960   3.173   6.973
   49   1HZ   LYS   7          1HZ       LYS   7   5.102   4.252   9.609
   50   2HZ   LYS   7          2HZ       LYS   7   5.388   5.168   8.207
   51   3HZ   LYS   7          3HZ       LYS   7   6.670   4.357   8.972
   52    H    GLY   8           H        GLY   8   0.894   5.413   6.230
   53   1HA   GLY   8          2HA       GLY   8  -0.540   6.109   3.936
   54   2HA   GLY   8          1HA       GLY   8   0.467   7.248   4.827
   55    H    CYS   9           H        CYS   9  -0.032   6.164   1.827
   56    HA   CYS   9           HA       CYS   9   2.731   6.821   0.947
   57   1HB   CYS   9          2HB       CYS   9   2.784   4.751  -0.423
   58   2HB   CYS   9          1HB       CYS   9   2.618   4.369   1.290
   59    H    ASN  10           H        ASN  10   2.296   6.122  -1.783
   60    HA   ASN  10           HA       ASN  10  -0.033   7.867  -2.525
   61   1HB   ASN  10          2HB       ASN  10   2.853   7.800  -3.378
   62   2HB   ASN  10          1HB       ASN  10   1.633   8.411  -4.495
   63   1HD2  ASN  10          1HD2      ASN  10   3.670   9.337  -1.934
   64   2HD2  ASN  10          2HD2      ASN  10   2.892  10.787  -1.517
   65    HA   PRO  11           HA       PRO  11  -1.211   4.448  -5.069
   66   1HB   PRO  11          2HB       PRO  11  -2.812   5.776  -6.857
   67   2HB   PRO  11          1HB       PRO  11  -3.311   5.408  -5.194
   68   1HG   PRO  11          2HG       PRO  11  -2.283   7.958  -6.340
   69   2HG   PRO  11          1HG       PRO  11  -3.564   7.692  -5.147
   70   1HD   PRO  11          2HD       PRO  11  -1.053   8.500  -4.482
   71   2HD   PRO  11          1HD       PRO  11  -2.089   7.545  -3.399
   72    H    SER  12           H        SER  12  -0.255   7.454  -6.785
   73    HA   SER  12           HA       SER  12   0.589   6.098  -9.210
   74   1HB   SER  12          2HB       SER  12   0.979   8.831  -7.980
   75   2HB   SER  12          1HB       SER  12   1.737   8.403  -9.511
   76    HG   SER  12           HG       SER  12  -0.940   8.814  -8.872
   77    H    ASN  13           H        ASN  13   2.240   7.298  -6.301
   78    HA   ASN  13           HA       ASN  13   4.786   6.019  -7.217
   79   1HB   ASN  13          2HB       ASN  13   4.415   8.524  -6.442
   80   2HB   ASN  13          1HB       ASN  13   4.486   7.823  -4.825
   81   1HD2  ASN  13          1HD2      ASN  13   6.520   6.653  -4.231
   82   2HD2  ASN  13          2HD2      ASN  13   7.965   7.014  -5.045
   83    H    ASP  14           H        ASP  14   3.348   3.988  -6.570
   84    HA   ASP  14           HA       ASP  14   2.874   3.415  -3.786
   85   1HB   ASP  14          2HB       ASP  14   1.711   2.286  -5.605
   86   2HB   ASP  14          1HB       ASP  14   3.235   1.677  -6.250
   87    H    GLN  15           H        GLN  15   4.554   3.357  -2.338
   88    HA   GLN  15           HA       GLN  15   7.100   1.999  -3.155
   89   1HB   GLN  15          2HB       GLN  15   6.733   4.556  -2.354
   90   2HB   GLN  15          1HB       GLN  15   6.942   3.791  -0.778
   91   1HG   GLN  15          2HG       GLN  15   9.164   3.958  -1.166
   92   2HG   GLN  15          1HG       GLN  15   8.941   2.623  -2.296
   93   1HE2  GLN  15          1HE2      GLN  15   9.461   6.104  -2.058
   94   2HE2  GLN  15          2HE2      GLN  15   9.669   6.370  -3.722
   95    H    CYS  16           H        CYS  16   4.697   0.608  -2.154
   96    HA   CYS  16           HA       CYS  16   5.137  -0.039   0.669
   97   1HB   CYS  16          2HB       CYS  16   3.296  -0.788  -1.560
   98   2HB   CYS  16          1HB       CYS  16   3.441  -1.926  -0.221
   99    H    CYS  17           H        CYS  17   5.588  -2.318   1.354
  100    HA   CYS  17           HA       CYS  17   7.944  -3.384   0.029
  101   1HB   CYS  17          2HB       CYS  17   6.833  -3.425   2.551
  102   2HB   CYS  17          1HB       CYS  17   6.522  -5.068   1.991
  103    H    LYS  18           H        LYS  18   7.816  -4.595  -1.806
  104    HA   LYS  18           HA       LYS  18   5.397  -5.825  -2.781
  105   1HB   LYS  18          2HB       LYS  18   7.419  -4.977  -4.071
  106   2HB   LYS  18          1HB       LYS  18   8.269  -6.429  -3.543
  107   1HG   LYS  18          2HG       LYS  18   7.332  -6.855  -5.739
  108   2HG   LYS  18          1HG       LYS  18   6.427  -7.801  -4.557
  109   1HD   LYS  18          2HD       LYS  18   4.570  -6.345  -4.632
  110   2HD   LYS  18          1HD       LYS  18   5.508  -5.045  -5.367
  111   1HE   LYS  18          2HE       LYS  18   4.299  -5.888  -7.208
  112   2HE   LYS  18          1HE       LYS  18   5.830  -6.775  -7.339
  113   1HZ   LYS  18          1HZ       LYS  18   3.812  -8.217  -7.398
  114   2HZ   LYS  18          2HZ       LYS  18   3.482  -7.752  -5.798
  115   3HZ   LYS  18          3HZ       LYS  18   4.903  -8.612  -6.161
  116    H    SER  19           H        SER  19   8.161  -7.045  -0.912
  117    HA   SER  19           HA       SER  19   7.692  -9.848  -1.168
  118   1HB   SER  19          2HB       SER  19   9.660  -8.538  -0.158
  119   2HB   SER  19          1HB       SER  19   8.684  -8.401   1.301
  120    HG   SER  19           HG       SER  19   9.733 -10.254   1.627
  121    H    SER  20           H        SER  20   6.259  -7.408   0.987
  122    HA   SER  20           HA       SER  20   4.744  -9.368   2.562
  123   1HB   SER  20          2HB       SER  20   4.778  -6.348   2.319
  124   2HB   SER  20          1HB       SER  20   3.749  -7.207   3.462
  125    HG   SER  20           HG       SER  20   6.256  -6.518   3.778
  126    H    ASN  21           H        ASN  21   4.342  -8.142  -0.561
  127    HA   ASN  21           HA       ASN  21   2.536  -8.101  -2.059
  128   1HB   ASN  21          2HB       ASN  21   2.466 -10.413  -0.709
  129   2HB   ASN  21          1HB       ASN  21   0.937  -9.745  -0.134
  130   1HD2  ASN  21          1HD2      ASN  21  -0.555  -8.896  -1.982
  131   2HD2  ASN  21          2HD2      ASN  21  -0.567  -9.790  -3.425
  132    H    LEU  22           H        LEU  22   2.504  -5.760  -0.981
  133    HA   LEU  22           HA       LEU  22  -0.260  -5.303   0.104
  134   1HB   LEU  22          2HB       LEU  22   2.416  -4.044   0.764
  135   2HB   LEU  22          1HB       LEU  22   0.883  -3.330   1.263
  136    HG   LEU  22           HG       LEU  22   1.568  -6.206   1.887
  137   1HD1  LEU  22          1HD1      LEU  22   2.121  -3.745   3.573
  138   2HD1  LEU  22          2HD1      LEU  22   3.338  -4.794   2.847
  139   3HD1  LEU  22          3HD1      LEU  22   2.287  -5.413   4.121
  140   1HD2  LEU  22          1HD2      LEU  22  -0.762  -5.691   2.151
  141   2HD2  LEU  22          2HD2      LEU  22  -0.400  -4.158   2.944
  142   3HD2  LEU  22          3HD2      LEU  22  -0.068  -5.680   3.772
  143    H    VAL  23           H        VAL  23  -1.271  -3.310  -0.613
  144    HA   VAL  23           HA       VAL  23   0.048  -1.960  -2.946
  145    HB   VAL  23           HB       VAL  23  -2.254  -2.005  -4.009
  146   1HG1  VAL  23          1HG1      VAL  23  -1.159  -4.756  -3.366
  147   2HG1  VAL  23          2HG1      VAL  23  -0.417  -3.657  -4.528
  148   3HG1  VAL  23          3HG1      VAL  23  -2.045  -4.272  -4.811
  149   1HG2  VAL  23          1HG2      VAL  23  -3.453  -2.420  -1.815
  150   2HG2  VAL  23          2HG2      VAL  23  -2.846  -4.075  -1.872
  151   3HG2  VAL  23          3HG2      VAL  23  -3.940  -3.493  -3.127
  152    H    CYS  24           H        CYS  24  -0.382   0.277  -3.093
  153    HA   CYS  24           HA       CYS  24  -1.280   1.624  -0.677
  154   1HB   CYS  24          2HB       CYS  24  -0.369   2.392  -3.441
  155   2HB   CYS  24          1HB       CYS  24  -1.060   3.621  -2.383
  156    H    SER  25           H        SER  25  -3.402   1.915  -0.159
  157    HA   SER  25           HA       SER  25  -5.577   1.444  -2.016
  158   1HB   SER  25          2HB       SER  25  -5.482   1.125   0.521
  159   2HB   SER  25          1HB       SER  25  -5.656   2.873   0.656
  160    HG   SER  25           HG       SER  25  -7.678   2.719   0.036
  161    H    ARG  26           H        ARG  26  -7.255   3.088  -2.530
  162    HA   ARG  26           HA       ARG  26  -6.023   5.698  -3.259
  163   1HB   ARG  26          2HB       ARG  26  -7.226   4.187  -4.890
  164   2HB   ARG  26          1HB       ARG  26  -8.712   4.491  -3.989
  165   1HG   ARG  26          2HG       ARG  26  -7.216   6.927  -4.725
  166   2HG   ARG  26          1HG       ARG  26  -7.841   6.015  -6.098
  167   1HD   ARG  26          2HD       ARG  26  -9.742   6.355  -3.839
  168   2HD   ARG  26          1HD       ARG  26  -9.340   7.831  -4.739
  169    HE   ARG  26           HE       ARG  26 -10.029   6.654  -6.814
  170   1HH1  ARG  26          1HH2      ARG  26  -9.910   3.831  -6.062
  171   2HH1  ARG  26          2HH2      ARG  26 -11.557   3.438  -5.696
  172   1HH2  ARG  26          2HH1      ARG  26 -12.553   6.749  -5.360
  173   2HH2  ARG  26          1HH1      ARG  26 -13.056   5.093  -5.298
  174    H    LYS  27           H        LYS  27  -8.796   4.364  -1.445
  175    HA   LYS  27           HA       LYS  27  -9.982   6.892  -0.740
  176   1HB   LYS  27          2HB       LYS  27 -11.036   4.601  -0.717
  177   2HB   LYS  27          1HB       LYS  27 -10.086   4.239   0.723
  178   1HG   LYS  27          2HG       LYS  27 -11.630   5.256   2.003
  179   2HG   LYS  27          1HG       LYS  27 -11.361   6.764   1.129
  180   1HD   LYS  27          2HD       LYS  27 -12.933   5.927  -0.652
  181   2HD   LYS  27          1HD       LYS  27 -13.301   4.556   0.395
  182   1HE   LYS  27          2HE       LYS  27 -14.292   5.945   2.055
  183   2HE   LYS  27          1HE       LYS  27 -13.585   7.415   1.356
  184   1HZ   LYS  27          1HZ       LYS  27 -14.868   7.025  -0.664
  185   2HZ   LYS  27          2HZ       LYS  27 -15.897   7.172   0.680
  186   3HZ   LYS  27          3HZ       LYS  27 -15.567   5.640   0.024
  187    H    HIS  28           H        HIS  28  -7.810   4.702   1.069
  188    HA   HIS  28           HA       HIS  28  -7.448   6.774   3.170
  189   1HB   HIS  28          2HB       HIS  28  -6.937   3.836   2.837
  190   2HB   HIS  28          1HB       HIS  28  -6.032   4.719   4.067
  191    HD1  HIS  28           HD1      HIS  28  -7.832   6.458   5.481
  192    HD2  HIS  28           HD2      HIS  28  -9.263   2.860   3.933
  193    HE1  HIS  28           HE1      HIS  28  -9.958   5.928   6.751
  194    H    ALA  29           H        ALA  29  -5.878   5.732   0.296
  195    HA   ALA  29           HA       ALA  29  -3.762   6.211  -0.626
  196   1HB   ALA  29          1HB       ALA  29  -3.697   8.387   1.476
  197   2HB   ALA  29          2HB       ALA  29  -4.777   8.466   0.084
  198   3HB   ALA  29          3HB       ALA  29  -3.031   8.434  -0.156
  199    H    TRP  30           H        TRP  30  -3.640   4.136   1.241
  200    HA   TRP  30           HA       TRP  30  -0.882   4.470   2.271
  201   1HB   TRP  30          2HB       TRP  30  -1.448   4.030   4.538
  202   2HB   TRP  30          1HB       TRP  30  -2.640   5.206   4.004
  203    HD1  TRP  30           HD1      TRP  30  -4.423   2.999   2.377
  204    HE1  TRP  30           HE1      TRP  30  -5.945   1.440   3.745
  205    HE3  TRP  30           HE3      TRP  30  -2.179   3.384   6.938
  206    HZ2  TRP  30           HZ2      TRP  30  -6.182   0.485   6.431
  207    HZ3  TRP  30           HZ3      TRP  30  -3.074   2.141   8.887
  208    HH2  TRP  30           HH2      TRP  30  -5.071   0.692   8.638
  209    H    CYS  31           H        CYS  31  -0.046   2.296   3.113
  210    HA   CYS  31           HA       CYS  31  -0.406   0.236   1.177
  211   1HB   CYS  31          2HB       CYS  31   1.327   0.842   3.225
  212   2HB   CYS  31          1HB       CYS  31   0.497  -0.574   3.869
  213    H    LYS  32           H        LYS  32  -1.897  -1.407   1.035
  214    HA   LYS  32           HA       LYS  32  -3.587  -2.037   3.423
  215   1HB   LYS  32          2HB       LYS  32  -4.629  -0.388   1.818
  216   2HB   LYS  32          1HB       LYS  32  -4.556  -1.636   0.574
  217   1HG   LYS  32          2HG       LYS  32  -6.624  -2.199   1.332
  218   2HG   LYS  32          1HG       LYS  32  -5.740  -3.000   2.631
  219   1HD   LYS  32          2HD       LYS  32  -5.821  -0.791   3.891
  220   2HD   LYS  32          1HD       LYS  32  -6.960  -0.230   2.666
  221   1HE   LYS  32          2HE       LYS  32  -8.493  -1.104   4.162
  222   2HE   LYS  32          1HE       LYS  32  -8.113  -2.608   3.301
  223   1HZ   LYS  32          1HZ       LYS  32  -6.731  -1.597   5.735
  224   2HZ   LYS  32          2HZ       LYS  32  -6.320  -3.013   4.889
  225   3HZ   LYS  32          3HZ       LYS  32  -7.817  -2.898   5.683
  226    H    TYR  33           H        TYR  33  -4.357  -4.222   3.452
  227    HA   TYR  33           HA       TYR  33  -2.723  -6.134   1.937
  228   1HB   TYR  33          2HB       TYR  33  -3.536  -6.173   4.415
  229   2HB   TYR  33          1HB       TYR  33  -5.055  -6.770   3.746
  230    HD1  TYR  33           HD1      TYR  33  -5.300  -9.044   3.168
  231    HD2  TYR  33           HD2      TYR  33  -1.369  -7.419   3.770
  232    HE1  TYR  33           HE1      TYR  33  -4.331 -11.321   2.996
  233    HE2  TYR  33           HE2      TYR  33  -0.401  -9.695   3.597
  234    HH   TYR  33           HH       TYR  33  -1.804 -12.328   4.061
  235    H    GLU  34           H        GLU  34  -3.755  -7.928   0.704
  236    HA   GLU  34           HA       GLU  34  -6.391  -7.172  -0.512
  237   1HB   GLU  34          2HB       GLU  34  -5.289  -8.069  -2.679
  238   2HB   GLU  34          1HB       GLU  34  -4.773  -6.486  -2.106
  239   1HG   GLU  34          2HG       GLU  34  -2.799  -7.752  -2.724
  240   2HG   GLU  34          1HG       GLU  34  -2.824  -7.602  -0.969
  241    H    ILE  35           H        ILE  35  -6.969  -9.227  -2.071
  242    HA   ILE  35           HA       ILE  35  -6.600 -11.697  -0.407
  243    HB   ILE  35           HB       ILE  35  -8.822 -10.509  -0.207
  244   1HG1  ILE  35          2HG1      ILE  35  -9.360 -13.115  -1.576
  245   2HG1  ILE  35          1HG1      ILE  35  -8.317 -13.128  -0.153
  246   1HG2  ILE  35          1HG2      ILE  35 -10.354 -10.513  -2.066
  247   2HG2  ILE  35          2HG2      ILE  35  -9.234 -11.445  -3.060
  248   3HG2  ILE  35          3HG2      ILE  35  -8.854  -9.777  -2.630
  249   1HD1  ILE  35          1HD1      ILE  35 -10.613 -13.470   0.566
  250   2HD1  ILE  35          2HD1      ILE  35 -11.139 -12.036  -0.316
  251   3HD1  ILE  35          3HD1      ILE  35 -10.090 -11.869   1.092
  252   1HN   NH2  36          1HN       NH2  36  -6.618 -13.754  -3.486
  253   2HN   NH2  36          2HN       NH2  36  -7.689 -13.678  -2.069
  Start of MODEL   15
    1   1H    GLU   1          1H        GLU   1 -13.501   0.844   4.319
    2   2H    GLU   1          2H        GLU   1 -14.645   1.998   4.815
    3   3H    GLU   1          3H        GLU   1 -13.443   1.470   5.895
    4    HA   GLU   1           HA       GLU   1 -12.979   3.044   3.408
    5   1HB   GLU   1          2HB       GLU   1 -13.797   3.695   6.077
    6   2HB   GLU   1          1HB       GLU   1 -12.150   4.283   5.852
    7   1HG   GLU   1          2HG       GLU   1 -13.322   6.081   4.992
    8   2HG   GLU   1          1HG       GLU   1 -13.137   5.119   3.526
    9    H    CYS   2           H        CYS   2 -11.068   2.260   2.587
   10    HA   CYS   2           HA       CYS   2  -8.729   2.043   4.421
   11   1HB   CYS   2          2HB       CYS   2  -8.215  -0.187   3.587
   12   2HB   CYS   2          1HB       CYS   2  -9.875  -0.188   4.179
   13    H    LEU   3           H        LEU   3  -6.662   1.793   3.068
   14    HA   LEU   3           HA       LEU   3  -6.790   3.659   0.775
   15   1HB   LEU   3          2HB       LEU   3  -4.506   2.271   2.219
   16   2HB   LEU   3          1HB       LEU   3  -4.306   3.519   0.994
   17    HG   LEU   3           HG       LEU   3  -6.046   4.059   3.385
   18   1HD1  LEU   3          1HD1      LEU   3  -4.233   4.634   4.758
   19   2HD1  LEU   3          2HD1      LEU   3  -3.105   4.701   3.404
   20   3HD1  LEU   3          3HD1      LEU   3  -3.675   3.142   3.999
   21   1HD2  LEU   3          1HD2      LEU   3  -4.262   5.760   1.610
   22   2HD2  LEU   3          2HD2      LEU   3  -5.243   6.372   2.941
   23   3HD2  LEU   3          3HD2      LEU   3  -6.021   5.665   1.525
   24    H    GLY   4           H        GLY   4  -7.353   2.703  -1.156
   25   1HA   GLY   4          2HA       GLY   4  -6.795  -0.089  -1.750
   26   2HA   GLY   4          1HA       GLY   4  -7.479   1.089  -2.869
   27    H    PHE   5           H        PHE   5  -5.866  -0.222  -4.286
   28    HA   PHE   5           HA       PHE   5  -3.037   0.100  -4.041
   29   1HB   PHE   5          2HB       PHE   5  -4.289  -1.508  -5.498
   30   2HB   PHE   5          1HB       PHE   5  -4.746  -0.158  -6.537
   31    HD1  PHE   5           HD1      PHE   5  -1.791  -1.958  -5.127
   32    HD2  PHE   5           HD2      PHE   5  -3.279   0.637  -8.212
   33    HE1  PHE   5           HE1      PHE   5   0.370  -2.142  -6.327
   34    HE2  PHE   5           HE2      PHE   5  -1.116   0.451  -9.410
   35    HZ   PHE   5           HZ       PHE   5   0.708  -0.938  -8.467
   36    H    GLY   6           H        GLY   6  -1.773   1.894  -4.349
   37   1HA   GLY   6          2HA       GLY   6  -1.076   3.820  -5.659
   38   2HA   GLY   6          1HA       GLY   6  -2.754   4.062  -6.139
   39    H    LYS   7           H        LYS   7  -3.681   3.661  -3.285
   40    HA   LYS   7           HA       LYS   7  -3.690   6.406  -2.454
   41   1HB   LYS   7          2HB       LYS   7  -4.417   3.742  -1.258
   42   2HB   LYS   7          1HB       LYS   7  -4.475   5.188  -0.253
   43   1HG   LYS   7          2HG       LYS   7  -5.719   5.570  -2.883
   44   2HG   LYS   7          1HG       LYS   7  -6.507   4.322  -1.919
   45   1HD   LYS   7          2HD       LYS   7  -7.359   5.832  -0.468
   46   2HD   LYS   7          1HD       LYS   7  -5.822   6.689  -0.340
   47   1HE   LYS   7          2HE       LYS   7  -6.649   8.336  -1.654
   48   2HE   LYS   7          1HE       LYS   7  -6.874   7.163  -2.967
   49   1HZ   LYS   7          1HZ       LYS   7  -8.991   8.144  -2.283
   50   2HZ   LYS   7          2HZ       LYS   7  -8.751   7.586  -0.697
   51   3HZ   LYS   7          3HZ       LYS   7  -8.960   6.478  -1.969
   52    H    GLY   8           H        GLY   8  -2.246   7.542  -1.203
   53   1HA   GLY   8          2HA       GLY   8   0.342   6.474  -0.583
   54   2HA   GLY   8          1HA       GLY   8  -0.281   8.020  -0.016
   55    H    CYS   9           H        CYS   9   1.199   5.716   1.345
   56    HA   CYS   9           HA       CYS   9  -0.503   5.676   3.788
   57   1HB   CYS   9          2HB       CYS   9   0.045   3.164   3.927
   58   2HB   CYS   9          1HB       CYS   9  -1.147   3.639   2.720
   59    H    ASN  10           H        ASN  10   1.003   4.158   5.444
   60    HA   ASN  10           HA       ASN  10   3.660   5.540   5.443
   61   1HB   ASN  10          2HB       ASN  10   1.906   4.315   7.592
   62   2HB   ASN  10          1HB       ASN  10   3.530   4.923   7.907
   63   1HD2  ASN  10          1HD2      ASN  10   0.207   5.874   7.256
   64   2HD2  ASN  10          2HD2      ASN  10   0.452   7.544   7.431
   65    HA   PRO  11           HA       PRO  11   5.568   1.624   4.665
   66   1HB   PRO  11          2HB       PRO  11   8.071   2.178   5.643
   67   2HB   PRO  11          1HB       PRO  11   7.476   2.793   4.087
   68   1HG   PRO  11          2HG       PRO  11   7.627   4.167   6.729
   69   2HG   PRO  11          1HG       PRO  11   7.990   4.790   5.112
   70   1HD   PRO  11          2HD       PRO  11   5.672   5.337   6.397
   71   2HD   PRO  11          1HD       PRO  11   5.780   5.206   4.627
   72    H    SER  12           H        SER  12   6.038   3.115   7.886
   73    HA   SER  12           HA       SER  12   6.521   0.512   9.172
   74   1HB   SER  12          2HB       SER  12   6.224   3.379  10.090
   75   2HB   SER  12          1HB       SER  12   6.448   2.052  11.226
   76    HG   SER  12           HG       SER  12   8.207   3.158   9.365
   77    H    ASN  13           H        ASN  13   3.913   2.927   9.010
   78    HA   ASN  13           HA       ASN  13   2.080   0.971  10.363
   79   1HB   ASN  13          2HB       ASN  13   2.689   3.295  11.357
   80   2HB   ASN  13          1HB       ASN  13   1.666   3.953  10.080
   81   1HD2  ASN  13          1HD2      ASN  13  -0.646   3.590  10.228
   82   2HD2  ASN  13          2HD2      ASN  13  -1.365   2.931  11.617
   83    H    ASP  14           H        ASP  14   2.189   0.201   7.888
   84    HA   ASP  14           HA       ASP  14   0.775   1.732   5.894
   85   1HB   ASP  14          2HB       ASP  14   2.289  -0.022   5.251
   86   2HB   ASP  14          1HB       ASP  14   1.446  -1.203   6.253
   87    H    GLN  15           H        GLN  15  -1.361   2.253   6.053
   88    HA   GLN  15           HA       GLN  15  -3.219   0.355   7.434
   89   1HB   GLN  15          2HB       GLN  15  -2.907   3.286   7.171
   90   2HB   GLN  15          1HB       GLN  15  -4.574   2.717   7.071
   91   1HG   GLN  15          2HG       GLN  15  -2.707   1.792   9.260
   92   2HG   GLN  15          1HG       GLN  15  -3.679   3.256   9.421
   93   1HE2  GLN  15          1HE2      GLN  15  -6.110   2.954   9.168
   94   2HE2  GLN  15          2HE2      GLN  15  -6.791   1.467   9.623
   95    H    CYS  16           H        CYS  16  -2.371  -0.213   4.745
   96    HA   CYS  16           HA       CYS  16  -4.370   0.734   2.838
   97   1HB   CYS  16          2HB       CYS  16  -1.974  -0.985   2.935
   98   2HB   CYS  16          1HB       CYS  16  -3.183  -1.507   1.764
   99    H    CYS  17           H        CYS  17  -5.657  -1.026   1.591
  100    HA   CYS  17           HA       CYS  17  -7.443  -2.370   3.430
  101   1HB   CYS  17          2HB       CYS  17  -7.383  -1.554   0.742
  102   2HB   CYS  17          1HB       CYS  17  -7.523  -3.310   0.672
  103    H    LYS  18           H        LYS  18  -6.680  -4.115   4.572
  104    HA   LYS  18           HA       LYS  18  -4.586  -5.892   3.688
  105   1HB   LYS  18          2HB       LYS  18  -6.611  -5.746   5.894
  106   2HB   LYS  18          1HB       LYS  18  -5.746  -7.265   5.653
  107   1HG   LYS  18          2HG       LYS  18  -3.611  -5.770   5.594
  108   2HG   LYS  18          1HG       LYS  18  -4.635  -4.559   6.367
  109   1HD   LYS  18          2HD       LYS  18  -4.801  -5.747   8.326
  110   2HD   LYS  18          1HD       LYS  18  -4.722  -7.307   7.509
  111   1HE   LYS  18          2HE       LYS  18  -2.261  -5.620   7.382
  112   2HE   LYS  18          1HE       LYS  18  -2.649  -6.362   8.946
  113   1HZ   LYS  18          1HZ       LYS  18  -1.360  -7.871   7.535
  114   2HZ   LYS  18          2HZ       LYS  18  -2.566  -7.796   6.340
  115   3HZ   LYS  18          3HZ       LYS  18  -2.905  -8.493   7.853
  116    H    SER  19           H        SER  19  -8.073  -5.894   3.230
  117    HA   SER  19           HA       SER  19  -8.520  -8.654   2.669
  118   1HB   SER  19          2HB       SER  19 -10.146  -6.686   2.990
  119   2HB   SER  19          1HB       SER  19  -9.844  -6.303   1.298
  120    HG   SER  19           HG       SER  19 -11.317  -8.323   2.426
  121    H    SER  20           H        SER  20  -7.247  -6.029   0.630
  122    HA   SER  20           HA       SER  20  -7.190  -7.786  -1.762
  123   1HB   SER  20          2HB       SER  20  -6.536  -4.890  -1.176
  124   2HB   SER  20          1HB       SER  20  -6.257  -5.621  -2.755
  125    HG   SER  20           HG       SER  20  -8.344  -5.649  -3.107
  126    H    ASN  21           H        ASN  21  -5.236  -7.529   0.898
  127    HA   ASN  21           HA       ASN  21  -2.990  -8.065   1.330
  128   1HB   ASN  21          2HB       ASN  21  -3.972  -9.591  -0.879
  129   2HB   ASN  21          1HB       ASN  21  -2.294  -9.177  -1.224
  130   1HD2  ASN  21          1HD2      ASN  21  -0.730  -9.597   0.712
  131   2HD2  ASN  21          2HD2      ASN  21  -1.031 -10.982   1.647
  132    H    LEU  22           H        LEU  22  -3.007  -5.488   0.950
  133    HA   LEU  22           HA       LEU  22  -0.994  -4.871  -1.195
  134   1HB   LEU  22          2HB       LEU  22  -3.209  -3.235   0.080
  135   2HB   LEU  22          1HB       LEU  22  -2.004  -2.554  -1.013
  136    HG   LEU  22           HG       LEU  22  -3.800  -4.885  -1.739
  137   1HD1  LEU  22          1HD1      LEU  22  -4.167  -2.211  -2.985
  138   2HD1  LEU  22          2HD1      LEU  22  -4.726  -2.377  -1.321
  139   3HD1  LEU  22          3HD1      LEU  22  -5.367  -3.437  -2.576
  140   1HD2  LEU  22          1HD2      LEU  22  -1.822  -3.151  -3.233
  141   2HD2  LEU  22          2HD2      LEU  22  -3.069  -4.070  -4.076
  142   3HD2  LEU  22          3HD2      LEU  22  -1.855  -4.910  -3.111
  143    H    VAL  23           H        VAL  23   0.798  -3.578  -0.584
  144    HA   VAL  23           HA       VAL  23   1.082  -3.002   2.351
  145    HB   VAL  23           HB       VAL  23   3.479  -3.694   2.047
  146   1HG1  VAL  23          1HG1      VAL  23   3.042  -6.062   2.092
  147   2HG1  VAL  23          2HG1      VAL  23   1.543  -5.858   1.186
  148   3HG1  VAL  23          3HG1      VAL  23   1.661  -5.260   2.841
  149   1HG2  VAL  23          1HG2      VAL  23   2.558  -4.797  -0.622
  150   2HG2  VAL  23          2HG2      VAL  23   4.196  -4.783   0.031
  151   3HG2  VAL  23          3HG2      VAL  23   3.434  -3.274  -0.469
  152    H    CYS  24           H        CYS  24   2.769  -1.290   2.776
  153    HA   CYS  24           HA       CYS  24   2.509   0.894   0.799
  154   1HB   CYS  24          2HB       CYS  24   2.342   0.830   3.471
  155   2HB   CYS  24          1HB       CYS  24   4.073   1.129   3.335
  156    H    SER  25           H        SER  25   4.208   1.703  -0.414
  157    HA   SER  25           HA       SER  25   6.753   0.149  -0.383
  158   1HB   SER  25          2HB       SER  25   7.007   1.132  -2.628
  159   2HB   SER  25          1HB       SER  25   5.415   0.398  -2.462
  160    HG   SER  25           HG       SER  25   5.610   2.640  -3.359
  161    H    ARG  26           H        ARG  26   8.727   1.625  -1.014
  162    HA   ARG  26           HA       ARG  26   8.775   3.926   0.897
  163   1HB   ARG  26          2HB       ARG  26  10.758   1.966  -0.229
  164   2HB   ARG  26          1HB       ARG  26  11.333   3.500   0.421
  165   1HG   ARG  26          2HG       ARG  26  11.124   2.718   2.520
  166   2HG   ARG  26          1HG       ARG  26   9.411   2.399   2.247
  167   1HD   ARG  26          2HD       ARG  26  10.331   0.265   2.788
  168   2HD   ARG  26          1HD       ARG  26  10.225   0.249   1.017
  169    HE   ARG  26           HE       ARG  26  12.626   0.798   0.932
  170   1HH1  ARG  26          1HH2      ARG  26  12.732  -1.729   2.406
  171   2HH1  ARG  26          2HH2      ARG  26  13.624  -1.326   3.835
  172   1HH2  ARG  26          2HH1      ARG  26  13.161   2.100   3.477
  173   2HH2  ARG  26          1HH1      ARG  26  13.867   0.847   4.444
  174    H    LYS  27           H        LYS  27   9.502   3.030  -2.474
  175    HA   LYS  27           HA       LYS  27  10.678   5.534  -3.271
  176   1HB   LYS  27          2HB       LYS  27   9.563   3.076  -4.514
  177   2HB   LYS  27          1HB       LYS  27   9.623   4.501  -5.551
  178   1HG   LYS  27          2HG       LYS  27  11.767   3.839  -5.937
  179   2HG   LYS  27          1HG       LYS  27  12.088   4.618  -4.387
  180   1HD   LYS  27          2HD       LYS  27  12.959   2.565  -3.866
  181   2HD   LYS  27          1HD       LYS  27  11.272   2.191  -3.510
  182   1HE   LYS  27          2HE       LYS  27  11.016   0.895  -5.408
  183   2HE   LYS  27          1HE       LYS  27  12.177   1.856  -6.344
  184   1HZ   LYS  27          1HZ       LYS  27  12.875   0.070  -4.069
  185   2HZ   LYS  27          2HZ       LYS  27  13.970   0.971  -5.006
  186   3HZ   LYS  27          3HZ       LYS  27  13.100  -0.309  -5.706
  187    H    HIS  28           H        HIS  28   7.351   4.268  -3.589
  188    HA   HIS  28           HA       HIS  28   6.412   6.994  -4.369
  189   1HB   HIS  28          2HB       HIS  28   5.272   4.195  -4.536
  190   2HB   HIS  28          1HB       HIS  28   4.320   5.627  -4.924
  191    HD1  HIS  28           HD1      HIS  28   6.129   7.345  -6.531
  192    HD2  HIS  28           HD2      HIS  28   6.172   3.196  -6.944
  193    HE1  HIS  28           HE1      HIS  28   7.121   6.863  -8.809
  194    H    ALA  29           H        ALA  29   6.522   4.904  -1.630
  195    HA   ALA  29           HA       ALA  29   5.487   4.992   0.484
  196   1HB   ALA  29          1HB       ALA  29   5.372   7.186   1.325
  197   2HB   ALA  29          2HB       ALA  29   4.803   7.843  -0.208
  198   3HB   ALA  29          3HB       ALA  29   6.488   7.354  -0.030
  199    H    TRP  30           H        TRP  30   3.804   3.987  -1.570
  200    HA   TRP  30           HA       TRP  30   1.146   4.829  -0.525
  201   1HB   TRP  30          2HB       TRP  30   0.269   5.089  -2.760
  202   2HB   TRP  30          1HB       TRP  30   1.712   6.079  -2.616
  203    HD1  TRP  30           HD1      TRP  30   3.202   2.862  -2.929
  204    HE1  TRP  30           HE1      TRP  30   3.733   2.253  -5.373
  205    HE3  TRP  30           HE3      TRP  30   0.310   6.297  -5.323
  206    HZ2  TRP  30           HZ2      TRP  30   3.017   3.111  -8.009
  207    HZ3  TRP  30           HZ3      TRP  30   0.245   6.387  -7.803
  208    HH2  TRP  30           HH2      TRP  30   1.595   4.798  -9.147
  209    H    CYS  31           H        CYS  31  -0.539   3.212  -1.809
  210    HA   CYS  31           HA       CYS  31   0.079   0.574  -0.789
  211   1HB   CYS  31          2HB       CYS  31  -2.159   2.041  -1.441
  212   2HB   CYS  31          1HB       CYS  31  -2.106   0.856  -2.745
  213    H    LYS  32           H        LYS  32   1.181  -1.018  -1.821
  214    HA   LYS  32           HA       LYS  32   1.347  -0.965  -4.818
  215   1HB   LYS  32          2HB       LYS  32   3.376  -0.854  -2.713
  216   2HB   LYS  32          1HB       LYS  32   3.661  -2.186  -3.833
  217   1HG   LYS  32          2HG       LYS  32   2.906   0.412  -5.060
  218   2HG   LYS  32          1HG       LYS  32   4.502   0.339  -4.313
  219   1HD   LYS  32          2HD       LYS  32   5.130  -0.524  -6.330
  220   2HD   LYS  32          1HD       LYS  32   4.483  -2.024  -5.668
  221   1HE   LYS  32          2HE       LYS  32   3.346  -1.884  -7.723
  222   2HE   LYS  32          1HE       LYS  32   2.189  -1.101  -6.630
  223   1HZ   LYS  32          1HZ       LYS  32   2.642   0.284  -8.575
  224   2HZ   LYS  32          2HZ       LYS  32   4.298   0.298  -8.196
  225   3HZ   LYS  32          3HZ       LYS  32   3.178   1.038  -7.154
  226    H    TYR  33           H        TYR  33   2.034  -3.211  -5.652
  227    HA   TYR  33           HA       TYR  33   0.481  -5.296  -4.179
  228   1HB   TYR  33          2HB       TYR  33   0.724  -4.429  -6.888
  229   2HB   TYR  33          1HB       TYR  33   1.346  -6.078  -6.805
  230    HD1  TYR  33           HD1      TYR  33  -1.604  -3.982  -6.699
  231    HD2  TYR  33           HD2      TYR  33  -0.081  -7.882  -5.741
  232    HE1  TYR  33           HE1      TYR  33  -3.922  -4.850  -6.547
  233    HE2  TYR  33           HE2      TYR  33  -2.399  -8.751  -5.590
  234    HH   TYR  33           HH       TYR  33  -4.903  -7.220  -5.070
  235    H    GLU  34           H        GLU  34   1.426  -7.345  -3.771
  236    HA   GLU  34           HA       GLU  34   4.314  -7.343  -3.317
  237   1HB   GLU  34          2HB       GLU  34   3.834  -9.524  -2.304
  238   2HB   GLU  34          1HB       GLU  34   2.602  -8.365  -1.810
  239   1HG   GLU  34          2HG       GLU  34   1.851  -9.680  -4.293
  240   2HG   GLU  34          1HG       GLU  34   2.160 -10.860  -3.021
  241    H    ILE  35           H        ILE  35   5.687  -9.199  -4.125
  242    HA   ILE  35           HA       ILE  35   5.413  -9.476  -7.036
  243    HB   ILE  35           HB       ILE  35   7.406 -10.500  -4.983
  244   1HG1  ILE  35          2HG1      ILE  35   8.038  -8.448  -7.063
  245   2HG1  ILE  35          1HG1      ILE  35   7.031  -7.941  -5.707
  246   1HG2  ILE  35          1HG2      ILE  35   7.543 -11.982  -6.866
  247   2HG2  ILE  35          2HG2      ILE  35   8.864 -10.828  -7.046
  248   3HG2  ILE  35          3HG2      ILE  35   7.399 -10.646  -8.009
  249   1HD1  ILE  35          1HD1      ILE  35   9.767  -9.237  -5.517
  250   2HD1  ILE  35          2HD1      ILE  35   8.747  -8.829  -4.137
  251   3HD1  ILE  35          3HD1      ILE  35   9.385  -7.551  -5.171
  252   1HN   NH2  36          1HN       NH2  36   4.427 -12.811  -7.505
  253   2HN   NH2  36          2HN       NH2  36   5.477 -11.528  -8.144
  Start of MODEL   16
    1   1H    GLU   1          1H        GLU   1  12.530   5.504  -2.216
    2   2H    GLU   1          2H        GLU   1  12.921   4.331  -1.051
    3   3H    GLU   1          3H        GLU   1  13.836   5.759  -1.164
    4    HA   GLU   1           HA       GLU   1  12.332   5.884   0.732
    5   1HB   GLU   1          2HB       GLU   1  12.008   7.600  -1.724
    6   2HB   GLU   1          1HB       GLU   1  11.091   7.977  -0.264
    7   1HG   GLU   1          2HG       GLU   1  12.904   8.933   0.660
    8   2HG   GLU   1          1HG       GLU   1  13.813   7.432   0.474
    9    H    CYS   2           H        CYS   2  10.847   4.161   1.091
   10    HA   CYS   2           HA       CYS   2   8.126   4.605   0.003
   11   1HB   CYS   2          2HB       CYS   2   7.996   2.270  -0.799
   12   2HB   CYS   2          1HB       CYS   2   9.279   3.148  -1.625
   13    H    LEU   3           H        LEU   3   6.521   3.161   1.141
   14    HA   LEU   3           HA       LEU   3   7.307   2.819   3.993
   15   1HB   LEU   3          2HB       LEU   3   4.664   2.899   2.503
   16   2HB   LEU   3          1HB       LEU   3   4.798   2.679   4.247
   17    HG   LEU   3           HG       LEU   3   6.076   5.025   2.831
   18   1HD1  LEU   3          1HD1      LEU   3   3.848   5.461   2.313
   19   2HD1  LEU   3          2HD1      LEU   3   3.971   6.207   3.907
   20   3HD1  LEU   3          3HD1      LEU   3   3.244   4.609   3.735
   21   1HD2  LEU   3          1HD2      LEU   3   5.251   4.455   5.697
   22   2HD2  LEU   3          2HD2      LEU   3   5.887   6.001   5.133
   23   3HD2  LEU   3          3HD2      LEU   3   6.900   4.558   5.080
   24    H    GLY   4           H        GLY   4   6.798   0.834   5.125
   25   1HA   GLY   4          2HA       GLY   4   7.118  -1.568   3.473
   26   2HA   GLY   4          1HA       GLY   4   7.076  -1.519   5.235
   27    H    PHE   5           H        PHE   5   5.657  -3.488   4.769
   28    HA   PHE   5           HA       PHE   5   2.977  -3.069   3.701
   29   1HB   PHE   5          2HB       PHE   5   3.980  -5.237   3.532
   30   2HB   PHE   5          1HB       PHE   5   4.396  -5.255   5.245
   31    HD1  PHE   5           HD1      PHE   5   2.890  -6.116   6.854
   32    HD2  PHE   5           HD2      PHE   5   1.495  -5.237   2.887
   33    HE1  PHE   5           HE1      PHE   5   0.722  -7.199   7.375
   34    HE2  PHE   5           HE2      PHE   5  -0.671  -6.320   3.410
   35    HZ   PHE   5           HZ       PHE   5  -1.060  -7.301   5.653
   36    H    GLY   6           H        GLY   6   1.051  -2.809   4.874
   37   1HA   GLY   6          2HA       GLY   6  -0.350  -2.400   6.713
   38   2HA   GLY   6          1HA       GLY   6   0.948  -2.941   7.775
   39    H    LYS   7           H        LYS   7   1.138  -0.323   5.385
   40    HA   LYS   7           HA       LYS   7   1.666   1.591   7.634
   41   1HB   LYS   7          2HB       LYS   7   2.806   1.129   4.897
   42   2HB   LYS   7          1HB       LYS   7   2.812   2.774   5.534
   43   1HG   LYS   7          2HG       LYS   7   3.755   0.583   7.336
   44   2HG   LYS   7          1HG       LYS   7   4.823   1.087   6.026
   45   1HD   LYS   7          2HD       LYS   7   5.432   2.896   7.214
   46   2HD   LYS   7          1HD       LYS   7   3.755   3.445   7.238
   47   1HE   LYS   7          2HE       LYS   7   3.303   2.159   9.259
   48   2HE   LYS   7          1HE       LYS   7   4.922   1.435   9.200
   49   1HZ   LYS   7          1HZ       LYS   7   4.344   4.347   9.398
   50   2HZ   LYS   7          2HZ       LYS   7   5.889   3.641   9.349
   51   3HZ   LYS   7          3HZ       LYS   7   4.867   3.365  10.678
   52    H    GLY   8           H        GLY   8  -0.075   2.933   7.911
   53   1HA   GLY   8          2HA       GLY   8  -2.240   3.226   6.113
   54   2HA   GLY   8          1HA       GLY   8  -1.869   4.359   7.410
   55    H    CYS   9           H        CYS   9  -2.050   4.005   4.070
   56    HA   CYS   9           HA       CYS   9  -0.607   6.594   3.671
   57   1HB   CYS   9          2HB       CYS   9   0.874   5.621   2.244
   58   2HB   CYS   9          1HB       CYS   9   0.371   4.102   2.973
   59    H    ASN  10           H        ASN  10  -1.136   7.171   1.114
   60    HA   ASN  10           HA       ASN  10  -4.084   7.396   1.042
   61   1HB   ASN  10          2HB       ASN  10  -1.728   8.595  -0.412
   62   2HB   ASN  10          1HB       ASN  10  -3.364   8.829  -1.024
   63   1HD2  ASN  10          1HD2      ASN  10  -2.607  11.204  -0.405
   64   2HD2  ASN  10          2HD2      ASN  10  -3.000  11.710   1.167
   65    HA   PRO  11           HA       PRO  11  -4.438   4.006  -1.816
   66   1HB   PRO  11          2HB       PRO  11  -7.031   4.462  -2.576
   67   2HB   PRO  11          1HB       PRO  11  -6.593   3.728  -1.019
   68   1HG   PRO  11          2HG       PRO  11  -7.366   6.538  -1.635
   69   2HG   PRO  11          1HG       PRO  11  -7.804   5.524  -0.250
   70   1HD   PRO  11          2HD       PRO  11  -5.890   7.447  -0.127
   71   2HD   PRO  11          1HD       PRO  11  -5.853   5.975   0.869
   72    H    SER  12           H        SER  12  -5.562   7.276  -2.728
   73    HA   SER  12           HA       SER  12  -5.485   6.847  -5.584
   74   1HB   SER  12          2HB       SER  12  -6.734   8.632  -4.318
   75   2HB   SER  12          1HB       SER  12  -5.188   9.406  -3.978
   76    HG   SER  12           HG       SER  12  -6.639   9.232  -6.338
   77    H    ASN  13           H        ASN  13  -3.175   8.243  -3.255
   78    HA   ASN  13           HA       ASN  13  -1.053   8.122  -5.374
   79   1HB   ASN  13          2HB       ASN  13  -1.806  10.353  -4.349
   80   2HB   ASN  13          1HB       ASN  13  -1.076   9.793  -2.844
   81   1HD2  ASN  13          1HD2      ASN  13   1.074  10.421  -2.603
   82   2HD2  ASN  13          2HD2      ASN  13   2.146  10.742  -3.880
   83    H    ASP  14           H        ASP  14  -1.124   5.726  -4.539
   84    HA   ASP  14           HA       ASP  14   0.009   5.194  -1.898
   85   1HB   ASP  14          2HB       ASP  14  -1.493   3.595  -2.856
   86   2HB   ASP  14          1HB       ASP  14  -0.603   3.566  -4.377
   87    H    GLN  15           H        GLN  15   2.146   5.441  -1.443
   88    HA   GLN  15           HA       GLN  15   4.139   5.068  -3.658
   89   1HB   GLN  15          2HB       GLN  15   3.837   7.017  -1.396
   90   2HB   GLN  15          1HB       GLN  15   5.464   6.621  -1.950
   91   1HG   GLN  15          2HG       GLN  15   3.459   7.225  -4.064
   92   2HG   GLN  15          1HG       GLN  15   3.985   8.584  -3.070
   93   1HE2  GLN  15          1HE2      GLN  15   5.230   5.983  -5.209
   94   2HE2  GLN  15          2HE2      GLN  15   6.682   6.776  -5.583
   95    H    CYS  16           H        CYS  16   3.138   2.893  -2.028
   96    HA   CYS  16           HA       CYS  16   4.902   2.311   0.193
   97   1HB   CYS  16          2HB       CYS  16   2.548   1.358  -0.757
   98   2HB   CYS  16          1HB       CYS  16   3.641   0.124  -1.384
   99    H    CYS  17           H        CYS  17   6.298   0.197   0.061
  100    HA   CYS  17           HA       CYS  17   8.406   0.600  -1.873
  101   1HB   CYS  17          2HB       CYS  17   7.727  -1.667   0.030
  102   2HB   CYS  17          1HB       CYS  17   9.258  -1.527  -0.833
  103    H    LYS  18           H        LYS  18   8.245   0.039  -3.994
  104    HA   LYS  18           HA       LYS  18   6.223  -1.784  -5.009
  105   1HB   LYS  18          2HB       LYS  18   8.661  -0.453  -6.231
  106   2HB   LYS  18          1HB       LYS  18   7.444  -1.325  -7.162
  107   1HG   LYS  18          2HG       LYS  18   6.855   1.050  -5.368
  108   2HG   LYS  18          1HG       LYS  18   7.039   1.141  -7.119
  109   1HD   LYS  18          2HD       LYS  18   5.223  -0.888  -6.900
  110   2HD   LYS  18          1HD       LYS  18   4.780   0.110  -5.514
  111   1HE   LYS  18          2HE       LYS  18   5.129   2.024  -7.455
  112   2HE   LYS  18          1HE       LYS  18   4.471   0.672  -8.397
  113   1HZ   LYS  18          1HZ       LYS  18   2.664   1.923  -7.439
  114   2HZ   LYS  18          2HZ       LYS  18   3.337   1.791  -5.885
  115   3HZ   LYS  18          3HZ       LYS  18   2.748   0.409  -6.680
  116    H    SER  19           H        SER  19   9.433  -2.254  -3.781
  117    HA   SER  19           HA       SER  19  10.363  -4.468  -5.288
  118   1HB   SER  19          2HB       SER  19  11.636  -4.950  -3.177
  119   2HB   SER  19          1HB       SER  19  11.711  -3.259  -3.661
  120    HG   SER  19           HG       SER  19  11.201  -3.714  -1.385
  121    H    SER  20           H        SER  20   8.109  -4.376  -2.517
  122    HA   SER  20           HA       SER  20   7.725  -7.329  -2.735
  123   1HB   SER  20          2HB       SER  20   8.181  -5.816  -0.591
  124   2HB   SER  20          1HB       SER  20   6.437  -5.588  -0.663
  125    HG   SER  20           HG       SER  20   6.139  -7.660  -0.214
  126    H    ASN  21           H        ASN  21   6.488  -4.900  -4.417
  127    HA   ASN  21           HA       ASN  21   4.413  -4.401  -5.417
  128   1HB   ASN  21          2HB       ASN  21   4.103  -7.350  -4.754
  129   2HB   ASN  21          1HB       ASN  21   3.129  -6.470  -5.932
  130   1HD2  ASN  21          1HD2      ASN  21   4.413  -5.430  -7.793
  131   2HD2  ASN  21          2HD2      ASN  21   5.816  -6.223  -8.325
  132    H    LEU  22           H        LEU  22   3.944  -3.085  -3.378
  133    HA   LEU  22           HA       LEU  22   1.668  -4.285  -1.826
  134   1HB   LEU  22          2HB       LEU  22   3.918  -2.395  -1.126
  135   2HB   LEU  22          1HB       LEU  22   2.473  -2.503  -0.120
  136    HG   LEU  22           HG       LEU  22   4.039  -4.964  -0.909
  137   1HD1  LEU  22          1HD1      LEU  22   4.429  -3.191   1.523
  138   2HD1  LEU  22          2HD1      LEU  22   5.603  -3.465   0.235
  139   3HD1  LEU  22          3HD1      LEU  22   5.151  -4.787   1.312
  140   1HD2  LEU  22          1HD2      LEU  22   2.967  -5.789   1.226
  141   2HD2  LEU  22          2HD2      LEU  22   1.815  -5.391  -0.048
  142   3HD2  LEU  22          3HD2      LEU  22   2.069  -4.273   1.293
  143    H    VAL  23           H        VAL  23  -0.257  -3.187  -1.924
  144    HA   VAL  23           HA       VAL  23  -0.261  -0.442  -3.146
  145    HB   VAL  23           HB       VAL  23  -2.493  -1.150  -4.085
  146   1HG1  VAL  23          1HG1      VAL  23  -0.198  -2.982  -4.840
  147   2HG1  VAL  23          2HG1      VAL  23  -0.354  -1.308  -5.375
  148   3HG1  VAL  23          3HG1      VAL  23  -1.551  -2.506  -5.867
  149   1HG2  VAL  23          1HG2      VAL  23  -3.171  -3.456  -3.997
  150   2HG2  VAL  23          2HG2      VAL  23  -2.821  -2.977  -2.337
  151   3HG2  VAL  23          3HG2      VAL  23  -1.653  -3.939  -3.242
  152    H    CYS  24           H        CYS  24  -1.748   1.060  -2.205
  153    HA   CYS  24           HA       CYS  24  -2.418   0.544   0.594
  154   1HB   CYS  24          2HB       CYS  24  -1.933   2.753  -1.107
  155   2HB   CYS  24          1HB       CYS  24  -3.582   2.946  -0.512
  156    H    SER  25           H        SER  25  -4.367  -0.145   1.363
  157    HA   SER  25           HA       SER  25  -6.522  -0.849  -0.496
  158   1HB   SER  25          2HB       SER  25  -5.591  -2.009   1.678
  159   2HB   SER  25          1HB       SER  25  -6.689  -0.910   2.509
  160    HG   SER  25           HG       SER  25  -7.259  -3.191   1.306
  161    H    ARG  26           H        ARG  26  -8.814  -0.169   0.007
  162    HA   ARG  26           HA       ARG  26  -8.934   2.760   0.463
  163   1HB   ARG  26          2HB       ARG  26 -10.871   0.645  -0.525
  164   2HB   ARG  26          1HB       ARG  26 -11.312   2.343  -0.349
  165   1HG   ARG  26          2HG       ARG  26  -9.248   2.848  -1.811
  166   2HG   ARG  26          1HG       ARG  26  -9.262   1.129  -2.206
  167   1HD   ARG  26          2HD       ARG  26 -11.751   2.830  -2.499
  168   2HD   ARG  26          1HD       ARG  26 -10.565   2.672  -3.809
  169    HE   ARG  26           HE       ARG  26 -10.904   0.165  -3.603
  170   1HH1  ARG  26          2HH1      ARG  26 -13.356   1.468  -4.781
  171   2HH1  ARG  26          1HH1      ARG  26 -14.623   0.770  -3.829
  172   1HH2  ARG  26          1HH2      ARG  26 -12.486  -0.347  -1.327
  173   2HH2  ARG  26          2HH2      ARG  26 -14.128  -0.259  -1.869
  174    H    LYS  27           H        LYS  27 -10.589  -0.188   1.683
  175    HA   LYS  27           HA       LYS  27 -11.987   1.197   3.811
  176   1HB   LYS  27          2HB       LYS  27 -11.536  -1.563   2.826
  177   2HB   LYS  27          1HB       LYS  27 -11.919  -1.435   4.542
  178   1HG   LYS  27          2HG       LYS  27 -14.088  -1.245   3.961
  179   2HG   LYS  27          1HG       LYS  27 -13.699   0.330   3.271
  180   1HD   LYS  27          2HD       LYS  27 -12.871  -1.186   1.231
  181   2HD   LYS  27          1HD       LYS  27 -14.058  -2.302   1.905
  182   1HE   LYS  27          2HE       LYS  27 -14.893   0.556   1.579
  183   2HE   LYS  27          1HE       LYS  27 -14.783  -0.447   0.120
  184   1HZ   LYS  27          1HZ       LYS  27 -16.235  -1.190   2.609
  185   2HZ   LYS  27          2HZ       LYS  27 -16.133  -2.130   1.196
  186   3HZ   LYS  27          3HZ       LYS  27 -16.966  -0.650   1.177
  187    H    HIS  28           H        HIS  28  -8.880  -0.492   3.587
  188    HA   HIS  28           HA       HIS  28  -8.396  -0.205   6.503
  189   1HB   HIS  28          2HB       HIS  28  -6.773  -1.395   4.227
  190   2HB   HIS  28          1HB       HIS  28  -6.359  -1.517   5.936
  191    HD1  HIS  28           HD1      HIS  28  -8.587  -2.952   3.334
  192    HD2  HIS  28           HD2      HIS  28  -8.198  -3.152   7.479
  193    HE1  HIS  28           HE1      HIS  28 -10.003  -4.909   4.093
  194    H    ALA  29           H        ALA  29  -7.552   1.341   3.472
  195    HA   ALA  29           HA       ALA  29  -6.238   3.230   2.979
  196   1HB   ALA  29          1HB       ALA  29  -6.376   3.878   5.916
  197   2HB   ALA  29          2HB       ALA  29  -7.850   3.875   4.948
  198   3HB   ALA  29          3HB       ALA  29  -6.527   4.965   4.535
  199    H    TRP  30           H        TRP  30  -4.745   0.829   3.552
  200    HA   TRP  30           HA       TRP  30  -2.193   2.063   4.418
  201   1HB   TRP  30          2HB       TRP  30  -1.843   0.552   6.216
  202   2HB   TRP  30          1HB       TRP  30  -3.511   1.077   6.394
  203    HD1  TRP  30           HD1      TRP  30  -4.414  -0.958   3.870
  204    HE1  TRP  30           HE1      TRP  30  -4.762  -3.435   4.477
  205    HE3  TRP  30           HE3      TRP  30  -1.829  -1.145   8.257
  206    HZ2  TRP  30           HZ2      TRP  30  -4.039  -5.259   6.557
  207    HZ3  TRP  30           HZ3      TRP  30  -1.675  -3.262   9.536
  208    HH2  TRP  30           HH2      TRP  30  -2.776  -5.318   8.693
  209    H    CYS  31           H        CYS  31  -0.345   0.386   4.094
  210    HA   CYS  31           HA       CYS  31  -0.474  -0.634   1.396
  211   1HB   CYS  31          2HB       CYS  31   1.457  -0.833   3.706
  212   2HB   CYS  31          1HB       CYS  31   1.765  -1.683   2.195
  213    H    LYS  32           H        LYS  32  -1.543  -2.465   0.819
  214    HA   LYS  32           HA       LYS  32  -1.484  -4.815   2.680
  215   1HB   LYS  32          2HB       LYS  32  -3.652  -3.338   2.357
  216   2HB   LYS  32          1HB       LYS  32  -3.791  -4.231   0.843
  217   1HG   LYS  32          2HG       LYS  32  -3.336  -6.317   2.428
  218   2HG   LYS  32          1HG       LYS  32  -3.981  -5.230   3.659
  219   1HD   LYS  32          2HD       LYS  32  -6.072  -5.080   2.623
  220   2HD   LYS  32          1HD       LYS  32  -5.436  -5.554   1.049
  221   1HE   LYS  32          2HE       LYS  32  -5.258  -7.530   3.306
  222   2HE   LYS  32          1HE       LYS  32  -6.817  -7.301   2.490
  223   1HZ   LYS  32          1HZ       LYS  32  -4.228  -7.823   1.119
  224   2HZ   LYS  32          2HZ       LYS  32  -5.739  -7.638   0.365
  225   3HZ   LYS  32          3HZ       LYS  32  -5.446  -8.977   1.367
  226    H    TYR  33           H        TYR  33  -1.394  -6.874   1.601
  227    HA   TYR  33           HA       TYR  33  -0.051  -6.838  -0.996
  228   1HB   TYR  33          2HB       TYR  33  -0.357  -8.554   1.263
  229   2HB   TYR  33          1HB       TYR  33  -0.908  -9.453  -0.149
  230    HD1  TYR  33           HD1      TYR  33   0.618  -9.447  -2.240
  231    HD2  TYR  33           HD2      TYR  33   1.943  -8.283   1.679
  232    HE1  TYR  33           HE1      TYR  33   2.973  -9.815  -2.926
  233    HE2  TYR  33           HE2      TYR  33   4.297  -8.651   0.992
  234    HH   TYR  33           HH       TYR  33   5.282 -10.402  -1.325
  235    H    GLU  34           H        GLU  34  -0.859  -7.860  -2.928
  236    HA   GLU  34           HA       GLU  34  -3.765  -7.560  -3.314
  237   1HB   GLU  34          2HB       GLU  34  -1.748  -6.900  -4.854
  238   2HB   GLU  34          1HB       GLU  34  -1.767  -8.600  -5.324
  239   1HG   GLU  34          2HG       GLU  34  -3.323  -7.957  -6.848
  240   2HG   GLU  34          1HG       GLU  34  -4.434  -7.941  -5.478
  241    H    ILE  35           H        ILE  35  -4.090  -9.440  -1.693
  242    HA   ILE  35           HA       ILE  35  -4.733 -11.661  -1.277
  243    HB   ILE  35           HB       ILE  35  -4.793 -11.701  -4.316
  244   1HG1  ILE  35          2HG1      ILE  35  -7.104 -11.099  -2.458
  245   2HG1  ILE  35          1HG1      ILE  35  -6.060  -9.819  -3.074
  246   1HG2  ILE  35          1HG2      ILE  35  -5.156 -13.809  -2.583
  247   2HG2  ILE  35          2HG2      ILE  35  -5.880 -13.695  -4.187
  248   3HG2  ILE  35          3HG2      ILE  35  -6.803 -13.205  -2.767
  249   1HD1  ILE  35          1HD1      ILE  35  -7.788 -11.720  -4.670
  250   2HD1  ILE  35          2HD1      ILE  35  -6.529 -10.730  -5.409
  251   3HD1  ILE  35          3HD1      ILE  35  -7.895  -9.961  -4.601
  252   1HN   NH2  36          1HN       NH2  36  -1.729 -13.433  -1.150
  253   2HN   NH2  36          2HN       NH2  36  -3.261 -12.935  -0.400
  Start of MODEL   17
    1   1H    GLU   1          1H        GLU   1 -12.952   7.709   0.899
    2   2H    GLU   1          2H        GLU   1 -12.517   9.266   0.381
    3   3H    GLU   1          3H        GLU   1 -11.559   8.449   1.522
    4    HA   GLU   1           HA       GLU   1 -11.992   7.434  -1.239
    5   1HB   GLU   1          2HB       GLU   1  -9.938   8.569  -1.833
    6   2HB   GLU   1          1HB       GLU   1 -11.004   9.760  -1.091
    7   1HG   GLU   1          2HG       GLU   1  -9.301  10.235   0.316
    8   2HG   GLU   1          1HG       GLU   1  -9.609   8.673   1.072
    9    H    CYS   2           H        CYS   2 -10.112   5.960  -1.780
   10    HA   CYS   2           HA       CYS   2  -8.621   4.799   0.489
   11   1HB   CYS   2          2HB       CYS   2 -10.932   3.804   0.526
   12   2HB   CYS   2          1HB       CYS   2 -10.643   3.178  -1.097
   13    H    LEU   3           H        LEU   3  -6.840   3.531  -0.249
   14    HA   LEU   3           HA       LEU   3  -6.150   3.916  -3.110
   15   1HB   LEU   3          2HB       LEU   3  -4.611   2.863  -0.712
   16   2HB   LEU   3          1HB       LEU   3  -3.910   3.187  -2.296
   17    HG   LEU   3           HG       LEU   3  -5.440   5.363  -0.896
   18   1HD1  LEU   3          1HD1      LEU   3  -3.863   4.516   0.792
   19   2HD1  LEU   3          2HD1      LEU   3  -3.339   6.089   0.193
   20   3HD1  LEU   3          3HD1      LEU   3  -2.545   4.621  -0.374
   21   1HD2  LEU   3          1HD2      LEU   3  -4.239   5.223  -3.332
   22   2HD2  LEU   3          2HD2      LEU   3  -2.894   5.819  -2.358
   23   3HD2  LEU   3          3HD2      LEU   3  -4.406   6.724  -2.421
   24    H    GLY   4           H        GLY   4  -5.634   2.154  -4.503
   25   1HA   GLY   4          2HA       GLY   4  -6.816  -0.452  -3.676
   26   2HA   GLY   4          1HA       GLY   4  -6.567   0.071  -5.341
   27    H    PHE   5           H        PHE   5  -5.325  -1.705  -5.983
   28    HA   PHE   5           HA       PHE   5  -2.923  -2.485  -4.449
   29   1HB   PHE   5          2HB       PHE   5  -4.093  -4.308  -5.344
   30   2HB   PHE   5          1HB       PHE   5  -4.478  -3.455  -6.836
   31    HD1  PHE   5           HD1      PHE   5  -1.490  -4.698  -4.916
   32    HD2  PHE   5           HD2      PHE   5  -3.262  -3.960  -8.760
   33    HE1  PHE   5           HE1      PHE   5   0.479  -5.722  -6.023
   34    HE2  PHE   5           HE2      PHE   5  -1.294  -4.985  -9.865
   35    HZ   PHE   5           HZ       PHE   5   0.577  -5.866  -8.496
   36    H    GLY   6           H        GLY   6  -0.884  -1.772  -4.924
   37   1HA   GLY   6          2HA       GLY   6   0.914  -0.845  -6.104
   38   2HA   GLY   6          1HA       GLY   6  -0.027  -1.032  -7.582
   39    H    LYS   7           H        LYS   7  -0.506   0.907  -4.599
   40    HA   LYS   7           HA       LYS   7  -0.726   3.333  -6.354
   41   1HB   LYS   7          2HB       LYS   7  -2.418   2.300  -4.082
   42   2HB   LYS   7          1HB       LYS   7  -2.387   4.025  -4.448
   43   1HG   LYS   7          2HG       LYS   7  -3.033   1.853  -6.466
   44   2HG   LYS   7          1HG       LYS   7  -4.237   2.824  -5.621
   45   1HD   LYS   7          2HD       LYS   7  -2.634   4.794  -6.589
   46   2HD   LYS   7          1HD       LYS   7  -2.431   3.576  -7.849
   47   1HE   LYS   7          2HE       LYS   7  -4.755   3.537  -8.348
   48   2HE   LYS   7          1HE       LYS   7  -5.175   4.357  -6.831
   49   1HZ   LYS   7          1HZ       LYS   7  -5.130   5.854  -8.802
   50   2HZ   LYS   7          2HZ       LYS   7  -3.464   5.560  -8.942
   51   3HZ   LYS   7          3HZ       LYS   7  -4.080   6.329  -7.558
   52    H    GLY   8           H        GLY   8   0.711   4.907  -5.786
   53   1HA   GLY   8          2HA       GLY   8   2.674   4.652  -3.795
   54   2HA   GLY   8          1HA       GLY   8   2.203   6.190  -4.513
   55    H    CYS   9           H        CYS   9   2.664   4.908  -1.623
   56    HA   CYS   9           HA       CYS   9   0.662   6.674  -0.321
   57   1HB   CYS   9          2HB       CYS   9   0.163   4.676   1.246
   58   2HB   CYS   9          1HB       CYS   9  -0.554   4.632  -0.362
   59    H    ASN  10           H        ASN  10   1.110   6.355   2.247
   60    HA   ASN  10           HA       ASN  10   4.042   6.778   2.576
   61   1HB   ASN  10          2HB       ASN  10   1.513   7.679   3.854
   62   2HB   ASN  10          1HB       ASN  10   2.892   7.484   4.935
   63   1HD2  ASN  10          1HD2      ASN  10   1.642   9.355   2.208
   64   2HD2  ASN  10          2HD2      ASN  10   2.875  10.522   2.213
   65    HA   PRO  11           HA       PRO  11   4.370   2.823   4.543
   66   1HB   PRO  11          2HB       PRO  11   6.782   3.214   5.785
   67   2HB   PRO  11          1HB       PRO  11   6.625   2.897   4.046
   68   1HG   PRO  11          2HG       PRO  11   7.052   5.476   5.470
   69   2HG   PRO  11          1HG       PRO  11   7.738   4.903   3.941
   70   1HD   PRO  11          2HD       PRO  11   5.678   6.678   4.088
   71   2HD   PRO  11          1HD       PRO  11   5.914   5.563   2.723
   72    H    SER  12           H        SER  12   5.060   5.768   6.456
   73    HA   SER  12           HA       SER  12   4.545   4.502   9.031
   74   1HB   SER  12          2HB       SER  12   4.746   6.832   9.827
   75   2HB   SER  12          1HB       SER  12   6.028   6.457   8.678
   76    HG   SER  12           HG       SER  12   5.065   7.692   7.187
   77    H    ASN  13           H        ASN  13   2.635   6.342   6.689
   78    HA   ASN  13           HA       ASN  13   0.189   5.787   8.331
   79   1HB   ASN  13          2HB       ASN  13   1.358   8.303   7.314
   80   2HB   ASN  13          1HB       ASN  13  -0.364   8.121   6.977
   81   1HD2  ASN  13          1HD2      ASN  13  -1.842   8.184   8.772
   82   2HD2  ASN  13          2HD2      ASN  13  -1.338   8.514  10.359
   83    H    ASP  14           H        ASP  14   0.221   3.875   6.770
   84    HA   ASP  14           HA       ASP  14  -0.434   4.502   3.956
   85   1HB   ASP  14          2HB       ASP  14  -0.269   2.089   3.684
   86   2HB   ASP  14          1HB       ASP  14   1.074   2.626   4.688
   87    H    GLN  15           H        GLN  15  -2.510   4.543   3.158
   88    HA   GLN  15           HA       GLN  15  -4.712   3.587   4.963
   89   1HB   GLN  15          2HB       GLN  15  -4.515   6.008   3.139
   90   2HB   GLN  15          1HB       GLN  15  -6.005   5.504   3.935
   91   1HG   GLN  15          2HG       GLN  15  -5.360   6.694   5.736
   92   2HG   GLN  15          1HG       GLN  15  -4.064   5.523   5.970
   93   1HE2  GLN  15          1HE2      GLN  15  -4.050   8.532   6.398
   94   2HE2  GLN  15          2HE2      GLN  15  -2.760   9.099   5.452
   95    H    CYS  16           H        CYS  16  -3.741   1.722   3.236
   96    HA   CYS  16           HA       CYS  16  -5.068   1.815   0.619
   97   1HB   CYS  16          2HB       CYS  16  -3.293  -0.012   2.186
   98   2HB   CYS  16          1HB       CYS  16  -4.240  -0.727   0.882
   99    H    CYS  17           H        CYS  17  -6.678   0.134  -0.016
  100    HA   CYS  17           HA       CYS  17  -8.879  -0.054   1.845
  101   1HB   CYS  17          2HB       CYS  17  -8.175  -0.933  -0.908
  102   2HB   CYS  17          1HB       CYS  17  -9.464  -1.840  -0.116
  103    H    LYS  18           H        LYS  18  -9.157  -1.557   3.443
  104    HA   LYS  18           HA       LYS  18  -7.266  -3.705   3.904
  105   1HB   LYS  18          2HB       LYS  18  -9.904  -2.805   5.070
  106   2HB   LYS  18          1HB       LYS  18  -9.115  -4.271   5.653
  107   1HG   LYS  18          2HG       LYS  18  -7.279  -1.994   5.428
  108   2HG   LYS  18          1HG       LYS  18  -8.599  -1.709   6.564
  109   1HD   LYS  18          2HD       LYS  18  -7.997  -4.171   7.359
  110   2HD   LYS  18          1HD       LYS  18  -6.429  -3.769   6.657
  111   1HE   LYS  18          2HE       LYS  18  -5.987  -2.131   8.236
  112   2HE   LYS  18          1HE       LYS  18  -7.704  -1.745   8.466
  113   1HZ   LYS  18          1HZ       LYS  18  -6.247  -4.149   9.422
  114   2HZ   LYS  18          2HZ       LYS  18  -7.943  -4.039   9.413
  115   3HZ   LYS  18          3HZ       LYS  18  -7.024  -2.972  10.363
  116    H    SER  19           H        SER  19 -10.310  -3.506   2.161
  117    HA   SER  19           HA       SER  19 -11.228  -6.176   2.236
  118   1HB   SER  19          2HB       SER  19 -12.266  -4.116   1.179
  119   2HB   SER  19          1HB       SER  19 -11.158  -4.332  -0.171
  120    HG   SER  19           HG       SER  19 -12.415  -5.850  -0.882
  121    H    SER  20           H        SER  20  -8.741  -4.712   0.118
  122    HA   SER  20           HA       SER  20  -8.178  -7.280  -1.216
  123   1HB   SER  20          2HB       SER  20  -7.649  -4.439  -1.560
  124   2HB   SER  20          1HB       SER  20  -6.184  -5.386  -1.799
  125    HG   SER  20           HG       SER  20  -7.059  -6.332  -3.497
  126    H    ASN  21           H        ASN  21  -7.163  -5.732   1.680
  127    HA   ASN  21           HA       ASN  21  -5.487  -6.239   3.245
  128   1HB   ASN  21          2HB       ASN  21  -6.507  -8.551   2.378
  129   2HB   ASN  21          1HB       ASN  21  -4.881  -8.754   1.730
  130   1HD2  ASN  21          1HD2      ASN  21  -4.910 -10.595   3.452
  131   2HD2  ASN  21          2HD2      ASN  21  -4.426 -10.180   5.025
  132    H    LEU  22           H        LEU  22  -4.381  -4.409   1.941
  133    HA   LEU  22           HA       LEU  22  -1.806  -5.452   0.791
  134   1HB   LEU  22          2HB       LEU  22  -3.538  -3.106  -0.049
  135   2HB   LEU  22          1HB       LEU  22  -1.932  -3.427  -0.702
  136    HG   LEU  22           HG       LEU  22  -4.163  -5.473  -0.775
  137   1HD1  LEU  22          1HD1      LEU  22  -4.648  -4.780  -3.028
  138   2HD1  LEU  22          2HD1      LEU  22  -3.310  -3.632  -3.022
  139   3HD1  LEU  22          3HD1      LEU  22  -4.727  -3.339  -2.015
  140   1HD2  LEU  22          1HD2      LEU  22  -1.634  -6.044  -1.040
  141   2HD2  LEU  22          2HD2      LEU  22  -1.773  -5.242  -2.604
  142   3HD2  LEU  22          3HD2      LEU  22  -2.756  -6.663  -2.252
  143    H    VAL  23           H        VAL  23   0.052  -4.050   1.169
  144    HA   VAL  23           HA       VAL  23  -0.326  -2.015   3.340
  145    HB   VAL  23           HB       VAL  23   1.802  -2.975   4.323
  146   1HG1  VAL  23          1HG1      VAL  23   0.670  -4.769   5.449
  147   2HG1  VAL  23          2HG1      VAL  23  -0.435  -5.003   4.094
  148   3HG1  VAL  23          3HG1      VAL  23  -0.547  -3.547   5.083
  149   1HG2  VAL  23          1HG2      VAL  23   1.222  -5.320   2.488
  150   2HG2  VAL  23          2HG2      VAL  23   2.581  -5.136   3.596
  151   3HG2  VAL  23          3HG2      VAL  23   2.476  -4.125   2.155
  152    H    CYS  24           H        CYS  24   1.200  -0.288   3.304
  153    HA   CYS  24           HA       CYS  24   2.305   0.357   0.683
  154   1HB   CYS  24          2HB       CYS  24   1.294   1.825   2.630
  155   2HB   CYS  24          1HB       CYS  24   2.951   1.816   3.231
  156    H    SER  25           H        SER  25   4.305  -0.255  -0.026
  157    HA   SER  25           HA       SER  25   6.261  -1.422   1.872
  158   1HB   SER  25          2HB       SER  25   5.510  -1.670  -0.903
  159   2HB   SER  25          1HB       SER  25   7.234  -1.327  -0.797
  160    HG   SER  25           HG       SER  25   5.902  -3.590  -0.217
  161    H    ARG  26           H        ARG  26   8.551  -0.712   1.774
  162    HA   ARG  26           HA       ARG  26   8.761   2.246   1.551
  163   1HB   ARG  26          2HB       ARG  26  10.785   1.914   2.890
  164   2HB   ARG  26          1HB       ARG  26   9.456   1.005   3.606
  165   1HG   ARG  26          2HG       ARG  26  10.295  -1.063   2.839
  166   2HG   ARG  26          1HG       ARG  26  11.330  -0.299   1.633
  167   1HD   ARG  26          2HD       ARG  26  12.111   0.757   4.162
  168   2HD   ARG  26          1HD       ARG  26  11.996  -1.005   4.339
  169    HE   ARG  26           HE       ARG  26  13.666  -1.259   2.632
  170   1HH1  ARG  26          1HH2      ARG  26  14.839   1.128   4.088
  171   2HH1  ARG  26          2HH2      ARG  26  15.200   2.194   2.772
  172   1HH2  ARG  26          2HH1      ARG  26  13.199   0.491   0.497
  173   2HH2  ARG  26          1HH1      ARG  26  14.269   1.833   0.734
  174    H    LYS  27           H        LYS  27   9.828  -0.656  -0.102
  175    HA   LYS  27           HA       LYS  27  12.134   0.454  -1.444
  176   1HB   LYS  27          2HB       LYS  27  11.415  -1.992  -1.083
  177   2HB   LYS  27          1HB       LYS  27  10.312  -1.748  -2.438
  178   1HG   LYS  27          2HG       LYS  27  12.670  -0.727  -3.429
  179   2HG   LYS  27          1HG       LYS  27  13.239  -2.070  -2.438
  180   1HD   LYS  27          2HD       LYS  27  11.007  -2.334  -4.470
  181   2HD   LYS  27          1HD       LYS  27  12.696  -2.684  -4.835
  182   1HE   LYS  27          2HE       LYS  27  12.754  -4.419  -3.102
  183   2HE   LYS  27          1HE       LYS  27  11.086  -4.033  -2.634
  184   1HZ   LYS  27          1HZ       LYS  27  12.005  -4.990  -5.295
  185   2HZ   LYS  27          2HZ       LYS  27  10.422  -4.472  -4.957
  186   3HZ   LYS  27          3HZ       LYS  27  11.051  -5.850  -4.189
  187    H    HIS  28           H        HIS  28   8.737   0.002  -2.444
  188    HA   HIS  28           HA       HIS  28   9.230   1.772  -4.804
  189   1HB   HIS  28          2HB       HIS  28   7.556  -0.565  -4.156
  190   2HB   HIS  28          1HB       HIS  28   6.700   0.698  -5.041
  191    HD1  HIS  28           HD1      HIS  28   8.173   1.642  -7.217
  192    HD2  HIS  28           HD2      HIS  28   9.009  -2.203  -5.839
  193    HE1  HIS  28           HE1      HIS  28   9.401   0.461  -9.090
  194    H    ALA  29           H        ALA  29   7.968   1.912  -1.651
  195    HA   ALA  29           HA       ALA  29   6.644   3.496  -0.521
  196   1HB   ALA  29          1HB       ALA  29   7.011   5.705  -1.268
  197   2HB   ALA  29          2HB       ALA  29   7.027   5.226  -2.965
  198   3HB   ALA  29          3HB       ALA  29   8.392   4.825  -1.922
  199    H    TRP  30           H        TRP  30   5.172   1.571  -1.999
  200    HA   TRP  30           HA       TRP  30   2.697   3.109  -2.528
  201   1HB   TRP  30          2HB       TRP  30   2.446   2.321  -4.757
  202   2HB   TRP  30          1HB       TRP  30   4.127   2.824  -4.650
  203    HD1  TRP  30           HD1      TRP  30   4.980   0.087  -2.989
  204    HE1  TRP  30           HE1      TRP  30   5.294  -2.062  -4.363
  205    HE3  TRP  30           HE3      TRP  30   2.352   1.336  -7.177
  206    HZ2  TRP  30           HZ2      TRP  30   4.528  -3.122  -6.906
  207    HZ3  TRP  30           HZ3      TRP  30   2.161  -0.260  -9.062
  208    HH2  TRP  30           HH2      TRP  30   3.244  -2.487  -8.933
  209    H    CYS  31           H        CYS  31   0.871   1.377  -3.078
  210    HA   CYS  31           HA       CYS  31   0.761  -0.451  -0.828
  211   1HB   CYS  31          2HB       CYS  31  -1.043   0.898  -2.305
  212   2HB   CYS  31          1HB       CYS  31  -1.136  -0.664  -3.119
  213    H    LYS  32           H        LYS  32   2.021  -2.265  -0.882
  214    HA   LYS  32           HA       LYS  32   2.106  -3.879  -3.412
  215   1HB   LYS  32          2HB       LYS  32   4.256  -2.926  -2.613
  216   2HB   LYS  32          1HB       LYS  32   4.020  -3.716  -1.054
  217   1HG   LYS  32          2HG       LYS  32   4.872  -5.642  -1.848
  218   2HG   LYS  32          1HG       LYS  32   3.705  -5.652  -3.168
  219   1HD   LYS  32          2HD       LYS  32   5.793  -5.584  -4.266
  220   2HD   LYS  32          1HD       LYS  32   5.251  -3.907  -4.290
  221   1HE   LYS  32          2HE       LYS  32   6.904  -3.220  -2.852
  222   2HE   LYS  32          1HE       LYS  32   6.821  -4.711  -1.893
  223   1HZ   LYS  32          1HZ       LYS  32   8.867  -4.491  -3.293
  224   2HZ   LYS  32          2HZ       LYS  32   7.878  -4.609  -4.668
  225   3HZ   LYS  32          3HZ       LYS  32   7.973  -5.905  -3.572
  226    H    TYR  33           H        TYR  33   1.881  -6.208  -3.141
  227    HA   TYR  33           HA       TYR  33  -0.120  -7.105  -1.345
  228   1HB   TYR  33          2HB       TYR  33   1.791  -8.206  -3.283
  229   2HB   TYR  33          1HB       TYR  33   1.403  -9.342  -1.992
  230    HD1  TYR  33           HD1      TYR  33  -0.258  -6.942  -4.347
  231    HD2  TYR  33           HD2      TYR  33  -0.558 -10.616  -2.141
  232    HE1  TYR  33           HE1      TYR  33  -2.446  -7.405  -5.416
  233    HE2  TYR  33           HE2      TYR  33  -2.748 -11.079  -3.210
  234    HH   TYR  33           HH       TYR  33  -4.638  -9.081  -4.464
  235    H    GLU  34           H        GLU  34  -0.016  -8.231   0.647
  236    HA   GLU  34           HA       GLU  34   2.034  -7.543   2.509
  237   1HB   GLU  34          2HB       GLU  34  -0.100  -9.694   2.417
  238   2HB   GLU  34          1HB       GLU  34   0.897  -9.412   3.844
  239   1HG   GLU  34          2HG       GLU  34   0.077  -6.863   3.243
  240   2HG   GLU  34          1HG       GLU  34  -1.331  -7.808   2.763
  241    H    ILE  35           H        ILE  35   4.070  -8.375   2.709
  242    HA   ILE  35           HA       ILE  35   4.807 -10.824   1.215
  243    HB   ILE  35           HB       ILE  35   6.366  -8.755   2.803
  244   1HG1  ILE  35          2HG1      ILE  35   6.885  -8.974  -0.059
  245   2HG1  ILE  35          1HG1      ILE  35   5.185  -8.629   0.259
  246   1HG2  ILE  35          1HG2      ILE  35   7.668 -10.755   2.861
  247   2HG2  ILE  35          2HG2      ILE  35   8.331  -9.801   1.534
  248   3HG2  ILE  35          3HG2      ILE  35   7.256 -11.157   1.193
  249   1HD1  ILE  35          1HD1      ILE  35   7.520  -6.899   0.582
  250   2HD1  ILE  35          2HD1      ILE  35   6.527  -6.963   2.039
  251   3HD1  ILE  35          3HD1      ILE  35   5.811  -6.471   0.504
  252   1HN   NH2  36          1HN       NH2  36   5.454 -13.081   3.819
  253   2HN   NH2  36          2HN       NH2  36   5.995 -12.552   2.211
  Start of MODEL   18
    1   1H    GLU   1          1H        GLU   1  12.900   5.730   2.451
    2   2H    GLU   1          2H        GLU   1  13.920   5.536   3.796
    3   3H    GLU   1          3H        GLU   1  12.264   5.852   4.019
    4    HA   GLU   1           HA       GLU   1  13.414   3.376   2.821
    5   1HB   GLU   1          2HB       GLU   1  12.707   4.324   5.527
    6   2HB   GLU   1          1HB       GLU   1  12.036   2.745   5.117
    7   1HG   GLU   1          2HG       GLU   1  14.380   2.109   4.319
    8   2HG   GLU   1          1HG       GLU   1  14.943   3.580   5.113
    9    H    CYS   2           H        CYS   2  11.717   1.720   2.495
   10    HA   CYS   2           HA       CYS   2   9.298   2.824   1.285
   11   1HB   CYS   2          2HB       CYS   2   8.916   0.482   0.680
   12   2HB   CYS   2          1HB       CYS   2  10.617   0.874   0.432
   13    H    LEU   3           H        LEU   3   7.111   1.779   1.874
   14    HA   LEU   3           HA       LEU   3   6.709   2.026   4.804
   15   1HB   LEU   3          2HB       LEU   3   4.835   1.797   2.426
   16   2HB   LEU   3          1HB       LEU   3   4.307   2.063   4.085
   17    HG   LEU   3           HG       LEU   3   6.327   3.897   2.804
   18   1HD1  LEU   3          1HD1      LEU   3   3.320   4.276   2.746
   19   2HD1  LEU   3          2HD1      LEU   3   4.266   3.734   1.360
   20   3HD1  LEU   3          3HD1      LEU   3   4.540   5.337   2.042
   21   1HD2  LEU   3          1HD2      LEU   3   5.956   3.983   5.261
   22   2HD2  LEU   3          2HD2      LEU   3   4.241   4.278   4.978
   23   3HD2  LEU   3          3HD2      LEU   3   5.436   5.471   4.471
   24    H    GLY   4           H        GLY   4   5.989   0.321   6.101
   25   1HA   GLY   4          2HA       GLY   4   6.365  -2.389   5.065
   26   2HA   GLY   4          1HA       GLY   4   5.961  -1.962   6.727
   27    H    PHE   5           H        PHE   5   4.252  -3.471   6.906
   28    HA   PHE   5           HA       PHE   5   2.044  -3.442   4.949
   29   1HB   PHE   5          2HB       PHE   5   2.936  -5.502   6.048
   30   2HB   PHE   5          1HB       PHE   5   2.388  -4.878   7.604
   31    HD1  PHE   5           HD1      PHE   5   1.304  -6.155   4.305
   32    HD2  PHE   5           HD2      PHE   5   0.036  -4.840   8.193
   33    HE1  PHE   5           HE1      PHE   5  -0.962  -7.065   3.874
   34    HE2  PHE   5           HE2      PHE   5  -2.229  -5.751   7.762
   35    HZ   PHE   5           HZ       PHE   5  -2.728  -6.863   5.602
   36    H    GLY   6           H        GLY   6   0.087  -2.411   5.256
   37   1HA   GLY   6          2HA       GLY   6  -1.589  -1.128   6.279
   38   2HA   GLY   6          1HA       GLY   6  -0.917  -1.600   7.839
   39    H    LYS   7           H        LYS   7   0.101   0.408   5.052
   40    HA   LYS   7           HA       LYS   7   0.873   2.555   7.002
   41   1HB   LYS   7          2HB       LYS   7   2.345   1.232   4.743
   42   2HB   LYS   7          1HB       LYS   7   2.676   2.931   5.081
   43   1HG   LYS   7          2HG       LYS   7   2.657   0.952   7.342
   44   2HG   LYS   7          1HG       LYS   7   4.077   1.072   6.303
   45   1HD   LYS   7          2HD       LYS   7   4.735   2.961   7.331
   46   2HD   LYS   7          1HD       LYS   7   3.173   3.718   7.018
   47   1HE   LYS   7          2HE       LYS   7   2.294   2.332   9.016
   48   2HE   LYS   7          1HE       LYS   7   4.003   2.070   9.416
   49   1HZ   LYS   7          1HZ       LYS   7   2.702   4.710   8.984
   50   2HZ   LYS   7          2HZ       LYS   7   4.352   4.469   9.316
   51   3HZ   LYS   7          3HZ       LYS   7   3.181   4.078  10.483
   52    H    GLY   8           H        GLY   8  -0.529   4.226   6.610
   53   1HA   GLY   8          2HA       GLY   8  -2.083   4.562   4.252
   54   2HA   GLY   8          1HA       GLY   8  -1.799   5.820   5.452
   55    H    CYS   9           H        CYS   9  -1.437   5.177   2.263
   56    HA   CYS   9           HA       CYS   9   0.751   7.187   1.992
   57   1HB   CYS   9          2HB       CYS   9   2.138   5.709   0.943
   58   2HB   CYS   9          1HB       CYS   9   1.160   4.483   1.737
   59    H    ASN  10           H        ASN  10   0.872   7.325  -0.767
   60    HA   ASN  10           HA       ASN  10  -1.776   8.467  -1.425
   61   1HB   ASN  10          2HB       ASN  10   0.655   9.412  -1.785
   62   2HB   ASN  10          1HB       ASN  10   0.634   8.397  -3.227
   63   1HD2  ASN  10          1HD2      ASN  10  -0.745  11.291  -1.755
   64   2HD2  ASN  10          2HD2      ASN  10  -1.602  11.801  -3.128
   65    HA   PRO  11           HA       PRO  11  -2.958   4.869  -3.738
   66   1HB   PRO  11          2HB       PRO  11  -5.022   5.988  -5.153
   67   2HB   PRO  11          1HB       PRO  11  -5.147   5.537  -3.441
   68   1HG   PRO  11          2HG       PRO  11  -4.686   8.214  -4.663
   69   2HG   PRO  11          1HG       PRO  11  -5.682   7.767  -3.270
   70   1HD   PRO  11          2HD       PRO  11  -3.220   8.894  -3.034
   71   2HD   PRO  11          1HD       PRO  11  -3.902   7.787  -1.822
   72    H    SER  12           H        SER  12  -2.777   7.976  -5.551
   73    HA   SER  12           HA       SER  12  -2.238   6.688  -8.098
   74   1HB   SER  12          2HB       SER  12  -1.955   8.968  -8.863
   75   2HB   SER  12          1HB       SER  12  -3.269   8.963  -7.691
   76    HG   SER  12           HG       SER  12  -2.022   9.977  -6.268
   77    H    ASN  13           H        ASN  13  -0.233   8.082  -5.528
   78    HA   ASN  13           HA       ASN  13   2.211   7.088  -6.962
   79   1HB   ASN  13          2HB       ASN  13   1.778   9.622  -6.594
   80   2HB   ASN  13          1HB       ASN  13   2.116   9.293  -4.894
   81   1HD2  ASN  13          1HD2      ASN  13   3.567   9.565  -8.090
   82   2HD2  ASN  13          2HD2      ASN  13   5.174   9.369  -7.580
   83    H    ASP  14           H        ASP  14   1.389   5.037  -5.723
   84    HA   ASP  14           HA       ASP  14   1.580   4.937  -2.849
   85   1HB   ASP  14          2HB       ASP  14   1.341   2.556  -3.193
   86   2HB   ASP  14          1HB       ASP  14   0.355   3.365  -4.408
   87    H    GLN  15           H        GLN  15   3.336   4.581  -1.537
   88    HA   GLN  15           HA       GLN  15   5.989   4.073  -2.852
   89   1HB   GLN  15          2HB       GLN  15   5.203   5.824  -0.497
   90   2HB   GLN  15          1HB       GLN  15   6.870   5.526  -0.989
   91   1HG   GLN  15          2HG       GLN  15   5.047   6.412  -3.154
   92   2HG   GLN  15          1HG       GLN  15   5.385   7.612  -1.908
   93   1HE2  GLN  15          1HE2      GLN  15   7.173   8.873  -2.435
   94   2HE2  GLN  15          2HE2      GLN  15   8.530   8.331  -3.298
   95    H    CYS  16           H        CYS  16   4.278   1.977  -1.883
   96    HA   CYS  16           HA       CYS  16   5.244   1.213   0.802
   97   1HB   CYS  16          2HB       CYS  16   2.896   0.905  -0.276
   98   2HB   CYS  16          1HB       CYS  16   3.628  -0.457  -1.124
   99    H    CYS  17           H        CYS  17   6.331  -0.889   1.134
  100    HA   CYS  17           HA       CYS  17   8.550  -1.321  -0.672
  101   1HB   CYS  17          2HB       CYS  17   7.791  -1.953   1.966
  102   2HB   CYS  17          1HB       CYS  17   7.996  -3.510   1.164
  103    H    LYS  18           H        LYS  18   8.606  -2.621  -2.459
  104    HA   LYS  18           HA       LYS  18   6.249  -4.156  -3.267
  105   1HB   LYS  18          2HB       LYS  18   8.767  -3.151  -4.383
  106   2HB   LYS  18          1HB       LYS  18   8.351  -4.754  -4.989
  107   1HG   LYS  18          2HG       LYS  18   6.819  -3.836  -6.353
  108   2HG   LYS  18          1HG       LYS  18   5.954  -3.211  -4.949
  109   1HD   LYS  18          2HD       LYS  18   6.438  -1.235  -6.074
  110   2HD   LYS  18          1HD       LYS  18   7.832  -1.354  -5.001
  111   1HE   LYS  18          2HE       LYS  18   9.287  -1.848  -6.724
  112   2HE   LYS  18          1HE       LYS  18   8.051  -2.719  -7.654
  113   1HZ   LYS  18          1HZ       LYS  18   6.955  -0.629  -8.127
  114   2HZ   LYS  18          2HZ       LYS  18   8.571  -0.554  -8.648
  115   3HZ   LYS  18          3HZ       LYS  18   8.101   0.223  -7.212
  116    H    SER  19           H        SER  19   9.002  -4.879  -1.344
  117    HA   SER  19           HA       SER  19   9.550  -7.592  -2.064
  118   1HB   SER  19          2HB       SER  19  10.826  -5.989  -0.539
  119   2HB   SER  19          1HB       SER  19   9.634  -6.359   0.704
  120    HG   SER  19           HG       SER  19  11.365  -7.761   0.921
  121    H    SER  20           H        SER  20   7.109  -6.168   0.115
  122    HA   SER  20           HA       SER  20   6.071  -8.874   0.795
  123   1HB   SER  20          2HB       SER  20   6.508  -6.966   2.444
  124   2HB   SER  20          1HB       SER  20   5.121  -6.154   1.726
  125    HG   SER  20           HG       SER  20   5.257  -8.462   3.296
  126    H    ASN  21           H        ASN  21   5.690  -7.083  -1.860
  127    HA   ASN  21           HA       ASN  21   3.967  -6.727  -3.427
  128   1HB   ASN  21          2HB       ASN  21   4.065  -9.281  -2.810
  129   2HB   ASN  21          1HB       ASN  21   2.519  -8.963  -2.022
  130   1HD2  ASN  21          1HD2      ASN  21   0.682  -8.380  -3.389
  131   2HD2  ASN  21          2HD2      ASN  21   0.737  -8.579  -5.074
  132    H    LEU  22           H        LEU  22   3.627  -4.745  -1.773
  133    HA   LEU  22           HA       LEU  22   0.757  -4.830  -0.889
  134   1HB   LEU  22          2HB       LEU  22   3.249  -3.663   0.360
  135   2HB   LEU  22          1HB       LEU  22   1.641  -3.113   0.833
  136    HG   LEU  22           HG       LEU  22   2.421  -6.036   0.837
  137   1HD1  LEU  22          1HD1      LEU  22   2.940  -5.859   3.173
  138   2HD1  LEU  22          2HD1      LEU  22   2.391  -4.184   3.231
  139   3HD1  LEU  22          3HD1      LEU  22   3.867  -4.598   2.360
  140   1HD2  LEU  22          1HD2      LEU  22   0.003  -5.478   0.811
  141   2HD2  LEU  22          2HD2      LEU  22   0.229  -4.473   2.242
  142   3HD2  LEU  22          3HD2      LEU  22   0.478  -6.217   2.340
  143    H    VAL  23           H        VAL  23  -0.508  -3.199  -1.704
  144    HA   VAL  23           HA       VAL  23   0.843  -0.845  -2.986
  145    HB   VAL  23           HB       VAL  23  -0.947  -1.035  -4.750
  146   1HG1  VAL  23          1HG1      VAL  23   0.128  -2.818  -5.961
  147   2HG1  VAL  23          2HG1      VAL  23   0.677  -3.577  -4.467
  148   3HG1  VAL  23          3HG1      VAL  23   1.365  -2.036  -4.978
  149   1HG2  VAL  23          1HG2      VAL  23  -2.273  -3.066  -4.896
  150   2HG2  VAL  23          2HG2      VAL  23  -2.538  -2.347  -3.309
  151   3HG2  VAL  23          3HG2      VAL  23  -1.471  -3.741  -3.478
  152    H    CYS  24           H        CYS  24  -0.402   1.132  -2.884
  153    HA   CYS  24           HA       CYS  24  -2.026   1.435  -0.517
  154   1HB   CYS  24          2HB       CYS  24  -0.719   3.045  -2.487
  155   2HB   CYS  24          1HB       CYS  24  -2.387   3.600  -2.353
  156    H    SER  25           H        SER  25  -4.111   0.766  -0.348
  157    HA   SER  25           HA       SER  25  -5.762   0.046  -2.615
  158   1HB   SER  25          2HB       SER  25  -5.770  -0.858  -0.226
  159   2HB   SER  25          1HB       SER  25  -6.606   0.620   0.239
  160    HG   SER  25           HG       SER  25  -7.857  -1.380  -0.431
  161    H    ARG  26           H        ARG  26  -8.044   1.040  -2.825
  162    HA   ARG  26           HA       ARG  26  -7.771   3.984  -3.069
  163   1HB   ARG  26          2HB       ARG  26  -9.307   1.779  -4.286
  164   2HB   ARG  26          1HB       ARG  26 -10.240   3.258  -4.058
  165   1HG   ARG  26          2HG       ARG  26  -7.482   3.353  -5.270
  166   2HG   ARG  26          1HG       ARG  26  -8.892   2.990  -6.266
  167   1HD   ARG  26          2HD       ARG  26  -9.168   5.338  -4.456
  168   2HD   ARG  26          1HD       ARG  26  -8.048   5.527  -5.819
  169    HE   ARG  26           HE       ARG  26  -9.878   5.222  -7.331
  170   1HH1  ARG  26          1HH2      ARG  26 -11.341   6.803  -5.186
  171   2HH1  ARG  26          2HH2      ARG  26 -12.773   5.852  -4.977
  172   1HH2  ARG  26          2HH1      ARG  26 -11.470   3.055  -6.575
  173   2HH2  ARG  26          1HH1      ARG  26 -12.846   3.725  -5.765
  174    H    LYS  27           H        LYS  27  -9.616   1.577  -1.240
  175    HA   LYS  27           HA       LYS  27 -11.430   3.589  -0.077
  176   1HB   LYS  27          2HB       LYS  27 -10.948   0.622   0.297
  177   2HB   LYS  27          1HB       LYS  27 -12.159   1.512   1.221
  178   1HG   LYS  27          2HG       LYS  27 -13.265   2.201  -0.867
  179   2HG   LYS  27          1HG       LYS  27 -12.045   1.340  -1.805
  180   1HD   LYS  27          2HD       LYS  27 -13.113  -0.625  -1.524
  181   2HD   LYS  27          1HD       LYS  27 -13.187  -0.394   0.222
  182   1HE   LYS  27          2HE       LYS  27 -15.061   1.199  -1.506
  183   2HE   LYS  27          1HE       LYS  27 -15.434  -0.504  -1.178
  184   1HZ   LYS  27          1HZ       LYS  27 -14.774   1.542   0.879
  185   2HZ   LYS  27          2HZ       LYS  27 -15.137  -0.091   1.182
  186   3HZ   LYS  27          3HZ       LYS  27 -16.329   0.945   0.556
  187    H    HIS  28           H        HIS  28  -8.707   1.560   1.004
  188    HA   HIS  28           HA       HIS  28  -8.697   2.869   3.666
  189   1HB   HIS  28          2HB       HIS  28  -7.596   0.444   2.363
  190   2HB   HIS  28          1HB       HIS  28  -6.574   1.159   3.609
  191    HD1  HIS  28           HD1      HIS  28  -7.860   1.636   5.976
  192    HD2  HIS  28           HD2      HIS  28  -9.675  -1.079   3.383
  193    HE1  HIS  28           HE1      HIS  28  -9.519   0.318   7.364
  194    H    ALA  29           H        ALA  29  -6.924   2.946   0.629
  195    HA   ALA  29           HA       ALA  29  -5.146   4.306  -0.105
  196   1HB   ALA  29          1HB       ALA  29  -6.855   5.901   1.078
  197   2HB   ALA  29          2HB       ALA  29  -5.243   6.510   0.708
  198   3HB   ALA  29          3HB       ALA  29  -5.633   5.989   2.346
  199    H    TRP  30           H        TRP  30  -4.396   2.053   1.448
  200    HA   TRP  30           HA       TRP  30  -1.828   3.030   2.556
  201   1HB   TRP  30          2HB       TRP  30  -2.189   2.147   4.726
  202   2HB   TRP  30          1HB       TRP  30  -3.700   2.950   4.334
  203    HD1  TRP  30           HD1      TRP  30  -4.574   0.395   2.340
  204    HE1  TRP  30           HE1      TRP  30  -5.560  -1.676   3.508
  205    HE3  TRP  30           HE3      TRP  30  -2.879   1.178   7.088
  206    HZ2  TRP  30           HZ2      TRP  30  -5.626  -2.846   6.115
  207    HZ3  TRP  30           HZ3      TRP  30  -3.421  -0.428   8.896
  208    HH2  TRP  30           HH2      TRP  30  -4.790  -2.438   8.416
  209    H    CYS  31           H        CYS  31  -0.438   1.015   3.200
  210    HA   CYS  31           HA       CYS  31  -0.075  -0.678   0.958
  211   1HB   CYS  31          2HB       CYS  31   0.684  -0.931   3.882
  212   2HB   CYS  31          1HB       CYS  31   1.289  -2.024   2.640
  213    H    LYS  32           H        LYS  32  -1.588  -2.110   0.222
  214    HA   LYS  32           HA       LYS  32  -2.892  -3.943   2.205
  215   1HB   LYS  32          2HB       LYS  32  -4.499  -2.249   1.611
  216   2HB   LYS  32          1HB       LYS  32  -4.079  -2.365  -0.098
  217   1HG   LYS  32          2HG       LYS  32  -5.543  -4.049  -0.409
  218   2HG   LYS  32          1HG       LYS  32  -4.853  -4.962   0.933
  219   1HD   LYS  32          2HD       LYS  32  -6.165  -3.393   2.478
  220   2HD   LYS  32          1HD       LYS  32  -7.033  -2.873   1.034
  221   1HE   LYS  32          2HE       LYS  32  -8.397  -4.628   1.814
  222   2HE   LYS  32          1HE       LYS  32  -7.356  -5.474   0.653
  223   1HZ   LYS  32          1HZ       LYS  32  -7.372  -6.612   2.794
  224   2HZ   LYS  32          2HZ       LYS  32  -6.832  -5.201   3.570
  225   3HZ   LYS  32          3HZ       LYS  32  -5.828  -5.998   2.455
  226    H    TYR  33           H        TYR  33  -2.969  -6.087   1.538
  227    HA   TYR  33           HA       TYR  33  -1.419  -6.850  -0.841
  228   1HB   TYR  33          2HB       TYR  33  -1.717  -7.888   1.621
  229   2HB   TYR  33          1HB       TYR  33  -2.984  -8.798   0.799
  230    HD1  TYR  33           HD1      TYR  33  -2.356  -9.991  -1.406
  231    HD2  TYR  33           HD2      TYR  33   0.537  -8.528   1.411
  232    HE1  TYR  33           HE1      TYR  33  -0.644 -11.490  -2.389
  233    HE2  TYR  33           HE2      TYR  33   2.251 -10.028   0.429
  234    HH   TYR  33           HH       TYR  33   2.230 -11.258  -2.370
  235    H    GLU  34           H        GLU  34  -2.278  -7.959  -2.660
  236    HA   GLU  34           HA       GLU  34  -4.979  -7.270  -3.456
  237   1HB   GLU  34          2HB       GLU  34  -2.723  -8.958  -4.543
  238   2HB   GLU  34          1HB       GLU  34  -4.275  -8.876  -5.377
  239   1HG   GLU  34          2HG       GLU  34  -3.450  -7.022  -6.382
  240   2HG   GLU  34          1HG       GLU  34  -3.743  -6.215  -4.841
  241    H    ILE  35           H        ILE  35  -6.835  -8.456  -3.185
  242    HA   ILE  35           HA       ILE  35  -6.803 -10.910  -1.606
  243    HB   ILE  35           HB       ILE  35  -8.990  -9.421  -3.104
  244   1HG1  ILE  35          2HG1      ILE  35  -7.932  -8.059  -1.357
  245   2HG1  ILE  35          1HG1      ILE  35  -9.547  -8.540  -0.842
  246   1HG2  ILE  35          1HG2      ILE  35  -9.078 -11.697  -1.116
  247   2HG2  ILE  35          2HG2      ILE  35  -9.811 -11.624  -2.719
  248   3HG2  ILE  35          3HG2      ILE  35 -10.464 -10.646  -1.404
  249   1HD1  ILE  35          1HD1      ILE  35  -8.450 -10.493   0.371
  250   2HD1  ILE  35          2HD1      ILE  35  -8.103  -8.899   1.039
  251   3HD1  ILE  35          3HD1      ILE  35  -6.901  -9.717   0.042
  252   1HN   NH2  36          1HN       NH2  36  -7.409 -11.606  -5.654
  253   2HN   NH2  36          2HN       NH2  36  -6.952 -10.025  -4.984
  Start of MODEL   19
    1   1H    GLU   1          1H        GLU   1  10.641  10.802   0.266
    2   2H    GLU   1          2H        GLU   1   8.944  10.756   0.195
    3   3H    GLU   1          3H        GLU   1   9.869   9.906  -0.949
    4    HA   GLU   1           HA       GLU   1  10.736   8.458   0.826
    5   1HB   GLU   1          2HB       GLU   1  10.360  10.401   2.470
    6   2HB   GLU   1          1HB       GLU   1   8.678   9.875   2.534
    7   1HG   GLU   1          2HG       GLU   1  10.002   7.499   2.889
    8   2HG   GLU   1          1HG       GLU   1  11.084   8.627   3.704
    9    H    CYS   2           H        CYS   2   9.732   6.463   0.705
   10    HA   CYS   2           HA       CYS   2   7.077   6.286  -0.538
   11   1HB   CYS   2          2HB       CYS   2   7.637   3.950  -0.712
   12   2HB   CYS   2          1HB       CYS   2   9.128   4.843  -1.001
   13    H    LEU   3           H        LEU   3   5.418   4.751   0.455
   14    HA   LEU   3           HA       LEU   3   5.009   5.463   3.299
   15   1HB   LEU   3          2HB       LEU   3   3.320   3.980   1.256
   16   2HB   LEU   3          1HB       LEU   3   2.763   4.484   2.850
   17    HG   LEU   3           HG       LEU   3   3.996   6.577   1.117
   18   1HD1  LEU   3          1HD1      LEU   3   1.680   4.971   0.329
   19   2HD1  LEU   3          2HD1      LEU   3   2.594   6.155  -0.604
   20   3HD1  LEU   3          3HD1      LEU   3   1.295   6.687   0.462
   21   1HD2  LEU   3          1HD2      LEU   3   1.578   6.494   2.952
   22   2HD2  LEU   3          2HD2      LEU   3   2.252   7.944   2.207
   23   3HD2  LEU   3          3HD2      LEU   3   3.187   7.054   3.408
   24    H    GLY   4           H        GLY   4   5.044   3.966   4.990
   25   1HA   GLY   4          2HA       GLY   4   6.442   1.450   4.531
   26   2HA   GLY   4          1HA       GLY   4   5.847   2.034   6.085
   27    H    PHE   5           H        PHE   5   5.357  -0.497   5.942
   28    HA   PHE   5           HA       PHE   5   2.961  -1.241   4.446
   29   1HB   PHE   5          2HB       PHE   5   4.689  -2.870   4.953
   30   2HB   PHE   5          1HB       PHE   5   4.567  -2.525   6.679
   31    HD1  PHE   5           HD1      PHE   5   2.453  -3.635   3.782
   32    HD2  PHE   5           HD2      PHE   5   3.175  -3.847   8.011
   33    HE1  PHE   5           HE1      PHE   5   0.666  -5.338   4.003
   34    HE2  PHE   5           HE2      PHE   5   1.389  -5.551   8.231
   35    HZ   PHE   5           HZ       PHE   5   0.133  -6.295   6.226
   36    H    GLY   6           H        GLY   6   0.849  -1.307   5.214
   37   1HA   GLY   6          2HA       GLY   6  -0.949  -1.115   6.729
   38   2HA   GLY   6          1HA       GLY   6   0.217  -1.035   8.049
   39    H    LYS   7           H        LYS   7  -0.040   1.054   5.171
   40    HA   LYS   7           HA       LYS   7  -0.440   3.391   7.010
   41   1HB   LYS   7          2HB       LYS   7   1.489   2.745   4.920
   42   2HB   LYS   7          1HB       LYS   7   0.666   4.267   4.583
   43   1HG   LYS   7          2HG       LYS   7   1.863   3.633   7.289
   44   2HG   LYS   7          1HG       LYS   7   2.774   4.442   6.015
   45   1HD   LYS   7          2HD       LYS   7   0.070   5.481   6.842
   46   2HD   LYS   7          1HD       LYS   7   1.511   5.908   7.765
   47   1HE   LYS   7          2HE       LYS   7   2.556   6.619   5.522
   48   2HE   LYS   7          1HE       LYS   7   0.912   6.521   4.860
   49   1HZ   LYS   7          1HZ       LYS   7   1.717   8.087   7.258
   50   2HZ   LYS   7          2HZ       LYS   7   0.143   7.981   6.627
   51   3HZ   LYS   7          3HZ       LYS   7   1.370   8.739   5.731
   52    H    GLY   8           H        GLY   8  -2.436   4.300   6.724
   53   1HA   GLY   8          2HA       GLY   8  -4.273   3.580   4.681
   54   2HA   GLY   8          1HA       GLY   8  -4.419   5.014   5.695
   55    H    CYS   9           H        CYS   9  -4.060   4.002   2.540
   56    HA   CYS   9           HA       CYS   9  -3.256   6.738   1.682
   57   1HB   CYS   9          2HB       CYS   9  -1.288   6.029   0.783
   58   2HB   CYS   9          1HB       CYS   9  -1.494   4.600   1.788
   59    H    ASN  10           H        ASN  10  -3.383   6.596  -0.976
   60    HA   ASN  10           HA       ASN  10  -6.184   5.817  -1.516
   61   1HB   ASN  10          2HB       ASN  10  -4.011   7.371  -2.931
   62   2HB   ASN  10          1HB       ASN  10  -5.525   6.974  -3.744
   63   1HD2  ASN  10          1HD2      ASN  10  -4.038   9.189  -1.561
   64   2HD2  ASN  10          2HD2      ASN  10  -5.447  10.002  -1.077
   65    HA   PRO  11           HA       PRO  11  -4.934   1.996  -3.395
   66   1HB   PRO  11          2HB       PRO  11  -7.304   1.417  -4.645
   67   2HB   PRO  11          1HB       PRO  11  -7.046   1.205  -2.903
   68   1HG   PRO  11          2HG       PRO  11  -8.414   3.416  -4.354
   69   2HG   PRO  11          1HG       PRO  11  -8.848   2.628  -2.829
   70   1HD   PRO  11          2HD       PRO  11  -7.625   5.052  -2.954
   71   2HD   PRO  11          1HD       PRO  11  -7.413   3.924  -1.597
   72    H    SER  12           H        SER  12  -6.732   4.385  -5.381
   73    HA   SER  12           HA       SER  12  -5.773   3.397  -7.926
   74   1HB   SER  12          2HB       SER  12  -6.980   5.994  -6.946
   75   2HB   SER  12          1HB       SER  12  -6.600   5.714  -8.643
   76    HG   SER  12           HG       SER  12  -8.597   4.654  -7.047
   77    H    ASN  13           H        ASN  13  -4.801   6.151  -5.869
   78    HA   ASN  13           HA       ASN  13  -2.277   6.389  -7.464
   79   1HB   ASN  13          2HB       ASN  13  -3.910   8.326  -7.218
   80   2HB   ASN  13          1HB       ASN  13  -3.515   8.344  -5.500
   81   1HD2  ASN  13          1HD2      ASN  13  -1.877   8.485  -8.717
   82   2HD2  ASN  13          2HD2      ASN  13  -0.624   9.503  -8.194
   83    H    ASP  14           H        ASP  14  -1.938   4.287  -5.954
   84    HA   ASP  14           HA       ASP  14  -1.129   4.934  -3.198
   85   1HB   ASP  14          2HB       ASP  14  -0.697   2.516  -3.092
   86   2HB   ASP  14          1HB       ASP  14  -2.262   2.813  -3.844
   87    H    GLN  15           H        GLN  15   0.963   5.295  -2.530
   88    HA   GLN  15           HA       GLN  15   3.161   4.928  -4.541
   89   1HB   GLN  15          2HB       GLN  15   2.121   7.305  -3.741
   90   2HB   GLN  15          1HB       GLN  15   3.343   7.079  -2.489
   91   1HG   GLN  15          2HG       GLN  15   4.712   6.370  -4.780
   92   2HG   GLN  15          1HG       GLN  15   3.683   7.686  -5.346
   93   1HE2  GLN  15          1HE2      GLN  15   4.368   9.794  -4.847
   94   2HE2  GLN  15          2HE2      GLN  15   5.594  10.165  -3.734
   95    H    CYS  16           H        CYS  16   2.397   3.001  -2.529
   96    HA   CYS  16           HA       CYS  16   4.017   3.241  -0.142
   97   1HB   CYS  16          2HB       CYS  16   1.945   1.709  -0.931
   98   2HB   CYS  16          1HB       CYS  16   3.261   0.586  -1.278
   99    H    CYS  17           H        CYS  17   5.924   1.889   0.338
  100    HA   CYS  17           HA       CYS  17   8.012   2.061  -1.583
  101   1HB   CYS  17          2HB       CYS  17   7.596   1.230   1.112
  102   2HB   CYS  17          1HB       CYS  17   8.470  -0.068   0.298
  103    H    LYS  18           H        LYS  18   8.258   0.886  -3.431
  104    HA   LYS  18           HA       LYS  18   6.752  -1.602  -3.868
  105   1HB   LYS  18          2HB       LYS  18   8.706   0.041  -5.506
  106   2HB   LYS  18          1HB       LYS  18   7.880  -1.389  -6.126
  107   1HG   LYS  18          2HG       LYS  18   5.790   0.037  -5.049
  108   2HG   LYS  18          1HG       LYS  18   6.832   1.325  -5.654
  109   1HD   LYS  18          2HD       LYS  18   5.762   0.907  -7.625
  110   2HD   LYS  18          1HD       LYS  18   6.936  -0.402  -7.751
  111   1HE   LYS  18          2HE       LYS  18   5.371  -2.026  -6.960
  112   2HE   LYS  18          1HE       LYS  18   4.250  -0.773  -6.392
  113   1HZ   LYS  18          1HZ       LYS  18   3.970  -0.013  -8.657
  114   2HZ   LYS  18          2HZ       LYS  18   3.587  -1.666  -8.561
  115   3HZ   LYS  18          3HZ       LYS  18   5.072  -1.172  -9.222
  116    H    SER  19           H        SER  19   9.687  -0.939  -2.353
  117    HA   SER  19           HA       SER  19  11.465  -2.925  -3.379
  118   1HB   SER  19          2HB       SER  19  11.867  -0.982  -1.758
  119   2HB   SER  19          1HB       SER  19  11.192  -2.014  -0.501
  120    HG   SER  19           HG       SER  19  13.512  -2.129  -0.720
  121    H    SER  20           H        SER  20   8.899  -3.103  -0.903
  122    HA   SER  20           HA       SER  20   9.415  -6.031  -0.582
  123   1HB   SER  20          2HB       SER  20   7.921  -3.919   0.988
  124   2HB   SER  20          1HB       SER  20   7.800  -5.632   1.374
  125    HG   SER  20           HG       SER  20   9.635  -3.990   2.184
  126    H    ASN  21           H        ASN  21   7.865  -4.521  -2.860
  127    HA   ASN  21           HA       ASN  21   5.910  -4.855  -4.130
  128   1HB   ASN  21          2HB       ASN  21   7.104  -7.191  -3.682
  129   2HB   ASN  21          1HB       ASN  21   5.630  -7.514  -2.768
  130   1HD2  ASN  21          1HD2      ASN  21   3.569  -7.527  -3.975
  131   2HD2  ASN  21          2HD2      ASN  21   3.555  -7.676  -5.666
  132    H    LEU  22           H        LEU  22   5.155  -3.229  -2.209
  133    HA   LEU  22           HA       LEU  22   2.791  -4.481  -0.845
  134   1HB   LEU  22          2HB       LEU  22   4.642  -2.183  -0.167
  135   2HB   LEU  22          1HB       LEU  22   3.108  -2.423   0.669
  136    HG   LEU  22           HG       LEU  22   5.244  -4.561   0.443
  137   1HD1  LEU  22          1HD1      LEU  22   4.621  -2.717   2.771
  138   2HD1  LEU  22          2HD1      LEU  22   6.045  -2.595   1.737
  139   3HD1  LEU  22          3HD1      LEU  22   5.817  -4.012   2.762
  140   1HD2  LEU  22          1HD2      LEU  22   3.807  -5.245   2.586
  141   2HD2  LEU  22          2HD2      LEU  22   3.299  -5.711   0.962
  142   3HD2  LEU  22          3HD2      LEU  22   2.561  -4.316   1.751
  143    H    VAL  23           H        VAL  23   0.806  -3.735  -1.461
  144    HA   VAL  23           HA       VAL  23   0.655  -1.154  -2.991
  145    HB   VAL  23           HB       VAL  23  -1.115  -2.273  -4.337
  146   1HG1  VAL  23          1HG1      VAL  23   1.363  -4.007  -4.283
  147   2HG1  VAL  23          2HG1      VAL  23   1.373  -2.363  -4.921
  148   3HG1  VAL  23          3HG1      VAL  23   0.358  -3.594  -5.672
  149   1HG2  VAL  23          1HG2      VAL  23  -1.853  -3.883  -2.595
  150   2HG2  VAL  23          2HG2      VAL  23  -0.321  -4.746  -2.757
  151   3HG2  VAL  23          3HG2      VAL  23  -1.456  -4.702  -4.107
  152    H    CYS  24           H        CYS  24  -1.361   0.034  -2.687
  153    HA   CYS  24           HA       CYS  24  -2.441  -0.178   0.011
  154   1HB   CYS  24          2HB       CYS  24  -2.246   1.728  -2.085
  155   2HB   CYS  24          1HB       CYS  24  -3.964   1.534  -1.737
  156    H    SER  25           H        SER  25  -3.965  -1.674   0.530
  157    HA   SER  25           HA       SER  25  -5.633  -3.001  -1.464
  158   1HB   SER  25          2HB       SER  25  -4.679  -3.993   0.651
  159   2HB   SER  25          1HB       SER  25  -5.793  -2.985   1.569
  160    HG   SER  25           HG       SER  25  -7.289  -4.388   1.149
  161    H    ARG  26           H        ARG  26  -8.002  -2.927  -1.454
  162    HA   ARG  26           HA       ARG  26  -9.055  -0.207  -0.961
  163   1HB   ARG  26          2HB       ARG  26  -9.506  -2.399  -2.748
  164   2HB   ARG  26          1HB       ARG  26 -11.019  -2.070  -1.905
  165   1HG   ARG  26          2HG       ARG  26  -9.335   0.002  -3.345
  166   2HG   ARG  26          1HG       ARG  26 -10.822  -0.713  -3.968
  167   1HD   ARG  26          2HD       ARG  26 -11.758   0.126  -1.589
  168   2HD   ARG  26          1HD       ARG  26 -10.463   1.319  -1.811
  169    HE   ARG  26           HE       ARG  26 -11.476   1.790  -4.076
  170   1HH1  ARG  26          2HH1      ARG  26 -13.341   2.872  -2.046
  171   2HH1  ARG  26          1HH1      ARG  26 -14.856   2.165  -2.499
  172   1HH2  ARG  26          1HH2      ARG  26 -13.418  -0.290  -4.492
  173   2HH2  ARG  26          2HH2      ARG  26 -14.900   0.371  -3.887
  174    H    LYS  27           H        LYS  27  -9.365  -3.470   0.366
  175    HA   LYS  27           HA       LYS  27 -11.763  -3.197   1.863
  176   1HB   LYS  27          2HB       LYS  27 -10.161  -5.201   1.370
  177   2HB   LYS  27          1HB       LYS  27  -9.329  -4.684   2.836
  178   1HG   LYS  27          2HG       LYS  27 -11.329  -4.966   4.158
  179   2HG   LYS  27          1HG       LYS  27 -12.303  -5.246   2.715
  180   1HD   LYS  27          2HD       LYS  27 -10.725  -7.237   2.258
  181   2HD   LYS  27          1HD       LYS  27 -10.208  -7.046   3.933
  182   1HE   LYS  27          2HE       LYS  27 -13.151  -7.074   3.496
  183   2HE   LYS  27          1HE       LYS  27 -12.307  -8.612   3.231
  184   1HZ   LYS  27          1HZ       LYS  27 -11.985  -6.877   5.626
  185   2HZ   LYS  27          2HZ       LYS  27 -11.223  -8.373   5.365
  186   3HZ   LYS  27          3HZ       LYS  27 -12.907  -8.300   5.576
  187    H    HIS  28           H        HIS  28  -8.401  -2.428   2.788
  188    HA   HIS  28           HA       HIS  28  -9.462  -0.994   5.202
  189   1HB   HIS  28          2HB       HIS  28  -6.981  -2.556   4.554
  190   2HB   HIS  28          1HB       HIS  28  -6.900  -1.311   5.800
  191    HD1  HIS  28           HD1      HIS  28  -8.689  -1.572   7.810
  192    HD2  HIS  28           HD2      HIS  28  -8.183  -4.927   5.385
  193    HE1  HIS  28           HE1      HIS  28  -9.673  -3.530   9.079
  194    H    ALA  29           H        ALA  29  -8.323  -0.368   2.107
  195    HA   ALA  29           HA       ALA  29  -7.413   1.533   1.056
  196   1HB   ALA  29          1HB       ALA  29  -8.267   2.985   3.563
  197   2HB   ALA  29          2HB       ALA  29  -9.456   2.321   2.443
  198   3HB   ALA  29          3HB       ALA  29  -8.322   3.554   1.895
  199    H    TRP  30           H        TRP  30  -5.484   0.008   2.480
  200    HA   TRP  30           HA       TRP  30  -3.518   2.133   3.107
  201   1HB   TRP  30          2HB       TRP  30  -3.075   1.343   5.313
  202   2HB   TRP  30          1HB       TRP  30  -4.826   1.435   5.192
  203    HD1  TRP  30           HD1      TRP  30  -4.852  -1.418   3.399
  204    HE1  TRP  30           HE1      TRP  30  -4.704  -3.600   4.751
  205    HE3  TRP  30           HE3      TRP  30  -2.961   0.391   7.775
  206    HZ2  TRP  30           HZ2      TRP  30  -3.894  -4.471   7.353
  207    HZ3  TRP  30           HZ3      TRP  30  -2.513  -1.134   9.677
  208    HH2  TRP  30           HH2      TRP  30  -2.977  -3.562   9.471
  209    H    CYS  31           H        CYS  31  -1.268   1.084   3.455
  210    HA   CYS  31           HA       CYS  31  -0.605  -0.567   1.222
  211   1HB   CYS  31          2HB       CYS  31   0.779   0.201   3.797
  212   2HB   CYS  31          1HB       CYS  31   1.576  -0.806   2.592
  213    H    LYS  32           H        LYS  32  -0.923  -2.721   0.958
  214    HA   LYS  32           HA       LYS  32  -0.879  -4.516   3.357
  215   1HB   LYS  32          2HB       LYS  32  -3.155  -3.664   2.091
  216   2HB   LYS  32          1HB       LYS  32  -2.803  -5.143   1.196
  217   1HG   LYS  32          2HG       LYS  32  -2.506  -6.260   3.498
  218   2HG   LYS  32          1HG       LYS  32  -3.289  -4.825   4.161
  219   1HD   LYS  32          2HD       LYS  32  -5.272  -5.212   2.817
  220   2HD   LYS  32          1HD       LYS  32  -4.484  -6.540   1.964
  221   1HE   LYS  32          2HE       LYS  32  -5.646  -7.771   3.554
  222   2HE   LYS  32          1HE       LYS  32  -4.182  -7.436   4.498
  223   1HZ   LYS  32          1HZ       LYS  32  -6.564  -5.657   4.430
  224   2HZ   LYS  32          2HZ       LYS  32  -5.199  -5.500   5.430
  225   3HZ   LYS  32          3HZ       LYS  32  -6.273  -6.797   5.651
  226    H    TYR  33           H        TYR  33  -0.666  -6.865   2.629
  227    HA   TYR  33           HA       TYR  33   1.511  -7.144   0.711
  228   1HB   TYR  33          2HB       TYR  33  -0.006  -8.763   2.668
  229   2HB   TYR  33          1HB       TYR  33   0.603  -9.677   1.289
  230    HD1  TYR  33           HD1      TYR  33   2.722 -10.595   1.511
  231    HD2  TYR  33           HD2      TYR  33   1.807  -6.948   3.581
  232    HE1  TYR  33           HE1      TYR  33   4.994 -10.590   2.507
  233    HE2  TYR  33           HE2      TYR  33   4.076  -6.942   4.576
  234    HH   TYR  33           HH       TYR  33   6.520  -8.256   3.583
  235    H    GLU  34           H        GLU  34   1.364  -8.702  -1.157
  236    HA   GLU  34           HA       GLU  34  -1.107  -8.221  -2.717
  237   1HB   GLU  34          2HB       GLU  34   1.312  -7.934  -3.517
  238   2HB   GLU  34          1HB       GLU  34   1.415  -9.695  -3.519
  239   1HG   GLU  34          2HG       GLU  34  -0.815  -9.524  -4.921
  240   2HG   GLU  34          1HG       GLU  34  -0.235  -7.893  -5.263
  241    H    ILE  35           H        ILE  35  -2.705  -9.661  -2.064
  242    HA   ILE  35           HA       ILE  35  -3.840 -11.697  -1.763
  243    HB   ILE  35           HB       ILE  35  -1.553 -12.653  -3.528
  244   1HG1  ILE  35          2HG1      ILE  35  -4.276 -11.985  -4.567
  245   2HG1  ILE  35          1HG1      ILE  35  -3.204 -10.642  -4.174
  246   1HG2  ILE  35          1HG2      ILE  35  -4.166 -13.845  -2.656
  247   2HG2  ILE  35          2HG2      ILE  35  -2.599 -14.627  -2.869
  248   3HG2  ILE  35          3HG2      ILE  35  -3.568 -14.197  -4.279
  249   1HD1  ILE  35          1HD1      ILE  35  -2.448 -12.963  -5.971
  250   2HD1  ILE  35          2HD1      ILE  35  -1.480 -11.526  -5.650
  251   3HD1  ILE  35          3HD1      ILE  35  -2.990 -11.389  -6.549
  252   1HN   NH2  36          1HN       NH2  36  -2.425 -13.036   1.132
  253   2HN   NH2  36          2HN       NH2  36  -3.844 -12.462   0.230
  Start of MODEL   20
    1   1H    GLU   1          1H        GLU   1  11.366   8.725  -0.880
    2   2H    GLU   1          2H        GLU   1  12.567   7.598  -0.464
    3   3H    GLU   1          3H        GLU   1  12.678   9.202   0.083
    4    HA   GLU   1           HA       GLU   1  11.934   7.782   1.889
    5   1HB   GLU   1          2HB       GLU   1  10.965  10.183   1.044
    6   2HB   GLU   1          1HB       GLU   1   9.471   9.248   1.106
    7   1HG   GLU   1          2HG       GLU   1   9.502   9.112   3.377
    8   2HG   GLU   1          1HG       GLU   1  11.248   8.871   3.435
    9    H    CYS   2           H        CYS   2  10.587   6.093   2.589
   10    HA   CYS   2           HA       CYS   2   8.655   4.969   0.584
   11   1HB   CYS   2          2HB       CYS   2  10.969   3.852   0.859
   12   2HB   CYS   2          1HB       CYS   2  10.394   3.340   2.445
   13    H    LEU   3           H        LEU   3   6.845   3.824   1.536
   14    HA   LEU   3           HA       LEU   3   6.164   4.766   4.275
   15   1HB   LEU   3          2HB       LEU   3   4.553   3.400   2.091
   16   2HB   LEU   3          1HB       LEU   3   3.886   4.060   3.582
   17    HG   LEU   3           HG       LEU   3   5.433   5.708   1.562
   18   1HD1  LEU   3          1HD1      LEU   3   3.252   6.580   0.849
   19   2HD1  LEU   3          2HD1      LEU   3   2.435   5.500   1.978
   20   3HD1  LEU   3          3HD1      LEU   3   3.315   4.834   0.603
   21   1HD2  LEU   3          1HD2      LEU   3   3.943   6.265   4.117
   22   2HD2  LEU   3          2HD2      LEU   3   4.061   7.517   2.881
   23   3HD2  LEU   3          3HD2      LEU   3   5.525   6.854   3.606
   24    H    GLY   4           H        GLY   4   5.757   3.325   5.979
   25   1HA   GLY   4          2HA       GLY   4   6.883   0.635   5.729
   26   2HA   GLY   4          1HA       GLY   4   6.240   1.357   7.203
   27    H    PHE   5           H        PHE   5   5.161  -0.749   7.536
   28    HA   PHE   5           HA       PHE   5   3.028  -1.541   5.669
   29   1HB   PHE   5          2HB       PHE   5   4.425  -3.163   6.916
   30   2HB   PHE   5          1HB       PHE   5   3.814  -2.514   8.438
   31    HD1  PHE   5           HD1      PHE   5   2.743  -4.152   5.256
   32    HD2  PHE   5           HD2      PHE   5   1.757  -3.264   9.343
   33    HE1  PHE   5           HE1      PHE   5   0.771  -5.649   5.107
   34    HE2  PHE   5           HE2      PHE   5  -0.214  -4.761   9.192
   35    HZ   PHE   5           HZ       PHE   5  -0.706  -5.953   7.075
   36    H    GLY   6           H        GLY   6   0.809  -1.303   6.041
   37   1HA   GLY   6          2HA       GLY   6  -1.172  -0.558   7.062
   38   2HA   GLY   6          1HA       GLY   6  -0.261  -0.280   8.543
   39    H    LYS   7           H        LYS   7   1.192   1.254   5.850
   40    HA   LYS   7           HA       LYS   7   0.581   3.900   6.909
   41   1HB   LYS   7          2HB       LYS   7   2.321   2.615   4.917
   42   2HB   LYS   7          1HB       LYS   7   1.743   4.199   4.403
   43   1HG   LYS   7          2HG       LYS   7   2.936   3.717   7.141
   44   2HG   LYS   7          1HG       LYS   7   3.911   4.196   5.752
   45   1HD   LYS   7          2HD       LYS   7   3.094   6.328   5.744
   46   2HD   LYS   7          1HD       LYS   7   1.471   5.816   6.205
   47   1HE   LYS   7          2HE       LYS   7   2.112   6.861   8.180
   48   2HE   LYS   7          1HE       LYS   7   2.744   5.236   8.509
   49   1HZ   LYS   7          1HZ       LYS   7   4.257   7.454   7.225
   50   2HZ   LYS   7          2HZ       LYS   7   4.856   5.892   7.526
   51   3HZ   LYS   7          3HZ       LYS   7   4.464   6.919   8.821
   52    H    GLY   8           H        GLY   8  -1.252   5.030   6.416
   53   1HA   GLY   8          2HA       GLY   8  -3.104   4.110   4.377
   54   2HA   GLY   8          1HA       GLY   8  -3.288   5.562   5.358
   55    H    CYS   9           H        CYS   9  -1.879   4.261   2.407
   56    HA   CYS   9           HA       CYS   9  -1.078   7.001   1.534
   57   1HB   CYS   9          2HB       CYS   9   0.504   5.913   0.255
   58   2HB   CYS   9          1HB       CYS   9   0.248   4.654   1.459
   59    H    ASN  10           H        ASN  10  -1.385   6.874  -1.179
   60    HA   ASN  10           HA       ASN  10  -4.327   6.941  -1.491
   61   1HB   ASN  10          2HB       ASN  10  -1.923   7.806  -3.108
   62   2HB   ASN  10          1HB       ASN  10  -3.555   7.880  -3.773
   63   1HD2  ASN  10          1HD2      ASN  10  -5.157   9.259  -2.554
   64   2HD2  ASN  10          2HD2      ASN  10  -4.585  10.562  -1.629
   65    HA   PRO  11           HA       PRO  11  -4.509   3.007  -3.496
   66   1HB   PRO  11          2HB       PRO  11  -6.842   3.352  -4.897
   67   2HB   PRO  11          1HB       PRO  11  -6.794   3.067  -3.146
   68   1HG   PRO  11          2HG       PRO  11  -7.136   5.622  -4.637
   69   2HG   PRO  11          1HG       PRO  11  -7.935   5.062  -3.159
   70   1HD   PRO  11          2HD       PRO  11  -5.888   6.850  -3.154
   71   2HD   PRO  11          1HD       PRO  11  -6.201   5.727  -1.812
   72    H    SER  12           H        SER  12  -5.194   5.884  -5.528
   73    HA   SER  12           HA       SER  12  -4.383   4.589  -8.012
   74   1HB   SER  12          2HB       SER  12  -5.346   7.210  -7.040
   75   2HB   SER  12          1HB       SER  12  -4.286   7.299  -8.445
   76    HG   SER  12           HG       SER  12  -6.845   6.352  -8.210
   77    H    ASN  13           H        ASN  13  -2.847   6.702  -5.616
   78    HA   ASN  13           HA       ASN  13  -0.257   6.484  -7.110
   79   1HB   ASN  13          2HB       ASN  13  -1.614   8.552  -5.434
   80   2HB   ASN  13          1HB       ASN  13   0.145   8.465  -5.324
   81   1HD2  ASN  13          1HD2      ASN  13   1.362   9.292  -7.086
   82   2HD2  ASN  13          2HD2      ASN  13   0.662   9.898  -8.508
   83    H    ASP  14           H        ASP  14  -0.428   4.209  -5.964
   84    HA   ASP  14           HA       ASP  14   0.100   4.142  -3.089
   85   1HB   ASP  14          2HB       ASP  14  -1.098   2.336  -4.161
   86   2HB   ASP  14          1HB       ASP  14   0.188   2.115  -5.346
   87    H    GLN  15           H        GLN  15   2.057   4.922  -2.395
   88    HA   GLN  15           HA       GLN  15   4.515   4.164  -3.945
   89   1HB   GLN  15          2HB       GLN  15   3.601   6.613  -2.473
   90   2HB   GLN  15          1HB       GLN  15   5.330   6.272  -2.534
   91   1HG   GLN  15          2HG       GLN  15   5.465   6.635  -4.798
   92   2HG   GLN  15          1HG       GLN  15   3.833   6.036  -5.097
   93   1HE2  GLN  15          1HE2      GLN  15   2.081   7.562  -5.026
   94   2HE2  GLN  15          2HE2      GLN  15   2.326   9.228  -4.817
   95    H    CYS  16           H        CYS  16   3.330   2.396  -2.014
   96    HA   CYS  16           HA       CYS  16   4.765   2.710   0.535
   97   1HB   CYS  16          2HB       CYS  16   2.415   1.633  -0.142
   98   2HB   CYS  16          1HB       CYS  16   3.408   0.187  -0.327
   99    H    CYS  17           H        CYS  17   6.154   0.863   1.331
  100    HA   CYS  17           HA       CYS  17   8.347   0.328  -0.444
  101   1HB   CYS  17          2HB       CYS  17   7.447  -0.372   2.295
  102   2HB   CYS  17          1HB       CYS  17   8.596  -1.496   1.571
  103    H    LYS  18           H        LYS  18   8.275  -1.069  -2.152
  104    HA   LYS  18           HA       LYS  18   6.333  -3.304  -2.192
  105   1HB   LYS  18          2HB       LYS  18   7.884  -1.663  -4.069
  106   2HB   LYS  18          1HB       LYS  18   7.857  -3.370  -4.512
  107   1HG   LYS  18          2HG       LYS  18   5.230  -2.847  -3.742
  108   2HG   LYS  18          1HG       LYS  18   5.707  -1.395  -4.622
  109   1HD   LYS  18          2HD       LYS  18   6.538  -3.949  -5.870
  110   2HD   LYS  18          1HD       LYS  18   4.798  -3.665  -5.829
  111   1HE   LYS  18          2HE       LYS  18   4.930  -1.797  -7.211
  112   2HE   LYS  18          1HE       LYS  18   6.591  -1.420  -6.712
  113   1HZ   LYS  18          1HZ       LYS  18   5.787  -3.809  -8.293
  114   2HZ   LYS  18          2HZ       LYS  18   7.373  -3.384  -7.849
  115   3HZ   LYS  18          3HZ       LYS  18   6.506  -2.416  -8.942
  116    H    SER  19           H        SER  19   9.161  -3.107  -0.650
  117    HA   SER  19           HA       SER  19  10.828  -5.183  -1.706
  118   1HB   SER  19          2HB       SER  19  10.377  -4.012   1.050
  119   2HB   SER  19          1HB       SER  19  11.642  -5.194   0.721
  120    HG   SER  19           HG       SER  19  12.752  -3.704  -0.277
  121    H    SER  20           H        SER  20   8.124  -5.258   0.629
  122    HA   SER  20           HA       SER  20   8.261  -8.253   0.629
  123   1HB   SER  20          2HB       SER  20   7.763  -6.158   2.600
  124   2HB   SER  20          1HB       SER  20   6.477  -7.361   2.599
  125    HG   SER  20           HG       SER  20   7.842  -8.820   3.304
  126    H    ASN  21           H        ASN  21   7.021  -6.520  -1.508
  127    HA   ASN  21           HA       ASN  21   5.045  -6.419  -2.785
  128   1HB   ASN  21          2HB       ASN  21   4.870  -9.036  -1.276
  129   2HB   ASN  21          1HB       ASN  21   3.664  -8.581  -2.480
  130   1HD2  ASN  21          1HD2      ASN  21   6.671 -10.124  -2.105
  131   2HD2  ASN  21          2HD2      ASN  21   7.172 -10.077  -3.726
  132    H    LEU  22           H        LEU  22   4.562  -4.538  -1.167
  133    HA   LEU  22           HA       LEU  22   2.037  -5.164   0.335
  134   1HB   LEU  22          2HB       LEU  22   4.430  -3.429   0.918
  135   2HB   LEU  22          1HB       LEU  22   2.875  -3.063   1.665
  136    HG   LEU  22           HG       LEU  22   4.120  -5.819   1.778
  137   1HD1  LEU  22          1HD1      LEU  22   4.806  -5.182   4.103
  138   2HD1  LEU  22          2HD1      LEU  22   4.364  -3.515   3.736
  139   3HD1  LEU  22          3HD1      LEU  22   5.679  -4.293   2.855
  140   1HD2  LEU  22          1HD2      LEU  22   2.591  -5.830   3.865
  141   2HD2  LEU  22          2HD2      LEU  22   1.807  -5.918   2.288
  142   3HD2  LEU  22          3HD2      LEU  22   1.849  -4.390   3.167
  143    H    VAL  23           H        VAL  23   0.331  -4.285  -0.745
  144    HA   VAL  23           HA       VAL  23   0.730  -1.725  -2.262
  145    HB   VAL  23           HB       VAL  23  -1.495  -3.769  -2.540
  146   1HG1  VAL  23          1HG1      VAL  23  -1.450  -2.741  -4.907
  147   2HG1  VAL  23          2HG1      VAL  23  -0.467  -1.463  -4.193
  148   3HG1  VAL  23          3HG1      VAL  23  -2.106  -1.747  -3.607
  149   1HG2  VAL  23          1HG2      VAL  23  -0.117  -4.495  -4.593
  150   2HG2  VAL  23          2HG2      VAL  23   0.471  -5.031  -3.020
  151   3HG2  VAL  23          3HG2      VAL  23   1.241  -3.666  -3.831
  152    H    CYS  24           H        CYS  24  -1.225  -0.258  -2.208
  153    HA   CYS  24           HA       CYS  24  -2.232  -0.008   0.551
  154   1HB   CYS  24          2HB       CYS  24  -1.875   1.637  -1.854
  155   2HB   CYS  24          1HB       CYS  24  -3.393   1.967  -1.020
  156    H    SER  25           H        SER  25  -4.329  -0.438   1.192
  157    HA   SER  25           HA       SER  25  -6.033  -2.076  -0.495
  158   1HB   SER  25          2HB       SER  25  -5.699  -2.034   2.073
  159   2HB   SER  25          1HB       SER  25  -6.806  -0.665   2.065
  160    HG   SER  25           HG       SER  25  -8.147  -2.344   2.240
  161    H    ARG  26           H        ARG  26  -8.413  -1.464  -0.794
  162    HA   ARG  26           HA       ARG  26  -8.576   1.278  -1.933
  163   1HB   ARG  26          2HB       ARG  26  -9.991  -1.350  -2.233
  164   2HB   ARG  26          1HB       ARG  26 -10.854   0.120  -2.687
  165   1HG   ARG  26          2HG       ARG  26  -9.608   0.400  -4.552
  166   2HG   ARG  26          1HG       ARG  26  -8.104   0.083  -3.688
  167   1HD   ARG  26          2HD       ARG  26  -9.235  -2.425  -3.732
  168   2HD   ARG  26          1HD       ARG  26  -9.760  -1.761  -5.292
  169    HE   ARG  26           HE       ARG  26  -7.005  -2.365  -4.547
  170   1HH1  ARG  26          2HH1      ARG  26  -8.339  -2.397  -7.325
  171   2HH1  ARG  26          1HH1      ARG  26  -7.480  -1.113  -8.108
  172   1HH2  ARG  26          1HH2      ARG  26  -6.205   0.195  -5.150
  173   2HH2  ARG  26          2HH2      ARG  26  -6.268   0.358  -6.873
  174    H    LYS  27           H        LYS  27 -10.288  -0.832   0.389
  175    HA   LYS  27           HA       LYS  27 -12.143   1.315   1.179
  176   1HB   LYS  27          2HB       LYS  27 -11.607  -1.546   1.997
  177   2HB   LYS  27          1HB       LYS  27 -12.773  -0.545   2.862
  178   1HG   LYS  27          2HG       LYS  27 -14.237  -1.338   1.304
  179   2HG   LYS  27          1HG       LYS  27 -13.535  -0.080   0.287
  180   1HD   LYS  27          2HD       LYS  27 -12.469  -1.582  -1.040
  181   2HD   LYS  27          1HD       LYS  27 -11.975  -2.577   0.330
  182   1HE   LYS  27          2HE       LYS  27 -14.885  -2.575  -0.363
  183   2HE   LYS  27          1HE       LYS  27 -13.786  -3.460  -1.439
  184   1HZ   LYS  27          1HZ       LYS  27 -13.886  -3.733   1.522
  185   2HZ   LYS  27          2HZ       LYS  27 -12.845  -4.580   0.479
  186   3HZ   LYS  27          3HZ       LYS  27 -14.520  -4.851   0.416
  187    H    HIS  28           H        HIS  28  -9.232  -0.258   2.449
  188    HA   HIS  28           HA       HIS  28  -9.342   1.338   4.953
  189   1HB   HIS  28          2HB       HIS  28  -7.413  -0.766   3.914
  190   2HB   HIS  28          1HB       HIS  28  -7.398  -0.094   5.542
  191    HD1  HIS  28           HD1      HIS  28  -8.014  -3.154   4.689
  192    HD2  HIS  28           HD2      HIS  28 -10.802  -0.283   5.857
  193    HE1  HIS  28           HE1      HIS  28 -10.040  -4.422   5.527
  194    H    ALA  29           H        ALA  29  -7.554   1.151   1.916
  195    HA   ALA  29           HA       ALA  29  -6.049   2.665   0.918
  196   1HB   ALA  29          1HB       ALA  29  -7.799   4.184   2.247
  197   2HB   ALA  29          2HB       ALA  29  -6.376   4.885   1.477
  198   3HB   ALA  29          3HB       ALA  29  -6.369   4.558   3.209
  199    H    TRP  30           H        TRP  30  -5.472   1.051   3.755
  200    HA   TRP  30           HA       TRP  30  -2.867   2.321   4.362
  201   1HB   TRP  30          2HB       TRP  30  -2.970   1.062   6.361
  202   2HB   TRP  30          1HB       TRP  30  -4.652   1.460   6.039
  203    HD1  TRP  30           HD1      TRP  30  -5.224  -0.753   3.817
  204    HE1  TRP  30           HE1      TRP  30  -5.413  -3.224   4.517
  205    HE3  TRP  30           HE3      TRP  30  -2.721  -0.600   8.262
  206    HZ2  TRP  30           HZ2      TRP  30  -4.607  -4.916   6.680
  207    HZ3  TRP  30           HZ3      TRP  30  -2.446  -2.653   9.621
  208    HH2  TRP  30           HH2      TRP  30  -3.385  -4.809   8.838
  209    H    CYS  31           H        CYS  31  -0.921   0.866   4.523
  210    HA   CYS  31           HA       CYS  31  -0.578  -0.664   2.067
  211   1HB   CYS  31          2HB       CYS  31   1.104  -0.049   4.502
  212   2HB   CYS  31          1HB       CYS  31   1.705  -1.058   3.188
  213    H    LYS  32           H        LYS  32  -1.073  -2.790   1.833
  214    HA   LYS  32           HA       LYS  32  -0.740  -4.658   4.123
  215   1HB   LYS  32          2HB       LYS  32  -3.052  -5.500   3.761
  216   2HB   LYS  32          1HB       LYS  32  -3.048  -3.801   4.229
  217   1HG   LYS  32          2HG       LYS  32  -3.578  -3.069   2.061
  218   2HG   LYS  32          1HG       LYS  32  -3.024  -4.569   1.317
  219   1HD   LYS  32          2HD       LYS  32  -5.014  -5.456   3.009
  220   2HD   LYS  32          1HD       LYS  32  -5.651  -3.907   2.458
  221   1HE   LYS  32          2HE       LYS  32  -6.359  -5.109   0.640
  222   2HE   LYS  32          1HE       LYS  32  -4.671  -4.974   0.110
  223   1HZ   LYS  32          1HZ       LYS  32  -5.379  -7.295   0.192
  224   2HZ   LYS  32          2HZ       LYS  32  -5.773  -7.133   1.836
  225   3HZ   LYS  32          3HZ       LYS  32  -4.156  -6.996   1.329
  226    H    TYR  33           H        TYR  33  -1.410  -6.992   3.182
  227    HA   TYR  33           HA       TYR  33   0.240  -7.372   0.762
  228   1HB   TYR  33          2HB       TYR  33  -1.179  -9.241   2.692
  229   2HB   TYR  33          1HB       TYR  33  -0.144  -9.790   1.374
  230    HD1  TYR  33           HD1      TYR  33   2.282  -8.960   1.307
  231    HD2  TYR  33           HD2      TYR  33  -0.249  -8.542   4.755
  232    HE1  TYR  33           HE1      TYR  33   4.280  -8.604   2.732
  233    HE2  TYR  33           HE2      TYR  33   1.750  -8.187   6.178
  234    HH   TYR  33           HH       TYR  33   4.497  -9.017   5.731
  235    H    GLU  34           H        GLU  34  -1.223  -6.373  -0.806
  236    HA   GLU  34           HA       GLU  34  -3.886  -7.608  -1.215
  237   1HB   GLU  34          2HB       GLU  34  -2.977  -5.085  -1.424
  238   2HB   GLU  34          1HB       GLU  34  -2.683  -5.609  -3.082
  239   1HG   GLU  34          2HG       GLU  34  -5.241  -6.586  -2.469
  240   2HG   GLU  34          1HG       GLU  34  -5.202  -4.961  -1.783
  241    H    ILE  35           H        ILE  35  -4.455  -8.661  -3.215
  242    HA   ILE  35           HA       ILE  35  -2.411 -10.367  -4.345
  243    HB   ILE  35           HB       ILE  35  -4.305 -11.068  -5.822
  244   1HG1  ILE  35          2HG1      ILE  35  -6.390  -9.567  -4.512
  245   2HG1  ILE  35          1HG1      ILE  35  -5.243  -8.449  -5.246
  246   1HG2  ILE  35          1HG2      ILE  35  -5.712 -11.936  -4.037
  247   2HG2  ILE  35          2HG2      ILE  35  -5.120 -10.700  -2.927
  248   3HG2  ILE  35          3HG2      ILE  35  -4.030 -11.959  -3.506
  249   1HD1  ILE  35          1HD1      ILE  35  -6.961  -9.031  -6.880
  250   2HD1  ILE  35          2HD1      ILE  35  -6.645 -10.749  -6.637
  251   3HD1  ILE  35          3HD1      ILE  35  -5.419  -9.724  -7.382
  252   1HN   NH2  36          1HN       NH2  36  -2.551  -6.932  -6.476
  253   2HN   NH2  36          2HN       NH2  36  -2.747  -7.174  -4.727