*HEADER    TOXIN                                   22-DEC-03   1RYV              
*TITLE     THREE DIMENSIONAL SOLUTION STRUCTURE OF THE K27A 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   06-JAN-04 1RYV    0                                                

!E1
assign (resid 1 and name HA )  (resid 1 and name HB#) 5.0 3.2 1.0

!C2?
assign (resid 2 and name HA )  (resid 2 and name HB#)  2.7 0.9 1.0  !!0.585E+07 or 0.605E+07
assign (resid 2 and name HA )  (resid 3 and name HG)   3.5 1.7 0.0  !!0.113E+07
assign (resid 2 and name HA )  (resid 15 and name HB#) 5.0 3.2 1.0
assign (resid 2 and name HN )  (resid 2 and name HA)   3.5 1.7 0.0  !!0.186E+08/3
assign (resid 2 and name HN )  (resid 2 and name HB#)  3.5 1.7 1.0  !!0.408E+07 or 0.798E+07/4
assign (resid 2 and name HN )  (resid 1 and name HA )  2.7 0.9 0.0  !!0.611E+07 
assign (resid 2 and name HN )  (resid 1 and name HB#)  3.5 1.7 1.0  !!0.102E+07

!L3
assign (resid 3 and name HN )  (resid 3 and name HA)   3.5 1.7 0.0  !!0.366E+07/2?
assign (resid 3 and name HN )  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.527E+07/2 or 0.153E+07
assign (resid 3 and name HN )  (resid 3 and name HG)   2.7 0.9 0.0  !!0.501E+07
assign (resid 3 and name HN )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.688E+06 or 0.682E+06
assign (resid 3 and name HN )  (resid 2 and name HB#)  3.5 1.7 1.0  !!0.798E+07/5?
assign (resid 3 and name HN )  (resid 2 and name HA )  2.7 0.9 0.0  !!0.186E+08/3
assign (resid 3 and name HN )  (resid 15 and name HB#) 5.0 3.2 1.0  !!0.485E+06
assign (resid 3 and name HN )  (resid 17 and name HA ) 5.0 3.2 0.0  !!0.148E+06
assign (resid 3 and name HA )  (resid 3 and name HB#)  2.7 0.9 1.0  !!0.708E+07/2 or 0.548E+07
assign (resid 3 and name HA )  (resid 3 and name HG)   3.5 1.7 0.0  !!0.861E+07/3?
assign (resid 3 and name HA )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.112E+08/6?
assign (resid 3 and name HB#)  (resid 3 and name HD#)  5.0 3.2 3.4  !!0.845E+06 or 0.925E+06
assign (resid 3 and name HG )  (resid 3 and name HD#)  3.5 1.7 2.4  !!0.240E+07 or 0.342E+07

!G4
assign (resid 4 and name HN )  (resid 4 and name HA#)  2.7 0.9 1.0  !!0.213E+07 or 0.100E+08/2?
assign (resid 4 and name HN )  (resid 3 and name HA)   2.7 0.9 0.0  !!0.132E+08/2?
assign (resid 4 and name HN )  (resid 3 and name HB#)  3.5 1.7 1.0  !!0.118E+07?
assign (resid 4 and name HN )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.156E+06 or 0.718E+06
assign (resid 4 and name HN )  (resid 7 and name HB#)  5.0 3.2 1.0  !!0.542E+06 or 0.576E+06
assign (resid 4 and name HN )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.596E+06 or 0.252E+07?
assign (resid 4 and name HA#)  (resid 22 and name HD#) 5.0 3.2 3.4  !!0.412E+07/3? or 0.111E+07
 

!F5
assign (resid 5 and name HN )  (resid 5 and name HA)   3.5 1.7 0.0  !!0.722E+07/2
assign (resid 5 and name HN )  (resid 5 and name HB#)  2.7 0.9 0.0  !!0.586E+07 or 0.570E+07
assign (resid 5 and name HN )  (resid 4 and name HA#)  2.7 0.9 1.0  !!0.572E+07 or 0.722E+07/2?
assign (resid 5 and name HN )  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.179E+07 or 0.618E+06
assign (resid 5 and name HD# ) (resid 5 and name HA)   3.5 1.7 2.4  !!0.437E+07/2
assign (resid 5 and name HD# ) (resid 5 and name HB#)  3.5 1.7 3.4  !!0.561E+07 or 0.748E+07/2
assign (resid 5 and name HD# ) (resid 22 and name HD#) 5.0 3.2 4.8  !!0.538E+07 or 0.433E+06/6
assign (resid 5 and name HD# ) (resid 32 and name HA)  3.5 1.7 2.4  !!0.154E+08
assign (resid 5 and name HE# ) (resid 32 and name HA)  3.5 1.7 2.4  !!0.146E+08
assign (resid 5 and name HE# ) (resid 32 and name HB#) 5.0 3.2 3.4  !!0.351E+07 or 0.137E+07 (d2o)
assign (resid 5 and name HE# ) (resid 32 and name HG#) 5.0 3.2 3.4  !!0.246E+07
assign (resid 5 and name HE# ) (resid 6 and name HA#)  5.0 3.2 3.4  !!0.724E+06/2
assign (resid 5 and name HE# ) (resid 5 and name HA)   5.0 3.2 2.4  !!0.724E+06/2
assign (resid 5 and name HE# ) (resid 5 and name HB#)  5.0 3.2 3.4  !!0.564E+06 or 0.616E+06/2
assign (resid 5 and name HE# ) (resid 22 and name HD#) 5.0 3.2 4.8  !!0.878E+06
assign (resid 5 and name HE# ) (resid 5  and name HD#) 2.7 0.9 4.8 
assign (resid 5 and name HN )  (resid 5  and name HD#) 5.0 3.2 2.4  !!0.611E+06
assign (resid 5 and name HA )  (resid 5 and name HB#)  3.5 1.7 1.0  !!0.223E+07
assign (resid 5 and name HA )  (resid 31 and name HB#) 5.0 3.2 1.0  !!0.465E+06 or 0.819E+06
assign (resid 5 and name HA )  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.223E+07 or 0.351E+07
assign (resid 5 and name HB#)  (resid 22 and name HD#) 5.0 3.2 3.4  !!0.216E+07

!G6
assign (resid 6 and name HN )  (resid 6 and name HA#)  3.5 1.7 1.0  !!0.139E+08 or 0.654E+07
assign (resid 6 and name HN )  (resid 5 and name HA )  2.7 0.9 0.0
assign (resid 6 and name HN )  (resid 5 and name HB#)  5.0 3.2 1.0  !!0.236E+05
assign (resid 6 and name HN )  (resid 31 and name HB#) 3.5 1.7 1.0  !!0.527E+07/2? or 0.513E+07/2?
assign (resid 6 and name HN )  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.204E+06 or 0.772E+06
assign (resid 6 and name HN )  (resid 5 and name HD#)  5.0 3.2 2.4  !!0.178E+07/2
assign (resid 6 and name HN )  (resid 30 and name HE3) 5.0 3.2 0.0  !!0.665E+06
assign (resid 6 and name HA#)  (resid 22 and name HD#) 5.0 3.2 3.4  !!0.110E+07 

!K7
assign (resid 7 and name HN )  (resid 7 and name HA)   3.5 1.7 0.0  !!0.252E+07 
assign (resid 7 and name HN )  (resid 7 and name HB#)  2.7 0.9 1.0  !!0.523E+07 or 0.137E+07 
assign (resid 7 and name HN )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.736E+06 or 0.380E+07
assign (resid 7 and name HN )  (resid 7 and name HD#)  5.0 3.2 1.0  !!0.347E+05
assign (resid 7 and name HN )  (resid 3 and name HB#)  5.0 3.2 1.0  !!0.115E+06
assign (resid 7 and name HN )  (resid 5 and name HA )  5.0 3.2 0.0
assign (resid 7 and name HN )  (resid 6 and name HA#)  3.5 1.7 1.0  !!0.174E+07 or 0.919E+06? 
assign (resid 7 and name HN )  (resid 31 and name HB#) 3.5 1.7 1.0  !!0.182E+07 or 0.469E+06
assign (resid 7 and name HN )  (resid 6 and name HN)   3.5 1.7 0.0  !!0.357E+07
assign (resid 7 and name HA )  (resid 7 and name HB#)  3.5 1.7 1.0  !!0.195E+07 or 0.344E+07/2?
assign (resid 7 and name HA )  (resid 7 and name HG#)  3.5 1.7 1.0  !!0.102E+07/2? or 0.157E+07
assign (resid 7 and name HA )  (resid 7 and name HD#)  3.5 1.7 1.0  !!0.539E+07/2?
assign (resid 7 and name HB#)  (resid 7 and name HG#)  5.0 3.2 2.0  !!0.990E+06

!G8
assign (resid 8 and name HN )  (resid 8 and name HA#)  2.7 0.9 1.0  !!0.172E+07 or 0.561E+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  !!0.110E+08
assign (resid 8 and name HN )  (resid 7 and name HB#)  3.5 1.7 1.0  !!0.511E+06 or 0.198E+07
assign (resid 8 and name HN )  (resid 7 and name HG#)  5.0 3.2 1.0  !!0.281E+06
assign (resid 8 and name HN )  (resid 7 and name HD#)  5.0 3.2 1.0  !!0.338E+06
assign (resid 8 and name HA#)  (resid 30 and name HB#) 3.5 1.7 2.0  !!0.576E+06 or 0.130E+07

!C9
assign (resid 9 and name HN )  (resid 9 and name HA )  3.5 1.7 0.0  !!0.184E+07 (d2o)
assign (resid 9 and name HN )  (resid 9 and name HB#)  5.0 3.2 1.0  !!0.138E+07/2? or 0.703E+06
assign (resid 9 and name HN )  (resid 8 and name HA#)  2.7 0.9 1.0  !!0.304E+07 or 0.844E+07/2
assign (resid 9 and name HN )  (resid 29 and name HB#) 5.0 3.2 1.0  !!0.271E+07/3? or 0.309E+06
assign (resid 9 and name HN )  (resid 30 and name HA)  3.5 1.7 0.0  !!0.338E+07
assign (resid 9 and name HA )  (resid 9 and name HB#)  2.7 0.9 1.0  !!0.464E+08 or 0.404E+08 (d2o)
assign (resid 9 and name HA )  (resid 3 and name HD#)  5.0 3.2 2.4  !!0.162E+08 (d2o)

!N10
assign (resid 10 and name HN ) (resid 10 and name HA)  3.5 1.7 0.0  !!
assign (resid 10 and name HN ) (resid 10 and name HB#) 3.5 1.7 1.0  !!0.185E+07 or 0.689E+07/2
assign (resid 10 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.300E+06
assign (resid 10 and name HN ) (resid 9  and name HB#) 3.5 1.7 1.0  !!0.689E+07/2
assign (resid 10 and name HN ) (resid 11 and name HD#) 5.0 3.2 1.0  !!0.420E+06
assign (resid 10 and name HD2#)(resid 10 and name HB#) 3.5 1.7 2.0  !!0.225E+07 or 0.286E+07
assign (resid 10 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0  !!0.133E+07
assign (resid 10 and name HA ) (resid 10 and name HB#) 3.5 1.7 1.0  !!0.264E+07 or 0.444E+07
assign (resid 10 and name HA ) (resid 11 and name HD#) 2.7 0.9 1.0  !!0.680E+07 or 0.925E+07
assign (resid 10 and name HA ) (resid 11 and name HB#) 5.0 3.2 1.0  !!0.632E+06
assign (resid 10 and name HA ) (resid 29 and name HB#) 5.0 3.2 1.0  !!0.159E+07 (d2o)
assign (resid 10 and name HA ) (resid 29 and name HG#) 5.0 3.2 1.0  !!0.220E+07 (d2o)

!P11
assign (resid 11 and name HA ) (resid 11 and name HB#) 2.7 0.9 1.0  !!0.914E+07/2?
assign (resid 11 and name HA ) (resid 11 and name HG#) 3.5 1.7 1.0
assign (resid 11 and name HA ) (resid 14 and name HB#) 5.0 3.2 1.0  !!0.433E+07 (d2o)
assign (resid 11 and name HA ) (resid 24 and name HB#) 2.7 0.9 1.0  !!0.149E+07 or 0.789E+07
assign (resid 11 and name HB# )(resid 11 and name HD#) 3.5 1.7 2.0  !!0.461E+07/2
assign (resid 11 and name HD# )(resid 11 and name HG#) 3.5 1.7 2.0  !!0.109E+07 or 0.461E+07/2
assign (resid 11 and name HD# )(resid 29 and name HG#) 3.5 1.7 2.0  !!0.104E+07

!S12
assign (resid 12 and name HN ) (resid 12 and name HA)  3.5 1.7 0.0  !!0.163E+07
assign (resid 12 and name HN ) (resid 12 and name HB#) 3.5 1.7 1.0  !!0.647E+07/2
assign (resid 12 and name HN ) (resid 10 and name HA)  5.0 3.2 0.0  !!0.727E+06
assign (resid 12 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!
assign (resid 12 and name HN ) (resid 11 and name HB#) 3.5 1.7 1.0  !!0.210E+07/2
assign (resid 12 and name HN ) (resid 11 and name HG#) 3.5 1.7 1.0
assign (resid 12 and name HA ) (resid 12 and name HB#) 3.5 1.7 1.0  !!0.318E+07 or 0.149E+07


!N13
assign (resid 13 and name HN ) (resid 13 and name HA)  3.5 1.7 0.0  !!0.211E+07
assign (resid 13 and name HN ) (resid 13 and name HB#) 3.5 1.7 1.0  !!0.302E+07
!assign (resid 13 and name HN ) (resid 10 and name HA)  5.0 3.2 0.0
assign (resid 13 and name HN ) (resid 10 and name HB#) 3.5 1.7 1.0  !!0.122E+07
assign (resid 13 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.141E+07/3?
assign (resid 13 and name HN ) (resid 12 and name HA)  5.0 3.2 0.0  !!0.928E+06
assign (resid 13 and name HN ) (resid 12 and name HB#) 5.0 3.2 1.0  !!0.141E+07/3?  
assign (resid 13 and name HN ) (resid 14 and name HA)  5.0 3.2 0.0  !!0.495E+06
assign (resid 13 and name HN ) (resid 14 and name HB#) 5.0 3.2 1.0  !!0.165E+06
assign (resid 13 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0  !!0.334E+07
assign (resid 13 and name HN ) (resid 12 and name HN)  3.5 1.7 0.0  !!0.196E+07
assign (resid 13 and name HA ) (resid 13 and name HB#) 2.7 0.9 1.0  !!0.567E+07

!D14
assign (resid 14 and name HN ) (resid 14 and name HA)  3.5 1.7 0.0  !!0.175E+07
assign (resid 14 and name HN ) (resid 14 and name HB#) 2.7 0.9 1.0  !!0.667E+07 or 0.585E+07
assign (resid 14 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.352E+06
assign (resid 14 and name HN ) (resid 13 and name HA)  2.7 0.9 0.0  !!0.688E+07
assign (resid 14 and name HN ) (resid 13 and name HB#) 5.0 3.2 1.0  !!0.204E+06 
assign (resid 14 and name HN ) (resid 13 and name HN)  3.5 1.7 0.0  !!0.192E+07
assign (resid 14 and name HA ) (resid 14 and name HB#) 2.7 0.9 1.0  !!0.335E+07 or 0.633E+07
assign (resid 14 and name HA ) (resid 24 and name HB#) 5.0 3.2 1.0  !!0.491E+07 or 0.921E+06 (d2o)

!G15
assign (resid 15 and name HN ) (resid 15 and name HA)  3.5 1.7 0.0  !!0.844E+07/2?
assign (resid 15 and name HN ) (resid 15 and name HB#) 3.5 1.7 1.0  !!0.326E+07 or 0.163E+07
assign (resid 15 and name HN ) (resid 15 and name HG#) 5.0 3.2 1.0  !!0.271E+07/3?
assign (resid 15 and name HN ) (resid 14 and name HA)  2.7 0.9 0.0  !!0.933E+07
assign (resid 15 and name HN ) (resid 3  and name HD#) 5.0 3.2 2.4  !!0.500E+06/3
assign (resid 15 and name HE2#)(resid 15 and name HG#) 5.0 3.2 2.0  !!0.917E+06
assign (resid 15 and name HA ) (resid 15 and name HB#) 3.5 1.7 1.0  !!0.436E+07 or 0.184E+07
assign (resid 15 and name HA ) (resid 15 and name HG#) 3.5 1.7 1.0  !!0.567E+06 or 0.186E+07
assign (resid 15 and name HG#) (resid 15 and name HB#) 3.5 1.7 2.0  !!0.139E+07 

!C16
assign (resid 16 and name HN ) (resid 16 and name HA)  3.5 1.7 0.0  !!0.197E+07
assign (resid 16 and name HN ) (resid 16 and name HB#) 2.7 0.9 1.0  !!0.620E+07 or 0.137E+07
assign (resid 16 and name HN ) (resid 3  and name HB#) 5.0 3.2 1.0
assign (resid 16 and name HN)  (resid 3  and name HD#) 5.0 3.2 2.4  !!0.220E+06
assign (resid 16 and name HN ) (resid 15 and name HA)  3.5 1.7 0.0  !!0.164E+07
assign (resid 16 and name HN ) (resid 15 and name HB#) 5.0 3.2 1.0  !!0.884E+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  !!0.955E+06
assign (resid 16 and name HN)  (resid 24 and name HB#) 5.0 3.2 1.0  !!0.636E+06
assign (resid 16 and name HN ) (resid 15 and name HN)  3.5 1.7 0.0  !!0.334E+07
assign (resid 16 and name HA ) (resid 16 and name HB#) 3.5 1.7 1.0  !!0.139E+07 or 0.269E+07
assign (resid 16 and name HA ) (resid 3  and name HB#) 3.5 1.7 1.0  !!0.260E+07 or 0.927E+07
!assign (resid 16 and name HA)  (resid 3 and name HD# ) 5.0 3.2 2.4  !!0.134E+07
assign (resid 16 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0  !!0.361E+07 or 0.451E+07
assign (resid 16 and name HB#) (resid 22 and name HD#) 5.0 3.2 2.0  !!0.496E+06 or 0.504E+06


!C17
assign (resid 17 and name HN ) (resid 17 and name HA)  3.5 1.7 0.0  !!0.230E+07
assign (resid 17 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.287E+07 or 0.390E+07
assign (resid 17 and name HN ) (resid 16 and name HA)  2.7 0.9 0.0  !!0.768E+07
assign (resid 17 and name HN ) (resid 16 and name HB#) 3.5 1.7 1.0  !!0.178E+07 
assign (resid 17 and name HN)  (resid 2 and name HB#)  5.0 3.2 1.0  !!0.371E+06
assign (resid 17 and name HN)  (resid 3 and name HB#)  5.0 3.2 1.0  !!0.178E+07/2 or 0.393E+06
assign (resid 17 and name HN)  (resid 4 and name HA#)  5.0 3.2 1.0  !!0.276E+06
assign (resid 17 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4  !!0.186E+07/3
assign (resid 17 and name HN)  (resid 22 and name HB#) 5.0 3.2 1.0  !!0.178E+07/2
assign (resid 17 and name HN ) (resid 3  and name HN)  5.0 3.2 0.0  !!0.808E+06
assign (resid 17 and name HA ) (resid 17 and name HB#) 2.7 0.9 1.0  !!0.145E+08 or 0.195E+07 or 0.958E+07/2?
assign (resid 17 and name HA ) (resid 2  and name HB#) 3.5 1.7 1.0  !!0.229E+07 or 0.958E+07/2?
assign (resid 17 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.180E+07

!k18
assign (resid 18 and name HN ) (resid 18 and name HA)  3.5 1.7 0.0  !!0.122E+08/2? 
assign (resid 18 and name HN ) (resid 18 and name HB#) 2.7 0.9 1.0  !!0.495E+07
assign (resid 18 and name HN ) (resid 18 and name HG#) 3.5 1.7 1.0  !!0.404E+07
assign (resid 18 and name HN ) (resid 17 and name HA ) 2.7 0.9 0.0  !!0.920E+07
assign (resid 18 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.141E+07 or 290E+06
assign (resid 18 and name HN ) (resid 2  and name HB#) 5.0 3.2 1.0
assign (resid 18 and name HA ) (resid 18 and name HB#) 2.7 0.9 1.0  !!0.124E+08/2
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
assign (resid 18 and name HD#) (resid 18 and name HE#) 3.5 1.7 2.0  !!0.187E+07?
assign (resid 18 and name HB#) (resid 18 and name HG#) 5.0 3.2 2.0  !!0.565E+06

!S19
assign (resid 19 and name HN ) (resid 19 and name HA)  3.5 1.7 0.0  !!0.419E+07?
assign (resid 19 and name HN ) (resid 19 and name HB#) 3.5 1.7 1.0  !!0.308E+07/2
assign (resid 19 and name HN ) (resid 17 and name HA)  5.0 3.2 0.0  !!0.628E+06
assign (resid 19 and name HN ) (resid 17 and name HB#) 5.0 3.2 1.0  !!0.639E+06 or 0.232E+06
assign (resid 19 and name HN ) (resid 18 and name HB#) 5.0 3.2 1.0  !!0.854E+06
assign (resid 19 and name HN ) (resid 18 and name HG#) 5.0 3.2 1.0 
assign (resid 19 and name HA ) (resid 19 and name HB#) 3.5 1.7 1.0  !!0.135E+07 or 0.320E+07

!S20
assign (resid 20 and name HN ) (resid 20 and name HB#) 3.5 1.7 1.0  !!0.183E+07 or 0.271E+07
assign (resid 20 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0  !!0.141E+07 or 0.953E+06
!assign (resid 20 and name HN ) (resid 18 and name HA)  5.0 3.2 0.0
assign (resid 20 and name HN ) (resid 22 and name HG)  5.0 3.2 0.0  !!0.507E+06
assign (resid 20 and name HN ) (resid 19 and name HN)  3.5 1.7 0.0  !!0.248E+07
!assign (resid 20 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0  !!0.344E+07/2?
assign (resid 20 and name HB#) (resid 22 and name HG)  3.5 1.7 1.0  !!0.102E+07 or 0.295E+07?
assign (resid 20 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.777E+06 or 0.194E+07
assign (resid 20 and name HB#) (resid 17 and name HB#) 5.0 3.2 2.0  !!0.676E+06


!N21
assign (resid 21 and name HN ) (resid 21 and name HA)  2.7 0.9 0.0  !!0.124E+08
assign (resid 21 and name HN ) (resid 21 and name HB#) 5.0 3.2 1.0  !!0.513E+06 or 0.178E+06
assign (resid 21 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0  !!0.316E+06
assign (resid 21 and name HN ) (resid 20 and name HN)  2.7 0.9 0.0  !!0.484E+07
assign (resid 21 and name HN ) (resid 22 and name HN)  3.5 1.7 0.0  !!0.229E+07
assign (resid 21 and name HD2#)(resid 21 and name HB#) 5.0 3.2 2.0  !!0.692E+06
assign (resid 21 and name HA ) (resid 21 and name HB#) 2.7 0.9 1.0  !!0.508E+07? or 0.217E+07

!L22
assign (resid 22 and name HN ) (resid 22 and name HA)  3.5 1.7 0.0  !!0.201E+07 
assign (resid 22 and name HN ) (resid 22 and name HB#) 2.7 0.9 1.0  !!0.500E+07 or 0.126E+07 
assign (resid 22 and name HN ) (resid 22 and name HG)  3.5 1.7 0.0  !!0.368E+07
assign (resid 22 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.481E+06 or 0.745E+06
assign (resid 22 and name HN ) (resid 18 and name HA)  3.5 1.7 0.0  !!0.556E+07/2
assign (resid 22 and name HN ) (resid 21 and name HA)  3.5 1.7 0.0  !!0.556E+07/2
assign (resid 22 and name HA ) (resid 22 and name HB#) 2.7 0.9 1.0  !!0.433E+07 or 0.212E+07 or 0.527E+07
assign (resid 22 and name HA ) (resid 22 and name HG ) 3.5 1.7 0.0  !!0.436E+07 or 0.174E+07
assign (resid 22 and name HA ) (resid 22 and name HD#) 3.5 1.7 2.4  !!0.538E+07/3
assign (resid 22 and name HG ) (resid 22 and name HB#) 3.5 1.7 1.0  !!0.147E+07 
assign (resid 22 and name HG ) (resid 22 and name HD#) 3.5 1.7 2.4  !!0.586E+07/3 or 0.206E+07
assign (resid 22 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4  !!0.176E+07


!V23
assign (resid 23 and name HN ) (resid 23 and name HA)  3.5 1.7 0.0  !!0.172E+07
assign (resid 23 and name HN ) (resid 23 and name HB)  5.0 3.2 0.0  !!0.168E+07?
assign (resid 23 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4  !!0.464E+07/6
assign (resid 23 and name HN ) (resid 22 and name HA)  2.7 0.9 0.0  !!0.115E+08?/2
assign (resid 23 and name HN ) (resid 22 and name HB#) 5.0 3.2 1.0  !!
assign (resid 23 and name HN ) (resid 22 and name HG)  5.0 3.2 0.0  !!0.519E+06
assign (resid 23 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.131E+07/3
assign (resid 23 and name HN)  (resid 16 and name HB#) 5.0 3.2 1.0  !!0.831E+06 or 0.200E+07 (d2o)
assign (resid 23 and name HN)  (resid 31 and name HB#) 5.0 3.2 1.0  !!0.186E+07 (d2o)
assign (resid 23 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0 
assign (resid 23 and name HA)  (resid 23 and name HB)  2.7 0.9 0.0  !!0.124E+08/2
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  !!0.282E+07

!C24
assign (resid 24 and name HN ) (resid 24 and name HA)  5.0 3.2 0.0  !!0.814E+06
assign (resid 24 and name HN ) (resid 24 and name HB#) 3.5 1.7 1.0  !!0.427E+07 or 0.442E+07
assign (resid 24 and name HN ) (resid 11 and name HA)  5.0 3.2 0.0  !!0.307E+06
assign (resid 24 and name HN ) (resid 16 and name HB#) 5.0 3.2 1.0  !!0.403E+06
assign (resid 24 and name HN ) (resid 23 and name HA)  2.7 0.9 0.0  !!0.867E+07
assign (resid 24 and name HN ) (resid 23 and name HB)  3.5 1.7 0.0  !!0.156E+07
assign (resid 24 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4  !!0.170E+07 /6
assign (resid 24 and name HA ) (resid 24 and name HB#) 3.5 1.7 1.0  !!0.455E+07 or 0.303E+07
assign (resid 24 and name HA ) (resid 31 and name HA)  3.5 1.7 0.0  !!0.152E+06 or 0.190E+08 (d2o)

!S25
assign (resid 25 and name HN ) (resid 25 and name HA)  3.5 1.7 0.0  !!0.132E+08/2?
assign (resid 25 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.263E+07 or 0.100E+08/2?
assign (resid 25 and name HN ) (resid 24 and name HA)  2.7 0.9 0.0  !!0.701E+07
assign (resid 25 and name HN ) (resid 24 and name HB#) 5.0 3.2 1.0  !!0.403E+06 or 0.384E+06
assign (resid 25 and name HN ) (resid 31 and name HA)  5.0 3.2 0.0  !!0.284E+06
!assign (resid 25 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0
assign (resid 25 and name HN ) (resid 30 and name HN)  3.5 1.7 0.0  !!0.126E+07
assign (resid 25 and name HA ) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.529E+06 or 0.538E+06
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#) 3.5 1.7 2.0  !!0.155E+07 or 0.544E+06
assign (resid 25 and name HB#) (resid 32 and name HD#) 3.5 1.7 2.0  !!0.169E+07
assign (resid 25 and name HB#) (resid 28 and name HB#) 5.0 3.2 2.0  !!0.173E+07/2

!R26
assign (resid 26 and name HN ) (resid 26 and name HA)  3.5 1.7 0.0  !!0.254E+07
assign (resid 26 and name HN ) (resid 26 and name HB#) 2.7 0.9 1.0  !!0.666E+07 
assign (resid 26 and name HN ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.186E+06 
assign (resid 26 and name HN ) (resid 25 and name HA ) 2.7 0.9 0.0  !!0.122E+08/2?
assign (resid 26 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0  !!
assign (resid 26 and name HA ) (resid 26 and name HB#) 2.7 0.9 1.0  !!0.126E+08/2?
assign (resid 26 and name HA ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.130E+06
assign (resid 26 and name HD#) (resid 26 and name HB#) 3.5 1.7 2.0  !!0.332E+07/2?
assign (resid 26 and name HD#) (resid 26 and name HG#) 3.5 1.7 2.0  !!0.137E+07 or 0.332E+07/2?

!A27
assign (resid 27 and name HN ) (resid 27 and name HA)  3.5 1.7 0.0  !!0.284E+07
assign (resid 27 and name HN ) (resid 27 and name HB#) 3.5 1.7 1.0  !!0.464E+07/3
assign (resid 27 and name HN ) (resid 26 and name HA)  5.0 3.2 0.0  !!0.358E+06
assign (resid 27 and name HN ) (resid 26 and name HB#) 3.5 1.7 1.0  !!0.209E+07
assign (resid 27 and name HN ) (resid 26 and name HG#) 5.0 3.2 1.0  !!0.208E+06
assign (resid 27 and name HN ) (resid 25 and name HA)  5.0 3.2 0.0  !!0.119E+06
assign (resid 27 and name HN ) (resid 26 and name HN)  3.5 1.7 0.0  !!0.257E+07
assign (resid 27 and name HN ) (resid 28 and name HN)  3.5 1.7 0.0  !!0.158E+07
assign (resid 27 and name HA ) (resid 27 and name HB#) 3.5 1.7 1.0  !!0.816E+07/3

!H28
assign (resid 28 and name HN ) (resid 28 and name HA)  3.5 1.7 0.0  !!0.105E+07
assign (resid 28 and name HN ) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.323E+07/2
assign (resid 28 and name HN ) (resid 27 and name HA)  3.5 1.7 0.0  !!0.126E+07
assign (resid 28 and name HN ) (resid 27 and name HB#) 5.0 3.2 1.0  !!0.165E+07/3
assign (resid 28 and name HN ) (resid 29 and name HA)  5.0 3.2 0.0  !!0.157E+07/2
assign (resid 28 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.157E+07/2
assign (resid 28 and name HD2) (resid 28 and name HA ) 5.0 3.2 0.0 
assign (resid 28 and name HD2) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.355E+07/2
!assign (resid 28 and name HD2) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.344E+06 
assign (resid 28 and name HD2) (resid 27 and name HB#) 5.0 3.2 1.0  !!0.220E+06/3
!assign (resid 28 and name HD2) (resid 32 and name HB#) 5.0 3.2 1.0
!assign (resid 28 and name HD2) (resid 32 and name HG#) 5.0 3.2 1.0
assign (resid 28 and name HE1) (resid 28 and name HD2) 5.0 3.2 0.0  !!0.366E+06
assign (resid 28 and name HN ) (resid 29 and name HN)  3.5 1.7 0.0  !!0.303E+07
assign (resid 28 and name HA ) (resid 28 and name HB#) 3.5 1.7 1.0  !!0.861E+07/3?

!R29
assign (resid 29 and name HN ) (resid 29 and name HA)  2.7 0.9 0.0  !!0.111E+08
assign (resid 29 and name HN ) (resid 29 and name HB#) 3.5 1.7 1.0  !!0.128E+07 or 0.146E+07
assign (resid 29 and name HN ) (resid 29 and name HG#) 3.5 1.7 1.0  !!0.208E+07 or 0.121E+07
assign (resid 29 and name HN ) (resid 28 and name HA)  3.5 1.7 0.0  !!
assign (resid 29 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.102E+07/2
assign (resid 29 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0  !!
assign (resid 29 and name HH#) (resid 29 and name HB#) 5.0 3.2 2.0  !!0.447E+06
assign (resid 29 and name HH#) (resid 29 and name HD#) 3.5 1.7 2.0  !!0.227E+07
assign (resid 29 and name HN ) (resid 30 and name HN)  3.5 1.7 0.0  !!0.175E+07
assign (resid 29 and name HA ) (resid 29 and name HB#) 2.7 0.9 1.0  !!0.635E+07 or 0.940E+07/3?
assign (resid 29 and name HA ) (resid 29 and name HG#) 3.5 1.7 1.0  !!0.181E+07 or 0.615E+07/2
assign (resid 29 and name HA ) (resid 29 and name HD#) 5.0 3.2 1.0  !!0.577E+06
assign (resid 29 and name HD#) (resid 29 and name HB#) 3.5 1.7 2.0  !!0.154E+07 or 0.202E+07
assign (resid 29 and name HD#) (resid 29 and name HG#) 3.5 1.7 2.0  !!0.360E+07 or 0.198E+07
assign (resid 29 and name HB#) (resid 29 and name HG#) 3.5 1.7 2.0  !!0.171E+07 or 0.281E+07


!W30
assign (resid 30 and name HN ) (resid 30 and name HA)  3.5 1.7 0.0  !!0.196E+07
!assign (resid 30 and name HN ) (resid 25 and name HA ) 5.0 3.2 0.0  !!0.275E+07
assign (resid 30 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0  !!0.885E+06/2 or 0.597E+07/2?
!assign (resid 30 and name HN ) (resid 27 and name HB#) 5.0 3.2 1.0  !!0.312E+07/3
!assign (resid 30 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.106E+08/2
assign (resid 30 and name HN ) (resid 29 and name HA ) 3.5 1.7 0.0  !!0.597E+07/2? 
!assign (resid 30 and name HZ2) (resid 32 and name HA ) 5.0 4.2 0.0
!assign (resid 30 and name HZ2) (resid 32 and name HB#) 5.0 4.2 1.0  !!0.891E+06 or 0.850E+07 (d2o)
!assign (resid 30 and name HZ2) (resid 32 and name HG#) 5.0 4.2 1.0  !!0.322E+07 (d2o)
assign (resid 30 and name HD1) (resid 30 and name HA ) 5.0 3.2 0.0  !!0.507E+07(d2o)
assign (resid 30 and name HD1) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.148E+07 or 0.211E+07
assign (resid 30 and name HD1) (resid 8  and name HA#) 5.0 3.2 1.0  !!0.612E+06 
assign (resid 30 and name HD1) (resid 25 and name HB#) 5.0 3.2 1.0  !!0.885E+06/2
assign (resid 30 and name HD1) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.174E+07/2
assign (resid 30 and name HD1) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.891E+06 or 0.261E+06 or 0.104E+08 (d2o)
assign (resid 30 and name HD1) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.550E+07
assign (resid 30 and name HE1) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.140E+07/2
assign (resid 30 and name HE1) (resid 30 and name HZ2) 3.5 1.7 0.0  !!0.255E+07
assign (resid 30 and name HE1) (resid 30 and name HD1) 2.7 0.9 0.0  !!0.606E+07
assign (resid 30 and name HE1) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.141E+06 or 0.248E+06
assign (resid 30 and name HE1) (resid 32 and name HG#) 5.0 3.2 1.0  !!
assign (resid 30 and name HE3) (resid 30 and name HA ) 5.0 3.2 0.0  !!0.135E+07 (d2o)
assign (resid 30 and name HE3) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.302E+07 or 0.180E+07
assign (resid 30 and name HE3) (resid 6  and name HA#) 5.0 3.2 1.0  !!0.280E+06 or 0.812E+06
assign (resid 30 and name HE3) (resid 28 and name HB#) 5.0 3.2 1.0  !!0.692E+06/2
!assign (resid 30 and name HE3) (resid 32 and name HA ) 5.0 3.2 0.0  !!0.134E+07 (d2o)
!assign (resid 30 and name HE3) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.400E+06
assign (resid 30 and name HZ3) (resid 32 and name HA ) 5.0 3.2 0.0  !!
assign (resid 30 and name HZ3) (resid 32 and name HB#) 5.0 3.2 1.0  !!
assign (resid 30 and name HA ) (resid 30 and name HB#) 2.7 0.9 1.0  !!0.767E+07 or 0.658E+07
assign (resid 30 and name HA ) (resid 8  and name HA#) 3.5 1.7 1.0  !!0.422E+07 or 0.143E+07

!C31
assign (resid 31 and name HN ) (resid 31 and name HA)  5.0 3.2 0.0  !!0.762E+06
assign (resid 31 and name HN ) (resid 31 and name HB#) 3.5 1.7 1.0  !!0.513E+07/2 or 0.527E+07/2?
assign (resid 31 and name HN ) (resid 30 and name HA)  2.7 0.9 0.0  !!0.819E+07
assign (resid 31 and name HN ) (resid 30 and name HB#) 3.5 1.7 1.0  !!0.513E+07/2?
assign (resid 31 and name HN ) (resid 30 and name HD1) 5.0 3.2 0.0  !!0.178E+07/2?
!assign (resid 31 and name HN)  (resid 5  and name HA ) 5.0 3.2 0.0  !!
!assign (resid 31 and name HN)  (resid 6  and name HA#) 5.0 3.2 1.0
assign (resid 31 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0  !!0.115E+07 or 0.345E+07
assign (resid 31 and name HB#) (resid 22 and name HD#) 5.0 3.2 2.0  !!0.133E+07 or 0.189E+07
assign (resid 31 and name HA ) (resid 31 and name HB#) 2.7 0.9 1.0  !!0.128E+07

!K32
assign (resid 32 and name HN ) (resid 32 and name HA)  5.0 3.2 0.0  !!0.439E+06(d2o)
assign (resid 32 and name HN ) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.558E+06 or 0.462E+06
assign (resid 32 and name HN ) (resid 32 and name HG#) 3.5 1.7 1.0  !!0.172E+07? or 0.764E+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 HA)  3.5 1.7 0.0  !!0.358E+07
assign (resid 32 and name HN ) (resid 31 and name HB#) 5.0 3.2 1.0  !!0.104E+07 or 0.764E+06
assign (resid 32 and name HN)  (resid 22 and name HA)  5.0 3.2 0.0  !!0.314E+06
assign (resid 32 and name HN)  (resid 22 and name HD#) 5.0 3.2 2.4 
assign (resid 32 and name HN)  (resid 23 and name HG#) 5.0 3.2 2.4
assign (resid 32 and name HN)  (resid 24 and name HA)  5.0 3.2 0.0  !!0.111E+07
assign (resid 32 and name HN ) (resid 23 and name HN)  3.5 1.7 0.0  !!0.161E+07
assign (resid 32 and name HN ) (resid 25 and name HN)  5.0 3.2 0.0  !!0.575E+06
!assign (resid 32 and name HN ) (resid 22 and name HG)  5.0 3.2 0.0  !!0.221E+07(d2o)
assign (resid 32 and name HA ) (resid 32 and name HB#) 3.5 1.7 1.0  !!0.252E+08 or 0.211E+08 (d2o)
assign (resid 32 and name HA ) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.295E+07 or 0.290E+07 (d2o)
assign (resid 32 and name HA ) (resid 5  and name HA ) 5.0 3.2 0.0  !!0.124E+07 (d2o)
assign (resid 32 and name HA ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.643E+08 (d2o)
assign (resid 32 and name HE#) (resid 32 and name HG#) 5.0 3.2 2.0  !!0.404E+06 or 0.601E+06

!Y33
assign (resid 33 and name HN ) (resid 33 and name HA)  3.5 1.7 0.0  !!0.181E+07
assign (resid 33 and name HN ) (resid 33 and name HB#) 2.7 0.9 1.0  !!0.221E+07 or 0.480E+07
assign (resid 33 and name HN ) (resid 32 and name HA)  5.0 3.2 0.0
assign (resid 33 and name HN ) (resid 32 and name HB#) 3.5 1.7 1.0  !!0.327E+07 or 0.134E+07
assign (resid 33 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0  !!0.696E+06 or 0.324E+06
assign (resid 33 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4  !!0.968E+06
assign (resid 33 and name HD#) (resid 33 and name HA ) 3.5 1.7 2.4  !!0.490E+07
assign (resid 33 and name HD# )(resid 33 and name HB#) 3.5 1.7 3.4  !!0.620E+07 or 0.696E+07
assign (resid 33 and name HD# )(resid 22 and name HG ) 5.0 3.2 2.4  !!0.476E+07 (d2o)
assign (resid 33 and name HD# )(resid 22 and name HD#) 5.0 3.2 4.8  !!0.225E+07
assign (resid 33 and name HE# )(resid 33 and name HA ) 5.0 3.2 2.4  !!0.285E+07 (d2o)
assign (resid 33 and name HE# )(resid 33 and name HB#) 5.0 3.2 3.4  !!0.377E+06 or 0.706E+06
assign (resid 33 and name HE# )(resid 20 and name HB#) 5.0 3.2 3.4  !!0.649E+07 or 0.980E+06
assign (resid 33 and name HE# )(resid 21 and name HB#) 5.0 3.2 3.4  !!0.407E+06 or 0.530E+06
assign (resid 33 and name HE# )(resid 22 and name HG ) 5.0 3.2 2.4  !!0.108E+07
assign (resid 33 and name HE# )(resid 22 and name HD#) 5.0 3.2 4.8  !!0.314E+06 or 0.159E+07
assign (resid 33 and name HE# )(resid 33 and name HD#) 2.7 0.9 4.8
assign (resid 33 and name HN ) (resid 33 and name HD#) 5.0 3.2 2.4  !!0.111E+07
assign (resid 33 and name HN ) (resid 5  and name HD#) 5.0 3.2 2.4  !!0.123E+06
assign (resid 33 and name HN ) (resid 5  and name HE#) 5.0 3.2 2.4  !!0.795E+06
assign (resid 33 and name HA ) (resid 33 and name HB#) 2.7 0.9 1.0  !!0.531E+07 or 0.269E+07

!E34
assign (resid 34 and name HN ) (resid 34 and name HA)  3.5 1.7 0.0   !!0.366E+07/2 
assign (resid 34 and name HN ) (resid 34 and name HG#) 5.0 3.2 1.0  !!0.814E+06
assign (resid 34 and name HN ) (resid 34 and name HB#) 3.5 1.7 1.0  !!0.114E+07 or 0.527E+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 22 and name HD#) 5.0 3.2 2.4  !!0.342E+06
assign (resid 34 and name HN ) (resid 33 and name HB#) 5.0 3.2 1.0  !!0.586E+06
assign (resid 34 and name HN ) (resid 33 and name HA ) 2.7 0.9 0.0  !!0.186E+08/3?
assign (resid 34 and name HN ) (resid 33 and name HD#) 5.0 3.2 2.4  !!0.914E+06
assign (resid 34 and name HA ) (resid 34 and name HB#) 3.5 1.7 1.0  !!0.293E+07 or 0.708E+07/2?
assign (resid 34 and name HA ) (resid 34 and name HG#) 3.5 1.7 1.0  !!0.150E+07
assign (resid 34 and name HA ) (resid 23 and name HG#) 5.0 3.2 2.4  !!0.390E+07 (d2o)
assign (resid 34 and name HG#) (resid 34 and name HB#) 3.5 1.7 2.0  !!0.152E+07
assign (resid 34 and name HG#) (resid 23 and name HG#) 5.0 3.2 3.4  !!0.734E+06

!I35
assign (resid 35 and name HN ) (resid 35 and name HA)  5.0 3.2 0.0  !!0.526E+06
assign (resid 35 and name HN ) (resid 35 and name HB)  3.5 1.7 0.0  !!0.213E+07
assign (resid 35 and name HN ) (resid 34 and name HA)  2.7 0.9 0.0  !!0.669E+07
assign (resid 35 and name HN ) (resid 34 and name HB#) 5.0 3.2 1.0  !!0.751E+06
assign (resid 35 and name HN ) (resid 34 and name HG#) 5.0 3.2 1.0
assign (resid 35 and name HN ) (resid 35 and name HG1#)5.0 3.2 1.0 
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 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 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 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  11.026   6.099  -4.711
    2   2H    GLU   1          2H        GLU   1  11.703   4.595  -4.307
    3   3H    GLU   1          3H        GLU   1  12.608   6.019  -4.103
    4    HA   GLU   1           HA       GLU   1  11.830   5.320  -1.950
    5   1HB   GLU   1          2HB       GLU   1  11.513   7.783  -3.198
    6   2HB   GLU   1          1HB       GLU   1   9.940   7.515  -2.448
    7   1HG   GLU   1          2HG       GLU   1  12.483   7.056  -0.895
    8   2HG   GLU   1          1HG       GLU   1  11.787   8.670  -1.032
    9    H    CYS   2           H        CYS   2  10.388   3.941  -0.997
   10    HA   CYS   2           HA       CYS   2   7.637   3.712  -2.182
   11   1HB   CYS   2          2HB       CYS   2   7.769   1.363  -1.654
   12   2HB   CYS   2          1HB       CYS   2   9.281   1.793  -2.452
   13    H    LEU   3           H        LEU   3   6.122   2.628  -0.415
   14    HA   LEU   3           HA       LEU   3   6.501   4.147   2.147
   15   1HB   LEU   3          2HB       LEU   3   4.017   3.237   0.652
   16   2HB   LEU   3          1HB       LEU   3   3.997   4.089   2.195
   17    HG   LEU   3           HG       LEU   3   5.336   5.193  -0.290
   18   1HD1  LEU   3          1HD1      LEU   3   2.619   5.934   0.829
   19   2HD1  LEU   3          2HD1      LEU   3   2.846   4.864  -0.554
   20   3HD1  LEU   3          3HD1      LEU   3   3.368   6.546  -0.645
   21   1HD2  LEU   3          1HD2      LEU   3   4.432   6.500   2.298
   22   2HD2  LEU   3          2HD2      LEU   3   5.266   7.300   0.967
   23   3HD2  LEU   3          3HD2      LEU   3   6.099   6.068   1.914
   24    H    GLY   4           H        GLY   4   6.697   2.911   3.976
   25   1HA   GLY   4          2HA       GLY   4   6.638   0.013   3.820
   26   2HA   GLY   4          1HA       GLY   4   6.903   0.962   5.282
   27    H    PHE   5           H        PHE   5   5.400  -1.111   5.794
   28    HA   PHE   5           HA       PHE   5   2.584  -0.954   5.232
   29   1HB   PHE   5          2HB       PHE   5   3.713  -2.982   5.988
   30   2HB   PHE   5          1HB       PHE   5   4.200  -2.193   7.487
   31    HD1  PHE   5           HD1      PHE   5   1.132  -3.050   5.503
   32    HD2  PHE   5           HD2      PHE   5   2.846  -2.383   9.383
   33    HE1  PHE   5           HE1      PHE   5  -0.997  -3.749   6.564
   34    HE2  PHE   5           HE2      PHE   5   0.717  -3.082  10.444
   35    HZ   PHE   5           HZ       PHE   5  -1.203  -3.765   9.034
   36    H    GLY   6           H        GLY   6   1.085   0.445   6.074
   37   1HA   GLY   6          2HA       GLY   6   0.093   1.469   8.111
   38   2HA   GLY   6          1HA       GLY   6   1.732   1.832   8.646
   39    H    LYS   7           H        LYS   7   2.704   2.747   6.070
   40    HA   LYS   7           HA       LYS   7   1.998   5.521   6.195
   41   1HB   LYS   7          2HB       LYS   7   3.451   3.714   4.268
   42   2HB   LYS   7          1HB       LYS   7   3.200   5.414   3.870
   43   1HG   LYS   7          2HG       LYS   7   4.089   5.573   6.467
   44   2HG   LYS   7          1HG       LYS   7   5.010   4.199   5.852
   45   1HD   LYS   7          2HD       LYS   7   6.113   5.470   4.257
   46   2HD   LYS   7          1HD       LYS   7   4.809   6.654   4.149
   47   1HE   LYS   7          2HE       LYS   7   5.409   7.443   6.466
   48   2HE   LYS   7          1HE       LYS   7   6.819   6.366   6.409
   49   1HZ   LYS   7          1HZ       LYS   7   6.176   8.489   4.427
   50   2HZ   LYS   7          2HZ       LYS   7   7.508   7.437   4.348
   51   3HZ   LYS   7          3HZ       LYS   7   7.394   8.576   5.603
   52    H    GLY   8           H        GLY   8   0.459   6.704   5.076
   53   1HA   GLY   8          2HA       GLY   8  -1.573   5.196   3.554
   54   2HA   GLY   8          1HA       GLY   8  -1.709   6.873   4.080
   55    H    CYS   9           H        CYS   9  -2.020   5.548   1.355
   56    HA   CYS   9           HA       CYS   9  -0.423   7.562  -0.136
   57   1HB   CYS   9          2HB       CYS   9   0.920   6.031  -1.178
   58   2HB   CYS   9          1HB       CYS   9   0.548   5.035   0.225
   59    H    ASN  10           H        ASN  10  -1.061   7.222  -2.641
   60    HA   ASN  10           HA       ASN  10  -3.997   7.409  -2.744
   61   1HB   ASN  10          2HB       ASN  10  -1.736   7.742  -4.738
   62   2HB   ASN  10          1HB       ASN  10  -3.431   7.978  -5.163
   63   1HD2  ASN  10          1HD2      ASN  10  -0.673   9.490  -3.718
   64   2HD2  ASN  10          2HD2      ASN  10  -1.456  10.895  -3.179
   65    HA   PRO  11           HA       PRO  11  -4.570   3.205  -4.008
   66   1HB   PRO  11          2HB       PRO  11  -7.084   3.450  -5.069
   67   2HB   PRO  11          1HB       PRO  11  -6.764   3.429  -3.323
   68   1HG   PRO  11          2HG       PRO  11  -7.286   5.742  -5.124
   69   2HG   PRO  11          1HG       PRO  11  -7.838   5.453  -3.466
   70   1HD   PRO  11          2HD       PRO  11  -5.775   7.117  -4.086
   71   2HD   PRO  11          1HD       PRO  11  -5.900   6.248  -2.542
   72    H    SER  12           H        SER  12  -5.283   5.844  -6.315
   73    HA   SER  12           HA       SER  12  -5.287   4.269  -8.715
   74   1HB   SER  12          2HB       SER  12  -4.910   6.485  -9.776
   75   2HB   SER  12          1HB       SER  12  -6.137   6.578  -8.518
   76    HG   SER  12           HG       SER  12  -4.839   7.771  -7.340
   77    H    ASN  13           H        ASN  13  -2.678   5.678  -6.786
   78    HA   ASN  13           HA       ASN  13  -0.694   4.347  -8.592
   79   1HB   ASN  13          2HB       ASN  13  -0.942   6.937  -8.648
   80   2HB   ASN  13          1HB       ASN  13  -0.192   6.902  -7.051
   81   1HD2  ASN  13          1HD2      ASN  13   0.375   6.180 -10.494
   82   2HD2  ASN  13          2HD2      ASN  13   2.062   6.053 -10.360
   83    H    ASP  14           H        ASP  14  -1.081   2.586  -6.933
   84    HA   ASP  14           HA       ASP  14  -0.568   2.755  -4.168
   85   1HB   ASP  14          2HB       ASP  14   0.012   0.595  -6.218
   86   2HB   ASP  14          1HB       ASP  14   0.073   0.324  -4.477
   87    H    GLN  15           H        GLN  15   1.221   3.785  -3.326
   88    HA   GLN  15           HA       GLN  15   3.880   3.417  -4.631
   89   1HB   GLN  15          2HB       GLN  15   2.644   5.378  -2.695
   90   2HB   GLN  15          1HB       GLN  15   4.390   5.323  -2.943
   91   1HG   GLN  15          2HG       GLN  15   3.263   5.278  -5.526
   92   2HG   GLN  15          1HG       GLN  15   2.349   6.493  -4.632
   93   1HE2  GLN  15          1HE2      GLN  15   5.528   5.702  -5.939
   94   2HE2  GLN  15          2HE2      GLN  15   6.248   7.198  -5.584
   95    H    CYS  16           H        CYS  16   2.308   1.569  -2.541
   96    HA   CYS  16           HA       CYS  16   3.985   1.541  -0.178
   97   1HB   CYS  16          2HB       CYS  16   2.123  -0.486  -1.458
   98   2HB   CYS  16          1HB       CYS  16   2.824  -0.671   0.149
   99    H    CYS  17           H        CYS  17   5.710   0.103   0.307
  100    HA   CYS  17           HA       CYS  17   7.480  -0.606  -1.836
  101   1HB   CYS  17          2HB       CYS  17   7.511  -0.383   0.955
  102   2HB   CYS  17          1HB       CYS  17   7.867  -2.084   0.653
  103    H    LYS  18           H        LYS  18   7.653  -2.479  -3.015
  104    HA   LYS  18           HA       LYS  18   5.589  -4.556  -2.711
  105   1HB   LYS  18          2HB       LYS  18   7.351  -3.486  -4.729
  106   2HB   LYS  18          1HB       LYS  18   7.530  -5.239  -4.664
  107   1HG   LYS  18          2HG       LYS  18   5.403  -5.619  -5.400
  108   2HG   LYS  18          1HG       LYS  18   4.744  -4.240  -4.522
  109   1HD   LYS  18          2HD       LYS  18   4.663  -3.149  -6.494
  110   2HD   LYS  18          1HD       LYS  18   6.425  -3.094  -6.442
  111   1HE   LYS  18          2HE       LYS  18   5.529  -5.706  -7.347
  112   2HE   LYS  18          1HE       LYS  18   4.860  -4.419  -8.370
  113   1HZ   LYS  18          1HZ       LYS  18   7.048  -3.452  -8.571
  114   2HZ   LYS  18          2HZ       LYS  18   7.109  -5.076  -9.067
  115   3HZ   LYS  18          3HZ       LYS  18   7.709  -4.628  -7.542
  116    H    SER  19           H        SER  19   8.602  -4.072  -1.264
  117    HA   SER  19           HA       SER  19   9.848  -6.637  -1.396
  118   1HB   SER  19          2HB       SER  19  10.746  -4.438  -0.502
  119   2HB   SER  19          1HB       SER  19   9.772  -4.702   0.942
  120    HG   SER  19           HG       SER  19  11.133  -6.185   1.578
  121    H    SER  20           H        SER  20   7.394  -5.339   0.870
  122    HA   SER  20           HA       SER  20   7.070  -8.075   2.040
  123   1HB   SER  20          2HB       SER  20   7.542  -5.867   3.352
  124   2HB   SER  20          1HB       SER  20   5.845  -5.507   3.045
  125    HG   SER  20           HG       SER  20   7.006  -7.354   4.724
  126    H    ASN  21           H        ASN  21   5.914  -6.970  -0.611
  127    HA   ASN  21           HA       ASN  21   3.874  -7.023  -1.788
  128   1HB   ASN  21          2HB       ASN  21   4.330  -9.361  -0.598
  129   2HB   ASN  21          1HB       ASN  21   2.873  -8.930   0.298
  130   1HD2  ASN  21          1HD2      ASN  21   4.118  -9.729  -2.926
  131   2HD2  ASN  21          2HD2      ASN  21   2.598  -9.924  -3.656
  132    H    LEU  22           H        LEU  22   3.652  -4.731  -0.636
  133    HA   LEU  22           HA       LEU  22   1.193  -4.742   1.086
  134   1HB   LEU  22          2HB       LEU  22   3.562  -2.874   0.819
  135   2HB   LEU  22          1HB       LEU  22   2.106  -2.431   1.710
  136    HG   LEU  22           HG       LEU  22   3.670  -4.961   2.276
  137   1HD1  LEU  22          1HD1      LEU  22   5.121  -3.021   2.673
  138   2HD1  LEU  22          2HD1      LEU  22   4.614  -3.725   4.209
  139   3HD1  LEU  22          3HD1      LEU  22   3.850  -2.248   3.621
  140   1HD2  LEU  22          1HD2      LEU  22   1.506  -5.172   3.187
  141   2HD2  LEU  22          2HD2      LEU  22   1.409  -3.458   3.591
  142   3HD2  LEU  22          3HD2      LEU  22   2.442  -4.530   4.536
  143    H    VAL  23           H        VAL  23  -0.583  -3.568   0.380
  144    HA   VAL  23           HA       VAL  23  -0.282  -1.939  -2.124
  145    HB   VAL  23           HB       VAL  23  -2.543  -2.884  -2.750
  146   1HG1  VAL  23          1HG1      VAL  23  -1.575  -5.262  -3.180
  147   2HG1  VAL  23          2HG1      VAL  23  -0.106  -4.626  -2.441
  148   3HG1  VAL  23          3HG1      VAL  23  -0.753  -3.877  -3.900
  149   1HG2  VAL  23          1HG2      VAL  23  -3.383  -4.833  -1.585
  150   2HG2  VAL  23          2HG2      VAL  23  -3.129  -3.564  -0.387
  151   3HG2  VAL  23          3HG2      VAL  23  -1.965  -4.880  -0.538
  152    H    CYS  24           H        CYS  24  -1.779  -0.155  -2.284
  153    HA   CYS  24           HA       CYS  24  -2.537   1.004   0.290
  154   1HB   CYS  24          2HB       CYS  24  -1.959   1.850  -2.354
  155   2HB   CYS  24          1HB       CYS  24  -3.607   2.377  -2.012
  156    H    SER  25           H        SER  25  -4.436   0.548   1.293
  157    HA   SER  25           HA       SER  25  -6.586  -0.960   0.131
  158   1HB   SER  25          2HB       SER  25  -5.956  -0.739   2.560
  159   2HB   SER  25          1HB       SER  25  -6.596   0.900   2.531
  160    HG   SER  25           HG       SER  25  -8.215  -0.455   3.230
  161    H    ARG  26           H        ARG  26  -8.855  -0.127  -0.120
  162    HA   ARG  26           HA       ARG  26  -8.859   2.463  -1.571
  163   1HB   ARG  26          2HB       ARG  26 -10.778   0.138  -1.266
  164   2HB   ARG  26          1HB       ARG  26 -11.196   1.600  -2.161
  165   1HG   ARG  26          2HG       ARG  26  -8.826   1.114  -3.309
  166   2HG   ARG  26          1HG       ARG  26  -9.224  -0.538  -2.835
  167   1HD   ARG  26          2HD       ARG  26 -10.283  -0.478  -4.903
  168   2HD   ARG  26          1HD       ARG  26 -11.600   0.161  -3.902
  169    HE   ARG  26           HE       ARG  26 -10.135   2.419  -4.486
  170   1HH1  ARG  26          2HH1      ARG  26 -12.805   2.151  -5.688
  171   2HH1  ARG  26          1HH1      ARG  26 -12.473   2.104  -7.387
  172   1HH2  ARG  26          1HH2      ARG  26  -9.102   1.359  -6.976
  173   2HH2  ARG  26          2HH2      ARG  26 -10.369   1.654  -8.119
  174    H    ALA  27           H        ALA  27 -10.384   0.931   1.266
  175    HA   ALA  27           HA       ALA  27 -12.010   3.319   1.856
  176   1HB   ALA  27          1HB       ALA  27 -12.785   1.922   3.724
  177   2HB   ALA  27          2HB       ALA  27 -11.487   0.769   3.416
  178   3HB   ALA  27          3HB       ALA  27 -12.777   0.980   2.233
  179    H    HIS  28           H        HIS  28  -9.087   1.734   3.119
  180    HA   HIS  28           HA       HIS  28  -8.782   3.826   5.208
  181   1HB   HIS  28          2HB       HIS  28  -7.446   1.202   4.531
  182   2HB   HIS  28          1HB       HIS  28  -6.772   2.288   5.746
  183    HD1  HIS  28           HD1      HIS  28  -9.010  -0.478   5.483
  184    HD2  HIS  28           HD2      HIS  28  -9.005   3.032   7.731
  185    HE1  HIS  28           HE1      HIS  28 -10.607  -0.860   7.411
  186    H    ARG  29           H        ARG  29  -7.469   2.924   2.077
  187    HA   ARG  29           HA       ARG  29  -5.840   3.944   0.715
  188   1HB   ARG  29          2HB       ARG  29  -7.424   5.863   1.832
  189   2HB   ARG  29          1HB       ARG  29  -5.839   6.394   2.392
  190   1HG   ARG  29          2HG       ARG  29  -5.340   7.188   0.351
  191   2HG   ARG  29          1HG       ARG  29  -5.652   5.610  -0.372
  192   1HD   ARG  29          2HD       ARG  29  -7.674   6.276  -1.170
  193   2HD   ARG  29          1HD       ARG  29  -8.119   7.023   0.377
  194    HE   ARG  29           HE       ARG  29  -6.252   8.357  -1.554
  195   1HH1  ARG  29          1HH2      ARG  29  -6.762   9.377   1.298
  196   2HH1  ARG  29          2HH2      ARG  29  -7.922  10.627   0.996
  197   1HH2  ARG  29          2HH1      ARG  29  -8.660   9.526  -2.219
  198   2HH2  ARG  29          1HH1      ARG  29  -9.000  10.712  -1.003
  199    H    TRP  30           H        TRP  30  -4.652   2.251   2.449
  200    HA   TRP  30           HA       TRP  30  -2.125   3.646   3.139
  201   1HB   TRP  30          2HB       TRP  30  -2.205   3.016   5.430
  202   2HB   TRP  30          1HB       TRP  30  -3.830   3.600   5.083
  203    HD1  TRP  30           HD1      TRP  30  -5.344   1.304   3.921
  204    HE1  TRP  30           HE1      TRP  30  -5.697  -0.936   5.143
  205    HE3  TRP  30           HE3      TRP  30  -1.481   1.506   7.240
  206    HZ2  TRP  30           HZ2      TRP  30  -4.494  -2.444   7.256
  207    HZ3  TRP  30           HZ3      TRP  30  -1.103  -0.342   8.847
  208    HH2  TRP  30           HH2      TRP  30  -2.605  -2.315   8.859
  209    H    CYS  31           H        CYS  31  -0.375   2.049   3.634
  210    HA   CYS  31           HA       CYS  31  -0.363  -0.148   1.756
  211   1HB   CYS  31          2HB       CYS  31   1.457   0.638   4.056
  212   2HB   CYS  31          1HB       CYS  31   1.858  -0.581   2.848
  213    H    LYS  32           H        LYS  32  -1.341  -2.088   2.082
  214    HA   LYS  32           HA       LYS  32  -1.395  -3.236   4.849
  215   1HB   LYS  32          2HB       LYS  32  -3.720  -3.938   4.402
  216   2HB   LYS  32          1HB       LYS  32  -3.563  -2.189   4.256
  217   1HG   LYS  32          2HG       LYS  32  -4.198  -2.240   2.094
  218   2HG   LYS  32          1HG       LYS  32  -3.010  -3.486   1.716
  219   1HD   LYS  32          2HD       LYS  32  -5.024  -4.588   1.270
  220   2HD   LYS  32          1HD       LYS  32  -4.692  -5.089   2.928
  221   1HE   LYS  32          2HE       LYS  32  -6.225  -3.427   3.812
  222   2HE   LYS  32          1HE       LYS  32  -6.449  -2.718   2.201
  223   1HZ   LYS  32          1HZ       LYS  32  -7.075  -5.532   2.935
  224   2HZ   LYS  32          2HZ       LYS  32  -7.312  -4.820   1.410
  225   3HZ   LYS  32          3HZ       LYS  32  -8.223  -4.299   2.745
  226    H    TYR  33           H        TYR  33  -1.798  -5.655   4.773
  227    HA   TYR  33           HA       TYR  33  -0.152  -6.874   2.653
  228   1HB   TYR  33          2HB       TYR  33  -1.462  -7.773   5.224
  229   2HB   TYR  33          1HB       TYR  33  -0.689  -8.933   4.142
  230    HD1  TYR  33           HD1      TYR  33  -0.169  -6.317   6.608
  231    HD2  TYR  33           HD2      TYR  33   1.749  -8.652   3.553
  232    HE1  TYR  33           HE1      TYR  33   2.050  -5.689   7.519
  233    HE2  TYR  33           HE2      TYR  33   3.967  -8.024   4.467
  234    HH   TYR  33           HH       TYR  33   4.627  -7.106   7.231
  235    H    GLU  34           H        GLU  34  -1.023  -9.071   1.764
  236    HA   GLU  34           HA       GLU  34  -3.468  -8.559   0.284
  237   1HB   GLU  34          2HB       GLU  34  -1.351 -10.638   0.500
  238   2HB   GLU  34          1HB       GLU  34  -2.900 -11.176  -0.150
  239   1HG   GLU  34          2HG       GLU  34  -2.749  -9.063  -1.659
  240   2HG   GLU  34          1HG       GLU  34  -1.038  -9.069  -1.230
  241    H    ILE  35           H        ILE  35  -5.510  -9.494   0.576
  242    HA   ILE  35           HA       ILE  35  -6.154 -10.493   3.264
  243    HB   ILE  35           HB       ILE  35  -8.477 -10.414   2.322
  244   1HG1  ILE  35          2HG1      ILE  35  -7.666  -9.022  -0.129
  245   2HG1  ILE  35          1HG1      ILE  35  -7.191 -10.719  -0.122
  246   1HG2  ILE  35          1HG2      ILE  35  -8.560  -7.994   2.082
  247   2HG2  ILE  35          2HG2      ILE  35  -6.836  -7.941   1.716
  248   3HG2  ILE  35          3HG2      ILE  35  -7.382  -8.411   3.326
  249   1HD1  ILE  35          1HD1      ILE  35  -9.655  -9.878  -0.875
  250   2HD1  ILE  35          2HD1      ILE  35  -9.937 -10.146   0.845
  251   3HD1  ILE  35          3HD1      ILE  35  -9.353 -11.466  -0.169
  252   1HN   NH2  36          1HN       NH2  36  -5.368 -13.609   1.251
  253   2HN   NH2  36          2HN       NH2  36  -4.991 -12.104   0.602
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1  12.434   5.365  -1.247
    2   2H    GLU   1          2H        GLU   1  12.884   4.079  -0.232
    3   3H    GLU   1          3H        GLU   1  13.632   5.594  -0.067
    4    HA   GLU   1           HA       GLU   1  11.899   5.070   1.662
    5   1HB   GLU   1          2HB       GLU   1  11.129   7.392   1.588
    6   2HB   GLU   1          1HB       GLU   1  12.807   7.319   1.056
    7   1HG   GLU   1          2HG       GLU   1  12.163   8.416  -0.807
    8   2HG   GLU   1          1HG       GLU   1  11.309   6.950  -1.287
    9    H    CYS   2           H        CYS   2   9.646   4.844   2.077
   10    HA   CYS   2           HA       CYS   2   7.670   4.970  -0.086
   11   1HB   CYS   2          2HB       CYS   2   7.186   2.477   0.139
   12   2HB   CYS   2          1HB       CYS   2   8.705   2.873  -0.661
   13    H    LEU   3           H        LEU   3   5.553   3.730   0.862
   14    HA   LEU   3           HA       LEU   3   5.097   4.922   3.548
   15   1HB   LEU   3          2HB       LEU   3   3.274   3.667   1.465
   16   2HB   LEU   3          1HB       LEU   3   2.716   4.439   2.948
   17    HG   LEU   3           HG       LEU   3   4.450   5.879   0.928
   18   1HD1  LEU   3          1HD1      LEU   3   2.171   5.013   0.049
   19   2HD1  LEU   3          2HD1      LEU   3   2.521   6.731  -0.141
   20   3HD1  LEU   3          3HD1      LEU   3   1.456   6.186   1.155
   21   1HD2  LEU   3          1HD2      LEU   3   4.427   6.908   3.118
   22   2HD2  LEU   3          2HD2      LEU   3   2.675   6.739   3.234
   23   3HD2  LEU   3          3HD2      LEU   3   3.377   7.866   2.073
   24    H    GLY   4           H        GLY   4   5.491   3.580   5.270
   25   1HA   GLY   4          2HA       GLY   4   5.691   0.712   5.035
   26   2HA   GLY   4          1HA       GLY   4   5.687   1.617   6.547
   27    H    PHE   5           H        PHE   5   4.348  -0.484   7.021
   28    HA   PHE   5           HA       PHE   5   1.647  -0.706   6.038
   29   1HB   PHE   5          2HB       PHE   5   3.277  -2.330   7.346
   30   2HB   PHE   5          1HB       PHE   5   2.510  -1.622   8.767
   31    HD1  PHE   5           HD1      PHE   5   1.946  -3.601   5.697
   32    HD2  PHE   5           HD2      PHE   5   0.179  -2.041   9.288
   33    HE1  PHE   5           HE1      PHE   5  -0.023  -5.071   5.366
   34    HE2  PHE   5           HE2      PHE   5  -1.790  -3.512   8.957
   35    HZ   PHE   5           HZ       PHE   5  -1.892  -5.027   6.996
   36    H    GLY   6           H        GLY   6  -0.277   0.140   6.884
   37   1HA   GLY   6          2HA       GLY   6  -1.680   1.408   8.307
   38   2HA   GLY   6          1HA       GLY   6  -0.328   1.588   9.425
   39    H    LYS   7           H        LYS   7  -0.206   2.423   5.984
   40    HA   LYS   7           HA       LYS   7  -0.030   5.323   6.747
   41   1HB   LYS   7          2HB       LYS   7   1.682   3.565   4.987
   42   2HB   LYS   7          1HB       LYS   7   1.652   5.311   4.753
   43   1HG   LYS   7          2HG       LYS   7   1.991   4.432   7.558
   44   2HG   LYS   7          1HG       LYS   7   3.338   4.050   6.485
   45   1HD   LYS   7          2HD       LYS   7   3.663   6.332   5.902
   46   2HD   LYS   7          1HD       LYS   7   2.099   6.805   6.568
   47   1HE   LYS   7          2HE       LYS   7   2.873   6.343   8.841
   48   2HE   LYS   7          1HE       LYS   7   4.418   5.731   8.218
   49   1HZ   LYS   7          1HZ       LYS   7   3.345   8.470   7.770
   50   2HZ   LYS   7          2HZ       LYS   7   4.825   7.874   7.186
   51   3HZ   LYS   7          3HZ       LYS   7   4.585   8.072   8.856
   52    H    GLY   8           H        GLY   8  -1.505   6.548   5.630
   53   1HA   GLY   8          2HA       GLY   8  -3.339   5.457   3.752
   54   2HA   GLY   8          1HA       GLY   8  -3.074   7.181   4.004
   55    H    CYS   9           H        CYS   9  -3.146   5.070   1.596
   56    HA   CYS   9           HA       CYS   9  -0.888   6.366   0.105
   57   1HB   CYS   9          2HB       CYS   9  -0.360   4.049   0.619
   58   2HB   CYS   9          1HB       CYS   9  -1.940   3.520   0.038
   59    H    ASN  10           H        ASN  10  -1.316   6.755  -2.150
   60    HA   ASN  10           HA       ASN  10  -4.131   7.311  -2.768
   61   1HB   ASN  10          2HB       ASN  10  -1.980   8.670  -3.304
   62   2HB   ASN  10          1HB       ASN  10  -1.761   7.525  -4.629
   63   1HD2  ASN  10          1HD2      ASN  10  -3.750  10.196  -3.461
   64   2HD2  ASN  10          2HD2      ASN  10  -4.662  10.377  -4.881
   65    HA   PRO  11           HA       PRO  11  -4.759   3.406  -4.795
   66   1HB   PRO  11          2HB       PRO  11  -7.092   4.048  -6.086
   67   2HB   PRO  11          1HB       PRO  11  -7.014   3.679  -4.351
   68   1HG   PRO  11          2HG       PRO  11  -7.143   6.321  -5.719
   69   2HG   PRO  11          1HG       PRO  11  -7.943   5.779  -4.236
   70   1HD   PRO  11          2HD       PRO  11  -5.726   7.348  -4.236
   71   2HD   PRO  11          1HD       PRO  11  -6.104   6.202  -2.930
   72    H    SER  12           H        SER  12  -5.030   6.476  -6.605
   73    HA   SER  12           HA       SER  12  -4.596   5.245  -9.220
   74   1HB   SER  12          2HB       SER  12  -4.802   7.996  -8.040
   75   2HB   SER  12          1HB       SER  12  -4.135   7.827  -9.660
   76    HG   SER  12           HG       SER  12  -6.624   7.938  -9.086
   77    H    ASN  13           H        ASN  13  -2.575   6.691  -6.708
   78    HA   ASN  13           HA       ASN  13  -0.142   6.165  -8.386
   79   1HB   ASN  13          2HB       ASN  13  -0.915   8.297  -6.394
   80   2HB   ASN  13          1HB       ASN  13   0.788   7.942  -6.688
   81   1HD2  ASN  13          1HD2      ASN  13   1.700   8.569  -8.743
   82   2HD2  ASN  13          2HD2      ASN  13   0.834   9.488  -9.877
   83    H    ASP  14           H        ASP  14  -0.573   3.904  -7.405
   84    HA   ASP  14           HA       ASP  14  -0.289   3.389  -4.600
   85   1HB   ASP  14          2HB       ASP  14   0.398   1.700  -7.029
   86   2HB   ASP  14          1HB       ASP  14   0.151   1.082  -5.397
   87    H    GLN  15           H        GLN  15   1.508   3.624  -3.346
   88    HA   GLN  15           HA       GLN  15   4.197   3.088  -4.487
   89   1HB   GLN  15          2HB       GLN  15   4.972   5.315  -3.623
   90   2HB   GLN  15          1HB       GLN  15   3.781   5.457  -4.915
   91   1HG   GLN  15          2HG       GLN  15   2.080   6.129  -3.455
   92   2HG   GLN  15          1HG       GLN  15   2.866   5.409  -2.050
   93   1HE2  GLN  15          1HE2      GLN  15   4.815   6.558  -1.182
   94   2HE2  GLN  15          2HE2      GLN  15   5.006   8.219  -1.477
   95    H    CYS  16           H        CYS  16   2.671   1.602  -2.541
   96    HA   CYS  16           HA       CYS  16   3.425   2.283   0.172
   97   1HB   CYS  16          2HB       CYS  16   2.387  -0.146  -1.287
   98   2HB   CYS  16          1HB       CYS  16   2.827  -0.254   0.416
   99    H    CYS  17           H        CYS  17   4.804   0.569   1.456
  100    HA   CYS  17           HA       CYS  17   7.485   0.557   0.333
  101   1HB   CYS  17          2HB       CYS  17   6.108  -0.378   2.831
  102   2HB   CYS  17          1HB       CYS  17   7.753  -0.925   2.513
  103    H    LYS  18           H        LYS  18   8.610  -1.156  -0.583
  104    HA   LYS  18           HA       LYS  18   7.020  -3.489  -1.462
  105   1HB   LYS  18          2HB       LYS  18   8.684  -1.949  -2.783
  106   2HB   LYS  18          1HB       LYS  18   9.924  -2.976  -2.061
  107   1HG   LYS  18          2HG       LYS  18   9.046  -4.937  -3.088
  108   2HG   LYS  18          1HG       LYS  18   7.540  -4.125  -3.520
  109   1HD   LYS  18          2HD       LYS  18   8.630  -2.782  -5.175
  110   2HD   LYS  18          1HD       LYS  18  10.229  -3.253  -4.599
  111   1HE   LYS  18          2HE       LYS  18   8.413  -5.468  -5.449
  112   2HE   LYS  18          1HE       LYS  18   9.101  -4.448  -6.728
  113   1HZ   LYS  18          1HZ       LYS  18  10.650  -5.724  -4.531
  114   2HZ   LYS  18          2HZ       LYS  18  11.292  -4.765  -5.779
  115   3HZ   LYS  18          3HZ       LYS  18  10.600  -6.275  -6.135
  116    H    SER  19           H        SER  19   8.393  -2.996   1.411
  117    HA   SER  19           HA       SER  19  10.330  -5.069   1.781
  118   1HB   SER  19          2HB       SER  19   9.676  -4.785   4.177
  119   2HB   SER  19          1HB       SER  19   9.918  -3.241   3.367
  120    HG   SER  19           HG       SER  19   7.901  -2.800   3.733
  121    H    SER  20           H        SER  20   6.771  -5.073   2.054
  122    HA   SER  20           HA       SER  20   6.836  -8.071   1.987
  123   1HB   SER  20          2HB       SER  20   6.361  -6.946   4.247
  124   2HB   SER  20          1HB       SER  20   4.861  -6.365   3.529
  125    HG   SER  20           HG       SER  20   4.096  -8.364   3.483
  126    H    ASN  21           H        ASN  21   6.450  -6.062  -0.197
  127    HA   ASN  21           HA       ASN  21   4.991  -5.624  -1.995
  128   1HB   ASN  21          2HB       ASN  21   5.180  -8.300  -1.504
  129   2HB   ASN  21          1HB       ASN  21   3.434  -8.078  -1.389
  130   1HD2  ASN  21          1HD2      ASN  21   6.204  -7.872  -3.594
  131   2HD2  ASN  21          2HD2      ASN  21   5.285  -7.695  -5.010
  132    H    LEU  22           H        LEU  22   4.128  -3.917  -0.293
  133    HA   LEU  22           HA       LEU  22   1.409  -4.506   0.719
  134   1HB   LEU  22          2HB       LEU  22   3.273  -2.115   0.842
  135   2HB   LEU  22          1HB       LEU  22   1.687  -2.152   1.612
  136    HG   LEU  22           HG       LEU  22   3.883  -4.174   2.149
  137   1HD1  LEU  22          1HD1      LEU  22   4.230  -2.986   4.260
  138   2HD1  LEU  22          2HD1      LEU  22   2.980  -1.818   3.833
  139   3HD1  LEU  22          3HD1      LEU  22   4.481  -1.878   2.910
  140   1HD2  LEU  22          1HD2      LEU  22   1.607  -5.007   2.561
  141   2HD2  LEU  22          2HD2      LEU  22   1.241  -3.576   3.524
  142   3HD2  LEU  22          3HD2      LEU  22   2.437  -4.740   4.093
  143    H    VAL  23           H        VAL  23  -0.465  -3.436  -0.006
  144    HA   VAL  23           HA       VAL  23  -0.216  -1.909  -2.582
  145    HB   VAL  23           HB       VAL  23  -2.385  -3.023  -3.180
  146   1HG1  VAL  23          1HG1      VAL  23  -0.649  -5.329  -2.525
  147   2HG1  VAL  23          2HG1      VAL  23   0.144  -4.015  -3.396
  148   3HG1  VAL  23          3HG1      VAL  23  -1.279  -4.798  -4.085
  149   1HG2  VAL  23          1HG2      VAL  23  -1.990  -5.062  -1.049
  150   2HG2  VAL  23          2HG2      VAL  23  -3.484  -4.467  -1.772
  151   3HG2  VAL  23          3HG2      VAL  23  -2.667  -3.518  -0.531
  152    H    CYS  24           H        CYS  24  -1.885  -0.257  -2.895
  153    HA   CYS  24           HA       CYS  24  -2.789   0.939  -0.341
  154   1HB   CYS  24          2HB       CYS  24  -3.129   1.979  -3.167
  155   2HB   CYS  24          1HB       CYS  24  -3.084   2.913  -1.672
  156    H    SER  25           H        SER  25  -4.728   0.183   0.415
  157    HA   SER  25           HA       SER  25  -6.715  -1.158  -1.158
  158   1HB   SER  25          2HB       SER  25  -6.253  -1.206   1.362
  159   2HB   SER  25          1HB       SER  25  -7.137   0.314   1.455
  160    HG   SER  25           HG       SER  25  -8.039  -2.258   1.030
  161    H    ARG  26           H        ARG  26  -9.043  -0.327  -1.298
  162    HA   ARG  26           HA       ARG  26  -9.017   2.491  -2.301
  163   1HB   ARG  26          2HB       ARG  26 -10.849   1.765  -3.713
  164   2HB   ARG  26          1HB       ARG  26  -9.576   0.552  -3.812
  165   1HG   ARG  26          2HG       ARG  26 -10.914  -0.550  -1.803
  166   2HG   ARG  26          1HG       ARG  26 -12.252   0.387  -2.468
  167   1HD   ARG  26          2HD       ARG  26 -10.570  -1.229  -4.361
  168   2HD   ARG  26          1HD       ARG  26 -11.785  -2.062  -3.370
  169    HE   ARG  26           HE       ARG  26 -12.860   0.352  -4.576
  170   1HH1  ARG  26          2HH1      ARG  26 -14.497  -2.086  -4.261
  171   2HH1  ARG  26          1HH1      ARG  26 -14.595  -2.699  -5.878
  172   1HH2  ARG  26          1HH2      ARG  26 -11.924  -0.807  -7.042
  173   2HH2  ARG  26          2HH2      ARG  26 -13.135  -1.974  -7.456
  174    H    ALA  27           H        ALA  27 -10.581   0.345   0.029
  175    HA   ALA  27           HA       ALA  27 -12.771   2.166   0.661
  176   1HB   ALA  27          1HB       ALA  27 -13.072   0.538   2.543
  177   2HB   ALA  27          2HB       ALA  27 -11.558  -0.233   2.069
  178   3HB   ALA  27          3HB       ALA  27 -12.940  -0.253   0.972
  179    H    HIS  28           H        HIS  28  -9.725   1.249   2.287
  180    HA   HIS  28           HA       HIS  28 -10.024   3.586   4.123
  181   1HB   HIS  28          2HB       HIS  28  -8.631   0.936   4.147
  182   2HB   HIS  28          1HB       HIS  28  -7.933   2.240   5.106
  183    HD1  HIS  28           HD1      HIS  28  -8.634   1.289   7.392
  184    HD2  HIS  28           HD2      HIS  28 -11.849   1.845   4.796
  185    HE1  HIS  28           HE1      HIS  28 -10.734   1.004   8.779
  186    H    ARG  29           H        ARG  29  -8.347   2.658   1.271
  187    HA   ARG  29           HA       ARG  29  -6.531   3.597   0.103
  188   1HB   ARG  29          2HB       ARG  29  -7.758   5.826   1.716
  189   2HB   ARG  29          1HB       ARG  29  -6.362   6.145   0.687
  190   1HG   ARG  29          2HG       ARG  29  -7.583   5.989  -1.212
  191   2HG   ARG  29          1HG       ARG  29  -8.432   4.550  -0.647
  192   1HD   ARG  29          2HD       ARG  29 -10.261   5.819  -0.236
  193   2HD   ARG  29          1HD       ARG  29  -9.326   6.762   0.941
  194    HE   ARG  29           HE       ARG  29  -8.941   7.408  -1.931
  195   1HH1  ARG  29          1HH2      ARG  29 -11.646   8.327  -1.097
  196   2HH1  ARG  29          2HH2      ARG  29 -11.330   9.911  -0.472
  197   1HH2  ARG  29          2HH1      ARG  29  -7.910   9.385  -0.143
  198   2HH2  ARG  29          1HH1      ARG  29  -9.207  10.512   0.070
  199    H    TRP  30           H        TRP  30  -5.321   2.049   1.769
  200    HA   TRP  30           HA       TRP  30  -3.086   3.641   2.890
  201   1HB   TRP  30          2HB       TRP  30  -3.333   2.736   5.102
  202   2HB   TRP  30          1HB       TRP  30  -4.922   3.329   4.631
  203    HD1  TRP  30           HD1      TRP  30  -6.312   1.192   3.169
  204    HE1  TRP  30           HE1      TRP  30  -6.725  -1.180   4.093
  205    HE3  TRP  30           HE3      TRP  30  -2.668   1.002   6.721
  206    HZ2  TRP  30           HZ2      TRP  30  -5.641  -2.927   6.085
  207    HZ3  TRP  30           HZ3      TRP  30  -2.372  -1.022   8.119
  208    HH2  TRP  30           HH2      TRP  30  -3.853  -2.986   7.806
  209    H    CYS  31           H        CYS  31  -1.334   2.057   3.719
  210    HA   CYS  31           HA       CYS  31  -0.843   0.052   1.636
  211   1HB   CYS  31          2HB       CYS  31   0.652   1.047   4.077
  212   2HB   CYS  31          1HB       CYS  31   1.297  -0.201   3.012
  213    H    LYS  32           H        LYS  32  -1.522  -2.031   1.800
  214    HA   LYS  32           HA       LYS  32  -1.590  -3.341   4.482
  215   1HB   LYS  32          2HB       LYS  32  -3.861  -4.145   4.027
  216   2HB   LYS  32          1HB       LYS  32  -3.828  -2.387   3.921
  217   1HG   LYS  32          2HG       LYS  32  -4.837  -2.685   1.909
  218   2HG   LYS  32          1HG       LYS  32  -3.226  -3.115   1.336
  219   1HD   LYS  32          2HD       LYS  32  -3.729  -5.332   1.184
  220   2HD   LYS  32          1HD       LYS  32  -4.706  -5.313   2.653
  221   1HE   LYS  32          2HE       LYS  32  -5.773  -3.862   0.253
  222   2HE   LYS  32          1HE       LYS  32  -5.861  -5.634   0.272
  223   1HZ   LYS  32          1HZ       LYS  32  -6.807  -3.829   2.441
  224   2HZ   LYS  32          2HZ       LYS  32  -6.865  -5.528   2.473
  225   3HZ   LYS  32          3HZ       LYS  32  -7.801  -4.664   1.350
  226    H    TYR  33           H        TYR  33  -1.792  -5.763   4.237
  227    HA   TYR  33           HA       TYR  33  -0.661  -6.709   1.622
  228   1HB   TYR  33          2HB       TYR  33   0.954  -6.560   3.541
  229   2HB   TYR  33          1HB       TYR  33  -0.054  -7.705   4.425
  230    HD1  TYR  33           HD1      TYR  33   1.174  -9.707   4.534
  231    HD2  TYR  33           HD2      TYR  33   0.880  -7.611   0.796
  232    HE1  TYR  33           HE1      TYR  33   2.300 -11.594   3.385
  233    HE2  TYR  33           HE2      TYR  33   2.006  -9.497  -0.352
  234    HH   TYR  33           HH       TYR  33   3.797 -11.541   0.795
  235    H    GLU  34           H        GLU  34  -1.987  -8.185   0.661
  236    HA   GLU  34           HA       GLU  34  -3.650  -9.977   2.395
  237   1HB   GLU  34          2HB       GLU  34  -4.426  -8.120   0.158
  238   2HB   GLU  34          1HB       GLU  34  -5.372  -9.582   0.437
  239   1HG   GLU  34          2HG       GLU  34  -4.741  -7.552   2.600
  240   2HG   GLU  34          1HG       GLU  34  -6.236  -7.556   1.663
  241    H    ILE  35           H        ILE  35  -3.674 -12.097   1.697
  242    HA   ILE  35           HA       ILE  35  -2.826 -12.739  -1.083
  243    HB   ILE  35           HB       ILE  35  -0.821 -12.600   0.423
  244   1HG1  ILE  35          1HG1      ILE  35  -1.089 -15.505  -0.182
  245   2HG1  ILE  35          2HG1      ILE  35  -1.334 -14.392  -1.527
  246   1HG2  ILE  35          1HG2      ILE  35  -2.092 -13.415   2.465
  247   2HG2  ILE  35          2HG2      ILE  35  -1.991 -15.039   1.784
  248   3HG2  ILE  35          3HG2      ILE  35  -0.518 -14.170   2.214
  249   1HD1  ILE  35          1HD1      ILE  35   0.999 -13.783   0.190
  250   2HD1  ILE  35          2HD1      ILE  35   1.116 -15.284  -0.728
  251   3HD1  ILE  35          3HD1      ILE  35   0.855 -13.756  -1.568
  252   1HN   NH2  36          1HN       NH2  36  -5.325 -15.018  -1.085
  253   2HN   NH2  36          2HN       NH2  36  -4.569 -13.527  -1.686
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1  10.416   8.009  -1.934
    2   2H    GLU   1          2H        GLU   1  11.470   6.749  -2.366
    3   3H    GLU   1          3H        GLU   1  12.019   8.017  -1.380
    4    HA   GLU   1           HA       GLU   1  11.622   6.083  -0.006
    5   1HB   GLU   1          2HB       GLU   1   9.830   8.500   0.111
    6   2HB   GLU   1          1HB       GLU   1   9.688   7.248   1.344
    7   1HG   GLU   1          2HG       GLU   1  11.423   8.212   2.410
    8   2HG   GLU   1          1HG       GLU   1  12.449   7.684   1.076
    9    H    CYS   2           H        CYS   2  10.656   4.107  -0.176
   10    HA   CYS   2           HA       CYS   2   8.096   3.827  -1.647
   11   1HB   CYS   2          2HB       CYS   2   9.940   2.337  -2.189
   12   2HB   CYS   2          1HB       CYS   2  10.132   1.891  -0.494
   13    H    LEU   3           H        LEU   3   6.212   2.951  -0.691
   14    HA   LEU   3           HA       LEU   3   6.040   3.238   2.263
   15   1HB   LEU   3          2HB       LEU   3   3.991   2.874   0.049
   16   2HB   LEU   3          1HB       LEU   3   3.588   3.129   1.747
   17    HG   LEU   3           HG       LEU   3   5.398   5.060   0.306
   18   1HD1  LEU   3          1HD1      LEU   3   3.299   6.428  -0.094
   19   2HD1  LEU   3          2HD1      LEU   3   2.366   4.980   0.287
   20   3HD1  LEU   3          3HD1      LEU   3   3.444   4.992  -1.108
   21   1HD2  LEU   3          1HD2      LEU   3   3.555   5.142   2.713
   22   2HD2  LEU   3          2HD2      LEU   3   4.264   6.596   2.010
   23   3HD2  LEU   3          3HD2      LEU   3   5.307   5.346   2.689
   24    H    GLY   4           H        GLY   4   6.148   1.423   3.527
   25   1HA   GLY   4          2HA       GLY   4   5.754  -1.232   2.237
   26   2HA   GLY   4          1HA       GLY   4   6.581  -0.957   3.771
   27    H    PHE   5           H        PHE   5   4.982  -2.808   4.307
   28    HA   PHE   5           HA       PHE   5   2.171  -2.385   4.536
   29   1HB   PHE   5          2HB       PHE   5   3.291  -4.561   4.737
   30   2HB   PHE   5          1HB       PHE   5   4.122  -4.022   6.195
   31    HD1  PHE   5           HD1      PHE   5   0.681  -4.471   4.776
   32    HD2  PHE   5           HD2      PHE   5   3.138  -4.355   8.298
   33    HE1  PHE   5           HE1      PHE   5  -1.256  -5.182   6.150
   34    HE2  PHE   5           HE2      PHE   5   1.201  -5.066   9.672
   35    HZ   PHE   5           HZ       PHE   5  -0.996  -5.479   8.598
   36    H    GLY   6           H        GLY   6   0.997  -1.142   5.961
   37   1HA   GLY   6          2HA       GLY   6   0.566  -0.268   8.202
   38   2HA   GLY   6          1HA       GLY   6   2.307  -0.221   8.479
   39    H    LYS   7           H        LYS   7   3.144   1.040   6.100
   40    HA   LYS   7           HA       LYS   7   2.739   3.812   6.711
   41   1HB   LYS   7          2HB       LYS   7   3.993   2.156   4.566
   42   2HB   LYS   7          1HB       LYS   7   3.700   3.854   4.197
   43   1HG   LYS   7          2HG       LYS   7   4.925   3.250   6.844
   44   2HG   LYS   7          1HG       LYS   7   5.945   3.023   5.423
   45   1HD   LYS   7          2HD       LYS   7   5.744   5.287   4.769
   46   2HD   LYS   7          1HD       LYS   7   4.339   5.550   5.803
   47   1HE   LYS   7          2HE       LYS   7   6.294   4.727   7.605
   48   2HE   LYS   7          1HE       LYS   7   7.183   5.761   6.471
   49   1HZ   LYS   7          1HZ       LYS   7   4.620   6.451   7.813
   50   2HZ   LYS   7          2HZ       LYS   7   5.432   7.428   6.685
   51   3HZ   LYS   7          3HZ       LYS   7   6.142   7.098   8.193
   52    H    GLY   8           H        GLY   8   1.579   5.424   5.474
   53   1HA   GLY   8          2HA       GLY   8  -0.977   4.473   4.421
   54   2HA   GLY   8          1HA       GLY   8  -0.486   6.158   4.579
   55    H    CYS   9           H        CYS   9  -1.602   4.416   2.283
   56    HA   CYS   9           HA       CYS   9   0.208   5.521   0.192
   57   1HB   CYS   9          2HB       CYS   9   0.842   3.157   0.704
   58   2HB   CYS   9          1HB       CYS   9  -0.805   2.658   0.314
   59    H    ASN  10           H        ASN  10  -0.930   6.099  -1.704
   60    HA   ASN  10           HA       ASN  10  -3.887   6.161  -1.453
   61   1HB   ASN  10          2HB       ASN  10  -1.819   7.487  -3.221
   62   2HB   ASN  10          1HB       ASN  10  -3.550   7.683  -3.494
   63   1HD2  ASN  10          1HD2      ASN  10  -0.871   8.732  -1.538
   64   2HD2  ASN  10          2HD2      ASN  10  -1.759   9.739  -0.499
   65    HA   PRO  11           HA       PRO  11  -4.450   2.887  -4.364
   66   1HB   PRO  11          2HB       PRO  11  -6.958   3.523  -5.264
   67   2HB   PRO  11          1HB       PRO  11  -6.650   2.803  -3.672
   68   1HG   PRO  11          2HG       PRO  11  -7.189   5.640  -4.391
   69   2HG   PRO  11          1HG       PRO  11  -7.745   4.705  -2.996
   70   1HD   PRO  11          2HD       PRO  11  -5.696   6.494  -2.876
   71   2HD   PRO  11          1HD       PRO  11  -5.822   5.077  -1.810
   72    H    SER  12           H        SER  12  -5.413   6.164  -5.486
   73    HA   SER  12           HA       SER  12  -5.195   5.667  -8.300
   74   1HB   SER  12          2HB       SER  12  -4.867   8.135  -6.564
   75   2HB   SER  12          1HB       SER  12  -4.914   8.200  -8.323
   76    HG   SER  12           HG       SER  12  -6.993   7.820  -8.276
   77    H    ASN  13           H        ASN  13  -2.842   6.982  -5.946
   78    HA   ASN  13           HA       ASN  13  -0.656   6.667  -7.959
   79   1HB   ASN  13          2HB       ASN  13  -0.971   8.142  -5.325
   80   2HB   ASN  13          1HB       ASN  13   0.571   8.033  -6.173
   81   1HD2  ASN  13          1HD2      ASN  13   0.779   9.170  -8.235
   82   2HD2  ASN  13          2HD2      ASN  13  -0.354  10.338  -8.718
   83    H    ASP  14           H        ASP  14  -1.279   4.212  -7.351
   84    HA   ASP  14           HA       ASP  14  -0.449   3.098  -4.851
   85   1HB   ASP  14          2HB       ASP  14  -1.486   2.268  -7.370
   86   2HB   ASP  14          1HB       ASP  14  -0.063   1.277  -7.045
   87    H    GLN  15           H        GLN  15   1.594   3.296  -4.056
   88    HA   GLN  15           HA       GLN  15   3.895   2.609  -5.840
   89   1HB   GLN  15          2HB       GLN  15   3.317   5.153  -5.387
   90   2HB   GLN  15          1HB       GLN  15   4.082   4.839  -3.830
   91   1HG   GLN  15          2HG       GLN  15   6.164   4.400  -4.788
   92   2HG   GLN  15          1HG       GLN  15   5.468   3.978  -6.352
   93   1HE2  GLN  15          1HE2      GLN  15   5.753   5.577  -7.911
   94   2HE2  GLN  15          2HE2      GLN  15   5.902   7.237  -7.590
   95    H    CYS  16           H        CYS  16   2.640   0.890  -3.951
   96    HA   CYS  16           HA       CYS  16   3.995   0.972  -1.370
   97   1HB   CYS  16          2HB       CYS  16   1.716  -0.070  -2.166
   98   2HB   CYS  16          1HB       CYS  16   2.712  -1.456  -2.607
   99    H    CYS  17           H        CYS  17   5.400  -0.881  -0.645
  100    HA   CYS  17           HA       CYS  17   7.623  -1.293  -2.484
  101   1HB   CYS  17          2HB       CYS  17   6.885  -1.871   0.342
  102   2HB   CYS  17          1HB       CYS  17   8.135  -2.895  -0.365
  103    H    LYS  18           H        LYS  18   8.094  -3.113  -3.679
  104    HA   LYS  18           HA       LYS  18   5.998  -5.196  -3.899
  105   1HB   LYS  18          2HB       LYS  18   7.858  -3.881  -5.592
  106   2HB   LYS  18          1HB       LYS  18   8.317  -5.583  -5.573
  107   1HG   LYS  18          2HG       LYS  18   5.415  -4.904  -5.863
  108   2HG   LYS  18          1HG       LYS  18   6.468  -4.687  -7.261
  109   1HD   LYS  18          2HD       LYS  18   7.303  -7.078  -6.786
  110   2HD   LYS  18          1HD       LYS  18   5.896  -7.229  -5.733
  111   1HE   LYS  18          2HE       LYS  18   5.349  -6.123  -8.440
  112   2HE   LYS  18          1HE       LYS  18   5.809  -7.835  -8.378
  113   1HZ   LYS  18          1HZ       LYS  18   4.158  -8.195  -6.657
  114   2HZ   LYS  18          2HZ       LYS  18   3.419  -7.542  -8.040
  115   3HZ   LYS  18          3HZ       LYS  18   3.719  -6.556  -6.690
  116    H    SER  19           H        SER  19   8.456  -4.868  -1.766
  117    HA   SER  19           HA       SER  19   9.918  -7.353  -2.021
  118   1HB   SER  19          2HB       SER  19  10.571  -6.767   0.336
  119   2HB   SER  19          1HB       SER  19  10.778  -5.432  -0.792
  120    HG   SER  19           HG       SER  19   9.454  -4.363   0.429
  121    H    SER  20           H        SER  20   7.031  -6.365  -0.162
  122    HA   SER  20           HA       SER  20   6.621  -9.231   0.624
  123   1HB   SER  20          2HB       SER  20   6.372  -6.619   1.933
  124   2HB   SER  20          1HB       SER  20   4.941  -7.623   2.148
  125    HG   SER  20           HG       SER  20   6.188  -8.401   3.694
  126    H    ASN  21           H        ASN  21   5.730  -7.498  -1.892
  127    HA   ASN  21           HA       ASN  21   3.815  -7.311  -3.254
  128   1HB   ASN  21          2HB       ASN  21   4.300  -9.851  -2.732
  129   2HB   ASN  21          1HB       ASN  21   2.801  -9.749  -1.809
  130   1HD2  ASN  21          1HD2      ASN  21   1.331 -10.832  -3.194
  131   2HD2  ASN  21          2HD2      ASN  21   1.035 -10.371  -4.800
  132    H    LEU  22           H        LEU  22   3.307  -5.391  -1.697
  133    HA   LEU  22           HA       LEU  22   0.829  -5.924  -0.098
  134   1HB   LEU  22          2HB       LEU  22   2.953  -3.763  -0.073
  135   2HB   LEU  22          1HB       LEU  22   1.475  -3.661   0.885
  136    HG   LEU  22           HG       LEU  22   3.089  -6.174   1.061
  137   1HD1  LEU  22          1HD1      LEU  22   4.443  -5.111   2.889
  138   2HD1  LEU  22          2HD1      LEU  22   3.810  -3.544   2.386
  139   3HD1  LEU  22          3HD1      LEU  22   4.817  -4.482   1.284
  140   1HD2  LEU  22          1HD2      LEU  22   1.043  -6.138   2.295
  141   2HD2  LEU  22          2HD2      LEU  22   1.353  -4.510   2.899
  142   3HD2  LEU  22          3HD2      LEU  22   2.316  -5.867   3.484
  143    H    VAL  23           H        VAL  23  -0.849  -4.183  -0.209
  144    HA   VAL  23           HA       VAL  23  -0.897  -2.755  -2.848
  145    HB   VAL  23           HB       VAL  23  -3.354  -3.378  -2.890
  146   1HG1  VAL  23          1HG1      VAL  23  -1.571  -4.620  -4.149
  147   2HG1  VAL  23          2HG1      VAL  23  -2.961  -5.618  -3.723
  148   3HG1  VAL  23          3HG1      VAL  23  -1.466  -5.746  -2.797
  149   1HG2  VAL  23          1HG2      VAL  23  -3.293  -3.909  -0.344
  150   2HG2  VAL  23          2HG2      VAL  23  -2.635  -5.469  -0.834
  151   3HG2  VAL  23          3HG2      VAL  23  -4.235  -4.974  -1.386
  152    H    CYS  24           H        CYS  24  -1.882  -0.700  -2.797
  153    HA   CYS  24           HA       CYS  24  -2.139   0.558  -0.151
  154   1HB   CYS  24          2HB       CYS  24  -2.630   1.645  -2.944
  155   2HB   CYS  24          1HB       CYS  24  -2.334   2.594  -1.488
  156    H    SER  25           H        SER  25  -4.064   0.863   0.912
  157    HA   SER  25           HA       SER  25  -6.564  -0.116  -0.295
  158   1HB   SER  25          2HB       SER  25  -5.843   1.075   2.399
  159   2HB   SER  25          1HB       SER  25  -7.417   0.391   2.008
  160    HG   SER  25           HG       SER  25  -6.501  -1.403   2.629
  161    H    ARG  26           H        ARG  26  -8.586   1.338   0.237
  162    HA   ARG  26           HA       ARG  26  -8.022   4.098  -0.792
  163   1HB   ARG  26          2HB       ARG  26 -10.533   2.390  -0.891
  164   2HB   ARG  26          1HB       ARG  26 -10.305   3.940  -1.699
  165   1HG   ARG  26          2HG       ARG  26  -8.220   2.767  -2.776
  166   2HG   ARG  26          1HG       ARG  26  -9.052   1.280  -2.327
  167   1HD   ARG  26          2HD       ARG  26 -10.917   3.132  -3.561
  168   2HD   ARG  26          1HD       ARG  26  -9.534   2.827  -4.630
  169    HE   ARG  26           HE       ARG  26 -10.047   0.459  -4.564
  170   1HH1  ARG  26          1HH2      ARG  26 -11.063   0.154  -1.807
  171   2HH1  ARG  26          2HH2      ARG  26 -12.767  -0.049  -2.040
  172   1HH2  ARG  26          2HH1      ARG  26 -12.737   1.189  -5.287
  173   2HH2  ARG  26          1HH1      ARG  26 -13.717   0.538  -4.015
  174    H    ALA  27           H        ALA  27 -10.236   2.312   1.403
  175    HA   ALA  27           HA       ALA  27 -11.267   4.691   2.694
  176   1HB   ALA  27          1HB       ALA  27 -12.116   2.943   4.323
  177   2HB   ALA  27          2HB       ALA  27 -11.209   1.744   3.402
  178   3HB   ALA  27          3HB       ALA  27 -12.529   2.629   2.638
  179    H    HIS  28           H        HIS  28  -8.795   2.286   3.602
  180    HA   HIS  28           HA       HIS  28  -8.085   3.816   6.034
  181   1HB   HIS  28          2HB       HIS  28  -7.258   1.201   4.761
  182   2HB   HIS  28          1HB       HIS  28  -6.401   1.852   6.158
  183    HD1  HIS  28           HD1      HIS  28  -7.478   1.548   8.423
  184    HD2  HIS  28           HD2      HIS  28 -10.104   0.677   5.304
  185    HE1  HIS  28           HE1      HIS  28  -9.558   0.572   9.489
  186    H    ARG  29           H        ARG  29  -7.091   3.624   2.720
  187    HA   ARG  29           HA       ARG  29  -5.260   4.530   1.546
  188   1HB   ARG  29          2HB       ARG  29  -5.721   6.342   3.919
  189   2HB   ARG  29          1HB       ARG  29  -4.489   6.722   2.716
  190   1HG   ARG  29          2HG       ARG  29  -6.765   6.028   1.224
  191   2HG   ARG  29          1HG       ARG  29  -7.372   7.029   2.542
  192   1HD   ARG  29          2HD       ARG  29  -4.968   8.253   1.601
  193   2HD   ARG  29          1HD       ARG  29  -5.976   7.886   0.187
  194    HE   ARG  29           HE       ARG  29  -6.903   9.471   2.551
  195   1HH1  ARG  29          2HH1      ARG  29  -6.387  10.747  -0.145
  196   2HH1  ARG  29          1HH1      ARG  29  -7.983  10.817  -0.812
  197   1HH2  ARG  29          1HH2      ARG  29  -9.313   8.542   1.453
  198   2HH2  ARG  29          2HH2      ARG  29  -9.644   9.565   0.096
  199    H    TRP  30           H        TRP  30  -4.342   2.317   2.749
  200    HA   TRP  30           HA       TRP  30  -1.611   3.084   3.601
  201   1HB   TRP  30          2HB       TRP  30  -1.735   1.964   5.697
  202   2HB   TRP  30          1HB       TRP  30  -3.225   2.895   5.600
  203    HD1  TRP  30           HD1      TRP  30  -5.201   1.265   4.120
  204    HE1  TRP  30           HE1      TRP  30  -5.948  -1.095   4.842
  205    HE3  TRP  30           HE3      TRP  30  -1.227  -0.053   7.026
  206    HZ2  TRP  30           HZ2      TRP  30  -4.978  -3.259   6.447
  207    HZ3  TRP  30           HZ3      TRP  30  -1.157  -2.266   8.139
  208    HH2  TRP  30           HH2      TRP  30  -3.027  -3.870   7.854
  209    H    CYS  31           H        CYS  31  -0.190   1.090   3.727
  210    HA   CYS  31           HA       CYS  31  -0.788  -0.682   1.444
  211   1HB   CYS  31          2HB       CYS  31   1.539   0.116   3.128
  212   2HB   CYS  31          1HB       CYS  31   1.620  -1.472   2.366
  213    H    LYS  32           H        LYS  32  -1.747  -2.644   1.737
  214    HA   LYS  32           HA       LYS  32  -1.383  -4.046   4.367
  215   1HB   LYS  32          2HB       LYS  32  -3.741  -4.698   4.204
  216   2HB   LYS  32          1HB       LYS  32  -3.604  -2.944   4.100
  217   1HG   LYS  32          2HG       LYS  32  -3.959  -2.947   1.747
  218   2HG   LYS  32          1HG       LYS  32  -3.687  -4.686   1.629
  219   1HD   LYS  32          2HD       LYS  32  -5.737  -5.141   2.854
  220   2HD   LYS  32          1HD       LYS  32  -5.986  -3.419   3.145
  221   1HE   LYS  32          2HE       LYS  32  -6.080  -3.085   0.639
  222   2HE   LYS  32          1HE       LYS  32  -6.072  -4.851   0.469
  223   1HZ   LYS  32          1HZ       LYS  32  -8.010  -3.284   2.094
  224   2HZ   LYS  32          2HZ       LYS  32  -7.993  -4.975   1.927
  225   3HZ   LYS  32          3HZ       LYS  32  -8.340  -3.989   0.588
  226    H    TYR  33           H        TYR  33  -2.042  -6.463   4.090
  227    HA   TYR  33           HA       TYR  33  -0.567  -7.544   1.767
  228   1HB   TYR  33          2HB       TYR  33  -1.154  -8.256   4.488
  229   2HB   TYR  33          1HB       TYR  33  -1.704  -9.563   3.440
  230    HD1  TYR  33           HD1      TYR  33   1.204  -7.657   4.630
  231    HD2  TYR  33           HD2      TYR  33  -0.130 -10.767   1.981
  232    HE1  TYR  33           HE1      TYR  33   3.549  -8.401   4.321
  233    HE2  TYR  33           HE2      TYR  33   2.216 -11.508   1.673
  234    HH   TYR  33           HH       TYR  33   4.615 -10.166   1.919
  235    H    GLU  34           H        GLU  34  -1.716  -9.792   0.998
  236    HA   GLU  34           HA       GLU  34  -4.583  -9.169   0.357
  237   1HB   GLU  34          2HB       GLU  34  -4.025 -10.118  -1.928
  238   2HB   GLU  34          1HB       GLU  34  -3.214  -8.599  -1.553
  239   1HG   GLU  34          2HG       GLU  34  -1.138  -9.587  -1.379
  240   2HG   GLU  34          1HG       GLU  34  -1.797 -11.118  -0.805
  241    H    ILE  35           H        ILE  35  -4.628 -10.732   2.349
  242    HA   ILE  35           HA       ILE  35  -4.820 -13.533   1.302
  243    HB   ILE  35           HB       ILE  35  -2.708 -13.082   2.599
  244   1HG1  ILE  35          2HG1      ILE  35  -4.051 -14.884   4.461
  245   2HG1  ILE  35          1HG1      ILE  35  -4.491 -15.228   2.788
  246   1HG2  ILE  35          1HG2      ILE  35  -3.853 -11.411   4.146
  247   2HG2  ILE  35          2HG2      ILE  35  -2.797 -12.580   4.939
  248   3HG2  ILE  35          3HG2      ILE  35  -4.546 -12.797   4.988
  249   1HD1  ILE  35          1HD1      ILE  35  -2.217 -15.547   2.147
  250   2HD1  ILE  35          2HD1      ILE  35  -2.398 -16.415   3.671
  251   3HD1  ILE  35          3HD1      ILE  35  -1.618 -14.834   3.644
  252   1HN   NH2  36          1HN       NH2  36  -7.294 -14.193   4.013
  253   2HN   NH2  36          2HN       NH2  36  -5.605 -14.686   3.763
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1 -11.242   2.891  -6.547
    2   2H    GLU   1          2H        GLU   1 -10.915   4.350  -7.352
    3   3H    GLU   1          3H        GLU   1 -11.037   4.320  -5.657
    4    HA   GLU   1           HA       GLU   1  -8.913   2.990  -7.273
    5   1HB   GLU   1          2HB       GLU   1  -9.235   5.573  -5.773
    6   2HB   GLU   1          1HB       GLU   1  -7.646   4.810  -5.813
    7   1HG   GLU   1          2HG       GLU   1  -7.932   4.671  -8.352
    8   2HG   GLU   1          1HG       GLU   1  -9.308   5.757  -8.154
    9    H    CYS   2           H        CYS   2  -8.673   1.033  -6.171
   10    HA   CYS   2           HA       CYS   2  -7.976   1.190  -3.283
   11   1HB   CYS   2          2HB       CYS   2 -10.485   0.293  -4.355
   12   2HB   CYS   2          1HB       CYS   2  -9.647  -1.096  -3.665
   13    H    LEU   3           H        LEU   3  -6.119   0.038  -3.022
   14    HA   LEU   3           HA       LEU   3  -5.477  -2.138  -4.985
   15   1HB   LEU   3          2HB       LEU   3  -3.676  -0.487  -3.175
   16   2HB   LEU   3          1HB       LEU   3  -3.144  -1.599  -4.435
   17    HG   LEU   3           HG       LEU   3  -4.944   0.758  -5.036
   18   1HD1  LEU   3          1HD1      LEU   3  -3.065   2.117  -5.484
   19   2HD1  LEU   3          2HD1      LEU   3  -1.954   0.747  -5.454
   20   3HD1  LEU   3          3HD1      LEU   3  -2.661   1.344  -3.952
   21   1HD2  LEU   3          1HD2      LEU   3  -4.538  -1.305  -6.602
   22   2HD2  LEU   3          2HD2      LEU   3  -2.958  -0.570  -6.873
   23   3HD2  LEU   3          3HD2      LEU   3  -4.426   0.317  -7.284
   24    H    GLY   4           H        GLY   4  -4.984  -4.198  -4.180
   25   1HA   GLY   4          2HA       GLY   4  -5.539  -4.638  -1.294
   26   2HA   GLY   4          1HA       GLY   4  -5.541  -5.885  -2.540
   27    H    PHE   5           H        PHE   5  -4.108  -7.183  -1.240
   28    HA   PHE   5           HA       PHE   5  -1.475  -6.203  -0.440
   29   1HB   PHE   5          2HB       PHE   5  -2.861  -7.997   0.681
   30   2HB   PHE   5          1HB       PHE   5  -2.525  -9.040  -0.700
   31    HD1  PHE   5           HD1      PHE   5  -0.514 -10.269  -0.822
   32    HD2  PHE   5           HD2      PHE   5  -0.857  -7.026   1.975
   33    HE1  PHE   5           HE1      PHE   5   1.659 -10.908   0.185
   34    HE2  PHE   5           HE2      PHE   5   1.317  -7.667   2.981
   35    HZ   PHE   5           HZ       PHE   5   2.574  -9.607   2.087
   36    H    GLY   6           H        GLY   6   0.466  -6.471  -1.546
   37   1HA   GLY   6          2HA       GLY   6   1.954  -7.211  -3.233
   38   2HA   GLY   6          1HA       GLY   6   0.677  -8.253  -3.861
   39    H    LYS   7           H        LYS   7   0.649  -4.723  -3.320
   40    HA   LYS   7           HA       LYS   7   0.207  -4.363  -6.268
   41   1HB   LYS   7          2HB       LYS   7  -1.244  -3.379  -3.831
   42   2HB   LYS   7          1HB       LYS   7  -1.208  -2.345  -5.259
   43   1HG   LYS   7          2HG       LYS   7  -1.880  -5.226  -5.664
   44   2HG   LYS   7          1HG       LYS   7  -3.106  -4.199  -4.921
   45   1HD   LYS   7          2HD       LYS   7  -3.545  -3.140  -6.868
   46   2HD   LYS   7          1HD       LYS   7  -1.832  -2.917  -7.220
   47   1HE   LYS   7          2HE       LYS   7  -2.885  -5.699  -7.476
   48   2HE   LYS   7          1HE       LYS   7  -3.384  -4.533  -8.716
   49   1HZ   LYS   7          1HZ       LYS   7  -0.612  -5.192  -7.877
   50   2HZ   LYS   7          2HZ       LYS   7  -0.997  -3.856  -8.854
   51   3HZ   LYS   7          3HZ       LYS   7  -1.308  -5.433  -9.404
   52    H    GLY   8           H        GLY   8   1.982  -3.282  -7.038
   53   1HA   GLY   8          2HA       GLY   8   3.852  -1.856  -5.431
   54   2HA   GLY   8          1HA       GLY   8   3.738  -1.734  -7.184
   55    H    CYS   9           H        CYS   9   3.791   0.166  -4.603
   56    HA   CYS   9           HA       CYS   9   2.088   2.252  -5.883
   57   1HB   CYS   9          2HB       CYS   9   1.203   2.775  -3.563
   58   2HB   CYS   9          1HB       CYS   9   0.665   1.229  -4.214
   59    H    ASN  10           H        ASN  10   2.495   4.409  -4.518
   60    HA   ASN  10           HA       ASN  10   5.456   4.684  -4.225
   61   1HB   ASN  10          2HB       ASN  10   3.148   6.379  -5.043
   62   2HB   ASN  10          1HB       ASN  10   4.452   7.205  -4.190
   63   1HD2  ASN  10          1HD2      ASN  10   3.493   5.956  -7.250
   64   2HD2  ASN  10          2HD2      ASN  10   4.991   6.119  -8.033
   65    HA   PRO  11           HA       PRO  11   5.000   5.109   0.150
   66   1HB   PRO  11          2HB       PRO  11   7.240   6.593   0.697
   67   2HB   PRO  11          1HB       PRO  11   7.291   4.860   0.315
   68   1HG   PRO  11          2HG       PRO  11   7.842   7.201  -1.446
   69   2HG   PRO  11          1HG       PRO  11   8.683   5.646  -1.342
   70   1HD   PRO  11          2HD       PRO  11   6.902   6.229  -3.301
   71   2HD   PRO  11          1HD       PRO  11   7.157   4.580  -2.688
   72    H    SER  12           H        SER  12   5.786   8.065  -1.714
   73    HA   SER  12           HA       SER  12   4.655   9.852   0.320
   74   1HB   SER  12          2HB       SER  12   6.567  10.366  -1.244
   75   2HB   SER  12          1HB       SER  12   5.414  10.363  -2.575
   76    HG   SER  12           HG       SER  12   4.721  12.255  -1.953
   77    H    ASN  13           H        ASN  13   3.656   8.619  -2.890
   78    HA   ASN  13           HA       ASN  13   0.935   9.797  -2.442
   79   1HB   ASN  13          2HB       ASN  13   2.511  10.293  -4.491
   80   2HB   ASN  13          1HB       ASN  13   1.982   8.707  -5.052
   81   1HD2  ASN  13          1HD2      ASN  13  -0.037   8.624  -6.104
   82   2HD2  ASN  13          2HD2      ASN  13  -1.164   9.893  -6.113
   83    H    ASP  14           H        ASP  14   1.012   7.672  -0.930
   84    HA   ASP  14           HA       ASP  14   0.516   5.167  -2.403
   85   1HB   ASP  14          2HB       ASP  14   0.384   4.221  -0.154
   86   2HB   ASP  14          1HB       ASP  14   1.762   5.316  -0.235
   87    H    GLN  15           H        GLN  15  -1.513   4.105  -2.501
   88    HA   GLN  15           HA       GLN  15  -3.906   5.449  -1.368
   89   1HB   GLN  15          2HB       GLN  15  -2.948   5.710  -4.088
   90   2HB   GLN  15          1HB       GLN  15  -4.516   4.904  -4.085
   91   1HG   GLN  15          2HG       GLN  15  -5.014   6.861  -2.281
   92   2HG   GLN  15          1HG       GLN  15  -3.813   7.677  -3.281
   93   1HE2  GLN  15          1HE2      GLN  15  -4.877   8.918  -4.844
   94   2HE2  GLN  15          2HE2      GLN  15  -6.258   8.425  -5.700
   95    H    CYS  16           H        CYS  16  -3.125   3.088  -0.398
   96    HA   CYS  16           HA       CYS  16  -4.119   0.794  -1.929
   97   1HB   CYS  16          2HB       CYS  16  -2.335   1.228   0.128
   98   2HB   CYS  16          1HB       CYS  16  -3.713   0.533   0.982
   99    H    CYS  17           H        CYS  17  -5.783  -0.693  -0.761
  100    HA   CYS  17           HA       CYS  17  -8.231   0.857  -0.306
  101   1HB   CYS  17          2HB       CYS  17  -7.712  -1.472  -1.506
  102   2HB   CYS  17          1HB       CYS  17  -8.029  -2.103   0.111
  103    H    LYS  18           H        LYS  18  -9.251   1.192   1.656
  104    HA   LYS  18           HA       LYS  18  -7.741   0.700   4.120
  105   1HB   LYS  18          2HB       LYS  18 -10.252   2.108   3.273
  106   2HB   LYS  18          1HB       LYS  18 -10.011   1.772   4.987
  107   1HG   LYS  18          2HG       LYS  18  -7.591   2.762   4.481
  108   2HG   LYS  18          1HG       LYS  18  -8.453   3.570   3.172
  109   1HD   LYS  18          2HD       LYS  18  -9.846   3.653   5.772
  110   2HD   LYS  18          1HD       LYS  18  -8.306   4.511   5.747
  111   1HE   LYS  18          2HE       LYS  18  -9.547   6.228   4.870
  112   2HE   LYS  18          1HE       LYS  18  -9.422   5.311   3.356
  113   1HZ   LYS  18          1HZ       LYS  18 -11.421   4.091   3.969
  114   2HZ   LYS  18          2HZ       LYS  18 -11.739   5.759   3.911
  115   3HZ   LYS  18          3HZ       LYS  18 -11.551   4.980   5.409
  116    H    SER  19           H        SER  19 -10.223  -1.004   2.380
  117    HA   SER  19           HA       SER  19 -11.672  -2.267   4.474
  118   1HB   SER  19          2HB       SER  19 -12.069  -2.289   1.964
  119   2HB   SER  19          1HB       SER  19 -10.788  -3.493   1.844
  120    HG   SER  19           HG       SER  19 -12.611  -4.663   2.080
  121    H    SER  20           H        SER  20  -8.600  -3.230   2.905
  122    HA   SER  20           HA       SER  20  -8.276  -5.438   4.880
  123   1HB   SER  20          2HB       SER  20  -7.710  -5.035   2.137
  124   2HB   SER  20          1HB       SER  20  -6.148  -5.136   2.944
  125    HG   SER  20           HG       SER  20  -8.121  -7.044   2.602
  126    H    ASN  21           H        ASN  21  -7.593  -2.206   4.879
  127    HA   ASN  21           HA       ASN  21  -6.010  -0.844   5.960
  128   1HB   ASN  21          2HB       ASN  21  -6.649  -3.179   7.513
  129   2HB   ASN  21          1HB       ASN  21  -4.965  -2.750   7.809
  130   1HD2  ASN  21          1HD2      ASN  21  -8.298  -1.688   8.241
  131   2HD2  ASN  21          2HD2      ASN  21  -7.934  -0.321   9.179
  132    H    LEU  22           H        LEU  22  -4.748  -1.110   3.814
  133    HA   LEU  22           HA       LEU  22  -2.159  -2.555   4.299
  134   1HB   LEU  22          2HB       LEU  22  -3.829  -1.974   1.852
  135   2HB   LEU  22          1HB       LEU  22  -2.125  -2.406   1.706
  136    HG   LEU  22           HG       LEU  22  -3.915  -4.106   3.412
  137   1HD1  LEU  22          1HD1      LEU  22  -3.741  -4.155   0.387
  138   2HD1  LEU  22          2HD1      LEU  22  -5.192  -3.944   1.367
  139   3HD1  LEU  22          3HD1      LEU  22  -4.356  -5.497   1.352
  140   1HD2  LEU  22          1HD2      LEU  22  -1.474  -4.578   1.672
  141   2HD2  LEU  22          2HD2      LEU  22  -2.333  -5.856   2.532
  142   3HD2  LEU  22          3HD2      LEU  22  -1.531  -4.572   3.435
  143    H    VAL  23           H        VAL  23  -0.231  -1.405   3.918
  144    HA   VAL  23           HA       VAL  23  -0.509   1.504   3.225
  145    HB   VAL  23           HB       VAL  23   1.336   1.855   4.908
  146   1HG1  VAL  23          1HG1      VAL  23  -0.170   2.089   6.633
  147   2HG1  VAL  23          2HG1      VAL  23  -0.855   0.480   6.397
  148   3HG1  VAL  23          3HG1      VAL  23  -1.309   1.799   5.317
  149   1HG2  VAL  23          1HG2      VAL  23   2.222   0.140   6.161
  150   2HG2  VAL  23          2HG2      VAL  23   1.800  -0.795   4.728
  151   3HG2  VAL  23          3HG2      VAL  23   0.728  -0.798   6.128
  152    H    CYS  24           H        CYS  24   1.261   2.390   2.016
  153    HA   CYS  24           HA       CYS  24   2.647   0.499   0.285
  154   1HB   CYS  24          2HB       CYS  24   1.727   2.940  -0.089
  155   2HB   CYS  24          1HB       CYS  24   3.310   3.423   0.519
  156    H    SER  25           H        SER  25   4.840  -0.064   0.314
  157    HA   SER  25           HA       SER  25   6.389   0.744   2.752
  158   1HB   SER  25          2HB       SER  25   5.645  -1.679   2.234
  159   2HB   SER  25          1HB       SER  25   6.862  -1.645   0.962
  160    HG   SER  25           HG       SER  25   8.251  -2.037   2.477
  161    H    ARG  26           H        ARG  26   8.802   0.815   2.399
  162    HA   ARG  26           HA       ARG  26   9.433   2.191  -0.172
  163   1HB   ARG  26          2HB       ARG  26  10.058   2.522   2.609
  164   2HB   ARG  26          1HB       ARG  26  11.564   2.260   1.730
  165   1HG   ARG  26          2HG       ARG  26  11.088   4.079   0.221
  166   2HG   ARG  26          1HG       ARG  26   9.454   4.252   0.862
  167   1HD   ARG  26          2HD       ARG  26  10.683   5.978   1.948
  168   2HD   ARG  26          1HD       ARG  26  10.638   4.676   3.152
  169    HE   ARG  26           HE       ARG  26  12.923   4.589   1.286
  170   1HH1  ARG  26          2HH1      ARG  26  12.833   3.344   4.054
  171   2HH1  ARG  26          1HH1      ARG  26  13.851   4.421   4.950
  172   1HH2  ARG  26          1HH2      ARG  26  13.739   6.944   2.560
  173   2HH2  ARG  26          2HH2      ARG  26  14.365   6.465   4.102
  174    H    ALA  27           H        ALA  27  10.109  -0.764   1.578
  175    HA   ALA  27           HA       ALA  27  12.655  -1.490   0.579
  176   1HB   ALA  27          1HB       ALA  27  10.186  -3.131   1.215
  177   2HB   ALA  27          2HB       ALA  27  11.475  -2.695   2.337
  178   3HB   ALA  27          3HB       ALA  27  11.800  -3.813   1.013
  179    H    HIS  28           H        HIS  28   9.451  -2.285  -0.804
  180    HA   HIS  28           HA       HIS  28  10.779  -2.588  -3.480
  181   1HB   HIS  28          2HB       HIS  28   8.874  -4.348  -1.954
  182   2HB   HIS  28          1HB       HIS  28   8.870  -4.390  -3.717
  183    HD1  HIS  28           HD1      HIS  28  11.544  -4.542  -4.694
  184    HD2  HIS  28           HD2      HIS  28  10.674  -6.174  -0.956
  185    HE1  HIS  28           HE1      HIS  28  13.406  -6.181  -4.176
  186    H    ARG  29           H        ARG  29   8.945  -0.470  -1.982
  187    HA   ARG  29           HA       ARG  29   7.151   0.952  -2.551
  188   1HB   ARG  29          2HB       ARG  29   8.073   0.045  -5.302
  189   2HB   ARG  29          1HB       ARG  29   7.139   1.500  -4.968
  190   1HG   ARG  29          2HG       ARG  29   9.958   0.896  -4.024
  191   2HG   ARG  29          1HG       ARG  29   9.475   2.122  -5.196
  192   1HD   ARG  29          2HD       ARG  29   7.934   2.933  -3.154
  193   2HD   ARG  29          1HD       ARG  29   9.223   2.155  -2.216
  194    HE   ARG  29           HE       ARG  29   9.506   4.622  -3.669
  195   1HH1  ARG  29          2HH1      ARG  29  11.251   3.089  -1.512
  196   2HH1  ARG  29          1HH1      ARG  29  12.770   3.086  -2.343
  197   1HH2  ARG  29          1HH2      ARG  29  11.400   3.999  -5.401
  198   2HH2  ARG  29          2HH2      ARG  29  12.855   3.602  -4.549
  199    H    TRP  30           H        TRP  30   5.860  -1.062  -1.621
  200    HA   TRP  30           HA       TRP  30   3.712  -1.666  -3.580
  201   1HB   TRP  30          2HB       TRP  30   3.923  -4.046  -3.307
  202   2HB   TRP  30          1HB       TRP  30   5.541  -3.444  -3.653
  203    HD1  TRP  30           HD1      TRP  30   6.809  -2.654  -1.131
  204    HE1  TRP  30           HE1      TRP  30   7.085  -4.198   0.915
  205    HE3  TRP  30           HE3      TRP  30   3.141  -6.059  -2.110
  206    HZ2  TRP  30           HZ2      TRP  30   5.899  -6.572   1.992
  207    HZ3  TRP  30           HZ3      TRP  30   2.733  -7.950  -0.562
  208    HH2  TRP  30           HH2      TRP  30   4.107  -8.211   1.486
  209    H    CYS  31           H        CYS  31   1.914  -2.968  -2.347
  210    HA   CYS  31           HA       CYS  31   1.363  -1.513   0.168
  211   1HB   CYS  31          2HB       CYS  31  -0.111  -2.964  -1.953
  212   2HB   CYS  31          1HB       CYS  31  -0.805  -3.095  -0.338
  213    H    LYS  32           H        LYS  32   1.974  -2.423   2.072
  214    HA   LYS  32           HA       LYS  32   2.004  -5.417   2.302
  215   1HB   LYS  32          2HB       LYS  32   3.791  -5.033   3.978
  216   2HB   LYS  32          1HB       LYS  32   4.215  -4.326   2.421
  217   1HG   LYS  32          2HG       LYS  32   3.953  -2.150   3.181
  218   2HG   LYS  32          1HG       LYS  32   2.781  -2.609   4.415
  219   1HD   LYS  32          2HD       LYS  32   5.121  -3.978   5.123
  220   2HD   LYS  32          1HD       LYS  32   5.672  -2.378   4.627
  221   1HE   LYS  32          2HE       LYS  32   4.321  -1.283   6.253
  222   2HE   LYS  32          1HE       LYS  32   3.342  -2.737   6.531
  223   1HZ   LYS  32          1HZ       LYS  32   6.248  -2.452   7.109
  224   2HZ   LYS  32          2HZ       LYS  32   5.343  -3.875   7.318
  225   3HZ   LYS  32          3HZ       LYS  32   5.009  -2.505   8.265
  226    H    TYR  33           H        TYR  33   1.337  -6.275   4.416
  227    HA   TYR  33           HA       TYR  33  -0.728  -4.559   5.725
  228   1HB   TYR  33          2HB       TYR  33  -1.361  -6.744   4.717
  229   2HB   TYR  33          1HB       TYR  33  -0.223  -7.555   5.792
  230    HD1  TYR  33           HD1      TYR  33  -1.032  -8.407   7.809
  231    HD2  TYR  33           HD2      TYR  33  -3.064  -5.102   5.964
  232    HE1  TYR  33           HE1      TYR  33  -2.756  -8.472   9.588
  233    HE2  TYR  33           HE2      TYR  33  -4.788  -5.167   7.745
  234    HH   TYR  33           HH       TYR  33  -4.615  -6.197  10.432
  235    H    GLU  34           H        GLU  34   0.744  -3.376   7.113
  236    HA   GLU  34           HA       GLU  34   1.948  -2.997   9.107
  237   1HB   GLU  34          2HB       GLU  34  -0.126  -4.856   9.527
  238   2HB   GLU  34          1HB       GLU  34   1.269  -5.520  10.376
  239   1HG   GLU  34          2HG       GLU  34   1.443  -3.693  11.807
  240   2HG   GLU  34          1HG       GLU  34   0.638  -2.602  10.678
  241    H    ILE  35           H        ILE  35   3.360  -4.598  10.810
  242    HA   ILE  35           HA       ILE  35   5.670  -5.391   9.208
  243    HB   ILE  35           HB       ILE  35   4.962  -5.509  12.160
  244   1HG1  ILE  35          2HG1      ILE  35   7.091  -3.770  10.975
  245   2HG1  ILE  35          1HG1      ILE  35   5.410  -3.310  10.707
  246   1HG2  ILE  35          1HG2      ILE  35   7.487  -5.792  12.422
  247   2HG2  ILE  35          2HG2      ILE  35   7.523  -6.212  10.710
  248   3HG2  ILE  35          3HG2      ILE  35   6.612  -7.210  11.844
  249   1HD1  ILE  35          1HD1      ILE  35   5.032  -2.854  12.929
  250   2HD1  ILE  35          2HD1      ILE  35   6.766  -2.535  12.892
  251   3HD1  ILE  35          3HD1      ILE  35   6.167  -4.085  13.483
  252   1HN   NH2  36          1HN       NH2  36   3.121  -8.406   9.893
  253   2HN   NH2  36          2HN       NH2  36   2.827  -6.655   9.825
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1  11.078   6.901   3.028
    2   2H    GLU   1          2H        GLU   1  11.305   8.339   2.153
    3   3H    GLU   1          3H        GLU   1  11.561   6.835   1.403
    4    HA   GLU   1           HA       GLU   1   8.937   7.866   2.372
    5   1HB   GLU   1          2HB       GLU   1  10.405   7.735  -0.254
    6   2HB   GLU   1          1HB       GLU   1   8.642   7.692  -0.240
    7   1HG   GLU   1          2HG       GLU   1   8.454   9.849   0.597
    8   2HG   GLU   1          1HG       GLU   1  10.035   9.796   1.377
    9    H    CYS   2           H        CYS   2   8.935   5.691   3.542
   10    HA   CYS   2           HA       CYS   2   8.002   3.543   1.675
   11   1HB   CYS   2          2HB       CYS   2  10.458   3.438   2.613
   12   2HB   CYS   2          1HB       CYS   2   9.672   2.947   4.113
   13    H    LEU   3           H        LEU   3   6.068   2.699   2.341
   14    HA   LEU   3           HA       LEU   3   5.125   3.337   5.115
   15   1HB   LEU   3          2HB       LEU   3   3.615   2.621   2.577
   16   2HB   LEU   3          1HB       LEU   3   2.883   3.111   4.103
   17    HG   LEU   3           HG       LEU   3   4.779   4.815   2.456
   18   1HD1  LEU   3          1HD1      LEU   3   2.532   4.474   1.417
   19   2HD1  LEU   3          2HD1      LEU   3   2.795   6.144   1.919
   20   3HD1  LEU   3          3HD1      LEU   3   1.785   5.078   2.896
   21   1HD2  LEU   3          1HD2      LEU   3   3.797   6.588   4.075
   22   2HD2  LEU   3          2HD2      LEU   3   5.013   5.484   4.718
   23   3HD2  LEU   3          3HD2      LEU   3   3.305   5.214   5.065
   24    H    GLY   4           H        GLY   4   5.519   1.574   6.416
   25   1HA   GLY   4          2HA       GLY   4   5.722  -1.136   5.461
   26   2HA   GLY   4          1HA       GLY   4   5.608  -0.652   7.153
   27    H    PHE   5           H        PHE   5   4.271  -2.897   6.544
   28    HA   PHE   5           HA       PHE   5   1.611  -2.675   5.539
   29   1HB   PHE   5          2HB       PHE   5   2.843  -4.777   5.901
   30   2HB   PHE   5          1HB       PHE   5   2.828  -4.501   7.641
   31    HD1  PHE   5           HD1      PHE   5   1.403  -6.056   8.640
   32    HD2  PHE   5           HD2      PHE   5   0.175  -4.118   5.007
   33    HE1  PHE   5           HE1      PHE   5  -0.812  -7.159   8.798
   34    HE2  PHE   5           HE2      PHE   5  -2.037  -5.222   5.167
   35    HZ   PHE   5           HZ       PHE   5  -2.532  -6.742   7.061
   36    H    GLY   6           H        GLY   6   0.069  -1.320   6.353
   37   1HA   GLY   6          2HA       GLY   6  -1.554  -0.965   8.189
   38   2HA   GLY   6          1HA       GLY   6  -0.215  -1.124   9.325
   39    H    LYS   7           H        LYS   7  -0.539   0.794   6.318
   40    HA   LYS   7           HA       LYS   7  -0.303   3.303   7.914
   41   1HB   LYS   7          2HB       LYS   7   1.712   2.030   6.165
   42   2HB   LYS   7          1HB       LYS   7   1.442   3.742   5.836
   43   1HG   LYS   7          2HG       LYS   7   2.231   4.407   7.896
   44   2HG   LYS   7          1HG       LYS   7   1.711   2.923   8.693
   45   1HD   LYS   7          2HD       LYS   7   3.594   2.004   6.901
   46   2HD   LYS   7          1HD       LYS   7   4.272   3.553   7.401
   47   1HE   LYS   7          2HE       LYS   7   3.174   1.750   9.534
   48   2HE   LYS   7          1HE       LYS   7   4.754   1.358   8.828
   49   1HZ   LYS   7          1HZ       LYS   7   5.012   2.896  10.676
   50   2HZ   LYS   7          2HZ       LYS   7   3.951   4.000   9.940
   51   3HZ   LYS   7          3HZ       LYS   7   5.451   3.649   9.222
   52    H    GLY   8           H        GLY   8  -1.615   4.874   7.052
   53   1HA   GLY   8          2HA       GLY   8  -3.332   4.321   4.821
   54   2HA   GLY   8          1HA       GLY   8  -3.173   5.884   5.619
   55    H    CYS   9           H        CYS   9  -3.108   4.791   2.676
   56    HA   CYS   9           HA       CYS   9  -0.924   6.628   1.795
   57   1HB   CYS   9          2HB       CYS   9  -0.344   4.847   0.073
   58   2HB   CYS   9          1HB       CYS   9   0.047   4.419   1.737
   59    H    ASN  10           H        ASN  10  -1.177   6.557  -0.870
   60    HA   ASN  10           HA       ASN  10  -4.057   7.228  -1.363
   61   1HB   ASN  10          2HB       ASN  10  -1.828   8.768  -1.565
   62   2HB   ASN  10          1HB       ASN  10  -1.896   8.116  -3.202
   63   1HD2  ASN  10          1HD2      ASN  10  -3.876   9.885  -0.779
   64   2HD2  ASN  10          2HD2      ASN  10  -4.882  10.632  -1.924
   65    HA   PRO  11           HA       PRO  11  -4.206   3.846  -4.215
   66   1HB   PRO  11          2HB       PRO  11  -6.310   4.685  -5.760
   67   2HB   PRO  11          1HB       PRO  11  -6.509   4.018  -4.127
   68   1HG   PRO  11          2HG       PRO  11  -6.501   6.859  -5.022
   69   2HG   PRO  11          1HG       PRO  11  -7.526   6.057  -3.820
   70   1HD   PRO  11          2HD       PRO  11  -5.410   7.614  -3.146
   71   2HD   PRO  11          1HD       PRO  11  -5.953   6.240  -2.158
   72    H    SER  12           H        SER  12  -4.236   7.185  -5.481
   73    HA   SER  12           HA       SER  12  -3.303   6.380  -8.146
   74   1HB   SER  12          2HB       SER  12  -3.271   8.818  -8.499
   75   2HB   SER  12          1HB       SER  12  -4.763   8.346  -7.692
   76    HG   SER  12           HG       SER  12  -2.613   9.830  -6.775
   77    H    ASN  13           H        ASN  13  -1.871   7.463  -5.111
   78    HA   ASN  13           HA       ASN  13   0.844   7.471  -6.380
   79   1HB   ASN  13          2HB       ASN  13  -0.169   9.537  -5.214
   80   2HB   ASN  13          1HB       ASN  13   0.015   8.639  -3.709
   81   1HD2  ASN  13          1HD2      ASN  13   1.471  11.068  -4.189
   82   2HD2  ASN  13          2HD2      ASN  13   3.121  10.684  -4.311
   83    H    ASP  14           H        ASP  14   0.303   4.967  -6.088
   84    HA   ASP  14           HA       ASP  14   0.361   3.782  -3.470
   85   1HB   ASP  14          2HB       ASP  14   1.307   2.703  -6.151
   86   2HB   ASP  14          1HB       ASP  14   0.877   1.734  -4.743
   87    H    GLN  15           H        GLN  15   2.049   4.033  -2.061
   88    HA   GLN  15           HA       GLN  15   4.830   3.725  -3.118
   89   1HB   GLN  15          2HB       GLN  15   5.474   5.654  -1.662
   90   2HB   GLN  15          1HB       GLN  15   4.332   6.113  -2.924
   91   1HG   GLN  15          2HG       GLN  15   2.575   6.387  -1.430
   92   2HG   GLN  15          1HG       GLN  15   3.253   5.252  -0.263
   93   1HE2  GLN  15          1HE2      GLN  15   3.285   8.610  -1.326
   94   2HE2  GLN  15          2HE2      GLN  15   4.282   9.188  -0.079
   95    H    CYS  16           H        CYS  16   3.180   1.778  -1.705
   96    HA   CYS  16           HA       CYS  16   3.839   1.712   1.117
   97   1HB   CYS  16          2HB       CYS  16   3.033  -0.437  -0.873
   98   2HB   CYS  16          1HB       CYS  16   3.048  -0.651   0.876
   99    H    CYS  17           H        CYS  17   5.285  -0.037   2.060
  100    HA   CYS  17           HA       CYS  17   7.943   0.106   0.954
  101   1HB   CYS  17          2HB       CYS  17   6.549  -1.363   3.176
  102   2HB   CYS  17          1HB       CYS  17   8.204  -1.806   2.761
  103    H    LYS  18           H        LYS  18   8.924  -1.210  -0.516
  104    HA   LYS  18           HA       LYS  18   7.410  -3.325  -1.849
  105   1HB   LYS  18          2HB       LYS  18   9.387  -3.390  -3.294
  106   2HB   LYS  18          1HB       LYS  18   8.951  -1.714  -2.967
  107   1HG   LYS  18          2HG       LYS  18  11.016  -1.352  -2.149
  108   2HG   LYS  18          1HG       LYS  18  10.711  -2.543  -0.886
  109   1HD   LYS  18          2HD       LYS  18  12.433  -3.674  -1.853
  110   2HD   LYS  18          1HD       LYS  18  11.213  -4.171  -3.026
  111   1HE   LYS  18          2HE       LYS  18  12.678  -3.257  -4.543
  112   2HE   LYS  18          1HE       LYS  18  11.947  -1.722  -4.034
  113   1HZ   LYS  18          1HZ       LYS  18  14.349  -1.640  -3.777
  114   2HZ   LYS  18          2HZ       LYS  18  14.318  -3.022  -2.790
  115   3HZ   LYS  18          3HZ       LYS  18  13.597  -1.578  -2.258
  116    H    SER  19           H        SER  19   9.433  -3.283   0.926
  117    HA   SER  19           HA       SER  19  10.864  -5.729   0.741
  118   1HB   SER  19          2HB       SER  19  10.359  -3.707   2.611
  119   2HB   SER  19          1HB       SER  19   9.750  -5.167   3.385
  120    HG   SER  19           HG       SER  19  11.728  -5.853   3.582
  121    H    SER  20           H        SER  20   7.524  -5.106   1.879
  122    HA   SER  20           HA       SER  20   7.061  -8.065   1.987
  123   1HB   SER  20          2HB       SER  20   6.699  -6.558   3.997
  124   2HB   SER  20          1HB       SER  20   5.388  -5.796   3.103
  125    HG   SER  20           HG       SER  20   4.198  -7.541   3.350
  126    H    ASN  21           H        ASN  21   6.857  -5.874  -0.355
  127    HA   ASN  21           HA       ASN  21   5.457  -5.496  -2.212
  128   1HB   ASN  21          2HB       ASN  21   6.029  -8.037  -2.084
  129   2HB   ASN  21          1HB       ASN  21   4.352  -8.234  -1.580
  130   1HD2  ASN  21          1HD2      ASN  21   4.633  -9.486  -3.872
  131   2HD2  ASN  21          2HD2      ASN  21   4.159  -8.572  -5.221
  132    H    LEU  22           H        LEU  22   4.327  -4.016  -0.410
  133    HA   LEU  22           HA       LEU  22   1.557  -4.944   0.176
  134   1HB   LEU  22          2HB       LEU  22   3.219  -2.555   1.038
  135   2HB   LEU  22          1HB       LEU  22   1.571  -2.859   1.589
  136    HG   LEU  22           HG       LEU  22   3.673  -4.997   1.869
  137   1HD1  LEU  22          1HD1      LEU  22   4.121  -4.124   4.156
  138   2HD1  LEU  22          2HD1      LEU  22   3.159  -2.696   3.777
  139   3HD1  LEU  22          3HD1      LEU  22   4.657  -3.009   2.900
  140   1HD2  LEU  22          1HD2      LEU  22   1.353  -5.624   2.283
  141   2HD2  LEU  22          2HD2      LEU  22   1.143  -4.252   3.371
  142   3HD2  LEU  22          3HD2      LEU  22   2.214  -5.578   3.822
  143    H    VAL  23           H        VAL  23  -0.269  -3.624  -0.440
  144    HA   VAL  23           HA       VAL  23   0.261  -1.665  -2.654
  145    HB   VAL  23           HB       VAL  23  -1.809  -2.651  -3.719
  146   1HG1  VAL  23          1HG1      VAL  23   0.549  -3.335  -4.310
  147   2HG1  VAL  23          2HG1      VAL  23  -0.668  -4.570  -4.632
  148   3HG1  VAL  23          3HG1      VAL  23   0.365  -4.699  -3.208
  149   1HG2  VAL  23          1HG2      VAL  23  -2.650  -3.637  -1.528
  150   2HG2  VAL  23          2HG2      VAL  23  -1.422  -4.889  -1.710
  151   3HG2  VAL  23          3HG2      VAL  23  -2.706  -4.731  -2.909
  152    H    CYS  24           H        CYS  24  -1.241   0.091  -2.762
  153    HA   CYS  24           HA       CYS  24  -2.494   0.806  -0.219
  154   1HB   CYS  24          2HB       CYS  24  -1.299   2.246  -2.066
  155   2HB   CYS  24          1HB       CYS  24  -2.888   2.248  -2.831
  156    H    SER  25           H        SER  25  -4.437  -0.114   0.315
  157    HA   SER  25           HA       SER  25  -6.302  -1.174  -1.655
  158   1HB   SER  25          2HB       SER  25  -5.820  -1.915   0.769
  159   2HB   SER  25          1HB       SER  25  -6.823  -0.554   1.262
  160    HG   SER  25           HG       SER  25  -8.079  -2.421   1.057
  161    H    ARG  26           H        ARG  26  -8.389  -0.318  -2.167
  162    HA   ARG  26           HA       ARG  26  -8.587   2.632  -1.987
  163   1HB   ARG  26          2HB       ARG  26 -10.278   2.341  -3.699
  164   2HB   ARG  26          1HB       ARG  26  -8.928   1.277  -4.091
  165   1HG   ARG  26          2HG       ARG  26 -10.135  -0.612  -3.007
  166   2HG   ARG  26          1HG       ARG  26 -11.501   0.461  -2.704
  167   1HD   ARG  26          2HD       ARG  26 -10.514   0.383  -5.513
  168   2HD   ARG  26          1HD       ARG  26 -11.341  -1.074  -4.927
  169    HE   ARG  26           HE       ARG  26 -12.916   1.061  -4.034
  170   1HH1  ARG  26          1HH2      ARG  26 -13.882  -1.038  -5.966
  171   2HH1  ARG  26          2HH2      ARG  26 -14.287  -0.086  -7.354
  172   1HH2  ARG  26          2HH1      ARG  26 -12.504   2.702  -6.289
  173   2HH2  ARG  26          1HH1      ARG  26 -13.504   2.039  -7.538
  174    H    ALA  27           H        ALA  27  -9.933  -0.160  -0.404
  175    HA   ALA  27           HA       ALA  27 -12.457   0.999   0.419
  176   1HB   ALA  27          1HB       ALA  27 -12.621  -0.994   1.727
  177   2HB   ALA  27          2HB       ALA  27 -10.867  -1.165   1.811
  178   3HB   ALA  27          3HB       ALA  27 -11.710  -1.457   0.289
  179    H    HIS  28           H        HIS  28  -9.322   0.568   2.082
  180    HA   HIS  28           HA       HIS  28 -10.221   2.561   4.138
  181   1HB   HIS  28          2HB       HIS  28  -8.567   0.069   4.151
  182   2HB   HIS  28          1HB       HIS  28  -8.173   1.325   5.325
  183    HD1  HIS  28           HD1      HIS  28  -9.724   1.602   7.306
  184    HD2  HIS  28           HD2      HIS  28 -11.317  -0.908   4.383
  185    HE1  HIS  28           HE1      HIS  28 -11.828   0.596   8.294
  186    H    ARG  29           H        ARG  29  -8.266   2.355   1.416
  187    HA   ARG  29           HA       ARG  29  -6.462   3.641   0.615
  188   1HB   ARG  29          2HB       ARG  29  -8.108   5.241   2.446
  189   2HB   ARG  29          1HB       ARG  29  -6.466   5.861   2.289
  190   1HG   ARG  29          2HG       ARG  29  -7.713   6.908   0.544
  191   2HG   ARG  29          1HG       ARG  29  -6.771   5.640  -0.240
  192   1HD   ARG  29          2HD       ARG  29  -8.918   5.289  -1.149
  193   2HD   ARG  29          1HD       ARG  29  -8.920   4.164   0.223
  194    HE   ARG  29           HE       ARG  29  -9.869   6.316   1.479
  195   1HH1  ARG  29          2HH1      ARG  29 -10.387   7.793  -1.057
  196   2HH1  ARG  29          1HH1      ARG  29 -12.021   7.351  -1.422
  197   1HH2  ARG  29          1HH2      ARG  29 -12.047   4.626   0.734
  198   2HH2  ARG  29          2HH2      ARG  29 -12.963   5.554  -0.406
  199    H    TRP  30           H        TRP  30  -5.378   1.658   1.977
  200    HA   TRP  30           HA       TRP  30  -3.146   2.913   3.477
  201   1HB   TRP  30          2HB       TRP  30  -3.512   1.628   5.452
  202   2HB   TRP  30          1HB       TRP  30  -5.102   2.252   5.019
  203    HD1  TRP  30           HD1      TRP  30  -6.365   0.414   3.132
  204    HE1  TRP  30           HE1      TRP  30  -6.714  -2.106   3.537
  205    HE3  TRP  30           HE3      TRP  30  -2.803  -0.396   6.690
  206    HZ2  TRP  30           HZ2      TRP  30  -5.621  -4.192   5.158
  207    HZ3  TRP  30           HZ3      TRP  30  -2.475  -2.658   7.646
  208    HH2  TRP  30           HH2      TRP  30  -3.878  -4.555   6.886
  209    H    CYS  31           H        CYS  31  -1.407   1.233   3.914
  210    HA   CYS  31           HA       CYS  31  -0.957  -0.379   1.509
  211   1HB   CYS  31          2HB       CYS  31   0.579   0.168   4.066
  212   2HB   CYS  31          1HB       CYS  31   1.205  -0.870   2.786
  213    H    LYS  32           H        LYS  32  -2.198  -2.237   1.442
  214    HA   LYS  32           HA       LYS  32  -2.343  -3.948   3.892
  215   1HB   LYS  32          2HB       LYS  32  -4.327  -4.868   2.850
  216   2HB   LYS  32          1HB       LYS  32  -4.422  -3.114   2.720
  217   1HG   LYS  32          2HG       LYS  32  -3.841  -3.137   0.422
  218   2HG   LYS  32          1HG       LYS  32  -3.242  -4.793   0.503
  219   1HD   LYS  32          2HD       LYS  32  -6.126  -4.154   1.107
  220   2HD   LYS  32          1HD       LYS  32  -5.578  -4.407  -0.550
  221   1HE   LYS  32          2HE       LYS  32  -4.892  -6.655  -0.090
  222   2HE   LYS  32          1HE       LYS  32  -5.026  -6.408   1.662
  223   1HZ   LYS  32          1HZ       LYS  32  -6.995  -7.523   0.787
  224   2HZ   LYS  32          2HZ       LYS  32  -7.271  -6.233  -0.283
  225   3HZ   LYS  32          3HZ       LYS  32  -7.391  -5.991   1.395
  226    H    TYR  33           H        TYR  33  -2.221  -6.353   3.440
  227    HA   TYR  33           HA       TYR  33  -0.105  -6.911   1.393
  228   1HB   TYR  33          2HB       TYR  33   0.434  -7.265   3.796
  229   2HB   TYR  33          1HB       TYR  33  -0.913  -8.397   3.920
  230    HD1  TYR  33           HD1      TYR  33  -0.285 -10.635   3.879
  231    HD2  TYR  33           HD2      TYR  33   1.924  -7.804   1.522
  232    HE1  TYR  33           HE1      TYR  33   1.165 -12.463   3.040
  233    HE2  TYR  33           HE2      TYR  33   3.374  -9.632   0.684
  234    HH   TYR  33           HH       TYR  33   2.751 -12.561   0.564
  235    H    GLU  34           H        GLU  34  -0.376  -8.735   0.009
  236    HA   GLU  34           HA       GLU  34  -3.140  -9.436  -0.627
  237   1HB   GLU  34          2HB       GLU  34  -0.880  -9.148  -2.048
  238   2HB   GLU  34          1HB       GLU  34  -0.794 -10.888  -1.769
  239   1HG   GLU  34          2HG       GLU  34  -2.914 -11.258  -2.814
  240   2HG   GLU  34          1HG       GLU  34  -3.285  -9.533  -2.825
  241    H    ILE  35           H        ILE  35  -3.929 -11.674  -0.700
  242    HA   ILE  35           HA       ILE  35  -3.345 -13.178   1.714
  243    HB   ILE  35           HB       ILE  35  -4.980 -13.773  -0.779
  244   1HG1  ILE  35          2HG1      ILE  35  -6.051 -13.014   1.933
  245   2HG1  ILE  35          1HG1      ILE  35  -5.487 -11.759   0.831
  246   1HG2  ILE  35          1HG2      ILE  35  -4.679 -15.218   1.852
  247   2HG2  ILE  35          2HG2      ILE  35  -4.667 -15.885   0.219
  248   3HG2  ILE  35          3HG2      ILE  35  -6.180 -15.325   0.931
  249   1HD1  ILE  35          1HD1      ILE  35  -7.844 -13.572   0.592
  250   2HD1  ILE  35          2HD1      ILE  35  -7.002 -13.138  -0.896
  251   3HD1  ILE  35          3HD1      ILE  35  -7.679 -11.877   0.135
  252   1HN   NH2  36          1HN       NH2  36  -1.181 -14.383  -1.501
  253   2HN   NH2  36          2HN       NH2  36  -2.104 -12.877  -1.310
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1  11.479   9.055  -0.761
    2   2H    GLU   1          2H        GLU   1   9.784   9.171  -0.769
    3   3H    GLU   1          3H        GLU   1  10.583   8.273  -1.970
    4    HA   GLU   1           HA       GLU   1  11.363   6.689  -0.281
    5   1HB   GLU   1          2HB       GLU   1   9.989   8.782   1.382
    6   2HB   GLU   1          1HB       GLU   1  10.032   7.120   1.973
    7   1HG   GLU   1          2HG       GLU   1  12.525   7.133   1.628
    8   2HG   GLU   1          1HG       GLU   1  12.413   8.850   1.240
    9    H    CYS   2           H        CYS   2  10.117   4.802  -0.216
   10    HA   CYS   2           HA       CYS   2   7.290   5.045  -1.160
   11   1HB   CYS   2          2HB       CYS   2   7.632   2.751  -1.931
   12   2HB   CYS   2          1HB       CYS   2   8.988   3.742  -2.464
   13    H    LEU   3           H        LEU   3   5.758   3.365  -0.225
   14    HA   LEU   3           HA       LEU   3   6.171   3.152   2.729
   15   1HB   LEU   3          2HB       LEU   3   3.733   3.014   0.922
   16   2HB   LEU   3          1HB       LEU   3   3.671   2.826   2.674
   17    HG   LEU   3           HG       LEU   3   4.872   5.259   1.327
   18   1HD1  LEU   3          1HD1      LEU   3   2.773   6.408   1.727
   19   2HD1  LEU   3          2HD1      LEU   3   2.088   4.975   2.494
   20   3HD1  LEU   3          3HD1      LEU   3   2.439   4.968   0.765
   21   1HD2  LEU   3          1HD2      LEU   3   5.584   4.876   3.641
   22   2HD2  LEU   3          2HD2      LEU   3   3.906   4.680   4.147
   23   3HD2  LEU   3          3HD2      LEU   3   4.479   6.250   3.584
   24    H    GLY   4           H        GLY   4   5.548   1.113   3.784
   25   1HA   GLY   4          2HA       GLY   4   5.671  -1.260   1.963
   26   2HA   GLY   4          1HA       GLY   4   6.572  -1.203   3.477
   27    H    PHE   5           H        PHE   5   5.438  -3.062   4.275
   28    HA   PHE   5           HA       PHE   5   2.536  -3.131   4.485
   29   1HB   PHE   5          2HB       PHE   5   3.972  -5.132   4.358
   30   2HB   PHE   5          1HB       PHE   5   4.750  -4.680   5.874
   31    HD1  PHE   5           HD1      PHE   5   3.863  -5.415   7.917
   32    HD2  PHE   5           HD2      PHE   5   1.381  -5.429   4.410
   33    HE1  PHE   5           HE1      PHE   5   2.074  -6.570   9.187
   34    HE2  PHE   5           HE2      PHE   5  -0.407  -6.585   5.680
   35    HZ   PHE   5           HZ       PHE   5  -0.061  -7.155   8.069
   36    H    GLY   6           H        GLY   6   1.260  -2.476   6.213
   37   1HA   GLY   6          2HA       GLY   6   0.695  -1.614   8.335
   38   2HA   GLY   6          1HA       GLY   6   2.357  -1.903   8.848
   39    H    LYS   7           H        LYS   7   1.332   0.053   6.057
   40    HA   LYS   7           HA       LYS   7   2.303   2.505   7.488
   41   1HB   LYS   7          2HB       LYS   7   3.045   1.337   4.803
   42   2HB   LYS   7          1HB       LYS   7   3.248   3.059   5.125
   43   1HG   LYS   7          2HG       LYS   7   4.359   1.956   7.374
   44   2HG   LYS   7          1HG       LYS   7   4.789   0.761   6.150
   45   1HD   LYS   7          2HD       LYS   7   6.397   2.121   5.361
   46   2HD   LYS   7          1HD       LYS   7   5.198   3.376   5.047
   47   1HE   LYS   7          2HE       LYS   7   5.366   3.888   7.593
   48   2HE   LYS   7          1HE       LYS   7   6.880   2.965   7.521
   49   1HZ   LYS   7          1HZ       LYS   7   6.152   5.287   5.810
   50   2HZ   LYS   7          2HZ       LYS   7   7.561   4.353   5.632
   51   3HZ   LYS   7          3HZ       LYS   7   7.322   5.276   7.037
   52    H    GLY   8           H        GLY   8   0.798   4.129   7.370
   53   1HA   GLY   8          2HA       GLY   8  -1.666   3.828   5.924
   54   2HA   GLY   8          1HA       GLY   8  -1.130   5.303   6.726
   55    H    CYS   9           H        CYS   9  -2.195   4.445   3.868
   56    HA   CYS   9           HA       CYS   9  -0.451   6.376   2.416
   57   1HB   CYS   9          2HB       CYS   9  -0.115   4.802   0.608
   58   2HB   CYS   9          1HB       CYS   9   0.323   3.983   2.106
   59    H    ASN  10           H        ASN  10  -1.533   6.615   0.058
   60    HA   ASN  10           HA       ASN  10  -4.465   7.031   0.529
   61   1HB   ASN  10          2HB       ASN  10  -2.259   8.582  -0.566
   62   2HB   ASN  10          1HB       ASN  10  -3.588   8.476  -1.721
   63   1HD2  ASN  10          1HD2      ASN  10  -4.762  10.398  -1.481
   64   2HD2  ASN  10          2HD2      ASN  10  -5.275  11.034   0.007
   65    HA   PRO  11           HA       PRO  11  -5.147   3.979  -2.617
   66   1HB   PRO  11          2HB       PRO  11  -7.783   4.534  -3.120
   67   2HB   PRO  11          1HB       PRO  11  -7.235   3.651  -1.682
   68   1HG   PRO  11          2HG       PRO  11  -8.032   6.503  -1.962
   69   2HG   PRO  11          1HG       PRO  11  -8.336   5.369  -0.637
   70   1HD   PRO  11          2HD       PRO  11  -6.399   7.291  -0.561
   71   2HD   PRO  11          1HD       PRO  11  -6.305   5.763   0.342
   72    H    SER  12           H        SER  12  -6.287   7.338  -3.149
   73    HA   SER  12           HA       SER  12  -6.483   7.186  -6.016
   74   1HB   SER  12          2HB       SER  12  -7.331   8.933  -4.262
   75   2HB   SER  12          1HB       SER  12  -5.741   9.664  -4.461
   76    HG   SER  12           HG       SER  12  -6.320  10.349  -6.367
   77    H    ASN  13           H        ASN  13  -3.889   8.565  -3.938
   78    HA   ASN  13           HA       ASN  13  -2.016   8.361  -6.263
   79   1HB   ASN  13          2HB       ASN  13  -2.586  10.494  -4.763
   80   2HB   ASN  13          1HB       ASN  13  -1.382   9.775  -3.694
   81   1HD2  ASN  13          1HD2      ASN  13   0.785   9.200  -4.820
   82   2HD2  ASN  13          2HD2      ASN  13   1.319  10.240  -6.050
   83    H    ASP  14           H        ASP  14  -2.287   5.908  -5.465
   84    HA   ASP  14           HA       ASP  14  -0.961   5.033  -3.079
   85   1HB   ASP  14          2HB       ASP  14  -1.013   2.837  -4.225
   86   2HB   ASP  14          1HB       ASP  14  -2.543   3.687  -4.420
   87    H    GLN  15           H        GLN  15   1.188   4.903  -2.615
   88    HA   GLN  15           HA       GLN  15   3.166   4.856  -4.861
   89   1HB   GLN  15          2HB       GLN  15   2.539   7.135  -3.584
   90   2HB   GLN  15          1HB       GLN  15   3.715   6.508  -2.429
   91   1HG   GLN  15          2HG       GLN  15   5.455   6.916  -3.818
   92   2HG   GLN  15          1HG       GLN  15   4.604   6.252  -5.213
   93   1HE2  GLN  15          1HE2      GLN  15   5.435   9.210  -3.540
   94   2HE2  GLN  15          2HE2      GLN  15   4.661  10.268  -4.618
   95    H    CYS  16           H        CYS  16   2.325   2.634  -3.272
   96    HA   CYS  16           HA       CYS  16   4.178   2.207  -1.054
   97   1HB   CYS  16          2HB       CYS  16   1.792   1.131  -2.021
   98   2HB   CYS  16          1HB       CYS  16   2.968  -0.155  -2.287
   99    H    CYS  17           H        CYS  17   5.952   0.703  -1.063
  100    HA   CYS  17           HA       CYS  17   7.616   0.718  -3.414
  101   1HB   CYS  17          2HB       CYS  17   7.751   0.058  -0.644
  102   2HB   CYS  17          1HB       CYS  17   8.329  -1.347  -1.538
  103    H    LYS  18           H        LYS  18   7.870  -0.840  -5.011
  104    HA   LYS  18           HA       LYS  18   5.831  -2.957  -5.204
  105   1HB   LYS  18          2HB       LYS  18   6.744  -3.199  -7.467
  106   2HB   LYS  18          1HB       LYS  18   6.518  -1.491  -7.101
  107   1HG   LYS  18          2HG       LYS  18   9.145  -2.308  -6.237
  108   2HG   LYS  18          1HG       LYS  18   8.911  -2.780  -7.919
  109   1HD   LYS  18          2HD       LYS  18   8.003  -0.048  -7.131
  110   2HD   LYS  18          1HD       LYS  18   9.742  -0.320  -7.241
  111   1HE   LYS  18          2HE       LYS  18   8.611  -1.555  -9.535
  112   2HE   LYS  18          1HE       LYS  18   7.855   0.044  -9.394
  113   1HZ   LYS  18          1HZ       LYS  18  10.048   1.016  -9.069
  114   2HZ   LYS  18          2HZ       LYS  18   9.977   0.193 -10.553
  115   3HZ   LYS  18          3HZ       LYS  18  10.773  -0.510  -9.228
  116    H    SER  19           H        SER  19   8.745  -2.868  -3.589
  117    HA   SER  19           HA       SER  19  10.139  -5.216  -4.395
  118   1HB   SER  19          2HB       SER  19  10.836  -3.394  -2.771
  119   2HB   SER  19          1HB       SER  19   9.771  -4.136  -1.581
  120    HG   SER  19           HG       SER  19  11.396  -5.401  -1.188
  121    H    SER  20           H        SER  20   7.557  -4.812  -1.937
  122    HA   SER  20           HA       SER  20   7.253  -7.783  -1.808
  123   1HB   SER  20          2HB       SER  20   7.625  -6.365   0.246
  124   2HB   SER  20          1HB       SER  20   6.074  -5.595  -0.070
  125    HG   SER  20           HG       SER  20   6.667  -8.217   0.730
  126    H    ASN  21           H        ASN  21   5.986  -5.328  -3.629
  127    HA   ASN  21           HA       ASN  21   3.992  -5.050  -4.842
  128   1HB   ASN  21          2HB       ASN  21   4.702  -7.745  -4.725
  129   2HB   ASN  21          1HB       ASN  21   2.993  -7.751  -4.295
  130   1HD2  ASN  21          1HD2      ASN  21   1.447  -6.984  -5.912
  131   2HD2  ASN  21          2HD2      ASN  21   1.899  -6.773  -7.535
  132    H    LEU  22           H        LEU  22   3.531  -3.770  -2.640
  133    HA   LEU  22           HA       LEU  22   1.294  -4.981  -1.094
  134   1HB   LEU  22          2HB       LEU  22   3.012  -2.500  -0.852
  135   2HB   LEU  22          1HB       LEU  22   1.640  -2.802   0.215
  136    HG   LEU  22           HG       LEU  22   3.408  -5.127  -0.060
  137   1HD1  LEU  22          1HD1      LEU  22   5.185  -4.124   1.403
  138   2HD1  LEU  22          2HD1      LEU  22   4.465  -2.540   1.115
  139   3HD1  LEU  22          3HD1      LEU  22   5.157  -3.451  -0.227
  140   1HD2  LEU  22          1HD2      LEU  22   2.227  -3.504   2.210
  141   2HD2  LEU  22          2HD2      LEU  22   3.256  -4.911   2.477
  142   3HD2  LEU  22          3HD2      LEU  22   1.715  -5.092   1.640
  143    H    VAL  23           H        VAL  23  -0.709  -3.708  -0.783
  144    HA   VAL  23           HA       VAL  23  -1.311  -1.855  -3.066
  145    HB   VAL  23           HB       VAL  23  -3.588  -2.937  -3.063
  146   1HG1  VAL  23          1HG1      VAL  23  -2.882  -4.907  -4.282
  147   2HG1  VAL  23          2HG1      VAL  23  -1.314  -4.899  -3.474
  148   3HG1  VAL  23          3HG1      VAL  23  -1.727  -3.615  -4.610
  149   1HG2  VAL  23          1HG2      VAL  23  -3.316  -3.816  -0.674
  150   2HG2  VAL  23          2HG2      VAL  23  -2.289  -5.077  -1.355
  151   3HG2  VAL  23          3HG2      VAL  23  -3.980  -4.959  -1.840
  152    H    CYS  24           H        CYS  24  -2.565  -0.052  -2.540
  153    HA   CYS  24           HA       CYS  24  -2.774   0.636   0.309
  154   1HB   CYS  24          2HB       CYS  24  -3.094   1.956  -2.359
  155   2HB   CYS  24          1HB       CYS  24  -3.863   2.721  -0.969
  156    H    SER  25           H        SER  25  -4.525  -0.049   1.467
  157    HA   SER  25           HA       SER  25  -7.069  -0.726   0.114
  158   1HB   SER  25          2HB       SER  25  -5.940  -0.973   2.910
  159   2HB   SER  25          1HB       SER  25  -7.611  -1.388   2.542
  160    HG   SER  25           HG       SER  25  -6.624  -3.249   2.147
  161    H    ARG  26           H        ARG  26  -9.018   0.399   0.458
  162    HA   ARG  26           HA       ARG  26  -8.767   3.191   1.375
  163   1HB   ARG  26          2HB       ARG  26  -9.990   2.328  -0.700
  164   2HB   ARG  26          1HB       ARG  26 -11.221   1.707   0.400
  165   1HG   ARG  26          2HG       ARG  26 -12.125   3.755   0.655
  166   2HG   ARG  26          1HG       ARG  26 -10.556   4.454   1.056
  167   1HD   ARG  26          2HD       ARG  26 -10.101   4.296  -1.523
  168   2HD   ARG  26          1HD       ARG  26 -11.868   4.195  -1.644
  169    HE   ARG  26           HE       ARG  26 -10.342   6.505  -0.577
  170   1HH1  ARG  26          2HH1      ARG  26 -12.653   6.216   1.197
  171   2HH1  ARG  26          1HH1      ARG  26 -13.913   7.061   0.360
  172   1HH2  ARG  26          1HH2      ARG  26 -12.259   7.042  -2.697
  173   2HH2  ARG  26          2HH2      ARG  26 -13.689   7.530  -1.851
  174    H    ALA  27           H        ALA  27  -9.852   0.160   2.710
  175    HA   ALA  27           HA       ALA  27 -11.866   1.017   4.526
  176   1HB   ALA  27          1HB       ALA  27 -11.589  -1.296   4.261
  177   2HB   ALA  27          2HB       ALA  27 -10.857  -1.022   5.842
  178   3HB   ALA  27          3HB       ALA  27  -9.834  -1.198   4.416
  179    H    HIS  28           H        HIS  28  -8.367   0.572   5.166
  180    HA   HIS  28           HA       HIS  28  -8.638   2.488   7.463
  181   1HB   HIS  28          2HB       HIS  28  -7.144  -0.064   6.991
  182   2HB   HIS  28          1HB       HIS  28  -6.426   1.127   8.075
  183    HD1  HIS  28           HD1      HIS  28  -7.240  -1.356   9.469
  184    HD2  HIS  28           HD2      HIS  28  -9.979   1.712   8.783
  185    HE1  HIS  28           HE1      HIS  28  -9.101  -1.664  11.158
  186    H    ARG  29           H        ARG  29  -7.825   2.812   4.422
  187    HA   ARG  29           HA       ARG  29  -6.192   3.989   3.178
  188   1HB   ARG  29          2HB       ARG  29  -6.429   5.397   5.846
  189   2HB   ARG  29          1HB       ARG  29  -5.493   6.074   4.514
  190   1HG   ARG  29          2HG       ARG  29  -7.541   5.873   3.064
  191   2HG   ARG  29          1HG       ARG  29  -8.447   5.402   4.503
  192   1HD   ARG  29          2HD       ARG  29  -7.391   7.621   5.509
  193   2HD   ARG  29          1HD       ARG  29  -7.279   8.073   3.797
  194    HE   ARG  29           HE       ARG  29  -9.851   7.106   4.993
  195   1HH1  ARG  29          2HH1      ARG  29  -9.551  10.024   5.205
  196   2HH1  ARG  29          1HH1      ARG  29 -10.211  10.600   3.711
  197   1HH2  ARG  29          1HH2      ARG  29 -10.024   7.509   2.132
  198   2HH2  ARG  29          2HH2      ARG  29 -10.479   9.172   1.966
  199    H    TRP  30           H        TRP  30  -4.929   1.748   3.871
  200    HA   TRP  30           HA       TRP  30  -2.201   2.663   4.602
  201   1HB   TRP  30          2HB       TRP  30  -1.987   1.106   6.397
  202   2HB   TRP  30          1HB       TRP  30  -3.549   1.877   6.644
  203    HD1  TRP  30           HD1      TRP  30  -5.580   0.401   5.119
  204    HE1  TRP  30           HE1      TRP  30  -6.025  -2.128   5.349
  205    HE3  TRP  30           HE3      TRP  30  -1.117  -1.097   7.086
  206    HZ2  TRP  30           HZ2      TRP  30  -4.663  -4.478   6.251
  207    HZ3  TRP  30           HZ3      TRP  30  -0.715  -3.483   7.621
  208    HH2  TRP  30           HH2      TRP  30  -2.480  -5.174   7.207
  209    H    CYS  31           H        CYS  31  -0.622   0.737   4.261
  210    HA   CYS  31           HA       CYS  31  -1.395  -0.615   1.718
  211   1HB   CYS  31          2HB       CYS  31   0.812   0.858   2.554
  212   2HB   CYS  31          1HB       CYS  31   1.384  -0.809   2.615
  213    H    LYS  32           H        LYS  32  -1.546  -2.824   1.605
  214    HA   LYS  32           HA       LYS  32  -0.462  -4.479   3.845
  215   1HB   LYS  32          2HB       LYS  32  -2.652  -5.639   3.953
  216   2HB   LYS  32          1HB       LYS  32  -2.823  -3.921   4.304
  217   1HG   LYS  32          2HG       LYS  32  -4.118  -3.565   2.481
  218   2HG   LYS  32          1HG       LYS  32  -3.069  -4.529   1.443
  219   1HD   LYS  32          2HD       LYS  32  -5.158  -5.689   1.514
  220   2HD   LYS  32          1HD       LYS  32  -4.071  -6.590   2.571
  221   1HE   LYS  32          2HE       LYS  32  -5.205  -5.976   4.487
  222   2HE   LYS  32          1HE       LYS  32  -5.673  -4.397   3.827
  223   1HZ   LYS  32          1HZ       LYS  32  -7.199  -5.492   2.323
  224   2HZ   LYS  32          2HZ       LYS  32  -7.564  -5.935   3.922
  225   3HZ   LYS  32          3HZ       LYS  32  -6.739  -7.017   2.906
  226    H    TYR  33           H        TYR  33  -0.372  -6.823   3.226
  227    HA   TYR  33           HA       TYR  33   0.103  -7.124   0.287
  228   1HB   TYR  33          2HB       TYR  33   1.971  -7.474   1.927
  229   2HB   TYR  33          1HB       TYR  33   1.050  -8.799   2.638
  230    HD1  TYR  33           HD1      TYR  33   1.941 -10.865   2.011
  231    HD2  TYR  33           HD2      TYR  33   1.720  -7.709  -0.895
  232    HE1  TYR  33           HE1      TYR  33   2.807 -12.406   0.271
  233    HE2  TYR  33           HE2      TYR  33   2.585  -9.249  -2.633
  234    HH   TYR  33           HH       TYR  33   2.532 -11.940  -2.900
  235    H    GLU  34           H        GLU  34  -1.969  -7.739  -0.457
  236    HA   GLU  34           HA       GLU  34  -3.138 -10.214   0.776
  237   1HB   GLU  34          2HB       GLU  34  -4.330  -7.870   0.744
  238   2HB   GLU  34          1HB       GLU  34  -4.649  -8.259  -0.946
  239   1HG   GLU  34          2HG       GLU  34  -6.542  -9.097   0.203
  240   2HG   GLU  34          1HG       GLU  34  -5.537 -10.521  -0.063
  241    H    ILE  35           H        ILE  35  -2.105 -11.760  -0.538
  242    HA   ILE  35           HA       ILE  35  -2.759 -11.616  -3.461
  243    HB   ILE  35           HB       ILE  35  -0.342 -11.130  -2.715
  244   1HG1  ILE  35          2HG1      ILE  35   0.311 -13.213  -4.448
  245   2HG1  ILE  35          1HG1      ILE  35  -1.369 -12.850  -4.841
  246   1HG2  ILE  35          1HG2      ILE  35  -0.272 -14.136  -2.354
  247   2HG2  ILE  35          2HG2      ILE  35  -0.349 -13.002  -1.005
  248   3HG2  ILE  35          3HG2      ILE  35   1.042 -12.991  -2.088
  249   1HD1  ILE  35          1HD1      ILE  35  -0.889 -10.695  -5.532
  250   2HD1  ILE  35          2HD1      ILE  35   0.627 -11.487  -5.960
  251   3HD1  ILE  35          3HD1      ILE  35   0.511 -10.553  -4.469
  252   1HN   NH2  36          1HN       NH2  36  -2.610 -15.260  -3.616
  253   2HN   NH2  36          2HN       NH2  36  -1.640 -13.877  -4.167
  Start of MODEL    7
    1   1H    GLU   1          1H        GLU   1  12.451   6.142   0.228
    2   2H    GLU   1          2H        GLU   1  13.679   5.832   1.360
    3   3H    GLU   1          3H        GLU   1  12.090   6.129   1.885
    4    HA   GLU   1           HA       GLU   1  12.980   3.767   0.300
    5   1HB   GLU   1          2HB       GLU   1  13.352   4.392   2.969
    6   2HB   GLU   1          1HB       GLU   1  11.849   3.469   3.002
    7   1HG   GLU   1          2HG       GLU   1  13.449   1.773   3.159
    8   2HG   GLU   1          1HG       GLU   1  13.147   1.820   1.422
    9    H    CYS   2           H        CYS   2  11.193   2.070   0.383
   10    HA   CYS   2           HA       CYS   2   8.713   3.138  -0.627
   11   1HB   CYS   2          2HB       CYS   2   8.062   0.730  -0.596
   12   2HB   CYS   2          1HB       CYS   2   9.663   0.975  -1.290
   13    H    LEU   3           H        LEU   3   6.539   2.459   0.360
   14    HA   LEU   3           HA       LEU   3   6.507   3.213   3.238
   15   1HB   LEU   3          2HB       LEU   3   4.365   2.914   1.102
   16   2HB   LEU   3          1HB       LEU   3   4.057   3.477   2.744
   17    HG   LEU   3           HG       LEU   3   6.123   4.819   0.998
   18   1HD1  LEU   3          1HD1      LEU   3   3.321   5.874   1.266
   19   2HD1  LEU   3          2HD1      LEU   3   3.684   4.678   0.021
   20   3HD1  LEU   3          3HD1      LEU   3   4.530   6.225   0.030
   21   1HD2  LEU   3          1HD2      LEU   3   6.102   5.277   3.440
   22   2HD2  LEU   3          2HD2      LEU   3   4.414   5.776   3.321
   23   3HD2  LEU   3          3HD2      LEU   3   5.670   6.710   2.507
   24    H    GLY   4           H        GLY   4   6.497   1.543   4.700
   25   1HA   GLY   4          2HA       GLY   4   5.781  -1.175   3.885
   26   2HA   GLY   4          1HA       GLY   4   6.310  -0.682   5.492
   27    H    PHE   5           H        PHE   5   4.488  -2.178   6.137
   28    HA   PHE   5           HA       PHE   5   1.732  -1.485   5.615
   29   1HB   PHE   5          2HB       PHE   5   2.590  -3.711   6.333
   30   2HB   PHE   5          1HB       PHE   5   3.011  -3.025   7.902
   31    HD1  PHE   5           HD1      PHE   5   1.507  -3.582   9.584
   32    HD2  PHE   5           HD2      PHE   5   0.023  -2.862   5.617
   33    HE1  PHE   5           HE1      PHE   5  -0.808  -3.968  10.380
   34    HE2  PHE   5           HE2      PHE   5  -2.292  -3.248   6.414
   35    HZ   PHE   5           HZ       PHE   5  -2.708  -3.800   8.794
   36    H    GLY   6           H        GLY   6   0.424  -0.020   6.668
   37   1HA   GLY   6          2HA       GLY   6  -0.226   1.127   8.774
   38   2HA   GLY   6          1HA       GLY   6   1.493   1.300   9.134
   39    H    LYS   7           H        LYS   7   2.393   2.123   6.566
   40    HA   LYS   7           HA       LYS   7   1.740   4.955   6.636
   41   1HB   LYS   7          2HB       LYS   7   3.373   3.112   4.882
   42   2HB   LYS   7          1HB       LYS   7   3.202   4.823   4.490
   43   1HG   LYS   7          2HG       LYS   7   3.920   4.200   7.306
   44   2HG   LYS   7          1HG       LYS   7   5.161   3.869   6.097
   45   1HD   LYS   7          2HD       LYS   7   5.541   6.069   5.721
   46   2HD   LYS   7          1HD       LYS   7   3.818   6.448   5.691
   47   1HE   LYS   7          2HE       LYS   7   4.974   5.743   8.353
   48   2HE   LYS   7          1HE       LYS   7   5.420   7.320   7.673
   49   1HZ   LYS   7          1HZ       LYS   7   3.070   7.751   7.242
   50   2HZ   LYS   7          2HZ       LYS   7   3.344   7.485   8.897
   51   3HZ   LYS   7          3HZ       LYS   7   2.653   6.262   7.943
   52    H    GLY   8           H        GLY   8   1.148   6.043   4.411
   53   1HA   GLY   8          2HA       GLY   8  -0.921   4.421   2.995
   54   2HA   GLY   8          1HA       GLY   8  -1.303   6.043   3.567
   55    H    CYS   9           H        CYS   9  -1.318   5.070   0.802
   56    HA   CYS   9           HA       CYS   9   0.422   7.168  -0.371
   57   1HB   CYS   9          2HB       CYS   9   1.806   5.712  -1.494
   58   2HB   CYS   9          1HB       CYS   9   1.391   4.651  -0.151
   59    H    ASN  10           H        ASN  10  -0.005   6.990  -2.966
   60    HA   ASN  10           HA       ASN  10  -2.910   7.323  -3.287
   61   1HB   ASN  10          2HB       ASN  10  -0.552   7.545  -5.191
   62   2HB   ASN  10          1HB       ASN  10  -2.197   8.056  -5.567
   63   1HD2  ASN  10          1HD2      ASN  10   0.640   9.430  -4.798
   64   2HD2  ASN  10          2HD2      ASN  10   0.121  10.721  -3.826
   65    HA   PRO  11           HA       PRO  11  -3.669   3.281  -4.906
   66   1HB   PRO  11          2HB       PRO  11  -5.918   3.797  -6.381
   67   2HB   PRO  11          1HB       PRO  11  -5.919   3.714  -4.609
   68   1HG   PRO  11          2HG       PRO  11  -5.903   6.095  -6.392
   69   2HG   PRO  11          1HG       PRO  11  -6.750   5.838  -4.858
   70   1HD   PRO  11          2HD       PRO  11  -4.452   7.296  -5.093
   71   2HD   PRO  11          1HD       PRO  11  -4.937   6.452  -3.606
   72    H    SER  12           H        SER  12  -3.972   5.953  -7.293
   73    HA   SER  12           HA       SER  12  -3.454   4.315  -9.613
   74   1HB   SER  12          2HB       SER  12  -3.251   6.502 -10.718
   75   2HB   SER  12          1HB       SER  12  -4.595   6.533  -9.580
   76    HG   SER  12           HG       SER  12  -3.452   7.791  -8.247
   77    H    ASN  13           H        ASN  13  -1.359   6.452  -7.646
   78    HA   ASN  13           HA       ASN  13   1.036   5.223  -8.972
   79   1HB   ASN  13          2HB       ASN  13   0.293   7.826  -8.884
   80   2HB   ASN  13          1HB       ASN  13   1.201   7.739  -7.374
   81   1HD2  ASN  13          1HD2      ASN  13   1.494   7.201 -10.905
   82   2HD2  ASN  13          2HD2      ASN  13   3.187   7.329 -10.942
   83    H    ASP  14           H        ASP  14   0.374   3.462  -7.240
   84    HA   ASP  14           HA       ASP  14   1.000   4.099  -4.452
   85   1HB   ASP  14          2HB       ASP  14   0.482   1.734  -4.109
   86   2HB   ASP  14          1HB       ASP  14  -0.708   2.438  -5.202
   87    H    GLN  15           H        GLN  15   2.803   3.353  -3.267
   88    HA   GLN  15           HA       GLN  15   5.065   2.118  -4.769
   89   1HB   GLN  15          2HB       GLN  15   6.546   3.910  -3.755
   90   2HB   GLN  15          1HB       GLN  15   5.408   4.510  -4.959
   91   1HG   GLN  15          2HG       GLN  15   3.913   5.327  -3.242
   92   2HG   GLN  15          1HG       GLN  15   4.864   4.551  -1.975
   93   1HE2  GLN  15          1HE2      GLN  15   6.981   5.504  -1.445
   94   2HE2  GLN  15          2HE2      GLN  15   7.365   7.087  -1.923
   95    H    CYS  16           H        CYS  16   3.359   0.898  -2.831
   96    HA   CYS  16           HA       CYS  16   4.390   1.013  -0.146
   97   1HB   CYS  16          2HB       CYS  16   2.224  -0.039  -1.363
   98   2HB   CYS  16          1HB       CYS  16   3.206  -1.499  -1.235
   99    H    CYS  17           H        CYS  17   5.525  -0.898   0.910
  100    HA   CYS  17           HA       CYS  17   7.983  -1.535  -0.518
  101   1HB   CYS  17          2HB       CYS  17   6.765  -2.383   2.127
  102   2HB   CYS  17          1HB       CYS  17   8.390  -2.844   1.620
  103    H    LYS  18           H        LYS  18   8.548  -3.479  -1.503
  104    HA   LYS  18           HA       LYS  18   6.366  -5.391  -2.074
  105   1HB   LYS  18          2HB       LYS  18   8.203  -4.307  -3.632
  106   2HB   LYS  18          1HB       LYS  18   9.201  -5.634  -3.037
  107   1HG   LYS  18          2HG       LYS  18   8.233  -6.661  -4.871
  108   2HG   LYS  18          1HG       LYS  18   7.043  -7.068  -3.635
  109   1HD   LYS  18          2HD       LYS  18   5.446  -5.816  -4.625
  110   2HD   LYS  18          1HD       LYS  18   6.538  -4.444  -4.816
  111   1HE   LYS  18          2HE       LYS  18   7.584  -6.072  -6.701
  112   2HE   LYS  18          1HE       LYS  18   5.900  -6.629  -6.740
  113   1HZ   LYS  18          1HZ       LYS  18   6.790  -3.794  -6.893
  114   2HZ   LYS  18          2HZ       LYS  18   5.175  -4.326  -6.905
  115   3HZ   LYS  18          3HZ       LYS  18   6.211  -4.715  -8.194
  116    H    SER  19           H        SER  19   8.544  -5.137   0.443
  117    HA   SER  19           HA       SER  19   9.682  -7.764   0.638
  118   1HB   SER  19          2HB       SER  19   8.923  -5.618   2.634
  119   2HB   SER  19          1HB       SER  19   9.776  -7.087   3.105
  120    HG   SER  19           HG       SER  19  10.641  -4.882   1.667
  121    H    SER  20           H        SER  20   6.638  -6.392   1.942
  122    HA   SER  20           HA       SER  20   5.769  -9.163   2.683
  123   1HB   SER  20          2HB       SER  20   5.827  -6.720   4.051
  124   2HB   SER  20          1HB       SER  20   4.133  -6.942   3.626
  125    HG   SER  20           HG       SER  20   5.804  -8.465   5.265
  126    H    ASN  21           H        ASN  21   5.558  -7.537  -0.033
  127    HA   ASN  21           HA       ASN  21   3.964  -7.295  -1.756
  128   1HB   ASN  21          2HB       ASN  21   3.948  -9.806  -0.798
  129   2HB   ASN  21          1HB       ASN  21   2.287  -9.368  -0.403
  130   1HD2  ASN  21          1HD2      ASN  21   4.298 -10.501  -2.926
  131   2HD2  ASN  21          2HD2      ASN  21   3.226 -10.239  -4.215
  132    H    LEU  22           H        LEU  22   3.585  -5.285   0.036
  133    HA   LEU  22           HA       LEU  22   0.796  -5.288   1.029
  134   1HB   LEU  22          2HB       LEU  22   3.185  -3.441   1.158
  135   2HB   LEU  22          1HB       LEU  22   1.601  -2.926   1.736
  136    HG   LEU  22           HG       LEU  22   2.564  -5.585   2.670
  137   1HD1  LEU  22          1HD1      LEU  22   3.683  -2.954   3.685
  138   2HD1  LEU  22          2HD1      LEU  22   4.597  -4.230   2.881
  139   3HD1  LEU  22          3HD1      LEU  22   3.897  -4.516   4.475
  140   1HD2  LEU  22          1HD2      LEU  22   0.382  -4.647   3.349
  141   2HD2  LEU  22          2HD2      LEU  22   1.195  -3.227   4.006
  142   3HD2  LEU  22          3HD2      LEU  22   1.455  -4.809   4.740
  143    H    VAL  23           H        VAL  23  -0.872  -4.096   0.097
  144    HA   VAL  23           HA       VAL  23  -0.245  -2.649  -2.461
  145    HB   VAL  23           HB       VAL  23  -2.557  -3.350  -3.123
  146   1HG1  VAL  23          1HG1      VAL  23  -1.839  -5.399  -3.877
  147   2HG1  VAL  23          2HG1      VAL  23  -1.221  -5.885  -2.298
  148   3HG1  VAL  23          3HG1      VAL  23  -0.293  -4.773  -3.304
  149   1HG2  VAL  23          1HG2      VAL  23  -3.874  -4.779  -1.780
  150   2HG2  VAL  23          2HG2      VAL  23  -3.250  -3.596  -0.631
  151   3HG2  VAL  23          3HG2      VAL  23  -2.517  -5.196  -0.735
  152    H    CYS  24           H        CYS  24  -1.395  -0.674  -2.844
  153    HA   CYS  24           HA       CYS  24  -2.281   0.715  -0.383
  154   1HB   CYS  24          2HB       CYS  24  -1.052   1.350  -2.913
  155   2HB   CYS  24          1HB       CYS  24  -2.486   2.352  -2.692
  156    H    SER  25           H        SER  25  -4.399   1.279   0.029
  157    HA   SER  25           HA       SER  25  -6.485   0.280  -1.853
  158   1HB   SER  25          2HB       SER  25  -6.378  -0.354   0.594
  159   2HB   SER  25          1HB       SER  25  -6.702   1.332   0.986
  160    HG   SER  25           HG       SER  25  -8.722   0.935   0.616
  161    H    ARG  26           H        ARG  26  -8.070   1.687  -2.704
  162    HA   ARG  26           HA       ARG  26  -7.362   4.544  -2.802
  163   1HB   ARG  26          2HB       ARG  26  -9.047   4.608  -4.539
  164   2HB   ARG  26          1HB       ARG  26  -8.122   3.123  -4.748
  165   1HG   ARG  26          2HG       ARG  26 -10.082   2.246  -3.070
  166   2HG   ARG  26          1HG       ARG  26 -10.957   3.488  -3.967
  167   1HD   ARG  26          2HD       ARG  26 -10.204   2.437  -6.105
  168   2HD   ARG  26          1HD       ARG  26  -9.437   1.142  -5.164
  169    HE   ARG  26           HE       ARG  26 -12.375   1.715  -5.152
  170   1HH1  ARG  26          1HH1      ARG  26 -11.136   0.280  -2.756
  171   2HH1  ARG  26          2HH1      ARG  26 -11.408  -1.377  -3.182
  172   1HH2  ARG  26          1HH2      ARG  26 -12.089  -0.682  -6.518
  173   2HH2  ARG  26          2HH2      ARG  26 -11.949  -1.923  -5.317
  174    H    ALA  27           H        ALA  27  -9.522   2.544  -0.949
  175    HA   ALA  27           HA       ALA  27 -11.569   4.502  -0.382
  176   1HB   ALA  27          1HB       ALA  27 -10.608   2.092   1.189
  177   2HB   ALA  27          2HB       ALA  27 -11.775   2.037  -0.132
  178   3HB   ALA  27          3HB       ALA  27 -12.177   2.880   1.364
  179    H    HIS  28           H        HIS  28  -8.716   3.403   1.479
  180    HA   HIS  28           HA       HIS  28  -8.947   5.889   3.148
  181   1HB   HIS  28          2HB       HIS  28  -8.987   3.228   3.873
  182   2HB   HIS  28          1HB       HIS  28  -7.291   3.647   4.115
  183    HD1  HIS  28           HD1      HIS  28  -6.754   4.812   6.254
  184    HD2  HIS  28           HD2      HIS  28 -10.790   5.186   5.276
  185    HE1  HIS  28           HE1      HIS  28  -7.854   6.008   8.196
  186    H    ARG  29           H        ARG  29  -7.231   4.841   0.550
  187    HA   ARG  29           HA       ARG  29  -5.068   5.254  -0.302
  188   1HB   ARG  29          2HB       ARG  29  -5.773   7.539   1.528
  189   2HB   ARG  29          1HB       ARG  29  -4.198   7.518   0.734
  190   1HG   ARG  29          2HG       ARG  29  -5.848   6.884  -1.355
  191   2HG   ARG  29          1HG       ARG  29  -6.883   7.961  -0.418
  192   1HD   ARG  29          2HD       ARG  29  -5.142   9.700  -0.437
  193   2HD   ARG  29          1HD       ARG  29  -4.055   8.616  -1.328
  194    HE   ARG  29           HE       ARG  29  -6.401   8.633  -2.833
  195   1HH1  ARG  29          1HH1      ARG  29  -6.574  11.477  -1.718
  196   2HH1  ARG  29          2HH1      ARG  29  -5.776  12.372  -2.968
  197   1HH2  ARG  29          1HH2      ARG  29  -4.338   9.565  -4.427
  198   2HH2  ARG  29          2HH2      ARG  29  -4.507  11.287  -4.505
  199    H    TRP  30           H        TRP  30  -5.106   3.340   1.818
  200    HA   TRP  30           HA       TRP  30  -2.507   3.930   3.185
  201   1HB   TRP  30          2HB       TRP  30  -3.377   3.037   5.180
  202   2HB   TRP  30          1HB       TRP  30  -4.747   3.920   4.517
  203    HD1  TRP  30           HD1      TRP  30  -6.186   2.130   2.656
  204    HE1  TRP  30           HE1      TRP  30  -7.113  -0.186   3.299
  205    HE3  TRP  30           HE3      TRP  30  -3.285   1.128   6.727
  206    HZ2  TRP  30           HZ2      TRP  30  -6.678  -2.201   5.283
  207    HZ3  TRP  30           HZ3      TRP  30  -3.558  -0.996   7.976
  208    HH2  TRP  30           HH2      TRP  30  -5.250  -2.660   7.259
  209    H    CYS  31           H        CYS  31  -1.247   1.963   3.718
  210    HA   CYS  31           HA       CYS  31  -1.342  -0.003   1.508
  211   1HB   CYS  31          2HB       CYS  31   0.583   1.035   3.509
  212   2HB   CYS  31          1HB       CYS  31   0.784  -0.666   3.094
  213    H    LYS  32           H        LYS  32  -1.905  -2.156   1.784
  214    HA   LYS  32           HA       LYS  32  -2.254  -3.247   4.531
  215   1HB   LYS  32          2HB       LYS  32  -4.579  -3.859   4.033
  216   2HB   LYS  32          1HB       LYS  32  -4.366  -2.121   3.837
  217   1HG   LYS  32          2HG       LYS  32  -4.151  -2.396   1.404
  218   2HG   LYS  32          1HG       LYS  32  -4.301  -4.146   1.576
  219   1HD   LYS  32          2HD       LYS  32  -6.558  -3.908   2.470
  220   2HD   LYS  32          1HD       LYS  32  -6.416  -2.150   2.436
  221   1HE   LYS  32          2HE       LYS  32  -6.077  -2.289  -0.062
  222   2HE   LYS  32          1HE       LYS  32  -6.448  -4.021   0.042
  223   1HZ   LYS  32          1HZ       LYS  32  -8.551  -3.520   1.057
  224   2HZ   LYS  32          2HZ       LYS  32  -8.435  -2.642  -0.393
  225   3HZ   LYS  32          3HZ       LYS  32  -8.199  -1.861   1.097
  226    H    TYR  33           H        TYR  33  -2.363  -5.594   4.546
  227    HA   TYR  33           HA       TYR  33  -1.305  -6.841   2.033
  228   1HB   TYR  33          2HB       TYR  33   0.169  -6.872   4.006
  229   2HB   TYR  33          1HB       TYR  33  -1.104  -7.631   4.961
  230    HD1  TYR  33           HD1      TYR  33  -0.670  -9.881   5.360
  231    HD2  TYR  33           HD2      TYR  33   0.314  -8.215   1.526
  232    HE1  TYR  33           HE1      TYR  33   0.073 -12.114   4.580
  233    HE2  TYR  33           HE2      TYR  33   1.058 -10.447   0.746
  234    HH   TYR  33           HH       TYR  33   1.963 -12.757   2.379
  235    H    GLU  34           H        GLU  34  -3.063  -7.712   0.963
  236    HA   GLU  34           HA       GLU  34  -5.362  -8.835   2.402
  237   1HB   GLU  34          2HB       GLU  34  -6.262  -9.086   0.177
  238   2HB   GLU  34          1HB       GLU  34  -5.380  -7.560   0.202
  239   1HG   GLU  34          2HG       GLU  34  -3.359  -8.996  -0.631
  240   2HG   GLU  34          1HG       GLU  34  -4.596 -10.171  -1.079
  241    H    ILE  35           H        ILE  35  -6.094 -11.120   1.889
  242    HA   ILE  35           HA       ILE  35  -3.932 -13.016   2.389
  243    HB   ILE  35           HB       ILE  35  -5.821 -14.635   2.418
  244   1HG1  ILE  35          2HG1      ILE  35  -8.072 -12.963   2.268
  245   2HG1  ILE  35          1HG1      ILE  35  -7.090 -12.524   0.870
  246   1HG2  ILE  35          1HG2      ILE  35  -5.250 -13.034   4.345
  247   2HG2  ILE  35          2HG2      ILE  35  -6.841 -13.794   4.381
  248   3HG2  ILE  35          3HG2      ILE  35  -6.675 -12.121   3.848
  249   1HD1  ILE  35          1HD1      ILE  35  -8.612 -14.366   0.296
  250   2HD1  ILE  35          2HD1      ILE  35  -7.959 -15.333   1.618
  251   3HD1  ILE  35          3HD1      ILE  35  -6.938 -14.917   0.241
  252   1HN   NH2  36          1HN       NH2  36  -4.332 -15.189  -0.509
  253   2HN   NH2  36          2HN       NH2  36  -4.764 -15.192   1.215
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1 -10.620   8.971  -0.710
    2   2H    GLU   1          2H        GLU   1 -11.346   9.564  -2.127
    3   3H    GLU   1          3H        GLU   1  -9.655   9.579  -1.965
    4    HA   GLU   1           HA       GLU   1 -11.366   7.146  -2.152
    5   1HB   GLU   1          2HB       GLU   1 -10.400   8.979  -4.068
    6   2HB   GLU   1          1HB       GLU   1  -9.325   7.585  -4.174
    7   1HG   GLU   1          2HG       GLU   1 -12.298   7.159  -4.042
    8   2HG   GLU   1          1HG       GLU   1 -11.546   7.604  -5.574
    9    H    CYS   2           H        CYS   2 -10.295   5.239  -1.629
   10    HA   CYS   2           HA       CYS   2  -7.695   5.443  -0.269
   11   1HB   CYS   2          2HB       CYS   2  -8.175   3.163   0.369
   12   2HB   CYS   2          1HB       CYS   2  -9.693   4.053   0.451
   13    H    LEU   3           H        LEU   3  -5.989   3.717  -0.837
   14    HA   LEU   3           HA       LEU   3  -5.521   3.784  -3.781
   15   1HB   LEU   3          2HB       LEU   3  -3.725   3.080  -1.432
   16   2HB   LEU   3          1HB       LEU   3  -3.196   3.285  -3.100
   17    HG   LEU   3           HG       LEU   3  -4.612   5.471  -1.554
   18   1HD1  LEU   3          1HD1      LEU   3  -2.605   6.274  -0.745
   19   2HD1  LEU   3          2HD1      LEU   3  -1.666   5.548  -2.050
   20   3HD1  LEU   3          3HD1      LEU   3  -2.247   4.548  -0.719
   21   1HD2  LEU   3          1HD2      LEU   3  -4.573   6.494  -3.562
   22   2HD2  LEU   3          2HD2      LEU   3  -3.749   5.108  -4.276
   23   3HD2  LEU   3          3HD2      LEU   3  -2.812   6.412  -3.547
   24    H    GLY   4           H        GLY   4  -5.385   1.888  -4.994
   25   1HA   GLY   4          2HA       GLY   4  -6.041  -0.650  -3.563
   26   2HA   GLY   4          1HA       GLY   4  -6.370  -0.341  -5.268
   27    H    PHE   5           H        PHE   5  -5.191  -2.415  -5.612
   28    HA   PHE   5           HA       PHE   5  -2.340  -2.585  -5.024
   29   1HB   PHE   5          2HB       PHE   5  -3.867  -4.530  -5.240
   30   2HB   PHE   5          1HB       PHE   5  -4.134  -4.126  -6.935
   31    HD1  PHE   5           HD1      PHE   5  -2.666  -4.916  -8.600
   32    HD2  PHE   5           HD2      PHE   5  -1.438  -4.981  -4.483
   33    HE1  PHE   5           HE1      PHE   5  -0.633  -6.190  -9.226
   34    HE2  PHE   5           HE2      PHE   5   0.594  -6.255  -5.111
   35    HZ   PHE   5           HZ       PHE   5   0.997  -6.859  -7.481
   36    H    GLY   6           H        GLY   6  -0.697  -1.742  -6.250
   37   1HA   GLY   6          2HA       GLY   6   0.430  -1.169  -8.292
   38   2HA   GLY   6          1HA       GLY   6  -1.118  -1.228  -9.136
   39    H    LYS   7           H        LYS   7  -0.154   0.562  -6.193
   40    HA   LYS   7           HA       LYS   7  -0.529   3.137  -7.652
   41   1HB   LYS   7          2HB       LYS   7  -2.458   1.872  -5.993
   42   2HB   LYS   7          1HB       LYS   7  -1.811   3.223  -5.064
   43   1HG   LYS   7          2HG       LYS   7  -2.667   3.553  -7.941
   44   2HG   LYS   7          1HG       LYS   7  -3.813   3.718  -6.611
   45   1HD   LYS   7          2HD       LYS   7  -2.878   5.678  -5.863
   46   2HD   LYS   7          1HD       LYS   7  -1.251   5.213  -6.354
   47   1HE   LYS   7          2HE       LYS   7  -3.222   5.636  -8.554
   48   2HE   LYS   7          1HE       LYS   7  -2.654   7.082  -7.696
   49   1HZ   LYS   7          1HZ       LYS   7  -1.151   6.482  -9.511
   50   2HZ   LYS   7          2HZ       LYS   7  -0.909   4.950  -8.819
   51   3HZ   LYS   7          3HZ       LYS   7  -0.379   6.346  -8.007
   52    H    GLY   8           H        GLY   8   1.035   4.579  -7.007
   53   1HA   GLY   8          2HA       GLY   8   3.008   3.861  -5.035
   54   2HA   GLY   8          1HA       GLY   8   2.879   5.432  -5.825
   55    H    CYS   9           H        CYS   9   3.153   4.431  -2.883
   56    HA   CYS   9           HA       CYS   9   1.252   6.438  -1.768
   57   1HB   CYS   9          2HB       CYS   9   0.699   4.683   0.019
   58   2HB   CYS   9          1HB       CYS   9   0.026   4.390  -1.582
   59    H    ASN  10           H        ASN  10   1.756   6.385   0.830
   60    HA   ASN  10           HA       ASN  10   4.731   6.674   1.053
   61   1HB   ASN  10          2HB       ASN  10   2.322   8.087   2.099
   62   2HB   ASN  10          1HB       ASN  10   3.722   8.018   3.169
   63   1HD2  ASN  10          1HD2      ASN  10   5.267   9.631   2.823
   64   2HD2  ASN  10          2HD2      ASN  10   5.436  10.521   1.387
   65    HA   PRO  11           HA       PRO  11   4.623   3.256   3.878
   66   1HB   PRO  11          2HB       PRO  11   7.092   3.618   5.010
   67   2HB   PRO  11          1HB       PRO  11   6.858   2.942   3.385
   68   1HG   PRO  11          2HG       PRO  11   7.624   5.703   4.192
   69   2HG   PRO  11          1HG       PRO  11   8.205   4.718   2.839
   70   1HD   PRO  11          2HD       PRO  11   6.375   6.717   2.559
   71   2HD   PRO  11          1HD       PRO  11   6.451   5.300   1.488
   72    H    SER  12           H        SER  12   5.706   6.458   5.067
   73    HA   SER  12           HA       SER  12   5.171   5.918   7.865
   74   1HB   SER  12          2HB       SER  12   6.677   7.684   6.755
   75   2HB   SER  12          1HB       SER  12   5.201   8.598   6.455
   76    HG   SER  12           HG       SER  12   6.581   8.152   8.794
   77    H    ASN  13           H        ASN  13   3.351   7.591   5.282
   78    HA   ASN  13           HA       ASN  13   0.949   7.679   7.064
   79   1HB   ASN  13          2HB       ASN  13   2.109   9.706   5.829
   80   2HB   ASN  13          1HB       ASN  13   1.248   9.091   4.419
   81   1HD2  ASN  13          1HD2      ASN  13   0.914  11.055   7.209
   82   2HD2  ASN  13          2HD2      ASN  13  -0.777  11.198   7.189
   83    H    ASP  14           H        ASP  14   0.990   5.211   6.415
   84    HA   ASP  14           HA       ASP  14   0.328   4.356   3.764
   85   1HB   ASP  14          2HB       ASP  14   1.146   2.949   5.665
   86   2HB   ASP  14          1HB       ASP  14  -0.422   3.141   6.446
   87    H    GLN  15           H        GLN  15  -1.432   5.172   2.691
   88    HA   GLN  15           HA       GLN  15  -4.047   5.294   4.163
   89   1HB   GLN  15          2HB       GLN  15  -2.662   7.107   2.204
   90   2HB   GLN  15          1HB       GLN  15  -4.426   7.088   2.248
   91   1HG   GLN  15          2HG       GLN  15  -4.152   7.350   4.817
   92   2HG   GLN  15          1HG       GLN  15  -2.502   7.844   4.442
   93   1HE2  GLN  15          1HE2      GLN  15  -5.927   8.714   3.933
   94   2HE2  GLN  15          2HE2      GLN  15  -5.620  10.320   3.479
   95    H    CYS  16           H        CYS  16  -3.148   2.918   2.886
   96    HA   CYS  16           HA       CYS  16  -4.379   2.796   0.204
   97   1HB   CYS  16          2HB       CYS  16  -2.260   1.583   1.363
   98   2HB   CYS  16          1HB       CYS  16  -3.498   0.370   1.690
   99    H    CYS  17           H        CYS  17  -5.964   0.942  -0.197
  100    HA   CYS  17           HA       CYS  17  -8.238   1.172   1.608
  101   1HB   CYS  17          2HB       CYS  17  -7.696   0.439  -1.066
  102   2HB   CYS  17          1HB       CYS  17  -8.390  -0.996  -0.315
  103    H    LYS  18           H        LYS  18  -8.381   0.027   3.483
  104    HA   LYS  18           HA       LYS  18  -6.700  -2.260   4.086
  105   1HB   LYS  18          2HB       LYS  18  -8.815  -0.609   5.369
  106   2HB   LYS  18          1HB       LYS  18  -8.597  -2.232   6.024
  107   1HG   LYS  18          2HG       LYS  18  -6.667  -1.650   7.031
  108   2HG   LYS  18          1HG       LYS  18  -6.030  -0.965   5.537
  109   1HD   LYS  18          2HD       LYS  18  -8.133   0.581   6.997
  110   2HD   LYS  18          1HD       LYS  18  -6.501   0.568   7.665
  111   1HE   LYS  18          2HE       LYS  18  -5.607   1.326   5.466
  112   2HE   LYS  18          1HE       LYS  18  -7.268   1.408   4.845
  113   1HZ   LYS  18          1HZ       LYS  18  -6.573   3.556   5.724
  114   2HZ   LYS  18          2HZ       LYS  18  -6.234   2.853   7.232
  115   3HZ   LYS  18          3HZ       LYS  18  -7.833   2.912   6.658
  116    H    SER  19           H        SER  19  -9.796  -1.936   2.529
  117    HA   SER  19           HA       SER  19 -11.026  -4.423   3.231
  118   1HB   SER  19          2HB       SER  19 -11.945  -2.368   1.993
  119   2HB   SER  19          1HB       SER  19 -11.165  -3.016   0.553
  120    HG   SER  19           HG       SER  19 -13.498  -3.696   1.622
  121    H    SER  20           H        SER  20  -8.634  -3.593   0.719
  122    HA   SER  20           HA       SER  20  -8.623  -6.355  -0.346
  123   1HB   SER  20          2HB       SER  20  -7.238  -3.748  -0.995
  124   2HB   SER  20          1HB       SER  20  -6.818  -5.250  -1.814
  125    HG   SER  20           HG       SER  20  -8.557  -5.029  -2.958
  126    H    ASN  21           H        ASN  21  -7.299  -5.035   2.380
  127    HA   ASN  21           HA       ASN  21  -5.447  -5.554   3.737
  128   1HB   ASN  21          2HB       ASN  21  -5.958  -8.002   2.047
  129   2HB   ASN  21          1HB       ASN  21  -4.653  -7.995   3.232
  130   1HD2  ASN  21          1HD2      ASN  21  -5.512  -9.257   4.929
  131   2HD2  ASN  21          2HD2      ASN  21  -6.993  -8.935   5.695
  132    H    LEU  22           H        LEU  22  -4.633  -3.805   1.833
  133    HA   LEU  22           HA       LEU  22  -2.157  -4.975   0.609
  134   1HB   LEU  22          2HB       LEU  22  -3.852  -2.533  -0.008
  135   2HB   LEU  22          1HB       LEU  22  -2.327  -2.887  -0.819
  136    HG   LEU  22           HG       LEU  22  -4.659  -4.820  -0.737
  137   1HD1  LEU  22          1HD1      LEU  22  -3.831  -2.843  -2.883
  138   2HD1  LEU  22          2HD1      LEU  22  -5.333  -2.815  -1.961
  139   3HD1  LEU  22          3HD1      LEU  22  -5.026  -4.122  -3.104
  140   1HD2  LEU  22          1HD2      LEU  22  -2.023  -4.699  -2.217
  141   2HD2  LEU  22          2HD2      LEU  22  -3.352  -5.729  -2.749
  142   3HD2  LEU  22          3HD2      LEU  22  -2.619  -5.982  -1.165
  143    H    VAL  23           H        VAL  23  -0.155  -3.891   0.960
  144    HA   VAL  23           HA       VAL  23  -0.171  -1.766   3.083
  145    HB   VAL  23           HB       VAL  23   1.910  -2.887   3.928
  146   1HG1  VAL  23          1HG1      VAL  23  -0.437  -3.383   4.781
  147   2HG1  VAL  23          2HG1      VAL  23   0.763  -4.638   5.087
  148   3HG1  VAL  23          3HG1      VAL  23  -0.402  -4.833   3.778
  149   1HG2  VAL  23          1HG2      VAL  23   2.476  -4.001   1.745
  150   2HG2  VAL  23          2HG2      VAL  23   1.130  -5.108   2.011
  151   3HG2  VAL  23          3HG2      VAL  23   2.500  -5.104   3.120
  152    H    CYS  24           H        CYS  24   1.451  -0.153   2.869
  153    HA   CYS  24           HA       CYS  24   2.462   0.265   0.138
  154   1HB   CYS  24          2HB       CYS  24   1.446   1.959   1.816
  155   2HB   CYS  24          1HB       CYS  24   3.024   1.925   2.601
  156    H    SER  25           H        SER  25   4.442  -0.479  -0.504
  157    HA   SER  25           HA       SER  25   6.400  -1.437   1.495
  158   1HB   SER  25          2HB       SER  25   7.510  -2.327  -0.523
  159   2HB   SER  25          1HB       SER  25   5.797  -2.732  -0.533
  160    HG   SER  25           HG       SER  25   7.252  -1.003  -2.147
  161    H    ARG  26           H        ARG  26   8.789  -0.847   0.976
  162    HA   ARG  26           HA       ARG  26   8.970   2.121   0.649
  163   1HB   ARG  26          2HB       ARG  26   9.723   0.797   2.735
  164   2HB   ARG  26          1HB       ARG  26  11.065   0.232   1.738
  165   1HG   ARG  26          2HG       ARG  26  11.786   2.524   1.331
  166   2HG   ARG  26          1HG       ARG  26  10.386   3.152   2.201
  167   1HD   ARG  26          2HD       ARG  26  11.222   2.489   4.291
  168   2HD   ARG  26          1HD       ARG  26  12.284   1.256   3.582
  169    HE   ARG  26           HE       ARG  26  13.733   3.061   2.757
  170   1HH1  ARG  26          2HH1      ARG  26  11.612   5.230   2.724
  171   2HH1  ARG  26          1HH1      ARG  26  12.096   6.206   4.070
  172   1HH2  ARG  26          1HH2      ARG  26  14.177   3.777   5.425
  173   2HH2  ARG  26          2HH2      ARG  26  13.552   5.383   5.602
  174    H    ALA  27           H        ALA  27  10.347  -0.944  -0.539
  175    HA   ALA  27           HA       ALA  27  12.495   0.009  -2.098
  176   1HB   ALA  27          1HB       ALA  27  12.399  -2.289  -2.023
  177   2HB   ALA  27          2HB       ALA  27  11.572  -2.067  -3.565
  178   3HB   ALA  27          3HB       ALA  27  10.636  -2.315  -2.090
  179    H    HIS  28           H        HIS  28   9.158  -0.604  -3.235
  180    HA   HIS  28           HA       HIS  28   9.684   1.126  -5.611
  181   1HB   HIS  28          2HB       HIS  28   7.805  -1.095  -4.875
  182   2HB   HIS  28          1HB       HIS  28   7.334   0.025  -6.153
  183    HD1  HIS  28           HD1      HIS  28   7.611  -1.981  -7.870
  184    HD2  HIS  28           HD2      HIS  28  11.136  -0.793  -5.988
  185    HE1  HIS  28           HE1      HIS  28   9.512  -3.010  -9.190
  186    H    ARG  29           H        ARG  29   8.239   1.316  -2.527
  187    HA   ARG  29           HA       ARG  29   6.832   2.907  -1.521
  188   1HB   ARG  29          2HB       ARG  29   8.484   4.140  -3.451
  189   2HB   ARG  29          1HB       ARG  29   6.884   4.848  -3.673
  190   1HG   ARG  29          2HG       ARG  29   6.882   5.035  -1.066
  191   2HG   ARG  29          1HG       ARG  29   8.630   4.863  -1.225
  192   1HD   ARG  29          2HD       ARG  29   8.016   6.744  -3.178
  193   2HD   ARG  29          1HD       ARG  29   6.941   7.180  -1.836
  194    HE   ARG  29           HE       ARG  29   9.800   7.485  -1.814
  195   1HH1  ARG  29          2HH1      ARG  29   7.484   8.552   0.049
  196   2HH1  ARG  29          1HH1      ARG  29   8.076   7.998   1.580
  197   1HH2  ARG  29          1HH2      ARG  29  10.417   5.833   0.188
  198   2HH2  ARG  29          2HH2      ARG  29   9.743   6.452   1.659
  199    H    TRP  30           H        TRP  30   5.361   0.939  -2.670
  200    HA   TRP  30           HA       TRP  30   2.973   2.399  -3.655
  201   1HB   TRP  30          2HB       TRP  30   2.807   1.116  -5.665
  202   2HB   TRP  30          1HB       TRP  30   4.490   1.628  -5.583
  203    HD1  TRP  30           HD1      TRP  30   5.996  -0.330  -4.012
  204    HE1  TRP  30           HE1      TRP  30   6.084  -2.856  -4.512
  205    HE3  TRP  30           HE3      TRP  30   1.725  -0.823  -6.754
  206    HZ2  TRP  30           HZ2      TRP  30   4.540  -4.827  -5.896
  207    HZ3  TRP  30           HZ3      TRP  30   1.055  -3.034  -7.651
  208    HH2  TRP  30           HH2      TRP  30   2.456  -5.034  -7.226
  209    H    CYS  31           H        CYS  31   1.063   0.805  -3.765
  210    HA   CYS  31           HA       CYS  31   1.080  -0.823  -1.304
  211   1HB   CYS  31          2HB       CYS  31  -0.712   0.846  -2.488
  212   2HB   CYS  31          1HB       CYS  31  -1.298  -0.712  -3.073
  213    H    LYS  32           H        LYS  32   1.292  -3.015  -1.297
  214    HA   LYS  32           HA       LYS  32   0.669  -4.552  -3.786
  215   1HB   LYS  32          2HB       LYS  32   2.820  -5.751  -3.488
  216   2HB   LYS  32          1HB       LYS  32   3.079  -4.024  -3.716
  217   1HG   LYS  32          2HG       LYS  32   3.953  -3.764  -1.639
  218   2HG   LYS  32          1HG       LYS  32   2.715  -4.779  -0.898
  219   1HD   LYS  32          2HD       LYS  32   4.517  -6.170  -0.583
  220   2HD   LYS  32          1HD       LYS  32   4.074  -6.690  -2.209
  221   1HE   LYS  32          2HE       LYS  32   5.680  -4.527  -2.761
  222   2HE   LYS  32          1HE       LYS  32   6.457  -5.192  -1.311
  223   1HZ   LYS  32          1HZ       LYS  32   7.271  -6.332  -3.267
  224   2HZ   LYS  32          2HZ       LYS  32   5.687  -6.718  -3.746
  225   3HZ   LYS  32          3HZ       LYS  32   6.343  -7.402  -2.334
  226    H    TYR  33           H        TYR  33   0.675  -6.993  -3.248
  227    HA   TYR  33           HA       TYR  33  -0.508  -7.405  -0.521
  228   1HB   TYR  33          2HB       TYR  33  -2.023  -7.646  -2.485
  229   2HB   TYR  33          1HB       TYR  33  -0.957  -8.893  -3.134
  230    HD1  TYR  33           HD1      TYR  33  -2.632  -8.065   0.131
  231    HD2  TYR  33           HD2      TYR  33  -1.567 -11.101  -2.715
  232    HE1  TYR  33           HE1      TYR  33  -3.765  -9.771   1.528
  233    HE2  TYR  33           HE2      TYR  33  -2.702 -12.807  -1.319
  234    HH   TYR  33           HH       TYR  33  -3.271 -12.772   1.522
  235    H    GLU  34           H        GLU  34   0.315  -9.080   0.736
  236    HA   GLU  34           HA       GLU  34   2.891 -10.253  -0.072
  237   1HB   GLU  34          2HB       GLU  34   1.886  -9.357   2.255
  238   2HB   GLU  34          1HB       GLU  34   1.420 -11.052   2.403
  239   1HG   GLU  34          2HG       GLU  34   3.839 -11.621   1.792
  240   2HG   GLU  34          1HG       GLU  34   4.200  -9.914   2.056
  241    H    ILE  35           H        ILE  35   3.168 -12.351  -0.794
  242    HA   ILE  35           HA       ILE  35   0.727 -14.061  -1.052
  243    HB   ILE  35           HB       ILE  35   3.438 -14.128  -2.425
  244   1HG1  ILE  35          2HG1      ILE  35   2.185 -12.139  -3.067
  245   2HG1  ILE  35          1HG1      ILE  35   2.130 -13.295  -4.396
  246   1HG2  ILE  35          1HG2      ILE  35   2.177 -15.624  -4.047
  247   2HG2  ILE  35          2HG2      ILE  35   0.893 -15.715  -2.842
  248   3HG2  ILE  35          3HG2      ILE  35   2.500 -16.337  -2.466
  249   1HD1  ILE  35          1HD1      ILE  35  -0.091 -14.100  -3.249
  250   2HD1  ILE  35          2HD1      ILE  35  -0.110 -12.640  -4.237
  251   3HD1  ILE  35          3HD1      ILE  35  -0.052 -12.514  -2.479
  252   1HN   NH2  36          1HN       NH2  36   2.063 -17.028   0.340
  253   2HN   NH2  36          2HN       NH2  36   1.181 -16.386  -1.063
  Start of MODEL    9
    1   1H    GLU   1          1H        GLU   1  11.754   5.544   1.883
    2   2H    GLU   1          2H        GLU   1  12.620   6.992   1.682
    3   3H    GLU   1          3H        GLU   1  12.017   6.163   0.326
    4    HA   GLU   1           HA       GLU   1  10.357   7.446   2.442
    5   1HB   GLU   1          2HB       GLU   1  11.659   8.323  -0.047
    6   2HB   GLU   1          1HB       GLU   1   9.931   8.675  -0.009
    7   1HG   GLU   1          2HG       GLU   1  11.512   9.278   2.452
    8   2HG   GLU   1          1HG       GLU   1  11.721  10.347   1.065
    9    H    CYS   2           H        CYS   2   9.251   5.273   2.484
   10    HA   CYS   2           HA       CYS   2   7.169   5.140   0.366
   11   1HB   CYS   2          2HB       CYS   2   7.670   2.844  -0.155
   12   2HB   CYS   2          1HB       CYS   2   9.200   3.715  -0.231
   13    H    LEU   3           H        LEU   3   5.447   3.498   1.018
   14    HA   LEU   3           HA       LEU   3   4.965   3.699   3.951
   15   1HB   LEU   3          2HB       LEU   3   3.215   2.958   1.579
   16   2HB   LEU   3          1HB       LEU   3   2.639   3.113   3.238
   17    HG   LEU   3           HG       LEU   3   4.186   5.429   2.236
   18   1HD1  LEU   3          1HD1      LEU   3   3.066   5.596   0.279
   19   2HD1  LEU   3          2HD1      LEU   3   1.653   5.995   1.255
   20   3HD1  LEU   3          3HD1      LEU   3   1.923   4.332   0.731
   21   1HD2  LEU   3          1HD2      LEU   3   3.141   6.232   4.069
   22   2HD2  LEU   3          2HD2      LEU   3   2.152   4.778   4.190
   23   3HD2  LEU   3          3HD2      LEU   3   1.615   6.128   3.192
   24    H    GLY   4           H        GLY   4   4.699   1.852   5.239
   25   1HA   GLY   4          2HA       GLY   4   5.505  -0.731   3.991
   26   2HA   GLY   4          1HA       GLY   4   5.613  -0.356   5.711
   27    H    PHE   5           H        PHE   5   4.437  -2.498   5.862
   28    HA   PHE   5           HA       PHE   5   1.632  -2.601   5.018
   29   1HB   PHE   5          2HB       PHE   5   3.084  -4.587   5.136
   30   2HB   PHE   5          1HB       PHE   5   3.323  -4.325   6.863
   31    HD1  PHE   5           HD1      PHE   5   0.751  -5.090   4.274
   32    HD2  PHE   5           HD2      PHE   5   1.721  -5.067   8.460
   33    HE1  PHE   5           HE1      PHE   5  -1.312  -6.376   4.762
   34    HE2  PHE   5           HE2      PHE   5  -0.342  -6.354   8.945
   35    HZ   PHE   5           HZ       PHE   5  -1.858  -7.009   7.096
   36    H    GLY   6           H        GLY   6  -0.154  -2.103   6.283
   37   1HA   GLY   6          2HA       GLY   6  -1.389  -1.592   8.246
   38   2HA   GLY   6          1HA       GLY   6   0.085  -1.797   9.192
   39    H    LYS   7           H        LYS   7  -0.659   0.353   6.424
   40    HA   LYS   7           HA       LYS   7  -0.244   2.719   8.198
   41   1HB   LYS   7          2HB       LYS   7   1.627   1.590   6.339
   42   2HB   LYS   7          1HB       LYS   7   1.102   3.154   5.714
   43   1HG   LYS   7          2HG       LYS   7   1.989   4.322   7.493
   44   2HG   LYS   7          1HG       LYS   7   1.760   2.985   8.621
   45   1HD   LYS   7          2HD       LYS   7   3.584   1.754   7.322
   46   2HD   LYS   7          1HD       LYS   7   3.920   3.293   6.527
   47   1HE   LYS   7          2HE       LYS   7   3.742   3.346   9.507
   48   2HE   LYS   7          1HE       LYS   7   5.178   2.583   8.796
   49   1HZ   LYS   7          1HZ       LYS   7   5.481   4.984   9.039
   50   2HZ   LYS   7          2HZ       LYS   7   4.115   5.265   8.069
   51   3HZ   LYS   7          3HZ       LYS   7   5.496   4.529   7.406
   52    H    GLY   8           H        GLY   8  -1.895   4.128   7.806
   53   1HA   GLY   8          2HA       GLY   8  -3.745   3.793   5.626
   54   2HA   GLY   8          1HA       GLY   8  -3.713   5.160   6.738
   55    H    CYS   9           H        CYS   9  -3.409   4.396   3.549
   56    HA   CYS   9           HA       CYS   9  -1.858   6.894   3.001
   57   1HB   CYS   9          2HB       CYS   9  -0.197   5.717   2.010
   58   2HB   CYS   9          1HB       CYS   9  -0.912   4.269   2.710
   59    H    ASN  10           H        ASN  10  -2.225   7.621   0.680
   60    HA   ASN  10           HA       ASN  10  -5.078   7.476   0.027
   61   1HB   ASN  10          2HB       ASN  10  -2.778   9.149  -0.475
   62   2HB   ASN  10          1HB       ASN  10  -3.575   8.779  -2.003
   63   1HD2  ASN  10          1HD2      ASN  10  -3.601  11.049   0.408
   64   2HD2  ASN  10          2HD2      ASN  10  -5.220  11.550   0.314
   65    HA   PRO  11           HA       PRO  11  -4.660   4.089  -2.807
   66   1HB   PRO  11          2HB       PRO  11  -7.019   4.440  -4.164
   67   2HB   PRO  11          1HB       PRO  11  -6.925   3.727  -2.540
   68   1HG   PRO  11          2HG       PRO  11  -7.631   6.509  -3.348
   69   2HG   PRO  11          1HG       PRO  11  -8.354   5.479  -2.101
   70   1HD   PRO  11          2HD       PRO  11  -6.602   7.461  -1.524
   71   2HD   PRO  11          1HD       PRO  11  -6.724   5.975  -0.555
   72    H    SER  12           H        SER  12  -5.647   7.304  -4.041
   73    HA   SER  12           HA       SER  12  -4.876   6.830  -6.788
   74   1HB   SER  12          2HB       SER  12  -5.025   9.341  -6.867
   75   2HB   SER  12          1HB       SER  12  -6.434   8.587  -6.128
   76    HG   SER  12           HG       SER  12  -5.964   9.588  -4.344
   77    H    ASN  13           H        ASN  13  -3.214   8.369  -4.015
   78    HA   ASN  13           HA       ASN  13  -0.669   8.368  -5.595
   79   1HB   ASN  13          2HB       ASN  13  -1.762  10.475  -4.547
   80   2HB   ASN  13          1HB       ASN  13  -1.238   9.813  -2.999
   81   1HD2  ASN  13          1HD2      ASN  13   0.969  10.070  -2.432
   82   2HD2  ASN  13          2HD2      ASN  13   2.134  10.748  -3.465
   83    H    ASP  14           H        ASP  14  -1.120   5.866  -4.817
   84    HA   ASP  14           HA       ASP  14  -0.240   5.322  -2.069
   85   1HB   ASP  14          2HB       ASP  14  -1.827   3.817  -2.993
   86   2HB   ASP  14          1HB       ASP  14  -0.953   3.700  -4.520
   87    H    GLN  15           H        GLN  15   1.896   5.621  -1.596
   88    HA   GLN  15           HA       GLN  15   3.942   4.865  -3.656
   89   1HB   GLN  15          2HB       GLN  15   3.959   6.809  -1.319
   90   2HB   GLN  15          1HB       GLN  15   5.379   6.449  -2.302
   91   1HG   GLN  15          2HG       GLN  15   2.760   7.588  -3.336
   92   2HG   GLN  15          1HG       GLN  15   4.254   8.496  -3.104
   93   1HE2  GLN  15          1HE2      GLN  15   6.245   7.359  -4.320
   94   2HE2  GLN  15          2HE2      GLN  15   5.908   6.822  -5.895
   95    H    CYS  16           H        CYS  16   2.825   2.771  -2.207
   96    HA   CYS  16           HA       CYS  16   4.228   2.176   0.259
   97   1HB   CYS  16          2HB       CYS  16   2.078   1.185  -1.232
   98   2HB   CYS  16          1HB       CYS  16   3.267  -0.115  -1.276
   99    H    CYS  17           H        CYS  17   5.973   0.698   0.552
  100    HA   CYS  17           HA       CYS  17   8.090   0.783  -1.375
  101   1HB   CYS  17          2HB       CYS  17   7.550  -0.173   1.296
  102   2HB   CYS  17          1HB       CYS  17   8.471  -1.388   0.413
  103    H    LYS  18           H        LYS  18   8.259  -0.389  -3.239
  104    HA   LYS  18           HA       LYS  18   6.494  -2.602  -3.879
  105   1HB   LYS  18          2HB       LYS  18   7.775  -0.801  -5.337
  106   2HB   LYS  18          1HB       LYS  18   9.055  -2.015  -5.336
  107   1HG   LYS  18          2HG       LYS  18   7.049  -3.644  -5.955
  108   2HG   LYS  18          1HG       LYS  18   6.315  -2.151  -6.539
  109   1HD   LYS  18          2HD       LYS  18   7.511  -2.410  -8.432
  110   2HD   LYS  18          1HD       LYS  18   8.956  -2.061  -7.482
  111   1HE   LYS  18          2HE       LYS  18   9.306  -4.422  -7.023
  112   2HE   LYS  18          1HE       LYS  18   7.759  -4.840  -7.786
  113   1HZ   LYS  18          1HZ       LYS  18  10.023  -3.465  -9.142
  114   2HZ   LYS  18          2HZ       LYS  18   8.546  -3.904  -9.861
  115   3HZ   LYS  18          3HZ       LYS  18   9.626  -5.103  -9.331
  116    H    SER  19           H        SER  19   9.588  -2.402  -2.284
  117    HA   SER  19           HA       SER  19  10.741  -4.920  -2.945
  118   1HB   SER  19          2HB       SER  19  11.913  -4.580  -0.755
  119   2HB   SER  19          1HB       SER  19  11.916  -3.138  -1.765
  120    HG   SER  19           HG       SER  19  10.628  -3.654   0.636
  121    H    SER  20           H        SER  20   8.259  -4.074  -0.524
  122    HA   SER  20           HA       SER  20   8.100  -6.935   0.315
  123   1HB   SER  20          2HB       SER  20   8.326  -4.960   1.917
  124   2HB   SER  20          1HB       SER  20   6.688  -4.511   1.452
  125    HG   SER  20           HG       SER  20   5.919  -6.197   2.503
  126    H    ASN  21           H        ASN  21   6.820  -5.284  -2.170
  127    HA   ASN  21           HA       ASN  21   4.831  -5.420  -3.420
  128   1HB   ASN  21          2HB       ASN  21   5.568  -7.945  -2.343
  129   2HB   ASN  21          1HB       ASN  21   3.812  -7.845  -2.230
  130   1HD2  ASN  21          1HD2      ASN  21   2.692  -8.351  -4.127
  131   2HD2  ASN  21          2HD2      ASN  21   3.372  -8.350  -5.682
  132    H    LEU  22           H        LEU  22   4.135  -3.535  -1.920
  133    HA   LEU  22           HA       LEU  22   1.722  -4.360  -0.332
  134   1HB   LEU  22          2HB       LEU  22   3.820  -2.220   0.097
  135   2HB   LEU  22          1HB       LEU  22   2.287  -2.224   0.968
  136    HG   LEU  22           HG       LEU  22   4.146  -4.612   0.926
  137   1HD1  LEU  22          1HD1      LEU  22   4.014  -3.084   3.417
  138   2HD1  LEU  22          2HD1      LEU  22   4.723  -2.156   2.096
  139   3HD1  LEU  22          3HD1      LEU  22   5.422  -3.707   2.559
  140   1HD2  LEU  22          1HD2      LEU  22   2.825  -5.070   3.071
  141   2HD2  LEU  22          2HD2      LEU  22   1.920  -5.219   1.566
  142   3HD2  LEU  22          3HD2      LEU  22   1.738  -3.777   2.564
  143    H    VAL  23           H        VAL  23  -0.173  -3.258  -0.790
  144    HA   VAL  23           HA       VAL  23  -0.047  -0.913  -2.652
  145    HB   VAL  23           HB       VAL  23  -2.034  -1.972  -3.816
  146   1HG1  VAL  23          1HG1      VAL  23   0.409  -3.757  -3.856
  147   2HG1  VAL  23          2HG1      VAL  23   0.391  -2.149  -4.581
  148   3HG1  VAL  23          3HG1      VAL  23  -0.694  -3.401  -5.185
  149   1HG2  VAL  23          1HG2      VAL  23  -2.935  -3.921  -3.095
  150   2HG2  VAL  23          2HG2      VAL  23  -2.015  -3.675  -1.612
  151   3HG2  VAL  23          3HG2      VAL  23  -1.351  -4.672  -2.906
  152    H    CYS  24           H        CYS  24  -1.783   0.598  -2.348
  153    HA   CYS  24           HA       CYS  24  -3.018   0.503   0.318
  154   1HB   CYS  24          2HB       CYS  24  -2.151   2.456  -1.509
  155   2HB   CYS  24          1HB       CYS  24  -3.900   2.652  -1.424
  156    H    SER  25           H        SER  25  -4.993  -0.392   0.678
  157    HA   SER  25           HA       SER  25  -6.782  -0.985  -1.623
  158   1HB   SER  25          2HB       SER  25  -5.978  -2.345   0.665
  159   2HB   SER  25          1HB       SER  25  -7.604  -1.805   1.073
  160    HG   SER  25           HG       SER  25  -8.413  -2.992  -0.523
  161    H    ARG  26           H        ARG  26  -9.027  -0.341  -1.568
  162    HA   ARG  26           HA       ARG  26  -9.483   2.285  -0.316
  163   1HB   ARG  26          2HB       ARG  26 -10.881   0.478  -2.277
  164   2HB   ARG  26          1HB       ARG  26 -11.728   1.870  -1.602
  165   1HG   ARG  26          2HG       ARG  26 -10.380   3.393  -2.681
  166   2HG   ARG  26          1HG       ARG  26  -8.970   2.334  -2.636
  167   1HD   ARG  26          2HD       ARG  26  -9.454   2.096  -4.878
  168   2HD   ARG  26          1HD       ARG  26 -10.601   0.886  -4.272
  169    HE   ARG  26           HE       ARG  26 -11.800   3.494  -4.139
  170   1HH1  ARG  26          2HH1      ARG  26 -10.663   3.620  -6.893
  171   2HH1  ARG  26          1HH1      ARG  26 -11.910   2.889  -7.846
  172   1HH2  ARG  26          1HH2      ARG  26 -13.497   1.424  -5.123
  173   2HH2  ARG  26          2HH2      ARG  26 -13.519   1.642  -6.841
  174    H    ALA  27           H        ALA  27 -10.070  -0.985   0.576
  175    HA   ALA  27           HA       ALA  27 -12.583  -0.850   1.901
  176   1HB   ALA  27          1HB       ALA  27 -11.705  -2.801   3.130
  177   2HB   ALA  27          2HB       ALA  27 -10.067  -2.386   2.626
  178   3HB   ALA  27          3HB       ALA  27 -11.256  -2.895   1.427
  179    H    HIS  28           H        HIS  28  -9.304  -0.194   3.157
  180    HA   HIS  28           HA       HIS  28 -10.554   1.394   5.373
  181   1HB   HIS  28          2HB       HIS  28  -8.887  -1.006   5.414
  182   2HB   HIS  28          1HB       HIS  28  -8.181   0.301   6.365
  183    HD1  HIS  28           HD1      HIS  28 -10.022   1.515   8.051
  184    HD2  HIS  28           HD2      HIS  28 -10.859  -2.368   6.785
  185    HE1  HIS  28           HE1      HIS  28 -11.747   0.594   9.661
  186    H    ARG  29           H        ARG  29  -9.010   1.938   2.672
  187    HA   ARG  29           HA       ARG  29  -7.353   3.433   1.898
  188   1HB   ARG  29          2HB       ARG  29  -8.582   4.589   4.385
  189   2HB   ARG  29          1HB       ARG  29  -7.272   5.463   3.593
  190   1HG   ARG  29          2HG       ARG  29  -8.645   5.106   1.414
  191   2HG   ARG  29          1HG       ARG  29  -9.989   4.754   2.499
  192   1HD   ARG  29          2HD       ARG  29 -10.326   7.007   2.554
  193   2HD   ARG  29          1HD       ARG  29  -8.874   7.081   3.573
  194    HE   ARG  29           HE       ARG  29  -8.773   7.271   0.581
  195   1HH1  ARG  29          2HH1      ARG  29  -6.208   6.776   2.087
  196   2HH1  ARG  29          1HH1      ARG  29  -5.597   8.385   2.289
  197   1HH2  ARG  29          1HH2      ARG  29  -8.629   9.911   1.550
  198   2HH2  ARG  29          2HH2      ARG  29  -6.971  10.163   1.984
  199    H    TRP  30           H        TRP  30  -6.036   1.296   2.908
  200    HA   TRP  30           HA       TRP  30  -3.694   2.525   4.273
  201   1HB   TRP  30          2HB       TRP  30  -3.723   0.941   6.049
  202   2HB   TRP  30          1HB       TRP  30  -5.397   1.465   5.894
  203    HD1  TRP  30           HD1      TRP  30  -6.726  -0.202   3.880
  204    HE1  TRP  30           HE1      TRP  30  -6.824  -2.778   3.943
  205    HE3  TRP  30           HE3      TRP  30  -2.729  -1.157   6.904
  206    HZ2  TRP  30           HZ2      TRP  30  -5.393  -4.954   5.122
  207    HZ3  TRP  30           HZ3      TRP  30  -2.118  -3.489   7.481
  208    HH2  TRP  30           HH2      TRP  30  -3.444  -5.387   6.594
  209    H    CYS  31           H        CYS  31  -1.803   0.945   4.244
  210    HA   CYS  31           HA       CYS  31  -1.643  -0.329   1.579
  211   1HB   CYS  31          2HB       CYS  31   0.108   0.926   3.525
  212   2HB   CYS  31          1HB       CYS  31   0.768  -0.625   3.008
  213    H    LYS  32           H        LYS  32  -1.775  -2.509   1.276
  214    HA   LYS  32           HA       LYS  32  -1.338  -4.335   3.615
  215   1HB   LYS  32          2HB       LYS  32  -3.314  -5.611   2.832
  216   2HB   LYS  32          1HB       LYS  32  -3.747  -3.947   3.220
  217   1HG   LYS  32          2HG       LYS  32  -3.895  -3.328   0.940
  218   2HG   LYS  32          1HG       LYS  32  -3.001  -4.752   0.407
  219   1HD   LYS  32          2HD       LYS  32  -5.117  -5.901   1.721
  220   2HD   LYS  32          1HD       LYS  32  -5.868  -4.460   1.034
  221   1HE   LYS  32          2HE       LYS  32  -4.634  -5.164  -1.171
  222   2HE   LYS  32          1HE       LYS  32  -4.546  -6.759  -0.398
  223   1HZ   LYS  32          1HZ       LYS  32  -6.935  -6.627   0.036
  224   2HZ   LYS  32          2HZ       LYS  32  -6.610  -6.538  -1.629
  225   3HZ   LYS  32          3HZ       LYS  32  -7.010  -5.132  -0.764
  226    H    TYR  33           H        TYR  33  -1.036  -6.666   2.803
  227    HA   TYR  33           HA       TYR  33   0.822  -6.633   0.488
  228   1HB   TYR  33          2HB       TYR  33   1.469  -7.628   2.663
  229   2HB   TYR  33          1HB       TYR  33   0.117  -8.755   2.548
  230    HD1  TYR  33           HD1      TYR  33   3.348  -7.755   1.020
  231    HD2  TYR  33           HD2      TYR  33   0.213 -10.690   1.123
  232    HE1  TYR  33           HE1      TYR  33   4.739  -9.289  -0.344
  233    HE2  TYR  33           HE2      TYR  33   1.605 -12.225  -0.240
  234    HH   TYR  33           HH       TYR  33   4.559 -12.248  -0.543
  235    H    GLU  34           H        GLU  34   0.462  -7.849  -1.390
  236    HA   GLU  34           HA       GLU  34  -2.296  -8.968  -1.717
  237   1HB   GLU  34          2HB       GLU  34  -0.937  -7.074  -3.142
  238   2HB   GLU  34          1HB       GLU  34  -0.523  -8.525  -4.056
  239   1HG   GLU  34          2HG       GLU  34  -3.350  -7.710  -3.313
  240   2HG   GLU  34          1HG       GLU  34  -2.609  -7.427  -4.887
  241    H    ILE  35           H        ILE  35  -2.383 -11.174  -1.640
  242    HA   ILE  35           HA       ILE  35   0.067 -12.776  -2.029
  243    HB   ILE  35           HB       ILE  35  -1.652 -13.086  -0.189
  244   1HG1  ILE  35          2HG1      ILE  35  -1.763 -15.698  -1.479
  245   2HG1  ILE  35          1HG1      ILE  35  -0.168 -14.966  -1.641
  246   1HG2  ILE  35          1HG2      ILE  35  -3.761 -14.083  -0.670
  247   2HG2  ILE  35          2HG2      ILE  35  -3.308 -14.420  -2.340
  248   3HG2  ILE  35          3HG2      ILE  35  -3.604 -12.759  -1.823
  249   1HD1  ILE  35          1HD1      ILE  35  -0.570 -16.367   0.469
  250   2HD1  ILE  35          2HD1      ILE  35  -1.622 -15.058   1.007
  251   3HD1  ILE  35          3HD1      ILE  35   0.090 -14.749   0.714
  252   1HN   NH2  36          1HN       NH2  36  -1.898 -12.340  -5.362
  253   2HN   NH2  36          2HN       NH2  36  -1.522 -11.239  -4.019
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1   9.778   9.495   2.884
    2   2H    GLU   1          2H        GLU   1  10.847   9.620   4.198
    3   3H    GLU   1          3H        GLU   1   9.267   9.041   4.437
    4    HA   GLU   1           HA       GLU   1  11.439   7.679   2.920
    5   1HB   GLU   1          2HB       GLU   1  11.083   7.911   5.597
    6   2HB   GLU   1          1HB       GLU   1  10.030   6.532   5.278
    7   1HG   GLU   1          2HG       GLU   1  11.803   5.228   4.408
    8   2HG   GLU   1          1HG       GLU   1  12.840   6.637   4.183
    9    H    CYS   2           H        CYS   2  10.635   5.248   2.702
   10    HA   CYS   2           HA       CYS   2   8.318   5.225   0.973
   11   1HB   CYS   2          2HB       CYS   2  10.140   3.704   0.595
   12   2HB   CYS   2          1HB       CYS   2  10.079   3.114   2.254
   13    H    LEU   3           H        LEU   3   6.255   4.322   1.355
   14    HA   LEU   3           HA       LEU   3   5.311   4.423   4.138
   15   1HB   LEU   3          2HB       LEU   3   3.976   3.822   1.475
   16   2HB   LEU   3          1HB       LEU   3   3.113   4.053   2.995
   17    HG   LEU   3           HG       LEU   3   5.031   6.143   1.961
   18   1HD1  LEU   3          1HD1      LEU   3   3.548   6.923   0.434
   19   2HD1  LEU   3          2HD1      LEU   3   2.175   6.659   1.510
   20   3HD1  LEU   3          3HD1      LEU   3   2.799   5.329   0.535
   21   1HD2  LEU   3          1HD2      LEU   3   3.785   7.598   3.430
   22   2HD2  LEU   3          2HD2      LEU   3   4.157   6.138   4.346
   23   3HD2  LEU   3          3HD2      LEU   3   2.542   6.373   3.681
   24    H    GLY   4           H        GLY   4   5.889   2.609   5.330
   25   1HA   GLY   4          2HA       GLY   4   5.925  -0.063   4.124
   26   2HA   GLY   4          1HA       GLY   4   6.275   0.320   5.809
   27    H    PHE   5           H        PHE   5   4.903  -1.284   6.674
   28    HA   PHE   5           HA       PHE   5   2.108  -1.534   5.868
   29   1HB   PHE   5          2HB       PHE   5   3.597  -3.354   6.766
   30   2HB   PHE   5          1HB       PHE   5   3.563  -2.549   8.334
   31    HD1  PHE   5           HD1      PHE   5   2.091  -3.498   9.857
   32    HD2  PHE   5           HD2      PHE   5   1.035  -3.451   5.693
   33    HE1  PHE   5           HE1      PHE   5  -0.055  -4.620  10.389
   34    HE2  PHE   5           HE2      PHE   5  -1.112  -4.574   6.224
   35    HZ   PHE   5           HZ       PHE   5  -1.657  -5.159   8.573
   36    H    GLY   6           H        GLY   6   0.355  -0.495   6.765
   37   1HA   GLY   6          2HA       GLY   6  -0.900   0.667   8.428
   38   2HA   GLY   6          1HA       GLY   6   0.563   0.808   9.402
   39    H    LYS   7           H        LYS   7   0.147   1.748   5.991
   40    HA   LYS   7           HA       LYS   7   0.441   4.618   6.796
   41   1HB   LYS   7          2HB       LYS   7   2.144   2.883   5.037
   42   2HB   LYS   7          1HB       LYS   7   1.970   4.586   4.615
   43   1HG   LYS   7          2HG       LYS   7   2.861   3.555   7.326
   44   2HG   LYS   7          1HG       LYS   7   3.940   4.182   6.080
   45   1HD   LYS   7          2HD       LYS   7   2.076   6.196   6.268
   46   2HD   LYS   7          1HD       LYS   7   2.174   5.636   7.938
   47   1HE   LYS   7          2HE       LYS   7   4.748   5.762   7.631
   48   2HE   LYS   7          1HE       LYS   7   4.385   6.754   6.205
   49   1HZ   LYS   7          1HZ       LYS   7   2.951   8.139   7.613
   50   2HZ   LYS   7          2HZ       LYS   7   4.563   8.161   8.146
   51   3HZ   LYS   7          3HZ       LYS   7   3.405   7.232   8.973
   52    H    GLY   8           H        GLY   8  -1.083   5.855   5.779
   53   1HA   GLY   8          2HA       GLY   8  -2.861   4.677   3.801
   54   2HA   GLY   8          1HA       GLY   8  -2.931   6.335   4.395
   55    H    CYS   9           H        CYS   9  -2.752   4.869   1.603
   56    HA   CYS   9           HA       CYS   9  -0.965   6.935   0.399
   57   1HB   CYS   9          2HB       CYS   9   0.508   5.380  -0.372
   58   2HB   CYS   9          1HB       CYS   9  -0.210   4.302   0.820
   59    H    ASN  10           H        ASN  10  -1.317   6.899  -2.103
   60    HA   ASN  10           HA       ASN  10  -4.226   6.938  -2.599
   61   1HB   ASN  10          2HB       ASN  10  -1.712   7.830  -3.998
   62   2HB   ASN  10          1HB       ASN  10  -3.237   7.785  -4.881
   63   1HD2  ASN  10          1HD2      ASN  10  -1.341   9.904  -3.200
   64   2HD2  ASN  10          2HD2      ASN  10  -2.536  10.942  -2.587
   65    HA   PRO  11           HA       PRO  11  -4.356   3.035  -4.671
   66   1HB   PRO  11          2HB       PRO  11  -6.463   3.474  -6.368
   67   2HB   PRO  11          1HB       PRO  11  -6.661   3.194  -4.627
   68   1HG   PRO  11          2HG       PRO  11  -6.700   5.752  -6.149
   69   2HG   PRO  11          1HG       PRO  11  -7.698   5.238  -4.780
   70   1HD   PRO  11          2HD       PRO  11  -5.588   6.938  -4.529
   71   2HD   PRO  11          1HD       PRO  11  -6.125   5.850  -3.229
   72    H    SER  12           H        SER  12  -4.743   5.873  -6.850
   73    HA   SER  12           HA       SER  12  -3.641   4.545  -9.180
   74   1HB   SER  12          2HB       SER  12  -3.586   6.901 -10.034
   75   2HB   SER  12          1HB       SER  12  -5.134   6.485  -9.307
   76    HG   SER  12           HG       SER  12  -3.242   8.315  -8.533
   77    H    ASN  13           H        ASN  13  -2.299   6.670  -6.652
   78    HA   ASN  13           HA       ASN  13   0.444   6.317  -7.781
   79   1HB   ASN  13          2HB       ASN  13  -1.021   8.302  -6.099
   80   2HB   ASN  13          1HB       ASN  13   0.695   8.094  -5.750
   81   1HD2  ASN  13          1HD2      ASN  13   1.955   9.542  -6.920
   82   2HD2  ASN  13          2HD2      ASN  13   1.606  10.102  -8.484
   83    H    ASP  14           H        ASP  14  -0.085   3.954  -6.859
   84    HA   ASP  14           HA       ASP  14  -0.052   3.445  -4.045
   85   1HB   ASP  14          2HB       ASP  14  -0.607   1.911  -6.019
   86   2HB   ASP  14          1HB       ASP  14   1.132   1.716  -6.235
   87    H    GLN  15           H        GLN  15   1.569   4.207  -2.730
   88    HA   GLN  15           HA       GLN  15   4.404   3.987  -3.692
   89   1HB   GLN  15          2HB       GLN  15   3.008   6.200  -2.946
   90   2HB   GLN  15          1HB       GLN  15   3.681   5.720  -1.388
   91   1HG   GLN  15          2HG       GLN  15   5.889   5.433  -2.899
   92   2HG   GLN  15          1HG       GLN  15   5.073   6.681  -3.840
   93   1HE2  GLN  15          1HE2      GLN  15   5.279   8.812  -3.077
   94   2HE2  GLN  15          2HE2      GLN  15   5.849   9.226  -1.532
   95    H    CYS  16           H        CYS  16   2.839   1.812  -2.400
   96    HA   CYS  16           HA       CYS  16   3.654   1.631   0.396
   97   1HB   CYS  16          2HB       CYS  16   2.539  -0.305  -1.655
   98   2HB   CYS  16          1HB       CYS  16   2.846  -0.764   0.019
   99    H    CYS  17           H        CYS  17   5.284   0.205   1.236
  100    HA   CYS  17           HA       CYS  17   7.728   0.066  -0.306
  101   1HB   CYS  17          2HB       CYS  17   6.744  -0.445   2.393
  102   2HB   CYS  17          1HB       CYS  17   7.937  -1.645   1.901
  103    H    LYS  18           H        LYS  18   8.562  -1.632  -1.490
  104    HA   LYS  18           HA       LYS  18   6.802  -3.962  -1.997
  105   1HB   LYS  18          2HB       LYS  18   9.186  -2.646  -3.258
  106   2HB   LYS  18          1HB       LYS  18   8.806  -4.313  -3.692
  107   1HG   LYS  18          2HG       LYS  18   6.346  -2.917  -3.724
  108   2HG   LYS  18          1HG       LYS  18   7.507  -1.883  -4.557
  109   1HD   LYS  18          2HD       LYS  18   8.162  -3.779  -5.999
  110   2HD   LYS  18          1HD       LYS  18   6.996  -4.810  -5.171
  111   1HE   LYS  18          2HE       LYS  18   5.965  -2.236  -6.291
  112   2HE   LYS  18          1HE       LYS  18   6.351  -3.531  -7.440
  113   1HZ   LYS  18          1HZ       LYS  18   4.080  -3.742  -6.594
  114   2HZ   LYS  18          2HZ       LYS  18   4.670  -3.840  -5.003
  115   3HZ   LYS  18          3HZ       LYS  18   5.033  -5.064  -6.126
  116    H    SER  19           H        SER  19   8.716  -3.532   0.513
  117    HA   SER  19           HA       SER  19  10.677  -5.663   0.353
  118   1HB   SER  19          2HB       SER  19  10.541  -3.614   1.916
  119   2HB   SER  19          1HB       SER  19   9.366  -4.543   2.843
  120    HG   SER  19           HG       SER  19  11.688  -4.714   3.436
  121    H    SER  20           H        SER  20   7.353  -5.430   1.632
  122    HA   SER  20           HA       SER  20   7.316  -8.422   1.899
  123   1HB   SER  20          2HB       SER  20   6.803  -6.286   3.741
  124   2HB   SER  20          1HB       SER  20   5.288  -7.136   3.457
  125    HG   SER  20           HG       SER  20   7.717  -8.067   4.513
  126    H    ASN  21           H        ASN  21   6.583  -6.629  -0.455
  127    HA   ASN  21           HA       ASN  21   4.867  -6.436  -2.059
  128   1HB   ASN  21          2HB       ASN  21   5.241  -8.982  -1.509
  129   2HB   ASN  21          1HB       ASN  21   3.643  -8.864  -0.771
  130   1HD2  ASN  21          1HD2      ASN  21   5.388  -8.404  -3.863
  131   2HD2  ASN  21          2HD2      ASN  21   4.012  -8.546  -4.846
  132    H    LEU  22           H        LEU  22   4.111  -4.491  -0.736
  133    HA   LEU  22           HA       LEU  22   1.510  -5.014   0.657
  134   1HB   LEU  22          2HB       LEU  22   3.627  -2.862   0.808
  135   2HB   LEU  22          1HB       LEU  22   2.033  -2.640   1.531
  136    HG   LEU  22           HG       LEU  22   3.368  -5.214   2.151
  137   1HD1  LEU  22          1HD1      LEU  22   4.497  -2.538   2.924
  138   2HD1  LEU  22          2HD1      LEU  22   5.347  -4.014   2.466
  139   3HD1  LEU  22          3HD1      LEU  22   4.597  -3.887   4.057
  140   1HD2  LEU  22          1HD2      LEU  22   1.679  -5.114   3.641
  141   2HD2  LEU  22          2HD2      LEU  22   1.346  -3.434   3.217
  142   3HD2  LEU  22          3HD2      LEU  22   2.543  -3.812   4.457
  143    H    VAL  23           H        VAL  23  -0.353  -4.055  -0.124
  144    HA   VAL  23           HA       VAL  23  -0.098  -2.220  -2.491
  145    HB   VAL  23           HB       VAL  23  -2.155  -3.363  -3.337
  146   1HG1  VAL  23          1HG1      VAL  23  -1.041  -5.308  -4.141
  147   2HG1  VAL  23          2HG1      VAL  23  -0.024  -5.411  -2.704
  148   3HG1  VAL  23          3HG1      VAL  23   0.230  -4.115  -3.873
  149   1HG2  VAL  23          1HG2      VAL  23  -1.684  -5.267  -1.016
  150   2HG2  VAL  23          2HG2      VAL  23  -2.921  -5.427  -2.262
  151   3HG2  VAL  23          3HG2      VAL  23  -3.002  -4.098  -1.107
  152    H    CYS  24           H        CYS  24  -1.870  -0.667  -2.704
  153    HA   CYS  24           HA       CYS  24  -2.939   0.189  -0.083
  154   1HB   CYS  24          2HB       CYS  24  -2.048   1.395  -2.498
  155   2HB   CYS  24          1HB       CYS  24  -3.750   1.816  -2.310
  156    H    SER  25           H        SER  25  -4.969  -0.422   0.545
  157    HA   SER  25           HA       SER  25  -6.784  -1.786  -1.292
  158   1HB   SER  25          2HB       SER  25  -8.003  -2.235   0.676
  159   2HB   SER  25          1HB       SER  25  -6.353  -2.078   1.270
  160    HG   SER  25           HG       SER  25  -6.863   0.127   1.744
  161    H    ARG  26           H        ARG  26  -9.032  -1.037  -1.679
  162    HA   ARG  26           HA       ARG  26  -9.107   1.845  -2.326
  163   1HB   ARG  26          2HB       ARG  26 -11.081   1.199  -3.609
  164   2HB   ARG  26          1HB       ARG  26  -9.797   0.028  -3.901
  165   1HG   ARG  26          2HG       ARG  26 -11.170  -1.618  -3.220
  166   2HG   ARG  26          1HG       ARG  26 -11.240  -0.877  -1.622
  167   1HD   ARG  26          2HD       ARG  26 -13.484  -0.709  -2.117
  168   2HD   ARG  26          1HD       ARG  26 -12.963   0.744  -2.994
  169    HE   ARG  26           HE       ARG  26 -13.390  -1.937  -4.247
  170   1HH1  ARG  26          2HH1      ARG  26 -15.271   0.148  -5.037
  171   2HH1  ARG  26          1HH1      ARG  26 -14.548   0.840  -6.451
  172   1HH2  ARG  26          1HH2      ARG  26 -11.399  -0.485  -5.810
  173   2HH2  ARG  26          2HH2      ARG  26 -12.351   0.477  -6.891
  174    H    ALA  27           H        ALA  27 -10.229  -0.200   0.231
  175    HA   ALA  27           HA       ALA  27 -12.489   1.556   0.968
  176   1HB   ALA  27          1HB       ALA  27 -12.696  -0.861   1.194
  177   2HB   ALA  27          2HB       ALA  27 -12.692  -0.146   2.807
  178   3HB   ALA  27          3HB       ALA  27 -11.238  -0.924   2.184
  179    H    HIS  28           H        HIS  28  -9.430   0.476   2.488
  180    HA   HIS  28           HA       HIS  28  -9.603   2.716   4.439
  181   1HB   HIS  28          2HB       HIS  28  -8.343   0.057   4.232
  182   2HB   HIS  28          1HB       HIS  28  -7.315   1.277   4.984
  183    HD1  HIS  28           HD1      HIS  28  -8.418   2.599   7.060
  184    HD2  HIS  28           HD2      HIS  28 -10.389  -0.880   5.879
  185    HE1  HIS  28           HE1      HIS  28  -9.969   1.974   8.961
  186    H    ARG  29           H        ARG  29  -8.053   2.012   1.431
  187    HA   ARG  29           HA       ARG  29  -6.337   3.102   0.234
  188   1HB   ARG  29          2HB       ARG  29  -7.522   5.183   2.073
  189   2HB   ARG  29          1HB       ARG  29  -6.220   5.607   0.962
  190   1HG   ARG  29          2HG       ARG  29  -7.876   4.219  -0.705
  191   2HG   ARG  29          1HG       ARG  29  -9.047   4.954   0.390
  192   1HD   ARG  29          2HD       ARG  29  -7.044   6.918  -0.308
  193   2HD   ARG  29          1HD       ARG  29  -7.731   6.212  -1.783
  194    HE   ARG  29           HE       ARG  29 -10.000   6.723  -0.819
  195   1HH1  ARG  29          2HH1      ARG  29  -8.587   9.314  -1.444
  196   2HH1  ARG  29          1HH1      ARG  29  -8.832  10.213   0.016
  197   1HH2  ARG  29          1HH2      ARG  29  -9.733   7.434   1.895
  198   2HH2  ARG  29          2HH2      ARG  29  -9.481   9.147   1.909
  199    H    TRP  30           H        TRP  30  -5.143   1.453   1.947
  200    HA   TRP  30           HA       TRP  30  -2.813   3.002   2.940
  201   1HB   TRP  30          2HB       TRP  30  -3.029   2.225   5.172
  202   2HB   TRP  30          1HB       TRP  30  -4.673   2.666   4.720
  203    HD1  TRP  30           HD1      TRP  30  -5.880   0.346   3.339
  204    HE1  TRP  30           HE1      TRP  30  -6.084  -2.006   4.371
  205    HE3  TRP  30           HE3      TRP  30  -2.239   0.636   6.891
  206    HZ2  TRP  30           HZ2      TRP  30  -4.862  -3.558   6.440
  207    HZ3  TRP  30           HZ3      TRP  30  -1.775  -1.290   8.381
  208    HH2  TRP  30           HH2      TRP  30  -3.082  -3.385   8.160
  209    H    CYS  31           H        CYS  31  -0.972   1.540   3.451
  210    HA   CYS  31           HA       CYS  31  -0.672  -0.565   1.470
  211   1HB   CYS  31          2HB       CYS  31   1.016   0.346   3.824
  212   2HB   CYS  31          1HB       CYS  31   1.568  -0.770   2.576
  213    H    LYS  32           H        LYS  32  -1.366  -2.632   1.729
  214    HA   LYS  32           HA       LYS  32  -1.358  -3.830   4.474
  215   1HB   LYS  32          2HB       LYS  32  -3.554  -4.829   3.937
  216   2HB   LYS  32          1HB       LYS  32  -3.627  -3.072   3.829
  217   1HG   LYS  32          2HG       LYS  32  -4.334  -3.236   1.700
  218   2HG   LYS  32          1HG       LYS  32  -2.831  -4.052   1.269
  219   1HD   LYS  32          2HD       LYS  32  -4.095  -5.874   0.835
  220   2HD   LYS  32          1HD       LYS  32  -4.292  -6.027   2.580
  221   1HE   LYS  32          2HE       LYS  32  -6.530  -5.907   2.005
  222   2HE   LYS  32          1HE       LYS  32  -6.203  -4.164   2.077
  223   1HZ   LYS  32          1HZ       LYS  32  -7.210  -4.823  -0.051
  224   2HZ   LYS  32          2HZ       LYS  32  -5.896  -5.858  -0.351
  225   3HZ   LYS  32          3HZ       LYS  32  -5.656  -4.178  -0.262
  226    H    TYR  33           H        TYR  33  -1.300  -6.245   4.393
  227    HA   TYR  33           HA       TYR  33   0.594  -7.213   2.411
  228   1HB   TYR  33          2HB       TYR  33  -0.231  -7.875   4.978
  229   2HB   TYR  33          1HB       TYR  33  -0.855  -9.209   4.006
  230    HD1  TYR  33           HD1      TYR  33   0.631 -10.742   2.859
  231    HD2  TYR  33           HD2      TYR  33   2.188  -7.380   5.032
  232    HE1  TYR  33           HE1      TYR  33   2.913 -11.700   2.706
  233    HE2  TYR  33           HE2      TYR  33   4.469  -8.338   4.880
  234    HH   TYR  33           HH       TYR  33   5.528 -10.259   2.908
  235    H    GLU  34           H        GLU  34   0.128  -9.288   1.166
  236    HA   GLU  34           HA       GLU  34  -1.979  -8.964  -0.709
  237   1HB   GLU  34          2HB       GLU  34  -0.217 -11.260   0.161
  238   2HB   GLU  34          1HB       GLU  34  -1.392 -11.458  -1.140
  239   1HG   GLU  34          2HG       GLU  34  -0.059  -9.038  -1.695
  240   2HG   GLU  34          1HG       GLU  34   1.203 -10.171  -1.212
  241    H    ILE  35           H        ILE  35  -4.135  -9.080  -0.231
  242    HA   ILE  35           HA       ILE  35  -5.135 -10.686   2.022
  243    HB   ILE  35           HB       ILE  35  -5.917  -8.375   1.302
  244   1HG1  ILE  35          2HG1      ILE  35  -8.248 -10.269   1.210
  245   2HG1  ILE  35          1HG1      ILE  35  -7.236 -10.218   2.654
  246   1HG2  ILE  35          1HG2      ILE  35  -7.489  -9.861  -0.810
  247   2HG2  ILE  35          2HG2      ILE  35  -5.951  -9.080  -1.174
  248   3HG2  ILE  35          3HG2      ILE  35  -7.312  -8.118  -0.602
  249   1HD1  ILE  35          1HD1      ILE  35  -8.330  -7.685   1.435
  250   2HD1  ILE  35          2HD1      ILE  35  -7.744  -7.953   3.077
  251   3HD1  ILE  35          3HD1      ILE  35  -9.287  -8.639   2.567
  252   1HN   NH2  36          1HN       NH2  36  -4.813 -12.957  -1.022
  253   2HN   NH2  36          2HN       NH2  36  -3.795 -11.727  -0.243
  Start of MODEL   11
    1   1H    GLU   1          1H        GLU   1  12.202   7.891   0.333
    2   2H    GLU   1          2H        GLU   1  12.581   8.682   1.786
    3   3H    GLU   1          3H        GLU   1  11.078   8.946   1.038
    4    HA   GLU   1           HA       GLU   1  11.969   6.313   2.110
    5   1HB   GLU   1          2HB       GLU   1  10.599   6.864   4.044
    6   2HB   GLU   1          1HB       GLU   1  11.752   8.172   3.794
    7   1HG   GLU   1          2HG       GLU   1  10.048   9.633   3.647
    8   2HG   GLU   1          1HG       GLU   1   9.436   8.768   2.237
    9    H    CYS   2           H        CYS   2   9.752   5.118   2.657
   10    HA   CYS   2           HA       CYS   2   7.688   5.656   0.564
   11   1HB   CYS   2          2HB       CYS   2   7.834   3.250  -0.092
   12   2HB   CYS   2          1HB       CYS   2   9.338   4.117  -0.399
   13    H    LEU   3           H        LEU   3   5.782   4.047   0.918
   14    HA   LEU   3           HA       LEU   3   5.152   4.003   3.823
   15   1HB   LEU   3          2HB       LEU   3   3.524   3.568   1.294
   16   2HB   LEU   3          1HB       LEU   3   2.846   3.559   2.921
   17    HG   LEU   3           HG       LEU   3   4.448   5.901   1.877
   18   1HD1  LEU   3          1HD1      LEU   3   2.590   6.856   0.898
   19   2HD1  LEU   3          2HD1      LEU   3   1.462   5.986   1.938
   20   3HD1  LEU   3          3HD1      LEU   3   2.229   5.159   0.583
   21   1HD2  LEU   3          1HD2      LEU   3   4.149   5.815   4.292
   22   2HD2  LEU   3          2HD2      LEU   3   2.420   5.522   4.105
   23   3HD2  LEU   3          3HD2      LEU   3   3.106   7.080   3.643
   24    H    GLY   4           H        GLY   4   6.084   2.139   4.701
   25   1HA   GLY   4          2HA       GLY   4   6.188  -0.396   3.298
   26   2HA   GLY   4          1HA       GLY   4   6.561  -0.145   5.003
   27    H    PHE   5           H        PHE   5   5.339  -2.302   5.065
   28    HA   PHE   5           HA       PHE   5   2.482  -2.376   4.636
   29   1HB   PHE   5          2HB       PHE   5   3.972  -4.346   4.682
   30   2HB   PHE   5          1HB       PHE   5   4.338  -4.038   6.378
   31    HD1  PHE   5           HD1      PHE   5   1.164  -4.085   4.350
   32    HD2  PHE   5           HD2      PHE   5   3.296  -5.582   7.768
   33    HE1  PHE   5           HE1      PHE   5  -0.829  -5.400   5.020
   34    HE2  PHE   5           HE2      PHE   5   1.302  -6.894   8.436
   35    HZ   PHE   5           HZ       PHE   5  -0.760  -6.802   7.063
   36    H    GLY   6           H        GLY   6   1.018  -1.249   5.843
   37   1HA   GLY   6          2HA       GLY   6  -0.011  -1.124   8.137
   38   2HA   GLY   6          1HA       GLY   6   1.614  -0.811   8.746
   39    H    LYS   7           H        LYS   7   2.426   0.986   6.635
   40    HA   LYS   7           HA       LYS   7   1.502   3.490   7.663
   41   1HB   LYS   7          2HB       LYS   7   3.375   2.444   5.757
   42   2HB   LYS   7          1HB       LYS   7   2.493   3.765   4.993
   43   1HG   LYS   7          2HG       LYS   7   3.765   5.228   6.134
   44   2HG   LYS   7          1HG       LYS   7   3.079   4.612   7.635
   45   1HD   LYS   7          2HD       LYS   7   5.354   3.191   6.253
   46   2HD   LYS   7          1HD       LYS   7   5.648   4.515   7.380
   47   1HE   LYS   7          2HE       LYS   7   4.773   3.318   9.214
   48   2HE   LYS   7          1HE       LYS   7   3.877   2.197   8.171
   49   1HZ   LYS   7          1HZ       LYS   7   5.921   1.185   9.015
   50   2HZ   LYS   7          2HZ       LYS   7   6.840   2.424   8.305
   51   3HZ   LYS   7          3HZ       LYS   7   5.966   1.343   7.328
   52    H    GLY   8           H        GLY   8   0.079   5.057   6.711
   53   1HA   GLY   8          2HA       GLY   8  -2.134   3.884   5.158
   54   2HA   GLY   8          1HA       GLY   8  -2.110   5.494   5.876
   55    H    CYS   9           H        CYS   9  -2.766   4.608   3.088
   56    HA   CYS   9           HA       CYS   9  -1.073   6.604   1.680
   57   1HB   CYS   9          2HB       CYS   9  -0.702   4.904  -0.154
   58   2HB   CYS   9          1HB       CYS   9   0.108   4.508   1.359
   59    H    ASN  10           H        ASN  10  -1.990   6.534  -0.810
   60    HA   ASN  10           HA       ASN  10  -4.961   6.814  -0.547
   61   1HB   ASN  10          2HB       ASN  10  -2.779   8.088  -2.184
   62   2HB   ASN  10          1HB       ASN  10  -4.446   8.151  -2.760
   63   1HD2  ASN  10          1HD2      ASN  10  -2.308   9.154  -0.083
   64   2HD2  ASN  10          2HD2      ASN  10  -3.365  10.328   0.538
   65    HA   PRO  11           HA       PRO  11  -5.437   3.341  -3.251
   66   1HB   PRO  11          2HB       PRO  11  -7.962   3.879  -4.178
   67   2HB   PRO  11          1HB       PRO  11  -7.638   3.230  -2.558
   68   1HG   PRO  11          2HG       PRO  11  -8.224   6.029  -3.392
   69   2HG   PRO  11          1HG       PRO  11  -8.779   5.137  -1.967
   70   1HD   PRO  11          2HD       PRO  11  -6.771   6.959  -1.875
   71   2HD   PRO  11          1HD       PRO  11  -6.853   5.555  -0.788
   72    H    SER  12           H        SER  12  -6.482   6.532  -4.520
   73    HA   SER  12           HA       SER  12  -6.056   5.815  -7.309
   74   1HB   SER  12          2HB       SER  12  -7.606   7.589  -6.364
   75   2HB   SER  12          1HB       SER  12  -6.176   8.552  -5.999
   76    HG   SER  12           HG       SER  12  -7.381   8.757  -8.151
   77    H    ASN  13           H        ASN  13  -4.161   7.442  -4.783
   78    HA   ASN  13           HA       ASN  13  -1.833   7.633  -6.658
   79   1HB   ASN  13          2HB       ASN  13  -2.844   9.158  -4.281
   80   2HB   ASN  13          1HB       ASN  13  -1.104   9.134  -4.571
   81   1HD2  ASN  13          1HD2      ASN  13  -0.308  10.546  -6.164
   82   2HD2  ASN  13          2HD2      ASN  13  -1.287  11.411  -7.248
   83    H    ASP  14           H        ASP  14  -1.855   5.152  -6.118
   84    HA   ASP  14           HA       ASP  14  -1.188   4.078  -3.592
   85   1HB   ASP  14          2HB       ASP  14  -1.653   3.124  -6.069
   86   2HB   ASP  14          1HB       ASP  14   0.103   2.973  -6.046
   87    H    GLN  15           H        GLN  15   0.548   4.517  -2.311
   88    HA   GLN  15           HA       GLN  15   3.179   5.137  -3.620
   89   1HB   GLN  15          2HB       GLN  15   1.570   6.522  -1.513
   90   2HB   GLN  15          1HB       GLN  15   3.325   6.542  -1.337
   91   1HG   GLN  15          2HG       GLN  15   3.631   7.619  -3.436
   92   2HG   GLN  15          1HG       GLN  15   1.971   7.290  -3.933
   93   1HE2  GLN  15          1HE2      GLN  15   0.709   9.150  -3.818
   94   2HE2  GLN  15          2HE2      GLN  15   0.874  10.373  -2.654
   95    H    CYS  16           H        CYS  16   2.209   2.527  -2.624
   96    HA   CYS  16           HA       CYS  16   3.376   2.026   0.002
   97   1HB   CYS  16          2HB       CYS  16   2.370   0.321  -2.290
   98   2HB   CYS  16          1HB       CYS  16   2.981  -0.381  -0.793
   99    H    CYS  17           H        CYS  17   5.315   0.760   0.398
  100    HA   CYS  17           HA       CYS  17   7.548   1.408  -1.336
  101   1HB   CYS  17          2HB       CYS  17   7.251   0.914   1.278
  102   2HB   CYS  17          1HB       CYS  17   7.693  -0.715   0.765
  103    H    LYS  18           H        LYS  18   8.299   0.241  -3.050
  104    HA   LYS  18           HA       LYS  18   6.987  -2.192  -3.932
  105   1HB   LYS  18          2HB       LYS  18   9.251  -0.429  -4.799
  106   2HB   LYS  18          1HB       LYS  18   9.094  -2.020  -5.544
  107   1HG   LYS  18          2HG       LYS  18   6.520  -1.201  -5.690
  108   2HG   LYS  18          1HG       LYS  18   7.331   0.362  -5.778
  109   1HD   LYS  18          2HD       LYS  18   7.275  -0.257  -8.026
  110   2HD   LYS  18          1HD       LYS  18   8.864  -0.850  -7.538
  111   1HE   LYS  18          2HE       LYS  18   8.062  -3.104  -7.329
  112   2HE   LYS  18          1HE       LYS  18   6.372  -2.582  -7.468
  113   1HZ   LYS  18          1HZ       LYS  18   6.817  -1.760  -9.680
  114   2HZ   LYS  18          2HZ       LYS  18   7.254  -3.399  -9.593
  115   3HZ   LYS  18          3HZ       LYS  18   8.452  -2.196  -9.558
  116    H    SER  19           H        SER  19   9.895  -1.527  -2.056
  117    HA   SER  19           HA       SER  19  11.355  -3.934  -2.426
  118   1HB   SER  19          2HB       SER  19  10.982  -2.060  -0.074
  119   2HB   SER  19          1HB       SER  19  12.168  -3.362  -0.075
  120    HG   SER  19           HG       SER  19  12.193  -0.945  -1.358
  121    H    SER  20           H        SER  20   8.695  -3.187  -0.156
  122    HA   SER  20           HA       SER  20   8.683  -5.972   0.863
  123   1HB   SER  20          2HB       SER  20   8.439  -3.920   2.297
  124   2HB   SER  20          1HB       SER  20   6.907  -3.593   1.491
  125    HG   SER  20           HG       SER  20   6.536  -4.759   3.380
  126    H    ASN  21           H        ASN  21   7.375  -4.419  -1.819
  127    HA   ASN  21           HA       ASN  21   5.613  -4.918  -3.292
  128   1HB   ASN  21          2HB       ASN  21   6.879  -7.220  -2.494
  129   2HB   ASN  21          1HB       ASN  21   5.201  -7.593  -2.101
  130   1HD2  ASN  21          1HD2      ASN  21   7.477  -7.377  -4.686
  131   2HD2  ASN  21          2HD2      ASN  21   6.375  -7.567  -5.962
  132    H    LEU  22           H        LEU  22   4.244  -3.356  -2.058
  133    HA   LEU  22           HA       LEU  22   2.002  -4.750  -0.623
  134   1HB   LEU  22          2HB       LEU  22   3.436  -2.143  -0.043
  135   2HB   LEU  22          1HB       LEU  22   1.911  -2.588   0.722
  136    HG   LEU  22           HG       LEU  22   4.209  -4.525   0.781
  137   1HD1  LEU  22          1HD1      LEU  22   4.882  -3.486   2.967
  138   2HD1  LEU  22          2HD1      LEU  22   3.816  -2.129   2.599
  139   3HD1  LEU  22          3HD1      LEU  22   5.212  -2.459   1.573
  140   1HD2  LEU  22          1HD2      LEU  22   2.030  -5.284   1.568
  141   2HD2  LEU  22          2HD2      LEU  22   1.880  -3.873   2.614
  142   3HD2  LEU  22          3HD2      LEU  22   3.102  -5.098   2.956
  143    H    VAL  23           H        VAL  23  -0.057  -3.479  -0.714
  144    HA   VAL  23           HA       VAL  23  -0.249  -1.656  -3.082
  145    HB   VAL  23           HB       VAL  23  -2.394  -2.918  -3.622
  146   1HG1  VAL  23          1HG1      VAL  23  -1.232  -4.752  -4.741
  147   2HG1  VAL  23          2HG1      VAL  23   0.155  -4.563  -3.667
  148   3HG1  VAL  23          3HG1      VAL  23  -0.245  -3.294  -4.825
  149   1HG2  VAL  23          1HG2      VAL  23  -1.243  -5.078  -1.841
  150   2HG2  VAL  23          2HG2      VAL  23  -2.828  -5.031  -2.613
  151   3HG2  VAL  23          3HG2      VAL  23  -2.472  -3.953  -1.264
  152    H    CYS  24           H        CYS  24  -1.710   0.041  -2.792
  153    HA   CYS  24           HA       CYS  24  -2.580   0.616  -0.072
  154   1HB   CYS  24          2HB       CYS  24  -1.785   2.158  -2.043
  155   2HB   CYS  24          1HB       CYS  24  -3.479   2.097  -2.532
  156    H    SER  25           H        SER  25  -4.495   0.010   0.818
  157    HA   SER  25           HA       SER  25  -6.529  -1.398  -0.732
  158   1HB   SER  25          2HB       SER  25  -5.811  -1.813   1.668
  159   2HB   SER  25          1HB       SER  25  -6.636  -0.318   2.102
  160    HG   SER  25           HG       SER  25  -7.742  -2.596   2.044
  161    H    ARG  26           H        ARG  26  -8.689  -0.661  -1.115
  162    HA   ARG  26           HA       ARG  26  -8.948   2.281  -1.384
  163   1HB   ARG  26          2HB       ARG  26 -10.335  -0.179  -2.424
  164   2HB   ARG  26          1HB       ARG  26 -11.121   1.393  -2.561
  165   1HG   ARG  26          2HG       ARG  26  -9.653   2.138  -4.140
  166   2HG   ARG  26          1HG       ARG  26  -8.276   1.342  -3.378
  167   1HD   ARG  26          2HD       ARG  26  -8.612   0.189  -5.456
  168   2HD   ARG  26          1HD       ARG  26  -9.313  -0.874  -4.221
  169    HE   ARG  26           HE       ARG  26 -11.085   1.119  -5.549
  170   1HH1  ARG  26          2HH1      ARG  26 -11.905  -1.217  -3.707
  171   2HH1  ARG  26          1HH1      ARG  26 -12.558  -2.323  -4.870
  172   1HH2  ARG  26          1HH2      ARG  26 -11.147  -0.696  -7.599
  173   2HH2  ARG  26          2HH2      ARG  26 -12.126  -2.027  -7.081
  174    H    ALA  27           H        ALA  27  -9.611   0.126   1.074
  175    HA   ALA  27           HA       ALA  27 -12.128   1.531   1.895
  176   1HB   ALA  27          1HB       ALA  27 -10.933  -1.193   2.404
  177   2HB   ALA  27          2HB       ALA  27 -12.510  -0.800   1.717
  178   3HB   ALA  27          3HB       ALA  27 -12.213  -0.557   3.439
  179    H    HIS  28           H        HIS  28  -9.106   0.168   3.236
  180    HA   HIS  28           HA       HIS  28  -9.360   1.879   5.647
  181   1HB   HIS  28          2HB       HIS  28  -7.571  -0.386   4.749
  182   2HB   HIS  28          1HB       HIS  28  -7.242   0.521   6.225
  183    HD1  HIS  28           HD1      HIS  28  -9.236   0.519   8.047
  184    HD2  HIS  28           HD2      HIS  28  -9.556  -2.318   5.010
  185    HE1  HIS  28           HE1      HIS  28 -10.940  -1.183   8.833
  186    H    ARG  29           H        ARG  29  -7.925   2.100   2.553
  187    HA   ARG  29           HA       ARG  29  -6.323   3.556   1.629
  188   1HB   ARG  29          2HB       ARG  29  -7.202   5.013   4.143
  189   2HB   ARG  29          1HB       ARG  29  -6.203   5.755   2.896
  190   1HG   ARG  29          2HG       ARG  29  -7.917   5.744   1.320
  191   2HG   ARG  29          1HG       ARG  29  -8.765   4.409   2.101
  192   1HD   ARG  29          2HD       ARG  29  -8.469   6.986   3.618
  193   2HD   ARG  29          1HD       ARG  29  -9.701   6.877   2.344
  194    HE   ARG  29           HE       ARG  29  -9.557   4.702   4.378
  195   1HH1  ARG  29          2HH1      ARG  29 -11.822   4.707   2.513
  196   2HH1  ARG  29          1HH1      ARG  29 -13.067   5.524   3.398
  197   1HH2  ARG  29          1HH2      ARG  29 -10.872   6.926   5.700
  198   2HH2  ARG  29          2HH2      ARG  29 -12.527   6.785   5.208
  199    H    TRP  30           H        TRP  30  -4.983   1.500   2.682
  200    HA   TRP  30           HA       TRP  30  -2.570   2.760   3.858
  201   1HB   TRP  30          2HB       TRP  30  -2.568   1.401   5.808
  202   2HB   TRP  30          1HB       TRP  30  -4.236   1.948   5.661
  203    HD1  TRP  30           HD1      TRP  30  -5.663   0.101   3.878
  204    HE1  TRP  30           HE1      TRP  30  -5.834  -2.444   4.256
  205    HE3  TRP  30           HE3      TRP  30  -1.607  -0.612   6.894
  206    HZ2  TRP  30           HZ2      TRP  30  -4.432  -4.507   5.653
  207    HZ3  TRP  30           HZ3      TRP  30  -1.046  -2.876   7.730
  208    HH2  TRP  30           HH2      TRP  30  -2.452  -4.823   7.114
  209    H    CYS  31           H        CYS  31  -0.717   1.190   3.845
  210    HA   CYS  31           HA       CYS  31  -0.698  -0.346   1.348
  211   1HB   CYS  31          2HB       CYS  31   1.276   0.361   3.522
  212   2HB   CYS  31          1HB       CYS  31   1.711  -0.754   2.226
  213    H    LYS  32           H        LYS  32  -1.440  -2.408   1.299
  214    HA   LYS  32           HA       LYS  32  -0.971  -4.162   3.687
  215   1HB   LYS  32          2HB       LYS  32  -3.168  -5.166   3.181
  216   2HB   LYS  32          1HB       LYS  32  -3.329  -3.432   3.437
  217   1HG   LYS  32          2HG       LYS  32  -4.045  -3.082   1.323
  218   2HG   LYS  32          1HG       LYS  32  -2.767  -4.088   0.644
  219   1HD   LYS  32          2HD       LYS  32  -4.824  -5.181   0.101
  220   2HD   LYS  32          1HD       LYS  32  -4.114  -6.108   1.424
  221   1HE   LYS  32          2HE       LYS  32  -5.678  -5.334   2.984
  222   2HE   LYS  32          1HE       LYS  32  -6.021  -3.863   2.054
  223   1HZ   LYS  32          1HZ       LYS  32  -6.660  -6.625   1.153
  224   2HZ   LYS  32          2HZ       LYS  32  -7.047  -5.183   0.340
  225   3HZ   LYS  32          3HZ       LYS  32  -7.785  -5.549   1.826
  226    H    TYR  33           H        TYR  33  -0.966  -6.530   3.058
  227    HA   TYR  33           HA       TYR  33   0.622  -6.900   0.587
  228   1HB   TYR  33          2HB       TYR  33   0.899  -7.846   3.071
  229   2HB   TYR  33          1HB       TYR  33  -0.156  -9.115   2.447
  230    HD1  TYR  33           HD1      TYR  33   3.115  -7.443   2.072
  231    HD2  TYR  33           HD2      TYR  33   0.594 -10.648   0.722
  232    HE1  TYR  33           HE1      TYR  33   5.047  -8.473   0.909
  233    HE2  TYR  33           HE2      TYR  33   2.527 -11.678  -0.441
  234    HH   TYR  33           HH       TYR  33   5.063 -10.302  -1.353
  235    H    GLU  34           H        GLU  34  -0.281  -7.673  -1.278
  236    HA   GLU  34           HA       GLU  34  -3.109  -8.336  -1.440
  237   1HB   GLU  34          2HB       GLU  34  -1.414  -7.279  -3.148
  238   2HB   GLU  34          1HB       GLU  34  -1.045  -8.958  -3.544
  239   1HG   GLU  34          2HG       GLU  34  -2.980  -9.210  -4.680
  240   2HG   GLU  34          1HG       GLU  34  -3.920  -8.491  -3.372
  241    H    ILE  35           H        ILE  35  -3.632 -10.217  -0.327
  242    HA   ILE  35           HA       ILE  35  -3.730 -12.497   0.229
  243    HB   ILE  35           HB       ILE  35  -2.606 -12.712  -2.589
  244   1HG1  ILE  35          2HG1      ILE  35  -5.445 -13.158  -2.375
  245   2HG1  ILE  35          1HG1      ILE  35  -5.057 -11.594  -1.659
  246   1HG2  ILE  35          1HG2      ILE  35  -2.523 -14.894  -1.762
  247   2HG2  ILE  35          2HG2      ILE  35  -4.160 -14.838  -2.415
  248   3HG2  ILE  35          3HG2      ILE  35  -3.896 -14.644  -0.684
  249   1HD1  ILE  35          1HD1      ILE  35  -3.940 -10.870  -3.679
  250   2HD1  ILE  35          2HD1      ILE  35  -5.519 -11.508  -4.141
  251   3HD1  ILE  35          3HD1      ILE  35  -4.068 -12.481  -4.383
  252   1HN   NH2  36          1HN       NH2  36  -0.955 -13.767   1.612
  253   2HN   NH2  36          2HN       NH2  36  -2.714 -13.560   1.471
  Start of MODEL   12
    1   1H    GLU   1          1H        GLU   1  10.880   8.105  -3.806
    2   2H    GLU   1          2H        GLU   1  11.424   9.416  -2.873
    3   3H    GLU   1          3H        GLU   1   9.767   9.234  -3.203
    4    HA   GLU   1           HA       GLU   1  11.421   7.404  -1.531
    5   1HB   GLU   1          2HB       GLU   1  10.834   9.758  -0.726
    6   2HB   GLU   1          1HB       GLU   1   9.144   9.258  -0.782
    7   1HG   GLU   1          2HG       GLU   1   9.478   7.577   0.871
    8   2HG   GLU   1          1HG       GLU   1  11.233   7.682   0.731
    9    H    CYS   2           H        CYS   2  10.456   5.428  -1.150
   10    HA   CYS   2           HA       CYS   2   7.860   4.860  -2.485
   11   1HB   CYS   2          2HB       CYS   2   9.723   3.385  -2.952
   12   2HB   CYS   2          1HB       CYS   2  10.045   3.169  -1.232
   13    H    LEU   3           H        LEU   3   6.097   3.906  -1.329
   14    HA   LEU   3           HA       LEU   3   5.926   4.689   1.521
   15   1HB   LEU   3          2HB       LEU   3   3.948   3.515  -0.466
   16   2HB   LEU   3          1HB       LEU   3   3.527   4.088   1.148
   17    HG   LEU   3           HG       LEU   3   4.950   5.888  -0.812
   18   1HD1  LEU   3          1HD1      LEU   3   1.945   5.655  -0.486
   19   2HD1  LEU   3          2HD1      LEU   3   2.839   4.969  -1.843
   20   3HD1  LEU   3          3HD1      LEU   3   2.816   6.716  -1.594
   21   1HD2  LEU   3          1HD2      LEU   3   4.918   6.707   1.444
   22   2HD2  LEU   3          2HD2      LEU   3   3.223   6.264   1.649
   23   3HD2  LEU   3          3HD2      LEU   3   3.664   7.596   0.580
   24    H    GLY   4           H        GLY   4   6.632   3.203   3.019
   25   1HA   GLY   4          2HA       GLY   4   6.658   0.327   2.363
   26   2HA   GLY   4          1HA       GLY   4   7.331   1.063   3.817
   27    H    PHE   5           H        PHE   5   6.104  -0.916   4.724
   28    HA   PHE   5           HA       PHE   5   3.221  -0.936   4.827
   29   1HB   PHE   5          2HB       PHE   5   4.633  -2.890   5.267
   30   2HB   PHE   5          1HB       PHE   5   5.372  -2.078   6.645
   31    HD1  PHE   5           HD1      PHE   5   4.400  -2.225   8.788
   32    HD2  PHE   5           HD2      PHE   5   2.076  -3.266   5.328
   33    HE1  PHE   5           HE1      PHE   5   2.584  -3.057  10.257
   34    HE2  PHE   5           HE2      PHE   5   0.262  -4.099   6.797
   35    HZ   PHE   5           HZ       PHE   5   0.516  -3.995   9.262
   36    H    GLY   6           H        GLY   6   1.830   0.141   6.217
   37   1HA   GLY   6          2HA       GLY   6   1.290   1.188   8.355
   38   2HA   GLY   6          1HA       GLY   6   2.991   1.617   8.535
   39    H    LYS   7           H        LYS   7   3.477   2.724   5.985
   40    HA   LYS   7           HA       LYS   7   2.532   5.412   6.305
   41   1HB   LYS   7          2HB       LYS   7   4.295   3.860   4.625
   42   2HB   LYS   7          1HB       LYS   7   3.341   4.949   3.618
   43   1HG   LYS   7          2HG       LYS   7   4.758   6.597   4.214
   44   2HG   LYS   7          1HG       LYS   7   4.082   6.496   5.839
   45   1HD   LYS   7          2HD       LYS   7   6.255   4.598   4.971
   46   2HD   LYS   7          1HD       LYS   7   6.658   6.215   5.548
   47   1HE   LYS   7          2HE       LYS   7   4.765   4.559   7.190
   48   2HE   LYS   7          1HE       LYS   7   6.500   4.198   7.269
   49   1HZ   LYS   7          1HZ       LYS   7   5.913   5.906   8.878
   50   2HZ   LYS   7          2HZ       LYS   7   5.263   6.879   7.646
   51   3HZ   LYS   7          3HZ       LYS   7   6.930   6.549   7.684
   52    H    GLY   8           H        GLY   8   1.139   6.612   4.775
   53   1HA   GLY   8          2HA       GLY   8  -1.331   5.218   4.193
   54   2HA   GLY   8          1HA       GLY   8  -0.967   6.888   3.760
   55    H    CYS   9           H        CYS   9  -2.321   5.369   1.920
   56    HA   CYS   9           HA       CYS   9  -0.291   5.080  -0.253
   57   1HB   CYS   9          2HB       CYS   9  -1.239   2.909  -0.853
   58   2HB   CYS   9          1HB       CYS   9  -0.765   2.873   0.845
   59    H    ASN  10           H        ASN  10  -1.701   4.527  -2.380
   60    HA   ASN  10           HA       ASN  10  -4.122   6.297  -2.390
   61   1HB   ASN  10          2HB       ASN  10  -1.584   6.341  -3.938
   62   2HB   ASN  10          1HB       ASN  10  -3.054   6.634  -4.868
   63   1HD2  ASN  10          1HD2      ASN  10  -4.018   8.695  -4.679
   64   2HD2  ASN  10          2HD2      ASN  10  -3.509   9.881  -3.576
   65    HA   PRO  11           HA       PRO  11  -5.778   2.551  -4.178
   66   1HB   PRO  11          2HB       PRO  11  -8.279   3.540  -4.726
   67   2HB   PRO  11          1HB       PRO  11  -7.764   3.050  -3.100
   68   1HG   PRO  11          2HG       PRO  11  -7.935   5.776  -4.286
   69   2HG   PRO  11          1HG       PRO  11  -8.351   5.228  -2.655
   70   1HD   PRO  11          2HD       PRO  11  -6.041   6.534  -3.235
   71   2HD   PRO  11          1HD       PRO  11  -6.184   5.351  -1.916
   72    H    SER  12           H        SER  12  -6.253   5.742  -5.730
   73    HA   SER  12           HA       SER  12  -6.644   4.630  -8.404
   74   1HB   SER  12          2HB       SER  12  -6.530   7.043  -9.017
   75   2HB   SER  12          1HB       SER  12  -7.613   6.768  -7.656
   76    HG   SER  12           HG       SER  12  -6.334   7.921  -6.454
   77    H    ASN  13           H        ASN  13  -3.924   5.983  -6.558
   78    HA   ASN  13           HA       ASN  13  -2.079   5.170  -8.783
   79   1HB   ASN  13          2HB       ASN  13  -2.528   7.682  -8.230
   80   2HB   ASN  13          1HB       ASN  13  -1.556   7.381  -6.790
   81   1HD2  ASN  13          1HD2      ASN  13  -1.278   8.492  -9.919
   82   2HD2  ASN  13          2HD2      ASN  13   0.345   8.093 -10.213
   83    H    ASP  14           H        ASP  14  -2.185   3.067  -7.438
   84    HA   ASP  14           HA       ASP  14  -1.192   2.864  -4.774
   85   1HB   ASP  14          2HB       ASP  14  -2.327   1.175  -6.453
   86   2HB   ASP  14          1HB       ASP  14  -0.663   0.785  -6.885
   87    H    GLN  15           H        GLN  15   0.816   3.418  -4.044
   88    HA   GLN  15           HA       GLN  15   3.174   2.962  -5.841
   89   1HB   GLN  15          2HB       GLN  15   2.020   5.409  -5.003
   90   2HB   GLN  15          1HB       GLN  15   3.500   5.226  -4.063
   91   1HG   GLN  15          2HG       GLN  15   4.217   4.424  -6.647
   92   2HG   GLN  15          1HG       GLN  15   3.182   5.831  -6.893
   93   1HE2  GLN  15          1HE2      GLN  15   3.837   7.876  -5.776
   94   2HE2  GLN  15          2HE2      GLN  15   5.459   8.108  -5.335
   95    H    CYS  16           H        CYS  16   2.218   1.208  -3.731
   96    HA   CYS  16           HA       CYS  16   3.805   1.693  -1.314
   97   1HB   CYS  16          2HB       CYS  16   1.546   0.433  -1.663
   98   2HB   CYS  16          1HB       CYS  16   2.558  -0.921  -2.166
   99    H    CYS  17           H        CYS  17   5.500   0.131  -0.606
  100    HA   CYS  17           HA       CYS  17   7.491  -0.328  -2.663
  101   1HB   CYS  17          2HB       CYS  17   7.157  -0.618   0.268
  102   2HB   CYS  17          1HB       CYS  17   8.342  -1.702  -0.460
  103    H    LYS  18           H        LYS  18   8.031  -2.234  -3.703
  104    HA   LYS  18           HA       LYS  18   6.096  -4.469  -3.542
  105   1HB   LYS  18          2HB       LYS  18   8.178  -3.424  -5.392
  106   2HB   LYS  18          1HB       LYS  18   7.907  -5.165  -5.437
  107   1HG   LYS  18          2HG       LYS  18   5.334  -4.244  -5.400
  108   2HG   LYS  18          1HG       LYS  18   6.139  -2.961  -6.305
  109   1HD   LYS  18          2HD       LYS  18   7.091  -5.545  -7.190
  110   2HD   LYS  18          1HD       LYS  18   5.331  -5.482  -7.284
  111   1HE   LYS  18          2HE       LYS  18   5.428  -3.433  -8.618
  112   2HE   LYS  18          1HE       LYS  18   7.194  -3.378  -8.447
  113   1HZ   LYS  18          1HZ       LYS  18   6.538  -4.459 -10.525
  114   2HZ   LYS  18          2HZ       LYS  18   5.651  -5.617  -9.654
  115   3HZ   LYS  18          3HZ       LYS  18   7.342  -5.544  -9.498
  116    H    SER  19           H        SER  19   8.617  -3.780  -1.607
  117    HA   SER  19           HA       SER  19  10.314  -6.103  -1.760
  118   1HB   SER  19          2HB       SER  19  11.411  -4.855  -0.223
  119   2HB   SER  19          1HB       SER  19  10.100  -3.686  -0.314
  120    HG   SER  19           HG       SER  19  10.182  -4.290   1.787
  121    H    SER  20           H        SER  20   7.351  -5.370   0.093
  122    HA   SER  20           HA       SER  20   7.258  -8.245   0.956
  123   1HB   SER  20          2HB       SER  20   7.446  -6.143   2.565
  124   2HB   SER  20          1HB       SER  20   5.714  -6.031   2.269
  125    HG   SER  20           HG       SER  20   7.185  -7.923   3.658
  126    H    ASN  21           H        ASN  21   6.068  -6.501  -1.469
  127    HA   ASN  21           HA       ASN  21   4.094  -6.515  -2.746
  128   1HB   ASN  21          2HB       ASN  21   4.789  -9.050  -2.007
  129   2HB   ASN  21          1HB       ASN  21   3.141  -8.970  -1.379
  130   1HD2  ASN  21          1HD2      ASN  21   1.424  -8.253  -3.007
  131   2HD2  ASN  21          2HD2      ASN  21   1.656  -8.647  -4.641
  132    H    LEU  22           H        LEU  22   3.491  -4.625  -1.225
  133    HA   LEU  22           HA       LEU  22   1.206  -5.317   0.582
  134   1HB   LEU  22          2HB       LEU  22   3.056  -2.934   0.297
  135   2HB   LEU  22          1HB       LEU  22   1.663  -2.939   1.378
  136    HG   LEU  22           HG       LEU  22   3.581  -5.230   1.547
  137   1HD1  LEU  22          1HD1      LEU  22   4.979  -3.145   1.476
  138   2HD1  LEU  22          2HD1      LEU  22   5.064  -3.989   3.022
  139   3HD1  LEU  22          3HD1      LEU  22   4.072  -2.540   2.862
  140   1HD2  LEU  22          1HD2      LEU  22   2.968  -4.916   3.991
  141   2HD2  LEU  22          2HD2      LEU  22   1.612  -5.310   2.936
  142   3HD2  LEU  22          3HD2      LEU  22   1.856  -3.648   3.475
  143    H    VAL  23           H        VAL  23  -0.819  -4.306   0.273
  144    HA   VAL  23           HA       VAL  23  -1.181  -2.903  -2.357
  145    HB   VAL  23           HB       VAL  23  -3.493  -3.801  -2.222
  146   1HG1  VAL  23          1HG1      VAL  23  -1.520  -6.027  -1.677
  147   2HG1  VAL  23          2HG1      VAL  23  -1.532  -5.120  -3.188
  148   3HG1  VAL  23          3HG1      VAL  23  -2.942  -6.068  -2.718
  149   1HG2  VAL  23          1HG2      VAL  23  -4.207  -5.224  -0.439
  150   2HG2  VAL  23          2HG2      VAL  23  -3.481  -3.821   0.343
  151   3HG2  VAL  23          3HG2      VAL  23  -2.578  -5.332   0.227
  152    H    CYS  24           H        CYS  24  -3.049  -1.285  -2.332
  153    HA   CYS  24           HA       CYS  24  -2.787   0.451   0.050
  154   1HB   CYS  24          2HB       CYS  24  -2.547   1.298  -2.271
  155   2HB   CYS  24          1HB       CYS  24  -4.207   0.808  -2.610
  156    H    SER  25           H        SER  25  -4.339   0.544   1.622
  157    HA   SER  25           HA       SER  25  -6.773  -1.081   1.416
  158   1HB   SER  25          2HB       SER  25  -5.200  -0.611   3.437
  159   2HB   SER  25          1HB       SER  25  -6.080   0.909   3.578
  160    HG   SER  25           HG       SER  25  -7.786  -0.145   4.253
  161    H    ARG  26           H        ARG  26  -8.925  -0.043   2.038
  162    HA   ARG  26           HA       ARG  26  -9.245   2.566   0.598
  163   1HB   ARG  26          2HB       ARG  26 -10.356   0.390  -0.168
  164   2HB   ARG  26          1HB       ARG  26 -11.352   0.502   1.284
  165   1HG   ARG  26          2HG       ARG  26 -11.760   2.976   0.409
  166   2HG   ARG  26          1HG       ARG  26 -11.334   2.257  -1.144
  167   1HD   ARG  26          2HD       ARG  26 -13.685   1.964  -1.034
  168   2HD   ARG  26          1HD       ARG  26 -13.064   0.398  -0.477
  169    HE   ARG  26           HE       ARG  26 -13.263   2.163   1.769
  170   1HH1  ARG  26          1HH2      ARG  26 -15.884   2.807   0.544
  171   2HH1  ARG  26          2HH2      ARG  26 -16.915   1.563   1.167
  172   1HH2  ARG  26          2HH1      ARG  26 -14.287  -0.493   2.139
  173   2HH2  ARG  26          1HH1      ARG  26 -16.007  -0.312   2.073
  174    H    ALA  27           H        ALA  27 -10.154   0.811   3.574
  175    HA   ALA  27           HA       ALA  27 -11.752   2.975   4.671
  176   1HB   ALA  27          1HB       ALA  27 -12.009   0.580   5.250
  177   2HB   ALA  27          2HB       ALA  27 -11.686   1.549   6.688
  178   3HB   ALA  27          3HB       ALA  27 -10.397   0.588   5.966
  179    H    HIS  28           H        HIS  28  -8.464   1.760   5.384
  180    HA   HIS  28           HA       HIS  28  -7.912   4.201   7.000
  181   1HB   HIS  28          2HB       HIS  28  -6.825   1.435   6.713
  182   2HB   HIS  28          1HB       HIS  28  -5.701   2.689   7.234
  183    HD1  HIS  28           HD1      HIS  28  -7.309   0.249   8.896
  184    HD2  HIS  28           HD2      HIS  28  -7.720   4.384   9.229
  185    HE1  HIS  28           HE1      HIS  28  -8.283   0.691  11.192
  186    H    ARG  29           H        ARG  29  -7.390   3.011   3.809
  187    HA   ARG  29           HA       ARG  29  -6.031   3.746   2.031
  188   1HB   ARG  29          2HB       ARG  29  -6.519   6.127   3.806
  189   2HB   ARG  29          1HB       ARG  29  -5.477   6.302   2.394
  190   1HG   ARG  29          2HG       ARG  29  -7.462   5.066   1.160
  191   2HG   ARG  29          1HG       ARG  29  -8.407   5.677   2.518
  192   1HD   ARG  29          2HD       ARG  29  -6.584   7.664   1.277
  193   2HD   ARG  29          1HD       ARG  29  -7.941   7.135   0.262
  194    HE   ARG  29           HE       ARG  29  -9.461   7.755   2.141
  195   1HH1  ARG  29          2HH1      ARG  29  -7.989  10.252   1.219
  196   2HH1  ARG  29          1HH1      ARG  29  -7.510  10.944   2.733
  197   1HH2  ARG  29          1HH2      ARG  29  -8.072   8.033   4.545
  198   2HH2  ARG  29          2HH2      ARG  29  -7.557   9.686   4.619
  199    H    TRP  30           H        TRP  30  -4.437   2.168   3.325
  200    HA   TRP  30           HA       TRP  30  -1.845   3.597   3.500
  201   1HB   TRP  30          2HB       TRP  30  -1.389   2.817   5.731
  202   2HB   TRP  30          1HB       TRP  30  -2.995   3.539   5.773
  203    HD1  TRP  30           HD1      TRP  30  -4.974   1.505   5.065
  204    HE1  TRP  30           HE1      TRP  30  -5.222  -0.781   6.234
  205    HE3  TRP  30           HE3      TRP  30  -0.330   1.073   7.117
  206    HZ2  TRP  30           HZ2      TRP  30  -3.647  -2.557   7.836
  207    HZ3  TRP  30           HZ3      TRP  30   0.274  -0.919   8.460
  208    HH2  TRP  30           HH2      TRP  30  -1.376  -2.733   8.823
  209    H    CYS  31           H        CYS  31  -0.060   1.823   3.934
  210    HA   CYS  31           HA       CYS  31  -0.408  -0.251   1.887
  211   1HB   CYS  31          2HB       CYS  31   1.778   0.884   3.592
  212   2HB   CYS  31          1HB       CYS  31   2.034  -0.704   2.868
  213    H    LYS  32           H        LYS  32  -1.313  -2.195   2.380
  214    HA   LYS  32           HA       LYS  32  -0.757  -3.409   5.068
  215   1HB   LYS  32          2HB       LYS  32  -3.132  -4.189   5.013
  216   2HB   LYS  32          1HB       LYS  32  -3.007  -2.431   5.007
  217   1HG   LYS  32          2HG       LYS  32  -3.555  -2.275   2.719
  218   2HG   LYS  32          1HG       LYS  32  -3.180  -3.973   2.420
  219   1HD   LYS  32          2HD       LYS  32  -5.117  -4.654   3.774
  220   2HD   LYS  32          1HD       LYS  32  -5.487  -2.961   4.108
  221   1HE   LYS  32          2HE       LYS  32  -5.571  -2.673   1.527
  222   2HE   LYS  32          1HE       LYS  32  -5.697  -4.442   1.482
  223   1HZ   LYS  32          1HZ       LYS  32  -7.429  -2.631   3.084
  224   2HZ   LYS  32          2HZ       LYS  32  -7.543  -4.325   3.033
  225   3HZ   LYS  32          3HZ       LYS  32  -7.888  -3.405   1.648
  226    H    TYR  33           H        TYR  33  -0.994  -5.821   5.037
  227    HA   TYR  33           HA       TYR  33  -0.358  -6.949   2.326
  228   1HB   TYR  33          2HB       TYR  33   1.486  -7.014   3.939
  229   2HB   TYR  33          1HB       TYR  33   0.447  -7.798   5.129
  230    HD1  TYR  33           HD1      TYR  33   0.060 -10.151   5.079
  231    HD2  TYR  33           HD2      TYR  33   2.019  -8.223   1.777
  232    HE1  TYR  33           HE1      TYR  33   0.624 -12.367   4.121
  233    HE2  TYR  33           HE2      TYR  33   2.584 -10.440   0.820
  234    HH   TYR  33           HH       TYR  33   2.769 -13.082   2.290
  235    H    GLU  34           H        GLU  34  -1.324  -8.953   1.750
  236    HA   GLU  34           HA       GLU  34  -3.545  -9.919   3.522
  237   1HB   GLU  34          2HB       GLU  34  -3.882  -8.489   1.236
  238   2HB   GLU  34          1HB       GLU  34  -3.810 -10.118   0.563
  239   1HG   GLU  34          2HG       GLU  34  -5.599  -9.398   2.896
  240   2HG   GLU  34          1HG       GLU  34  -6.137  -9.295   1.220
  241    H    ILE  35           H        ILE  35  -3.285 -12.069   3.986
  242    HA   ILE  35           HA       ILE  35  -1.184 -13.658   2.761
  243    HB   ILE  35           HB       ILE  35  -2.003 -13.764   5.138
  244   1HG1  ILE  35          2HG1      ILE  35  -2.404 -16.489   3.950
  245   2HG1  ILE  35          1HG1      ILE  35  -0.851 -15.686   3.716
  246   1HG2  ILE  35          1HG2      ILE  35  -4.466 -13.677   4.399
  247   2HG2  ILE  35          2HG2      ILE  35  -4.068 -14.812   5.688
  248   3HG2  ILE  35          3HG2      ILE  35  -4.301 -15.395   4.041
  249   1HD1  ILE  35          1HD1      ILE  35  -0.276 -15.867   5.919
  250   2HD1  ILE  35          2HD1      ILE  35  -1.442 -17.191   5.900
  251   3HD1  ILE  35          3HD1      ILE  35  -1.928 -15.596   6.476
  252   1HN   NH2  36          1HN       NH2  36  -4.276 -13.833   0.412
  253   2HN   NH2  36          2HN       NH2  36  -3.565 -12.526   1.383
  Start of MODEL   13
    1   1H    GLU   1          1H        GLU   1  10.696   9.075  -0.907
    2   2H    GLU   1          2H        GLU   1  11.342   7.518  -1.120
    3   3H    GLU   1          3H        GLU   1  12.180   8.666  -0.192
    4    HA   GLU   1           HA       GLU   1  11.108   7.094   1.281
    5   1HB   GLU   1          2HB       GLU   1  11.285   9.666   1.609
    6   2HB   GLU   1          1HB       GLU   1   9.549   9.683   1.300
    7   1HG   GLU   1          2HG       GLU   1  10.332   7.604   3.209
    8   2HG   GLU   1          1HG       GLU   1  10.746   9.227   3.763
    9    H    CYS   2           H        CYS   2   9.407   5.680   1.552
   10    HA   CYS   2           HA       CYS   2   6.844   6.238   0.099
   11   1HB   CYS   2          2HB       CYS   2   6.855   3.789  -0.490
   12   2HB   CYS   2          1HB       CYS   2   8.167   4.696  -1.238
   13    H    LEU   3           H        LEU   3   5.089   4.647   0.917
   14    HA   LEU   3           HA       LEU   3   5.116   4.703   3.880
   15   1HB   LEU   3          2HB       LEU   3   3.014   4.030   1.793
   16   2HB   LEU   3          1HB       LEU   3   2.702   4.132   3.525
   17    HG   LEU   3           HG       LEU   3   4.054   6.464   2.240
   18   1HD1  LEU   3          1HD1      LEU   3   1.860   7.389   1.545
   19   2HD1  LEU   3          2HD1      LEU   3   1.096   5.852   1.950
   20   3HD1  LEU   3          3HD1      LEU   3   2.269   5.934   0.636
   21   1HD2  LEU   3          1HD2      LEU   3   2.098   7.430   3.844
   22   2HD2  LEU   3          2HD2      LEU   3   3.681   6.950   4.457
   23   3HD2  LEU   3          3HD2      LEU   3   2.315   5.841   4.577
   24    H    GLY   4           H        GLY   4   5.671   2.887   5.031
   25   1HA   GLY   4          2HA       GLY   4   6.056   0.324   3.671
   26   2HA   GLY   4          1HA       GLY   4   6.353   0.645   5.379
   27    H    PHE   5           H        PHE   5   5.238  -1.437   5.769
   28    HA   PHE   5           HA       PHE   5   2.423  -1.769   5.101
   29   1HB   PHE   5          2HB       PHE   5   3.926  -3.663   5.423
   30   2HB   PHE   5          1HB       PHE   5   4.308  -3.128   7.058
   31    HD1  PHE   5           HD1      PHE   5   1.244  -3.852   4.989
   32    HD2  PHE   5           HD2      PHE   5   3.209  -4.215   8.794
   33    HE1  PHE   5           HE1      PHE   5  -0.691  -5.130   5.868
   34    HE2  PHE   5           HE2      PHE   5   1.271  -5.492   9.671
   35    HZ   PHE   5           HZ       PHE   5  -0.677  -5.949   8.206
   36    H    GLY   6           H        GLY   6   0.630  -1.287   6.378
   37   1HA   GLY   6          2HA       GLY   6  -0.591  -0.586   8.282
   38   2HA   GLY   6          1HA       GLY   6   0.917  -0.545   9.197
   39    H    LYS   7           H        LYS   7   0.046   1.126   6.162
   40    HA   LYS   7           HA       LYS   7   0.168   3.747   7.578
   41   1HB   LYS   7          2HB       LYS   7   2.155   2.550   5.762
   42   2HB   LYS   7          1HB       LYS   7   1.662   4.178   5.294
   43   1HG   LYS   7          2HG       LYS   7   2.174   5.004   7.550
   44   2HG   LYS   7          1HG       LYS   7   2.628   3.376   8.055
   45   1HD   LYS   7          2HD       LYS   7   4.568   3.369   6.754
   46   2HD   LYS   7          1HD       LYS   7   3.963   4.618   5.665
   47   1HE   LYS   7          2HE       LYS   7   5.313   6.001   6.903
   48   2HE   LYS   7          1HE       LYS   7   3.979   5.957   8.073
   49   1HZ   LYS   7          1HZ       LYS   7   6.058   5.282   9.117
   50   2HZ   LYS   7          2HZ       LYS   7   6.257   4.045   7.969
   51   3HZ   LYS   7          3HZ       LYS   7   4.967   3.985   9.073
   52    H    GLY   8           H        GLY   8  -1.355   5.142   6.738
   53   1HA   GLY   8          2HA       GLY   8  -3.302   4.306   4.863
   54   2HA   GLY   8          1HA       GLY   8  -3.040   5.981   5.338
   55    H    CYS   9           H        CYS   9  -3.425   4.387   2.664
   56    HA   CYS   9           HA       CYS   9  -1.434   5.999   1.129
   57   1HB   CYS   9          2HB       CYS   9  -0.561   3.696   1.514
   58   2HB   CYS   9          1HB       CYS   9  -2.015   3.039   0.763
   59    H    ASN  10           H        ASN  10  -2.146   6.418  -1.080
   60    HA   ASN  10           HA       ASN  10  -5.102   6.290  -1.400
   61   1HB   ASN  10          2HB       ASN  10  -2.847   7.792  -2.759
   62   2HB   ASN  10          1HB       ASN  10  -4.525   7.901  -3.290
   63   1HD2  ASN  10          1HD2      ASN  10  -2.237   9.213  -1.099
   64   2HD2  ASN  10          2HD2      ASN  10  -3.325  10.074  -0.120
   65    HA   PRO  11           HA       PRO  11  -4.702   2.999  -4.356
   66   1HB   PRO  11          2HB       PRO  11  -7.175   3.213  -5.511
   67   2HB   PRO  11          1HB       PRO  11  -6.913   2.496  -3.908
   68   1HG   PRO  11          2HG       PRO  11  -7.868   5.223  -4.627
   69   2HG   PRO  11          1HG       PRO  11  -8.399   4.149  -3.323
   70   1HD   PRO  11          2HD       PRO  11  -6.727   6.263  -2.937
   71   2HD   PRO  11          1HD       PRO  11  -6.711   4.805  -1.919
   72    H    SER  12           H        SER  12  -5.860   6.221  -5.378
   73    HA   SER  12           HA       SER  12  -5.498   5.880  -8.209
   74   1HB   SER  12          2HB       SER  12  -5.536   8.238  -6.313
   75   2HB   SER  12          1HB       SER  12  -5.377   8.449  -8.055
   76    HG   SER  12           HG       SER  12  -7.571   8.497  -7.250
   77    H    ASN  13           H        ASN  13  -3.324   7.141  -5.657
   78    HA   ASN  13           HA       ASN  13  -1.054   6.958  -7.610
   79   1HB   ASN  13          2HB       ASN  13  -1.848   9.228  -6.638
   80   2HB   ASN  13          1HB       ASN  13  -1.154   8.667  -5.115
   81   1HD2  ASN  13          1HD2      ASN  13  -0.363   9.716  -8.404
   82   2HD2  ASN  13          2HD2      ASN  13   1.315   9.808  -8.161
   83    H    ASP  14           H        ASP  14  -1.162   4.609  -6.816
   84    HA   ASP  14           HA       ASP  14  -0.570   3.843  -4.129
   85   1HB   ASP  14          2HB       ASP  14  -0.665   2.694  -6.824
   86   2HB   ASP  14          1HB       ASP  14   0.553   1.925  -5.807
   87    H    GLN  15           H        GLN  15   1.164   4.935  -3.171
   88    HA   GLN  15           HA       GLN  15   3.835   4.688  -4.521
   89   1HB   GLN  15          2HB       GLN  15   2.557   6.964  -3.986
   90   2HB   GLN  15          1HB       GLN  15   3.226   6.696  -2.377
   91   1HG   GLN  15          2HG       GLN  15   5.346   7.152  -3.051
   92   2HG   GLN  15          1HG       GLN  15   5.153   6.267  -4.563
   93   1HE2  GLN  15          1HE2      GLN  15   4.404   9.407  -3.002
   94   2HE2  GLN  15          2HE2      GLN  15   4.262  10.272  -4.455
   95    H    CYS  16           H        CYS  16   2.718   2.579  -2.902
   96    HA   CYS  16           HA       CYS  16   3.744   2.749  -0.175
   97   1HB   CYS  16          2HB       CYS  16   1.814   1.340  -1.305
   98   2HB   CYS  16          1HB       CYS  16   3.115   0.197  -1.642
   99    H    CYS  17           H        CYS  17   5.417   1.121   0.597
  100    HA   CYS  17           HA       CYS  17   7.848   1.334  -0.994
  101   1HB   CYS  17          2HB       CYS  17   7.126  -0.152   1.555
  102   2HB   CYS  17          1HB       CYS  17   8.771   0.041   0.950
  103    H    LYS  18           H        LYS  18   8.373  -0.051  -2.633
  104    HA   LYS  18           HA       LYS  18   6.914  -2.549  -3.055
  105   1HB   LYS  18          2HB       LYS  18   7.822  -0.862  -4.770
  106   2HB   LYS  18          1HB       LYS  18   9.402  -1.591  -4.479
  107   1HG   LYS  18          2HG       LYS  18   8.891  -3.405  -5.720
  108   2HG   LYS  18          1HG       LYS  18   7.347  -3.616  -4.892
  109   1HD   LYS  18          2HD       LYS  18   7.174  -1.284  -6.553
  110   2HD   LYS  18          1HD       LYS  18   7.798  -2.619  -7.524
  111   1HE   LYS  18          2HE       LYS  18   5.733  -3.751  -5.966
  112   2HE   LYS  18          1HE       LYS  18   5.097  -2.203  -6.555
  113   1HZ   LYS  18          1HZ       LYS  18   5.853  -2.769  -8.779
  114   2HZ   LYS  18          2HZ       LYS  18   4.789  -3.959  -8.201
  115   3HZ   LYS  18          3HZ       LYS  18   6.462  -4.254  -8.223
  116    H    SER  19           H        SER  19   9.540  -1.811  -1.059
  117    HA   SER  19           HA       SER  19  11.323  -4.006  -1.486
  118   1HB   SER  19          2HB       SER  19  11.966  -3.476   0.887
  119   2HB   SER  19          1HB       SER  19  11.879  -2.051  -0.144
  120    HG   SER  19           HG       SER  19  10.712  -1.496   1.602
  121    H    SER  20           H        SER  20   8.353  -3.705   0.469
  122    HA   SER  20           HA       SER  20   8.538  -6.618   1.145
  123   1HB   SER  20          2HB       SER  20   8.350  -4.606   2.844
  124   2HB   SER  20          1HB       SER  20   6.646  -4.644   2.401
  125    HG   SER  20           HG       SER  20   6.449  -6.605   3.275
  126    H    ASN  21           H        ASN  21   7.370  -5.106  -1.369
  127    HA   ASN  21           HA       ASN  21   5.501  -5.322  -2.790
  128   1HB   ASN  21          2HB       ASN  21   5.544  -7.907  -1.207
  129   2HB   ASN  21          1HB       ASN  21   4.498  -7.661  -2.603
  130   1HD2  ASN  21          1HD2      ASN  21   7.562  -8.788  -1.710
  131   2HD2  ASN  21          2HD2      ASN  21   8.321  -8.682  -3.225
  132    H    LEU  22           H        LEU  22   4.596  -3.519  -1.223
  133    HA   LEU  22           HA       LEU  22   2.166  -4.535   0.214
  134   1HB   LEU  22          2HB       LEU  22   3.818  -2.001   0.433
  135   2HB   LEU  22          1HB       LEU  22   2.330  -2.279   1.339
  136    HG   LEU  22           HG       LEU  22   4.578  -4.287   1.429
  137   1HD1  LEU  22          1HD1      LEU  22   4.258  -1.791   3.121
  138   2HD1  LEU  22          2HD1      LEU  22   5.602  -2.164   2.043
  139   3HD1  LEU  22          3HD1      LEU  22   5.352  -3.121   3.503
  140   1HD2  LEU  22          1HD2      LEU  22   2.287  -4.824   2.318
  141   2HD2  LEU  22          2HD2      LEU  22   2.461  -3.485   3.454
  142   3HD2  LEU  22          3HD2      LEU  22   3.544  -4.874   3.553
  143    H    VAL  23           H        VAL  23   0.136  -3.727  -0.377
  144    HA   VAL  23           HA       VAL  23   0.077  -1.853  -2.725
  145    HB   VAL  23           HB       VAL  23  -2.026  -3.092  -3.325
  146   1HG1  VAL  23          1HG1      VAL  23  -0.897  -4.989  -4.254
  147   2HG1  VAL  23          2HG1      VAL  23   0.322  -4.971  -2.979
  148   3HG1  VAL  23          3HG1      VAL  23   0.291  -3.686  -4.187
  149   1HG2  VAL  23          1HG2      VAL  23  -2.858  -4.831  -2.066
  150   2HG2  VAL  23          2HG2      VAL  23  -2.091  -3.926  -0.761
  151   3HG2  VAL  23          3HG2      VAL  23  -1.265  -5.308  -1.480
  152    H    CYS  24           H        CYS  24  -1.547  -0.228  -2.709
  153    HA   CYS  24           HA       CYS  24  -2.525   0.547  -0.032
  154   1HB   CYS  24          2HB       CYS  24  -2.852   1.887  -2.737
  155   2HB   CYS  24          1HB       CYS  24  -3.022   2.648  -1.156
  156    H    SER  25           H        SER  25  -4.480  -0.219   0.648
  157    HA   SER  25           HA       SER  25  -6.438  -1.372  -1.193
  158   1HB   SER  25          2HB       SER  25  -6.045  -1.000   1.743
  159   2HB   SER  25          1HB       SER  25  -7.686  -1.303   1.184
  160    HG   SER  25           HG       SER  25  -7.065  -3.308   1.128
  161    H    ARG  26           H        ARG  26  -8.768  -0.661  -1.092
  162    HA   ARG  26           HA       ARG  26  -8.962   2.329  -1.162
  163   1HB   ARG  26          2HB       ARG  26  -9.463   0.563  -3.100
  164   2HB   ARG  26          1HB       ARG  26 -11.025   0.471  -2.288
  165   1HG   ARG  26          2HG       ARG  26 -10.683   3.166  -2.363
  166   2HG   ARG  26          1HG       ARG  26  -9.830   2.699  -3.834
  167   1HD   ARG  26          2HD       ARG  26 -12.557   1.547  -3.259
  168   2HD   ARG  26          1HD       ARG  26 -12.401   3.154  -3.996
  169    HE   ARG  26           HE       ARG  26 -10.670   1.231  -5.303
  170   1HH1  ARG  26          1HH2      ARG  26 -12.043   3.263  -6.891
  171   2HH1  ARG  26          2HH2      ARG  26 -13.318   2.383  -7.665
  172   1HH2  ARG  26          1HH1      ARG  26 -13.121  -0.324  -5.494
  173   2HH2  ARG  26          2HH1      ARG  26 -13.930   0.345  -6.871
  174    H    ALA  27           H        ALA  27 -10.285  -0.565   0.365
  175    HA   ALA  27           HA       ALA  27 -12.672   0.661   1.456
  176   1HB   ALA  27          1HB       ALA  27 -11.048  -1.747   2.338
  177   2HB   ALA  27          2HB       ALA  27 -12.321  -1.773   1.117
  178   3HB   ALA  27          3HB       ALA  27 -12.717  -1.411   2.797
  179    H    HIS  28           H        HIS  28  -9.432  -0.024   2.782
  180    HA   HIS  28           HA       HIS  28 -10.074   1.697   5.147
  181   1HB   HIS  28          2HB       HIS  28  -8.146  -0.560   4.591
  182   2HB   HIS  28          1HB       HIS  28  -7.955   0.478   6.003
  183    HD1  HIS  28           HD1      HIS  28 -10.601   0.817   7.187
  184    HD2  HIS  28           HD2      HIS  28  -9.579  -2.787   5.356
  185    HE1  HIS  28           HE1      HIS  28 -12.178  -0.933   8.118
  186    H    ARG  29           H        ARG  29  -8.485   1.865   2.169
  187    HA   ARG  29           HA       ARG  29  -6.841   3.302   1.282
  188   1HB   ARG  29          2HB       ARG  29  -8.476   4.676   3.288
  189   2HB   ARG  29          1HB       ARG  29  -6.903   5.442   3.075
  190   1HG   ARG  29          2HG       ARG  29  -8.170   6.493   1.417
  191   2HG   ARG  29          1HG       ARG  29  -7.420   5.177   0.515
  192   1HD   ARG  29          2HD       ARG  29  -9.407   4.054   0.244
  193   2HD   ARG  29          1HD       ARG  29 -10.017   4.544   1.836
  194    HE   ARG  29           HE       ARG  29 -10.245   6.108  -0.653
  195   1HH1  ARG  29          1HH1      ARG  29 -12.317   5.638   1.603
  196   2HH1  ARG  29          2HH1      ARG  29 -12.415   7.233   2.272
  197   1HH2  ARG  29          1HH2      ARG  29  -9.519   8.353   0.718
  198   2HH2  ARG  29          2HH2      ARG  29 -10.830   8.770   1.770
  199    H    TRP  30           H        TRP  30  -5.458   1.376   2.503
  200    HA   TRP  30           HA       TRP  30  -3.226   2.821   3.814
  201   1HB   TRP  30          2HB       TRP  30  -3.278   1.492   5.797
  202   2HB   TRP  30          1HB       TRP  30  -4.939   2.010   5.533
  203    HD1  TRP  30           HD1      TRP  30  -6.259   0.104   3.764
  204    HE1  TRP  30           HE1      TRP  30  -6.413  -2.437   4.190
  205    HE3  TRP  30           HE3      TRP  30  -2.331  -0.480   6.961
  206    HZ2  TRP  30           HZ2      TRP  30  -5.038  -4.451   5.695
  207    HZ3  TRP  30           HZ3      TRP  30  -1.771  -2.712   7.876
  208    HH2  TRP  30           HH2      TRP  30  -3.117  -4.698   7.249
  209    H    CYS  31           H        CYS  31  -1.352   1.203   4.198
  210    HA   CYS  31           HA       CYS  31  -1.010  -0.404   1.730
  211   1HB   CYS  31          2HB       CYS  31   0.679   0.913   3.801
  212   2HB   CYS  31          1HB       CYS  31   1.361  -0.516   3.024
  213    H    LYS  32           H        LYS  32  -1.170  -2.606   1.754
  214    HA   LYS  32           HA       LYS  32  -0.819  -4.053   4.354
  215   1HB   LYS  32          2HB       LYS  32  -2.819  -5.407   3.700
  216   2HB   LYS  32          1HB       LYS  32  -3.200  -3.703   3.936
  217   1HG   LYS  32          2HG       LYS  32  -3.694  -3.370   1.735
  218   2HG   LYS  32          1HG       LYS  32  -2.401  -4.431   1.181
  219   1HD   LYS  32          2HD       LYS  32  -4.567  -5.420   0.625
  220   2HD   LYS  32          1HD       LYS  32  -3.764  -6.401   1.852
  221   1HE   LYS  32          2HE       LYS  32  -5.197  -5.657   3.570
  222   2HE   LYS  32          1HE       LYS  32  -5.692  -4.217   2.658
  223   1HZ   LYS  32          1HZ       LYS  32  -6.732  -5.650   1.015
  224   2HZ   LYS  32          2HZ       LYS  32  -7.392  -5.945   2.551
  225   3HZ   LYS  32          3HZ       LYS  32  -6.267  -7.031   1.884
  226    H    TYR  33           H        TYR  33  -0.031  -6.231   4.116
  227    HA   TYR  33           HA       TYR  33   1.514  -6.694   1.652
  228   1HB   TYR  33          2HB       TYR  33   2.432  -7.099   3.915
  229   2HB   TYR  33          1HB       TYR  33   1.178  -8.304   4.207
  230    HD1  TYR  33           HD1      TYR  33   3.684  -7.480   1.528
  231    HD2  TYR  33           HD2      TYR  33   1.793 -10.529   3.891
  232    HE1  TYR  33           HE1      TYR  33   5.069  -9.205   0.409
  233    HE2  TYR  33           HE2      TYR  33   3.181 -12.255   2.773
  234    HH   TYR  33           HH       TYR  33   4.479 -12.149   0.152
  235    H    GLU  34           H        GLU  34   1.132  -8.344   0.167
  236    HA   GLU  34           HA       GLU  34  -1.369  -9.965   0.531
  237   1HB   GLU  34          2HB       GLU  34  -1.790  -9.582  -1.863
  238   2HB   GLU  34          1HB       GLU  34  -1.630  -8.041  -1.021
  239   1HG   GLU  34          2HG       GLU  34   0.155  -7.461  -2.272
  240   2HG   GLU  34          1HG       GLU  34   0.961  -8.993  -1.941
  241    H    ILE  35           H        ILE  35  -1.342 -11.938  -0.971
  242    HA   ILE  35           HA       ILE  35   1.391 -13.148  -0.936
  243    HB   ILE  35           HB       ILE  35  -1.417 -14.291  -1.103
  244   1HG1  ILE  35          2HG1      ILE  35   0.488 -14.885   1.118
  245   2HG1  ILE  35          1HG1      ILE  35  -0.220 -13.270   1.084
  246   1HG2  ILE  35          1HG2      ILE  35   0.046 -16.436  -0.517
  247   2HG2  ILE  35          2HG2      ILE  35   1.294 -15.535  -1.377
  248   3HG2  ILE  35          3HG2      ILE  35  -0.214 -15.948  -2.193
  249   1HD1  ILE  35          1HD1      ILE  35  -1.792 -15.862   0.990
  250   2HD1  ILE  35          2HD1      ILE  35  -2.477 -14.237   1.013
  251   3HD1  ILE  35          3HD1      ILE  35  -1.598 -14.843   2.416
  252   1HN   NH2  36          1HN       NH2  36  -0.663 -12.699  -4.479
  253   2HN   NH2  36          2HN       NH2  36  -1.056 -11.902  -2.940
  Start of MODEL   14
    1   1H    GLU   1          1H        GLU   1   7.344  10.690   2.817
    2   2H    GLU   1          2H        GLU   1   8.552  10.830   4.003
    3   3H    GLU   1          3H        GLU   1   7.123   9.973   4.338
    4    HA   GLU   1           HA       GLU   1   9.203   9.177   2.357
    5   1HB   GLU   1          2HB       GLU   1   8.602   8.627   5.225
    6   2HB   GLU   1          1HB       GLU   1   9.079   7.239   4.247
    7   1HG   GLU   1          2HG       GLU   1  11.215   7.893   4.563
    8   2HG   GLU   1          1HG       GLU   1  10.867   9.247   3.490
    9    H    CYS   2           H        CYS   2   8.757   6.665   1.987
   10    HA   CYS   2           HA       CYS   2   6.150   6.428   0.734
   11   1HB   CYS   2          2HB       CYS   2   6.997   4.187   0.154
   12   2HB   CYS   2          1HB       CYS   2   8.261   5.392  -0.080
   13    H    LEU   3           H        LEU   3   4.598   4.647   1.260
   14    HA   LEU   3           HA       LEU   3   4.171   4.452   4.189
   15   1HB   LEU   3          2HB       LEU   3   2.517   3.664   1.764
   16   2HB   LEU   3          1HB       LEU   3   1.948   3.588   3.431
   17    HG   LEU   3           HG       LEU   3   3.030   6.149   2.251
   18   1HD1  LEU   3          1HD1      LEU   3   1.081   5.188   0.911
   19   2HD1  LEU   3          2HD1      LEU   3   0.820   6.791   1.596
   20   3HD1  LEU   3          3HD1      LEU   3   0.106   5.375   2.368
   21   1HD2  LEU   3          1HD2      LEU   3   1.433   7.049   4.046
   22   2HD2  LEU   3          2HD2      LEU   3   2.871   6.214   4.634
   23   3HD2  LEU   3          3HD2      LEU   3   1.313   5.387   4.625
   24    H    GLY   4           H        GLY   4   4.839   2.652   5.284
   25   1HA   GLY   4          2HA       GLY   4   5.679   0.259   3.769
   26   2HA   GLY   4          1HA       GLY   4   5.967   0.554   5.483
   27    H    PHE   5           H        PHE   5   5.182  -1.601   5.933
   28    HA   PHE   5           HA       PHE   5   2.448  -2.394   5.261
   29   1HB   PHE   5          2HB       PHE   5   4.733  -3.686   5.867
   30   2HB   PHE   5          1HB       PHE   5   4.019  -3.645   7.476
   31    HD1  PHE   5           HD1      PHE   5   1.081  -3.783   6.656
   32    HD2  PHE   5           HD2      PHE   5   4.529  -5.998   5.357
   33    HE1  PHE   5           HE1      PHE   5  -0.371  -5.699   6.054
   34    HE2  PHE   5           HE2      PHE   5   3.073  -7.908   4.754
   35    HZ   PHE   5           HZ       PHE   5   0.624  -7.760   5.102
   36    H    GLY   6           H        GLY   6   0.648  -1.733   6.385
   37   1HA   GLY   6          2HA       GLY   6  -0.484  -1.652   8.599
   38   2HA   GLY   6          1HA       GLY   6   0.993  -0.951   9.254
   39    H    LYS   7           H        LYS   7   1.498   0.931   7.144
   40    HA   LYS   7           HA       LYS   7  -0.114   3.139   8.011
   41   1HB   LYS   7          2HB       LYS   7   1.850   2.607   5.787
   42   2HB   LYS   7          1HB       LYS   7   1.017   4.160   5.885
   43   1HG   LYS   7          2HG       LYS   7   1.786   4.299   8.300
   44   2HG   LYS   7          1HG       LYS   7   2.811   2.902   7.974
   45   1HD   LYS   7          2HD       LYS   7   3.659   4.321   5.945
   46   2HD   LYS   7          1HD       LYS   7   2.995   5.684   6.846
   47   1HE   LYS   7          2HE       LYS   7   4.381   5.092   8.801
   48   2HE   LYS   7          1HE       LYS   7   5.043   3.705   7.914
   49   1HZ   LYS   7          1HZ       LYS   7   6.472   5.667   7.704
   50   2HZ   LYS   7          2HZ       LYS   7   5.184   6.540   7.022
   51   3HZ   LYS   7          3HZ       LYS   7   5.838   5.202   6.202
   52    H    GLY   8           H        GLY   8  -1.947   4.070   7.122
   53   1HA   GLY   8          2HA       GLY   8  -3.505   2.479   5.226
   54   2HA   GLY   8          1HA       GLY   8  -4.027   3.972   6.001
   55    H    CYS   9           H        CYS   9  -4.019   3.056   3.099
   56    HA   CYS   9           HA       CYS   9  -2.877   5.575   1.988
   57   1HB   CYS   9          2HB       CYS   9  -1.848   4.163   0.150
   58   2HB   CYS   9          1HB       CYS   9  -1.115   3.929   1.735
   59    H    ASN  10           H        ASN  10  -3.478   5.504  -0.554
   60    HA   ASN  10           HA       ASN  10  -6.351   4.648  -0.734
   61   1HB   ASN  10          2HB       ASN  10  -4.808   7.089  -1.547
   62   2HB   ASN  10          1HB       ASN  10  -6.215   6.633  -2.506
   63   1HD2  ASN  10          1HD2      ASN  10  -6.276   9.035  -1.011
   64   2HD2  ASN  10          2HD2      ASN  10  -7.368   8.864   0.277
   65    HA   PRO  11           HA       PRO  11  -5.153   2.181  -4.188
   66   1HB   PRO  11          2HB       PRO  11  -7.523   2.120  -5.563
   67   2HB   PRO  11          1HB       PRO  11  -7.239   1.199  -4.072
   68   1HG   PRO  11          2HG       PRO  11  -8.669   3.785  -4.454
   69   2HG   PRO  11          1HG       PRO  11  -9.079   2.414  -3.411
   70   1HD   PRO  11          2HD       PRO  11  -7.911   4.683  -2.482
   71   2HD   PRO  11          1HD       PRO  11  -7.653   3.087  -1.741
   72    H    SER  12           H        SER  12  -7.000   5.161  -4.932
   73    HA   SER  12           HA       SER  12  -6.062   5.378  -7.671
   74   1HB   SER  12          2HB       SER  12  -7.353   7.228  -5.657
   75   2HB   SER  12          1HB       SER  12  -6.940   7.772  -7.280
   76    HG   SER  12           HG       SER  12  -8.990   7.007  -7.422
   77    H    ASN  13           H        ASN  13  -5.090   6.914  -4.587
   78    HA   ASN  13           HA       ASN  13  -2.653   8.009  -5.935
   79   1HB   ASN  13          2HB       ASN  13  -4.470   9.309  -4.488
   80   2HB   ASN  13          1HB       ASN  13  -3.522   8.684  -3.138
   81   1HD2  ASN  13          1HD2      ASN  13  -3.531  10.997  -5.779
   82   2HD2  ASN  13          2HD2      ASN  13  -2.021  11.691  -5.432
   83    H    ASP  14           H        ASP  14  -2.075   5.534  -5.785
   84    HA   ASP  14           HA       ASP  14  -1.386   4.375  -3.236
   85   1HB   ASP  14          2HB       ASP  14  -1.319   3.759  -6.056
   86   2HB   ASP  14          1HB       ASP  14   0.215   3.293  -5.322
   87    H    GLN  15           H        GLN  15   0.205   5.146  -1.923
   88    HA   GLN  15           HA       GLN  15   2.742   6.161  -3.171
   89   1HB   GLN  15          2HB       GLN  15   0.981   7.801  -2.109
   90   2HB   GLN  15          1HB       GLN  15   1.605   7.193  -0.575
   91   1HG   GLN  15          2HG       GLN  15   3.091   8.921  -0.868
   92   2HG   GLN  15          1HG       GLN  15   3.945   7.697  -1.806
   93   1HE2  GLN  15          1HE2      GLN  15   4.480   8.343  -3.900
   94   2HE2  GLN  15          2HE2      GLN  15   3.675   9.548  -4.783
   95    H    CYS  16           H        CYS  16   2.389   3.468  -2.383
   96    HA   CYS  16           HA       CYS  16   3.497   3.141   0.341
   97   1HB   CYS  16          2HB       CYS  16   2.335   1.448  -1.832
   98   2HB   CYS  16          1HB       CYS  16   3.393   0.663  -0.660
   99    H    CYS  17           H        CYS  17   5.353   1.448   0.480
  100    HA   CYS  17           HA       CYS  17   7.598   2.418  -1.183
  101   1HB   CYS  17          2HB       CYS  17   7.193   1.574   1.463
  102   2HB   CYS  17          1HB       CYS  17   8.156   0.291   0.733
  103    H    LYS  18           H        LYS  18   8.439   1.249  -2.876
  104    HA   LYS  18           HA       LYS  18   7.172  -1.288  -3.656
  105   1HB   LYS  18          2HB       LYS  18   9.389   0.419  -4.835
  106   2HB   LYS  18          1HB       LYS  18   8.680  -0.981  -5.639
  107   1HG   LYS  18          2HG       LYS  18   7.032   1.377  -4.687
  108   2HG   LYS  18          1HG       LYS  18   7.699   1.267  -6.315
  109   1HD   LYS  18          2HD       LYS  18   6.259  -0.409  -6.945
  110   2HD   LYS  18          1HD       LYS  18   6.189  -1.102  -5.325
  111   1HE   LYS  18          2HE       LYS  18   4.855   0.977  -4.635
  112   2HE   LYS  18          1HE       LYS  18   4.709   1.327  -6.369
  113   1HZ   LYS  18          1HZ       LYS  18   2.861  -0.042  -5.645
  114   2HZ   LYS  18          2HZ       LYS  18   3.927  -1.210  -5.025
  115   3HZ   LYS  18          3HZ       LYS  18   3.852  -0.927  -6.699
  116    H    SER  19           H        SER  19  10.037  -0.343  -1.915
  117    HA   SER  19           HA       SER  19  11.779  -2.533  -2.511
  118   1HB   SER  19          2HB       SER  19  12.288  -0.375  -1.298
  119   2HB   SER  19          1HB       SER  19  11.439  -1.026   0.101
  120    HG   SER  19           HG       SER  19  13.110  -2.232   0.517
  121    H    SER  20           H        SER  20   9.188  -2.175  -0.074
  122    HA   SER  20           HA       SER  20   9.640  -4.923   0.941
  123   1HB   SER  20          2HB       SER  20   9.059  -2.770   2.261
  124   2HB   SER  20          1HB       SER  20   7.419  -3.011   1.666
  125    HG   SER  20           HG       SER  20   7.230  -4.771   2.867
  126    H    ASN  21           H        ASN  21   8.152  -3.771  -1.773
  127    HA   ASN  21           HA       ASN  21   6.441  -4.559  -3.181
  128   1HB   ASN  21          2HB       ASN  21   7.321  -6.921  -1.525
  129   2HB   ASN  21          1HB       ASN  21   6.035  -7.107  -2.717
  130   1HD2  ASN  21          1HD2      ASN  21   9.473  -6.155  -2.368
  131   2HD2  ASN  21          2HD2      ASN  21   9.874  -6.428  -3.994
  132    H    LEU  22           H        LEU  22   5.286  -2.986  -1.369
  133    HA   LEU  22           HA       LEU  22   2.995  -4.544  -0.214
  134   1HB   LEU  22          2HB       LEU  22   4.357  -1.946   0.546
  135   2HB   LEU  22          1HB       LEU  22   2.824  -2.456   1.252
  136    HG   LEU  22           HG       LEU  22   5.273  -4.230   1.270
  137   1HD1  LEU  22          1HD1      LEU  22   5.644  -3.462   3.585
  138   2HD1  LEU  22          2HD1      LEU  22   4.334  -2.296   3.408
  139   3HD1  LEU  22          3HD1      LEU  22   5.801  -2.126   2.446
  140   1HD2  LEU  22          1HD2      LEU  22   2.716  -4.157   2.905
  141   2HD2  LEU  22          2HD2      LEU  22   4.042  -5.295   3.147
  142   3HD2  LEU  22          3HD2      LEU  22   3.111  -5.332   1.651
  143    H    VAL  23           H        VAL  23   1.031  -4.161  -1.142
  144    HA   VAL  23           HA       VAL  23   0.742  -1.771  -2.936
  145    HB   VAL  23           HB       VAL  23  -0.962  -3.186  -4.082
  146   1HG1  VAL  23          1HG1      VAL  23   1.437  -4.955  -3.847
  147   2HG1  VAL  23          2HG1      VAL  23   1.684  -3.296  -4.395
  148   3HG1  VAL  23          3HG1      VAL  23   0.609  -4.369  -5.291
  149   1HG2  VAL  23          1HG2      VAL  23  -0.029  -5.424  -2.261
  150   2HG2  VAL  23          2HG2      VAL  23  -1.344  -5.465  -3.434
  151   3HG2  VAL  23          3HG2      VAL  23  -1.505  -4.508  -1.962
  152    H    CYS  24           H        CYS  24  -1.325  -0.643  -2.867
  153    HA   CYS  24           HA       CYS  24  -2.493  -0.534  -0.174
  154   1HB   CYS  24          2HB       CYS  24  -1.936   1.360  -1.892
  155   2HB   CYS  24          1HB       CYS  24  -3.488   0.933  -2.611
  156    H    SER  25           H        SER  25  -4.150  -1.850   0.411
  157    HA   SER  25           HA       SER  25  -5.691  -3.386  -1.547
  158   1HB   SER  25          2HB       SER  25  -4.882  -4.049   0.804
  159   2HB   SER  25          1HB       SER  25  -6.198  -3.052   1.418
  160    HG   SER  25           HG       SER  25  -6.248  -5.479   0.054
  161    H    ARG  26           H        ARG  26  -8.007  -3.230  -1.825
  162    HA   ARG  26           HA       ARG  26  -9.074  -0.470  -1.432
  163   1HB   ARG  26          2HB       ARG  26  -9.905  -2.837  -3.140
  164   2HB   ARG  26          1HB       ARG  26 -10.743  -1.286  -3.129
  165   1HG   ARG  26          2HG       ARG  26  -8.741  -0.141  -3.905
  166   2HG   ARG  26          1HG       ARG  26  -7.803  -1.630  -3.789
  167   1HD   ARG  26          2HD       ARG  26 -10.284  -1.588  -5.497
  168   2HD   ARG  26          1HD       ARG  26  -8.767  -0.924  -6.132
  169    HE   ARG  26           HE       ARG  26  -7.765  -3.109  -5.952
  170   1HH1  ARG  26          2HH1      ARG  26 -10.653  -3.704  -6.935
  171   2HH1  ARG  26          1HH1      ARG  26 -11.035  -5.079  -5.953
  172   1HH2  ARG  26          1HH2      ARG  26  -8.400  -4.570  -3.747
  173   2HH2  ARG  26          2HH2      ARG  26  -9.758  -5.570  -4.145
  174    H    ALA  27           H        ALA  27  -9.003  -2.852   0.625
  175    HA   ALA  27           HA       ALA  27 -11.941  -3.051   1.149
  176   1HB   ALA  27          1HB       ALA  27 -10.808  -4.804   2.848
  177   2HB   ALA  27          2HB       ALA  27  -9.513  -4.710   1.653
  178   3HB   ALA  27          3HB       ALA  27 -11.131  -5.214   1.162
  179    H    HIS  28           H        HIS  28  -8.851  -2.552   2.877
  180    HA   HIS  28           HA       HIS  28 -10.353  -1.017   4.974
  181   1HB   HIS  28          2HB       HIS  28  -7.831  -2.698   5.013
  182   2HB   HIS  28          1HB       HIS  28  -8.318  -1.682   6.368
  183    HD1  HIS  28           HD1      HIS  28  -8.241  -4.924   6.260
  184    HD2  HIS  28           HD2      HIS  28 -11.625  -2.496   6.056
  185    HE1  HIS  28           HE1      HIS  28 -10.197  -6.356   6.997
  186    H    ARG  29           H        ARG  29  -8.760  -0.280   2.276
  187    HA   ARG  29           HA       ARG  29  -7.387   1.493   1.546
  188   1HB   ARG  29          2HB       ARG  29  -9.313   2.338   3.464
  189   2HB   ARG  29          1HB       ARG  29  -7.833   3.235   3.801
  190   1HG   ARG  29          2HG       ARG  29  -8.283   4.578   2.055
  191   2HG   ARG  29          1HG       ARG  29  -8.121   3.189   0.979
  192   1HD   ARG  29          2HD       ARG  29 -10.390   2.936   0.756
  193   2HD   ARG  29          1HD       ARG  29 -10.704   3.381   2.444
  194    HE   ARG  29           HE       ARG  29 -10.301   5.294   0.206
  195   1HH1  ARG  29          1HH2      ARG  29 -12.721   5.277   2.011
  196   2HH1  ARG  29          2HH2      ARG  29 -12.374   6.594   3.081
  197   1HH2  ARG  29          2HH1      ARG  29  -9.001   6.721   2.253
  198   2HH2  ARG  29          1HH1      ARG  29 -10.260   7.415   3.219
  199    H    TRP  30           H        TRP  30  -5.699  -0.303   2.512
  200    HA   TRP  30           HA       TRP  30  -3.701   1.302   4.003
  201   1HB   TRP  30          2HB       TRP  30  -3.494  -0.292   5.775
  202   2HB   TRP  30          1HB       TRP  30  -5.220   0.006   5.594
  203    HD1  TRP  30           HD1      TRP  30  -6.188  -1.836   3.448
  204    HE1  TRP  30           HE1      TRP  30  -5.974  -4.400   3.579
  205    HE3  TRP  30           HE3      TRP  30  -2.385  -2.220   6.824
  206    HZ2  TRP  30           HZ2      TRP  30  -4.392  -6.358   4.944
  207    HZ3  TRP  30           HZ3      TRP  30  -1.544  -4.441   7.525
  208    HH2  TRP  30           HH2      TRP  30  -2.541  -6.509   6.590
  209    H    CYS  31           H        CYS  31  -1.566   0.064   4.104
  210    HA   CYS  31           HA       CYS  31  -1.087  -1.192   1.461
  211   1HB   CYS  31          2HB       CYS  31   0.206   0.727   2.824
  212   2HB   CYS  31          1HB       CYS  31   1.075  -0.676   3.447
  213    H    LYS  32           H        LYS  32  -0.620  -3.328   1.215
  214    HA   LYS  32           HA       LYS  32   0.286  -4.957   3.525
  215   1HB   LYS  32          2HB       LYS  32  -1.585  -6.533   3.209
  216   2HB   LYS  32          1HB       LYS  32  -2.199  -4.921   3.573
  217   1HG   LYS  32          2HG       LYS  32  -2.785  -4.519   1.295
  218   2HG   LYS  32          1HG       LYS  32  -1.857  -5.910   0.734
  219   1HD   LYS  32          2HD       LYS  32  -3.707  -6.865   2.674
  220   2HD   LYS  32          1HD       LYS  32  -4.603  -5.821   1.571
  221   1HE   LYS  32          2HE       LYS  32  -4.042  -7.130  -0.320
  222   2HE   LYS  32          1HE       LYS  32  -2.694  -7.920   0.520
  223   1HZ   LYS  32          1HZ       LYS  32  -5.565  -8.172   1.267
  224   2HZ   LYS  32          2HZ       LYS  32  -4.260  -8.939   2.042
  225   3HZ   LYS  32          3HZ       LYS  32  -4.665  -9.352   0.445
  226    H    TYR  33           H        TYR  33   0.974  -7.152   2.783
  227    HA   TYR  33           HA       TYR  33   2.405  -7.028   0.244
  228   1HB   TYR  33          2HB       TYR  33   3.005  -8.138   2.531
  229   2HB   TYR  33          1HB       TYR  33   1.994  -9.472   1.973
  230    HD1  TYR  33           HD1      TYR  33   2.691 -10.913   0.162
  231    HD2  TYR  33           HD2      TYR  33   5.053  -7.505   1.288
  232    HE1  TYR  33           HE1      TYR  33   4.568 -11.755  -1.225
  233    HE2  TYR  33           HE2      TYR  33   6.929  -8.348  -0.099
  234    HH   TYR  33           HH       TYR  33   7.480 -11.108  -0.958
  235    H    GLU  34           H        GLU  34   2.051  -8.424  -1.587
  236    HA   GLU  34           HA       GLU  34  -0.766  -9.081  -2.101
  237   1HB   GLU  34          2HB       GLU  34   1.843  -9.198  -3.626
  238   2HB   GLU  34          1HB       GLU  34   0.361  -9.865  -4.310
  239   1HG   GLU  34          2HG       GLU  34  -0.749  -7.651  -3.949
  240   2HG   GLU  34          1HG       GLU  34   0.800  -7.003  -3.410
  241    H    ILE  35           H        ILE  35  -1.582 -10.985  -1.315
  242    HA   ILE  35           HA       ILE  35  -0.078 -13.497  -1.791
  243    HB   ILE  35           HB       ILE  35   0.618 -12.562   0.433
  244   1HG1  ILE  35          2HG1      ILE  35  -0.618 -14.770   1.625
  245   2HG1  ILE  35          1HG1      ILE  35  -0.539 -15.192  -0.085
  246   1HG2  ILE  35          1HG2      ILE  35  -0.946 -12.348   2.232
  247   2HG2  ILE  35          2HG2      ILE  35  -2.230 -13.118   1.299
  248   3HG2  ILE  35          3HG2      ILE  35  -1.665 -11.505   0.861
  249   1HD1  ILE  35          1HD1      ILE  35   1.509 -15.894   1.125
  250   2HD1  ILE  35          2HD1      ILE  35   1.803 -14.215   1.577
  251   3HD1  ILE  35          3HD1      ILE  35   1.866 -14.696  -0.119
  252   1HN   NH2  36          1HN       NH2  36  -3.904 -12.914  -2.208
  253   2HN   NH2  36          2HN       NH2  36  -2.485 -11.862  -2.404
  Start of MODEL   15
    1   1H    GLU   1          1H        GLU   1  12.351   7.132   0.052
    2   2H    GLU   1          2H        GLU   1  13.251   7.291   1.484
    3   3H    GLU   1          3H        GLU   1  11.669   7.907   1.398
    4    HA   GLU   1           HA       GLU   1  12.431   5.027   1.292
    5   1HB   GLU   1          2HB       GLU   1  11.497   6.976   3.368
    6   2HB   GLU   1          1HB       GLU   1  10.929   5.309   3.482
    7   1HG   GLU   1          2HG       GLU   1  13.551   4.847   3.027
    8   2HG   GLU   1          1HG       GLU   1  13.670   6.405   3.847
    9    H    CYS   2           H        CYS   2  10.344   3.706   1.670
   10    HA   CYS   2           HA       CYS   2   8.089   4.908   0.089
   11   1HB   CYS   2          2HB       CYS   2   7.688   2.499  -0.577
   12   2HB   CYS   2          1HB       CYS   2   9.224   3.156  -1.135
   13    H    LEU   3           H        LEU   3   5.950   3.682   0.583
   14    HA   LEU   3           HA       LEU   3   5.491   3.789   3.490
   15   1HB   LEU   3          2HB       LEU   3   3.701   3.224   1.098
   16   2HB   LEU   3          1HB       LEU   3   3.124   3.482   2.745
   17    HG   LEU   3           HG       LEU   3   4.899   5.526   1.424
   18   1HD1  LEU   3          1HD1      LEU   3   1.877   5.364   1.197
   19   2HD1  LEU   3          2HD1      LEU   3   3.013   5.102  -0.126
   20   3HD1  LEU   3          3HD1      LEU   3   2.886   6.693   0.626
   21   1HD2  LEU   3          1HD2      LEU   3   2.665   5.765   3.464
   22   2HD2  LEU   3          2HD2      LEU   3   3.813   7.021   3.005
   23   3HD2  LEU   3          3HD2      LEU   3   4.370   5.597   3.883
   24    H    GLY   4           H        GLY   4   6.212   1.959   4.567
   25   1HA   GLY   4          2HA       GLY   4   6.159  -0.690   3.382
   26   2HA   GLY   4          1HA       GLY   4   6.552  -0.318   5.059
   27    H    PHE   5           H        PHE   5   5.197  -2.399   5.246
   28    HA   PHE   5           HA       PHE   5   2.323  -2.268   4.871
   29   1HB   PHE   5          2HB       PHE   5   3.685  -4.340   4.906
   30   2HB   PHE   5          1HB       PHE   5   4.087  -4.042   6.596
   31    HD1  PHE   5           HD1      PHE   5   2.607  -4.677   8.341
   32    HD2  PHE   5           HD2      PHE   5   1.242  -4.679   4.267
   33    HE1  PHE   5           HE1      PHE   5   0.524  -5.826   9.038
   34    HE2  PHE   5           HE2      PHE   5  -0.840  -5.829   4.965
   35    HZ   PHE   5           HZ       PHE   5  -1.198  -6.402   7.351
   36    H    GLY   6           H        GLY   6   0.790  -1.464   6.270
   37   1HA   GLY   6          2HA       GLY   6  -0.096  -1.055   8.498
   38   2HA   GLY   6          1HA       GLY   6   1.555  -0.944   9.101
   39    H    LYS   7           H        LYS   7   2.000   0.793   6.479
   40    HA   LYS   7           HA       LYS   7   1.437   3.357   7.850
   41   1HB   LYS   7          2HB       LYS   7   3.045   2.441   5.460
   42   2HB   LYS   7          1HB       LYS   7   2.810   4.154   5.802
   43   1HG   LYS   7          2HG       LYS   7   4.675   3.907   7.086
   44   2HG   LYS   7          1HG       LYS   7   3.545   3.245   8.266
   45   1HD   LYS   7          2HD       LYS   7   4.182   1.059   7.860
   46   2HD   LYS   7          1HD       LYS   7   4.645   1.394   6.192
   47   1HE   LYS   7          2HE       LYS   7   6.786   1.343   6.992
   48   2HE   LYS   7          1HE       LYS   7   6.426   2.962   7.623
   49   1HZ   LYS   7          1HZ       LYS   7   5.923   0.395   9.042
   50   2HZ   LYS   7          2HZ       LYS   7   5.541   1.942   9.636
   51   3HZ   LYS   7          3HZ       LYS   7   7.164   1.495   9.402
   52    H    GLY   8           H        GLY   8   0.201   5.045   6.867
   53   1HA   GLY   8          2HA       GLY   8  -2.091   4.212   5.334
   54   2HA   GLY   8          1HA       GLY   8  -1.657   5.882   5.697
   55    H    CYS   9           H        CYS   9  -2.631   4.826   3.143
   56    HA   CYS   9           HA       CYS   9  -0.440   5.844   1.412
   57   1HB   CYS   9          2HB       CYS   9   0.099   3.568   1.312
   58   2HB   CYS   9          1HB       CYS   9  -1.579   3.062   1.490
   59    H    ASN  10           H        ASN  10  -1.240   6.715  -0.566
   60    HA   ASN  10           HA       ASN  10  -4.118   7.355  -0.600
   61   1HB   ASN  10          2HB       ASN  10  -1.646   8.132  -2.145
   62   2HB   ASN  10          1HB       ASN  10  -3.244   8.598  -2.729
   63   1HD2  ASN  10          1HD2      ASN  10  -4.403  10.236  -1.549
   64   2HD2  ASN  10          2HD2      ASN  10  -3.712  11.089  -0.256
   65    HA   PRO  11           HA       PRO  11  -5.011   3.896  -3.271
   66   1HB   PRO  11          2HB       PRO  11  -7.542   4.676  -4.002
   67   2HB   PRO  11          1HB       PRO  11  -7.165   3.942  -2.430
   68   1HG   PRO  11          2HG       PRO  11  -7.535   6.819  -3.132
   69   2HG   PRO  11          1HG       PRO  11  -8.112   5.921  -1.718
   70   1HD   PRO  11          2HD       PRO  11  -5.947   7.531  -1.618
   71   2HD   PRO  11          1HD       PRO  11  -6.080   6.054  -0.636
   72    H    SER  12           H        SER  12  -5.697   7.250  -4.329
   73    HA   SER  12           HA       SER  12  -5.679   6.642  -7.171
   74   1HB   SER  12          2HB       SER  12  -6.743   8.622  -6.001
   75   2HB   SER  12          1HB       SER  12  -5.123   9.255  -5.722
   76    HG   SER  12           HG       SER  12  -6.621   9.095  -8.050
   77    H    ASN  13           H        ASN  13  -3.276   7.911  -4.858
   78    HA   ASN  13           HA       ASN  13  -1.132   7.512  -6.919
   79   1HB   ASN  13          2HB       ASN  13  -1.346   9.308  -4.474
   80   2HB   ASN  13          1HB       ASN  13   0.087   9.194  -5.497
   81   1HD2  ASN  13          1HD2      ASN  13  -3.061  10.651  -5.205
   82   2HD2  ASN  13          2HD2      ASN  13  -3.058  11.450  -6.702
   83    H    ASP  14           H        ASP  14  -1.547   5.145  -6.011
   84    HA   ASP  14           HA       ASP  14  -0.689   4.448  -3.365
   85   1HB   ASP  14          2HB       ASP  14  -0.649   2.177  -4.278
   86   2HB   ASP  14          1HB       ASP  14  -2.046   3.040  -4.918
   87    H    GLN  15           H        GLN  15   1.330   3.947  -2.552
   88    HA   GLN  15           HA       GLN  15   3.672   3.719  -4.342
   89   1HB   GLN  15          2HB       GLN  15   2.885   6.202  -3.571
   90   2HB   GLN  15          1HB       GLN  15   3.914   5.777  -2.203
   91   1HG   GLN  15          2HG       GLN  15   5.692   5.111  -3.892
   92   2HG   GLN  15          1HG       GLN  15   4.678   5.852  -5.131
   93   1HE2  GLN  15          1HE2      GLN  15   6.699   6.549  -2.296
   94   2HE2  GLN  15          2HE2      GLN  15   6.749   8.229  -2.530
   95    H    CYS  16           H        CYS  16   2.656   1.726  -2.730
   96    HA   CYS  16           HA       CYS  16   3.854   1.718  -0.064
   97   1HB   CYS  16          2HB       CYS  16   2.554  -0.359  -1.851
   98   2HB   CYS  16          1HB       CYS  16   3.081  -0.703  -0.204
   99    H    CYS  17           H        CYS  17   5.501   0.054   0.559
  100    HA   CYS  17           HA       CYS  17   7.839   0.147  -1.117
  101   1HB   CYS  17          2HB       CYS  17   7.054  -1.522   1.294
  102   2HB   CYS  17          1HB       CYS  17   8.686  -1.477   0.628
  103    H    LYS  18           H        LYS  18   8.498  -1.246  -2.710
  104    HA   LYS  18           HA       LYS  18   6.719  -3.451  -3.520
  105   1HB   LYS  18          2HB       LYS  18   9.284  -2.268  -4.630
  106   2HB   LYS  18          1HB       LYS  18   8.341  -3.515  -5.445
  107   1HG   LYS  18          2HG       LYS  18   7.231  -0.812  -4.627
  108   2HG   LYS  18          1HG       LYS  18   7.824  -1.189  -6.244
  109   1HD   LYS  18          2HD       LYS  18   6.143  -2.916  -6.522
  110   2HD   LYS  18          1HD       LYS  18   5.615  -2.727  -4.850
  111   1HE   LYS  18          2HE       LYS  18   5.503  -0.135  -6.005
  112   2HE   LYS  18          1HE       LYS  18   4.753  -1.242  -7.170
  113   1HZ   LYS  18          1HZ       LYS  18   3.143  -0.543  -5.506
  114   2HZ   LYS  18          2HZ       LYS  18   4.148  -1.109  -4.259
  115   3HZ   LYS  18          3HZ       LYS  18   3.455  -2.204  -5.359
  116    H    SER  19           H        SER  19   9.302  -3.211  -1.352
  117    HA   SER  19           HA       SER  19  10.874  -5.532  -1.908
  118   1HB   SER  19          2HB       SER  19  10.150  -3.962   0.571
  119   2HB   SER  19          1HB       SER  19  11.241  -5.344   0.649
  120    HG   SER  19           HG       SER  19  12.023  -3.015   0.184
  121    H    SER  20           H        SER  20   7.855  -5.120  -0.044
  122    HA   SER  20           HA       SER  20   7.691  -8.098   0.270
  123   1HB   SER  20          2HB       SER  20   6.647  -5.718   1.806
  124   2HB   SER  20          1HB       SER  20   5.955  -7.320   2.043
  125    HG   SER  20           HG       SER  20   8.450  -6.312   2.727
  126    H    ASN  21           H        ASN  21   6.794  -6.190  -2.064
  127    HA   ASN  21           HA       ASN  21   4.964  -6.013  -3.536
  128   1HB   ASN  21          2HB       ASN  21   5.521  -8.611  -2.974
  129   2HB   ASN  21          1HB       ASN  21   3.833  -8.546  -2.466
  130   1HD2  ASN  21          1HD2      ASN  21   2.253  -7.668  -4.147
  131   2HD2  ASN  21          2HD2      ASN  21   2.604  -7.920  -5.788
  132    H    LEU  22           H        LEU  22   4.108  -4.203  -2.153
  133    HA   LEU  22           HA       LEU  22   1.590  -4.997  -0.717
  134   1HB   LEU  22          2HB       LEU  22   3.672  -2.860  -0.210
  135   2HB   LEU  22          1HB       LEU  22   2.085  -2.822   0.559
  136    HG   LEU  22           HG       LEU  22   3.788  -5.306   0.687
  137   1HD1  LEU  22          1HD1      LEU  22   5.201  -3.479   1.516
  138   2HD1  LEU  22          2HD1      LEU  22   4.650  -4.472   2.865
  139   3HD1  LEU  22          3HD1      LEU  22   3.890  -2.912   2.550
  140   1HD2  LEU  22          1HD2      LEU  22   1.477  -5.541   1.391
  141   2HD2  LEU  22          2HD2      LEU  22   1.590  -4.093   2.393
  142   3HD2  LEU  22          3HD2      LEU  22   2.490  -5.545   2.835
  143    H    VAL  23           H        VAL  23  -0.255  -3.766  -1.150
  144    HA   VAL  23           HA       VAL  23  -0.033  -1.700  -3.320
  145    HB   VAL  23           HB       VAL  23  -2.287  -2.561  -4.026
  146   1HG1  VAL  23          1HG1      VAL  23  -0.151  -4.708  -3.880
  147   2HG1  VAL  23          2HG1      VAL  23  -0.163  -3.388  -5.048
  148   3HG1  VAL  23          3HG1      VAL  23  -1.448  -4.597  -5.070
  149   1HG2  VAL  23          1HG2      VAL  23  -2.764  -3.524  -1.690
  150   2HG2  VAL  23          2HG2      VAL  23  -1.743  -4.882  -2.161
  151   3HG2  VAL  23          3HG2      VAL  23  -3.217  -4.534  -3.063
  152    H    CYS  24           H        CYS  24  -2.181  -0.293  -3.273
  153    HA   CYS  24           HA       CYS  24  -2.453   0.718  -0.506
  154   1HB   CYS  24          2HB       CYS  24  -2.155   1.928  -2.883
  155   2HB   CYS  24          1HB       CYS  24  -3.917   1.877  -2.833
  156    H    SER  25           H        SER  25  -4.571   1.087   0.456
  157    HA   SER  25           HA       SER  25  -6.691  -0.795  -0.542
  158   1HB   SER  25          2HB       SER  25  -5.270  -0.913   1.779
  159   2HB   SER  25          1HB       SER  25  -6.632   0.075   2.297
  160    HG   SER  25           HG       SER  25  -6.797  -2.349   2.367
  161    H    ARG  26           H        ARG  26  -8.939  -0.077   0.376
  162    HA   ARG  26           HA       ARG  26  -9.204   2.896   0.044
  163   1HB   ARG  26          2HB       ARG  26 -10.110   1.251  -1.704
  164   2HB   ARG  26          1HB       ARG  26 -11.295   0.774  -0.488
  165   1HG   ARG  26          2HG       ARG  26 -12.291   2.915  -0.443
  166   2HG   ARG  26          1HG       ARG  26 -10.898   3.676  -1.213
  167   1HD   ARG  26          2HD       ARG  26 -12.284   3.531  -3.065
  168   2HD   ARG  26          1HD       ARG  26 -11.556   1.916  -3.162
  169    HE   ARG  26           HE       ARG  26 -13.670   1.561  -1.410
  170   1HH1  ARG  26          2HH1      ARG  26 -13.803   0.191  -3.990
  171   2HH1  ARG  26          1HH1      ARG  26 -15.162   0.926  -4.772
  172   1HH2  ARG  26          1HH2      ARG  26 -15.221   3.685  -2.659
  173   2HH2  ARG  26          2HH2      ARG  26 -15.967   2.908  -4.016
  174    H    ALA  27           H        ALA  27 -10.580   0.055   1.750
  175    HA   ALA  27           HA       ALA  27 -12.403   1.440   3.442
  176   1HB   ALA  27          1HB       ALA  27 -12.238  -0.622   4.801
  177   2HB   ALA  27          2HB       ALA  27 -10.764  -1.067   3.940
  178   3HB   ALA  27          3HB       ALA  27 -12.303  -1.007   3.081
  179    H    HIS  28           H        HIS  28  -8.977   0.592   3.970
  180    HA   HIS  28           HA       HIS  28  -8.961   2.369   6.384
  181   1HB   HIS  28          2HB       HIS  28  -7.787  -0.215   5.640
  182   2HB   HIS  28          1HB       HIS  28  -6.608   0.893   6.341
  183    HD1  HIS  28           HD1      HIS  28  -6.450  -0.171   8.655
  184    HD2  HIS  28           HD2      HIS  28 -10.368   0.760   7.574
  185    HE1  HIS  28           HE1      HIS  28  -7.862  -0.489  10.734
  186    H    ARG  29           H        ARG  29  -7.859   2.169   3.121
  187    HA   ARG  29           HA       ARG  29  -6.378   3.500   1.865
  188   1HB   ARG  29          2HB       ARG  29  -7.941   5.100   3.268
  189   2HB   ARG  29          1HB       ARG  29  -6.454   5.466   4.142
  190   1HG   ARG  29          2HG       ARG  29  -5.384   6.301   2.200
  191   2HG   ARG  29          1HG       ARG  29  -6.575   5.564   1.127
  192   1HD   ARG  29          2HD       ARG  29  -7.806   7.393   3.065
  193   2HD   ARG  29          1HD       ARG  29  -6.639   8.200   1.999
  194    HE   ARG  29           HE       ARG  29  -8.007   7.642   0.127
  195   1HH1  ARG  29          1HH2      ARG  29 -10.243   8.009   2.175
  196   2HH1  ARG  29          2HH2      ARG  29 -11.193   6.589   1.890
  197   1HH2  ARG  29          2HH1      ARG  29  -8.699   4.953   0.110
  198   2HH2  ARG  29          1HH1      ARG  29 -10.317   4.856   0.718
  199    H    TRP  30           H        TRP  30  -4.877   1.618   2.821
  200    HA   TRP  30           HA       TRP  30  -2.413   2.951   3.794
  201   1HB   TRP  30          2HB       TRP  30  -2.210   1.467   5.700
  202   2HB   TRP  30          1HB       TRP  30  -3.809   2.202   5.763
  203    HD1  TRP  30           HD1      TRP  30  -5.694   0.571   4.247
  204    HE1  TRP  30           HE1      TRP  30  -6.077  -1.953   4.594
  205    HE3  TRP  30           HE3      TRP  30  -1.307  -0.673   6.537
  206    HZ2  TRP  30           HZ2      TRP  30  -4.704  -4.202   5.697
  207    HZ3  TRP  30           HZ3      TRP  30  -0.872  -3.014   7.228
  208    HH2  TRP  30           HH2      TRP  30  -2.564  -4.777   6.811
  209    H    CYS  31           H        CYS  31  -0.688   0.969   4.048
  210    HA   CYS  31           HA       CYS  31  -0.613  -0.290   1.377
  211   1HB   CYS  31          2HB       CYS  31   1.274   0.072   3.704
  212   2HB   CYS  31          1HB       CYS  31   1.687  -1.003   2.369
  213    H    LYS  32           H        LYS  32  -1.853  -2.138   1.265
  214    HA   LYS  32           HA       LYS  32  -1.559  -4.171   3.456
  215   1HB   LYS  32          2HB       LYS  32  -3.808  -4.916   2.733
  216   2HB   LYS  32          1HB       LYS  32  -3.819  -3.207   3.157
  217   1HG   LYS  32          2HG       LYS  32  -4.305  -2.561   1.035
  218   2HG   LYS  32          1HG       LYS  32  -3.177  -3.716   0.329
  219   1HD   LYS  32          2HD       LYS  32  -4.956  -5.495   1.097
  220   2HD   LYS  32          1HD       LYS  32  -6.052  -4.112   1.102
  221   1HE   LYS  32          2HE       LYS  32  -5.244  -3.613  -1.271
  222   2HE   LYS  32          1HE       LYS  32  -4.472  -5.210  -1.241
  223   1HZ   LYS  32          1HZ       LYS  32  -6.712  -5.401  -2.100
  224   2HZ   LYS  32          2HZ       LYS  32  -7.345  -4.639  -0.720
  225   3HZ   LYS  32          3HZ       LYS  32  -6.617  -6.170  -0.591
  226    H    TYR  33           H        TYR  33  -1.891  -6.491   2.528
  227    HA   TYR  33           HA       TYR  33  -0.001  -6.857   0.298
  228   1HB   TYR  33          2HB       TYR  33  -0.672  -8.203   2.620
  229   2HB   TYR  33          1HB       TYR  33  -1.432  -9.193   1.374
  230    HD1  TYR  33           HD1      TYR  33  -0.020  -9.960  -0.609
  231    HD2  TYR  33           HD2      TYR  33   1.676  -8.236   2.942
  232    HE1  TYR  33           HE1      TYR  33   2.192 -10.907  -1.207
  233    HE2  TYR  33           HE2      TYR  33   3.889  -9.183   2.344
  234    HH   TYR  33           HH       TYR  33   4.492 -11.496   0.608
  235    H    GLU  34           H        GLU  34  -0.536  -7.877  -1.704
  236    HA   GLU  34           HA       GLU  34  -3.407  -7.644  -2.477
  237   1HB   GLU  34          2HB       GLU  34  -1.356  -6.562  -3.657
  238   2HB   GLU  34          1HB       GLU  34  -1.049  -8.181  -4.285
  239   1HG   GLU  34          2HG       GLU  34  -3.816  -7.054  -4.520
  240   2HG   GLU  34          1HG       GLU  34  -2.574  -6.483  -5.635
  241    H    ILE  35           H        ILE  35  -4.616  -9.462  -2.829
  242    HA   ILE  35           HA       ILE  35  -3.237 -12.039  -3.440
  243    HB   ILE  35           HB       ILE  35  -3.634 -11.759  -0.973
  244   1HG1  ILE  35          2HG1      ILE  35  -5.486 -13.916  -1.354
  245   2HG1  ILE  35          1HG1      ILE  35  -4.309 -13.956  -2.667
  246   1HG2  ILE  35          1HG2      ILE  35  -5.823 -11.625  -0.073
  247   2HG2  ILE  35          2HG2      ILE  35  -6.573 -12.022  -1.619
  248   3HG2  ILE  35          3HG2      ILE  35  -5.812 -10.448  -1.387
  249   1HD1  ILE  35          1HD1      ILE  35  -3.948 -14.722   0.081
  250   2HD1  ILE  35          2HD1      ILE  35  -2.864 -13.383  -0.289
  251   3HD1  ILE  35          3HD1      ILE  35  -2.807 -14.855  -1.256
  252   1HN   NH2  36          1HN       NH2  36  -6.585 -10.762  -5.200
  253   2HN   NH2  36          2HN       NH2  36  -5.212  -9.837  -4.555
  Start of MODEL   16
    1   1H    GLU   1          1H        GLU   1  11.385   7.433   5.027
    2   2H    GLU   1          2H        GLU   1   9.710   7.206   5.209
    3   3H    GLU   1          3H        GLU   1  10.363   7.554   3.679
    4    HA   GLU   1           HA       GLU   1  11.556   5.422   3.691
    5   1HB   GLU   1          2HB       GLU   1  10.285   5.456   6.423
    6   2HB   GLU   1          1HB       GLU   1  10.676   3.916   5.658
    7   1HG   GLU   1          2HG       GLU   1  12.839   4.159   6.232
    8   2HG   GLU   1          1HG       GLU   1  12.917   5.683   5.345
    9    H    CYS   2           H        CYS   2  10.363   3.320   3.202
   10    HA   CYS   2           HA       CYS   2   7.888   3.852   1.788
   11   1HB   CYS   2          2HB       CYS   2   8.103   1.547   1.130
   12   2HB   CYS   2          1HB       CYS   2   9.743   2.182   1.243
   13    H    LEU   3           H        LEU   3   5.849   2.564   2.214
   14    HA   LEU   3           HA       LEU   3   5.308   2.453   5.153
   15   1HB   LEU   3          2HB       LEU   3   3.443   2.576   2.757
   16   2HB   LEU   3          1HB       LEU   3   2.963   2.723   4.445
   17    HG   LEU   3           HG       LEU   3   4.728   4.632   2.885
   18   1HD1  LEU   3          1HD1      LEU   3   1.914   4.660   3.926
   19   2HD1  LEU   3          2HD1      LEU   3   2.537   5.230   2.377
   20   3HD1  LEU   3          3HD1      LEU   3   2.808   6.179   3.840
   21   1HD2  LEU   3          1HD2      LEU   3   4.306   4.227   5.812
   22   2HD2  LEU   3          2HD2      LEU   3   4.326   5.892   5.229
   23   3HD2  LEU   3          3HD2      LEU   3   5.719   4.845   4.955
   24    H    GLY   4           H        GLY   4   5.353   0.427   6.012
   25   1HA   GLY   4          2HA       GLY   4   5.178  -1.955   4.332
   26   2HA   GLY   4          1HA       GLY   4   5.375  -1.935   6.084
   27    H    PHE   5           H        PHE   5   3.724  -3.329   6.694
   28    HA   PHE   5           HA       PHE   5   1.012  -3.026   5.549
   29   1HB   PHE   5          2HB       PHE   5   2.598  -5.094   6.598
   30   2HB   PHE   5          1HB       PHE   5   1.322  -4.860   7.792
   31    HD1  PHE   5           HD1      PHE   5   2.157  -6.477   4.771
   32    HD2  PHE   5           HD2      PHE   5  -1.113  -4.526   6.761
   33    HE1  PHE   5           HE1      PHE   5   0.553  -7.653   3.292
   34    HE2  PHE   5           HE2      PHE   5  -2.714  -5.705   5.280
   35    HZ   PHE   5           HZ       PHE   5  -1.882  -7.265   3.546
   36    H    GLY   6           H        GLY   6  -0.505  -1.730   6.504
   37   1HA   GLY   6          2HA       GLY   6  -1.822  -1.026   8.408
   38   2HA   GLY   6          1HA       GLY   6  -0.440  -1.354   9.453
   39    H    LYS   7           H        LYS   7  -0.906   0.652   6.513
   40    HA   LYS   7           HA       LYS   7  -0.267   3.096   8.059
   41   1HB   LYS   7          2HB       LYS   7   1.655   1.571   6.516
   42   2HB   LYS   7          1HB       LYS   7   1.455   3.177   5.817
   43   1HG   LYS   7          2HG       LYS   7   2.100   2.562   8.717
   44   2HG   LYS   7          1HG       LYS   7   3.217   3.220   7.524
   45   1HD   LYS   7          2HD       LYS   7   0.690   4.561   8.539
   46   2HD   LYS   7          1HD       LYS   7   2.345   5.030   8.924
   47   1HE   LYS   7          2HE       LYS   7   2.537   5.144   6.250
   48   2HE   LYS   7          1HE       LYS   7   0.798   5.458   6.403
   49   1HZ   LYS   7          1HZ       LYS   7   2.109   7.506   6.595
   50   2HZ   LYS   7          2HZ       LYS   7   2.933   6.857   7.933
   51   3HZ   LYS   7          3HZ       LYS   7   1.264   7.171   8.028
   52    H    GLY   8           H        GLY   8  -1.350   4.825   7.176
   53   1HA   GLY   8          2HA       GLY   8  -3.250   4.511   5.094
   54   2HA   GLY   8          1HA       GLY   8  -2.673   6.067   5.690
   55    H    CYS   9           H        CYS   9  -3.204   5.005   2.893
   56    HA   CYS   9           HA       CYS   9  -0.690   6.034   1.682
   57   1HB   CYS   9          2HB       CYS   9  -0.156   3.764   1.617
   58   2HB   CYS   9          1HB       CYS   9  -1.843   3.268   1.502
   59    H    ASN  10           H        ASN  10  -1.038   6.781  -0.524
   60    HA   ASN  10           HA       ASN  10  -3.911   7.345  -1.136
   61   1HB   ASN  10          2HB       ASN  10  -1.254   8.640  -1.646
   62   2HB   ASN  10          1HB       ASN  10  -2.575   8.975  -2.765
   63   1HD2  ASN  10          1HD2      ASN  10  -3.719  10.816  -2.172
   64   2HD2  ASN  10          2HD2      ASN  10  -3.985  11.331  -0.576
   65    HA   PRO  11           HA       PRO  11  -3.707   4.616  -4.611
   66   1HB   PRO  11          2HB       PRO  11  -5.670   5.737  -6.168
   67   2HB   PRO  11          1HB       PRO  11  -6.015   4.769  -4.721
   68   1HG   PRO  11          2HG       PRO  11  -5.986   7.729  -5.053
   69   2HG   PRO  11          1HG       PRO  11  -7.098   6.708  -4.127
   70   1HD   PRO  11          2HD       PRO  11  -5.077   8.123  -2.984
   71   2HD   PRO  11          1HD       PRO  11  -5.696   6.596  -2.314
   72    H    SER  12           H        SER  12  -3.845   8.135  -5.301
   73    HA   SER  12           HA       SER  12  -2.539   7.884  -7.905
   74   1HB   SER  12          2HB       SER  12  -4.169   9.688  -7.066
   75   2HB   SER  12          1HB       SER  12  -2.814  10.338  -6.146
   76    HG   SER  12           HG       SER  12  -2.266  11.276  -7.938
   77    H    ASN  13           H        ASN  13  -1.551   8.768  -4.598
   78    HA   ASN  13           HA       ASN  13   1.305   8.847  -5.496
   79   1HB   ASN  13          2HB       ASN  13   0.030  10.783  -4.275
   80   2HB   ASN  13          1HB       ASN  13   0.218   9.779  -2.837
   81   1HD2  ASN  13          1HD2      ASN  13   1.811  12.096  -4.817
   82   2HD2  ASN  13          2HD2      ASN  13   3.367  11.918  -4.162
   83    H    ASP  14           H        ASP  14   0.809   6.341  -5.481
   84    HA   ASP  14           HA       ASP  14   0.454   4.864  -3.080
   85   1HB   ASP  14          2HB       ASP  14   1.243   4.460  -5.844
   86   2HB   ASP  14          1HB       ASP  14   2.178   3.416  -4.774
   87    H    GLN  15           H        GLN  15   1.763   4.829  -1.295
   88    HA   GLN  15           HA       GLN  15   4.716   5.241  -1.685
   89   1HB   GLN  15          2HB       GLN  15   2.707   6.261   0.310
   90   2HB   GLN  15          1HB       GLN  15   4.402   6.125   0.776
   91   1HG   GLN  15          2HG       GLN  15   4.721   7.347  -1.601
   92   2HG   GLN  15          1HG       GLN  15   3.118   7.957  -1.190
   93   1HE2  GLN  15          1HE2      GLN  15   6.441   7.662   0.174
   94   2HE2  GLN  15          2HE2      GLN  15   6.318   9.040   1.158
   95    H    CYS  16           H        CYS  16   3.053   2.676  -1.525
   96    HA   CYS  16           HA       CYS  16   3.622   1.479   1.075
   97   1HB   CYS  16          2HB       CYS  16   2.793   0.400  -1.636
   98   2HB   CYS  16          1HB       CYS  16   2.888  -0.592  -0.182
   99    H    CYS  17           H        CYS  17   5.078  -0.429   1.311
  100    HA   CYS  17           HA       CYS  17   7.701   0.081   0.108
  101   1HB   CYS  17          2HB       CYS  17   6.816  -0.840   2.500
  102   2HB   CYS  17          1HB       CYS  17   7.153  -2.374   1.697
  103    H    LYS  18           H        LYS  18   8.331  -0.798  -1.806
  104    HA   LYS  18           HA       LYS  18   6.765  -2.827  -3.185
  105   1HB   LYS  18          2HB       LYS  18   8.149  -0.861  -4.107
  106   2HB   LYS  18          1HB       LYS  18   9.562  -1.882  -3.838
  107   1HG   LYS  18          2HG       LYS  18   8.810  -3.522  -5.375
  108   2HG   LYS  18          1HG       LYS  18   7.172  -2.868  -5.397
  109   1HD   LYS  18          2HD       LYS  18   8.300  -0.703  -6.315
  110   2HD   LYS  18          1HD       LYS  18   9.662  -1.762  -6.683
  111   1HE   LYS  18          2HE       LYS  18   8.463  -1.969  -8.665
  112   2HE   LYS  18          1HE       LYS  18   7.702  -3.273  -7.733
  113   1HZ   LYS  18          1HZ       LYS  18   6.757  -0.455  -7.879
  114   2HZ   LYS  18          2HZ       LYS  18   6.051  -1.681  -6.936
  115   3HZ   LYS  18          3HZ       LYS  18   6.023  -1.786  -8.631
  116    H    SER  19           H        SER  19   9.473  -2.930  -0.980
  117    HA   SER  19           HA       SER  19  10.787  -5.323  -1.769
  118   1HB   SER  19          2HB       SER  19  11.439  -3.626  -0.004
  119   2HB   SER  19          1HB       SER  19  10.229  -4.351   1.051
  120    HG   SER  19           HG       SER  19  11.612  -5.869   1.460
  121    H    SER  20           H        SER  20   7.852  -4.855   0.217
  122    HA   SER  20           HA       SER  20   7.520  -7.826   0.371
  123   1HB   SER  20          2HB       SER  20   7.535  -6.222   2.394
  124   2HB   SER  20          1HB       SER  20   5.957  -5.686   1.829
  125    HG   SER  20           HG       SER  20   6.759  -8.145   2.896
  126    H    ASN  21           H        ASN  21   6.841  -5.940  -1.997
  127    HA   ASN  21           HA       ASN  21   5.085  -5.635  -3.542
  128   1HB   ASN  21          2HB       ASN  21   4.966  -8.368  -2.377
  129   2HB   ASN  21          1HB       ASN  21   3.554  -7.868  -3.306
  130   1HD2  ASN  21          1HD2      ASN  21   6.934  -8.780  -3.540
  131   2HD2  ASN  21          2HD2      ASN  21   7.042  -8.672  -5.230
  132    H    LEU  22           H        LEU  22   4.432  -3.920  -1.696
  133    HA   LEU  22           HA       LEU  22   1.742  -4.595  -0.577
  134   1HB   LEU  22          2HB       LEU  22   3.903  -2.573  -0.005
  135   2HB   LEU  22          1HB       LEU  22   2.267  -2.319   0.600
  136    HG   LEU  22           HG       LEU  22   3.596  -4.976   1.039
  137   1HD1  LEU  22          1HD1      LEU  22   5.289  -3.465   1.833
  138   2HD1  LEU  22          2HD1      LEU  22   4.404  -4.028   3.250
  139   3HD1  LEU  22          3HD1      LEU  22   4.085  -2.422   2.592
  140   1HD2  LEU  22          1HD2      LEU  22   1.374  -5.010   1.768
  141   2HD2  LEU  22          2HD2      LEU  22   1.409  -3.320   2.273
  142   3HD2  LEU  22          3HD2      LEU  22   2.221  -4.548   3.245
  143    H    VAL  23           H        VAL  23  -0.079  -3.538  -1.330
  144    HA   VAL  23           HA       VAL  23   0.316  -1.373  -3.376
  145    HB   VAL  23           HB       VAL  23  -1.713  -2.348  -4.465
  146   1HG1  VAL  23          1HG1      VAL  23   0.654  -3.047  -5.041
  147   2HG1  VAL  23          2HG1      VAL  23  -0.588  -4.233  -5.441
  148   3HG1  VAL  23          3HG1      VAL  23   0.413  -4.455  -4.006
  149   1HG2  VAL  23          1HG2      VAL  23  -2.496  -3.398  -2.233
  150   2HG2  VAL  23          2HG2      VAL  23  -1.372  -4.706  -2.602
  151   3HG2  VAL  23          3HG2      VAL  23  -2.711  -4.359  -3.695
  152    H    CYS  24           H        CYS  24  -1.430   0.245  -3.445
  153    HA   CYS  24           HA       CYS  24  -2.439   0.934  -0.793
  154   1HB   CYS  24          2HB       CYS  24  -1.685   2.308  -2.993
  155   2HB   CYS  24          1HB       CYS  24  -3.428   2.291  -3.250
  156    H    SER  25           H        SER  25  -4.608   0.902  -0.102
  157    HA   SER  25           HA       SER  25  -6.449  -0.812  -1.716
  158   1HB   SER  25          2HB       SER  25  -7.159  -1.621   0.313
  159   2HB   SER  25          1HB       SER  25  -5.601  -1.008   0.855
  160    HG   SER  25           HG       SER  25  -8.139  -0.136   1.401
  161    H    ARG  26           H        ARG  26  -8.866  -0.168  -1.315
  162    HA   ARG  26           HA       ARG  26  -9.117   2.790  -1.739
  163   1HB   ARG  26          2HB       ARG  26 -10.022   0.426  -3.113
  164   2HB   ARG  26          1HB       ARG  26 -11.424   1.353  -2.582
  165   1HG   ARG  26          2HG       ARG  26 -10.758   2.143  -4.785
  166   2HG   ARG  26          1HG       ARG  26 -10.402   3.399  -3.600
  167   1HD   ARG  26          2HD       ARG  26  -8.503   3.083  -5.184
  168   2HD   ARG  26          1HD       ARG  26  -8.029   2.650  -3.531
  169    HE   ARG  26           HE       ARG  26  -7.842   0.404  -4.243
  170   1HH1  ARG  26          2HH1      ARG  26  -7.850   1.856  -7.062
  171   2HH1  ARG  26          1HH1      ARG  26  -8.879   0.763  -7.928
  172   1HH2  ARG  26          1HH2      ARG  26 -10.020  -0.848  -5.067
  173   2HH2  ARG  26          2HH2      ARG  26 -10.112  -0.771  -6.795
  174    H    ALA  27           H        ALA  27 -10.386   0.020   0.078
  175    HA   ALA  27           HA       ALA  27 -12.684   1.288   1.229
  176   1HB   ALA  27          1HB       ALA  27 -10.857  -0.952   2.140
  177   2HB   ALA  27          2HB       ALA  27 -12.363  -1.112   1.237
  178   3HB   ALA  27          3HB       ALA  27 -12.396  -0.571   2.915
  179    H    HIS  28           H        HIS  28  -9.520   0.637   2.774
  180    HA   HIS  28           HA       HIS  28 -10.056   2.860   4.697
  181   1HB   HIS  28          2HB       HIS  28  -8.247   0.437   4.649
  182   2HB   HIS  28          1HB       HIS  28  -8.103   1.690   5.882
  183    HD1  HIS  28           HD1      HIS  28 -10.461   2.220   7.195
  184    HD2  HIS  28           HD2      HIS  28 -10.185  -1.451   5.239
  185    HE1  HIS  28           HE1      HIS  28 -12.282   0.754   8.167
  186    H    ARG  29           H        ARG  29  -8.331   2.308   1.825
  187    HA   ARG  29           HA       ARG  29  -6.607   3.486   0.743
  188   1HB   ARG  29          2HB       ARG  29  -8.262   5.248   2.201
  189   2HB   ARG  29          1HB       ARG  29  -6.614   5.788   2.516
  190   1HG   ARG  29          2HG       ARG  29  -6.888   6.897   0.538
  191   2HG   ARG  29          1HG       ARG  29  -6.456   5.334  -0.154
  192   1HD   ARG  29          2HD       ARG  29  -8.595   4.920  -0.885
  193   2HD   ARG  29          1HD       ARG  29  -9.334   5.702   0.527
  194    HE   ARG  29           HE       ARG  29  -8.513   7.055  -1.950
  195   1HH1  ARG  29          2HH1      ARG  29 -10.945   7.496  -0.040
  196   2HH1  ARG  29          1HH1      ARG  29 -10.585   9.088   0.538
  197   1HH2  ARG  29          1HH2      ARG  29  -7.297   9.041  -0.586
  198   2HH2  ARG  29          2HH2      ARG  29  -8.515   9.965   0.228
  199    H    TRP  30           H        TRP  30  -5.270   1.714   1.926
  200    HA   TRP  30           HA       TRP  30  -3.037   3.060   3.332
  201   1HB   TRP  30          2HB       TRP  30  -3.140   1.504   5.219
  202   2HB   TRP  30          1HB       TRP  30  -4.687   2.328   5.063
  203    HD1  TRP  30           HD1      TRP  30  -6.419   0.835   3.280
  204    HE1  TRP  30           HE1      TRP  30  -6.990  -1.669   3.509
  205    HE3  TRP  30           HE3      TRP  30  -2.481  -0.693   6.126
  206    HZ2  TRP  30           HZ2      TRP  30  -5.910  -4.014   4.749
  207    HZ3  TRP  30           HZ3      TRP  30  -2.273  -3.061   6.824
  208    HH2  TRP  30           HH2      TRP  30  -3.983  -4.723   6.140
  209    H    CYS  31           H        CYS  31  -1.407   1.018   3.907
  210    HA   CYS  31           HA       CYS  31  -0.864  -0.183   1.254
  211   1HB   CYS  31          2HB       CYS  31   0.635   0.217   3.839
  212   2HB   CYS  31          1HB       CYS  31   1.278  -0.837   2.582
  213    H    LYS  32           H        LYS  32  -1.752  -2.151   0.852
  214    HA   LYS  32           HA       LYS  32  -1.756  -4.197   3.047
  215   1HB   LYS  32          2HB       LYS  32  -3.951  -4.921   2.188
  216   2HB   LYS  32          1HB       LYS  32  -4.001  -3.215   2.623
  217   1HG   LYS  32          2HG       LYS  32  -4.616  -2.683   0.528
  218   2HG   LYS  32          1HG       LYS  32  -3.143  -3.416  -0.104
  219   1HD   LYS  32          2HD       LYS  32  -4.461  -4.975  -1.066
  220   2HD   LYS  32          1HD       LYS  32  -4.758  -5.597   0.557
  221   1HE   LYS  32          2HE       LYS  32  -6.384  -3.288  -0.526
  222   2HE   LYS  32          1HE       LYS  32  -6.839  -4.969  -0.862
  223   1HZ   LYS  32          1HZ       LYS  32  -6.690  -5.417   1.540
  224   2HZ   LYS  32          2HZ       LYS  32  -7.879  -4.257   1.179
  225   3HZ   LYS  32          3HZ       LYS  32  -6.384  -3.771   1.824
  226    H    TYR  33           H        TYR  33  -2.475  -6.424   1.673
  227    HA   TYR  33           HA       TYR  33  -0.313  -6.696  -0.378
  228   1HB   TYR  33          2HB       TYR  33  -0.797  -8.093   1.894
  229   2HB   TYR  33          1HB       TYR  33  -1.744  -9.049   0.755
  230    HD1  TYR  33           HD1      TYR  33  -0.642 -10.031  -1.274
  231    HD2  TYR  33           HD2      TYR  33   1.601  -8.101   1.841
  232    HE1  TYR  33           HE1      TYR  33   1.437 -11.088  -2.116
  233    HE2  TYR  33           HE2      TYR  33   3.678  -9.158   0.998
  234    HH   TYR  33           HH       TYR  33   4.194 -10.234  -1.791
  235    H    GLU  34           H        GLU  34  -0.805  -7.722  -2.400
  236    HA   GLU  34           HA       GLU  34  -3.445  -7.215  -3.475
  237   1HB   GLU  34          2HB       GLU  34  -1.024  -7.349  -4.531
  238   2HB   GLU  34          1HB       GLU  34  -1.430  -9.052  -4.742
  239   1HG   GLU  34          2HG       GLU  34  -2.462  -8.408  -6.653
  240   2HG   GLU  34          1HG       GLU  34  -3.724  -7.761  -5.604
  241    H    ILE  35           H        ILE  35  -5.194  -8.491  -3.011
  242    HA   ILE  35           HA       ILE  35  -4.757 -11.408  -2.477
  243    HB   ILE  35           HB       ILE  35  -6.988  -9.469  -1.761
  244   1HG1  ILE  35          2HG1      ILE  35  -5.605 -10.839   0.412
  245   2HG1  ILE  35          1HG1      ILE  35  -4.481  -9.910  -0.579
  246   1HG2  ILE  35          1HG2      ILE  35  -6.649 -12.436  -1.272
  247   2HG2  ILE  35          2HG2      ILE  35  -8.017 -11.606  -2.016
  248   3HG2  ILE  35          3HG2      ILE  35  -7.716 -11.434  -0.287
  249   1HD1  ILE  35          1HD1      ILE  35  -6.060  -7.949  -0.381
  250   2HD1  ILE  35          2HD1      ILE  35  -5.312  -8.437   1.140
  251   3HD1  ILE  35          3HD1      ILE  35  -6.980  -8.891   0.793
  252   1HN   NH2  36          1HN       NH2  36  -7.267 -12.625  -4.676
  253   2HN   NH2  36          2HN       NH2  36  -6.663 -12.747  -3.009
  Start of MODEL   17
    1   1H    GLU   1          1H        GLU   1  11.422   7.015   2.590
    2   2H    GLU   1          2H        GLU   1  10.563   6.847   4.046
    3   3H    GLU   1          3H        GLU   1  11.303   8.327   3.661
    4    HA   GLU   1           HA       GLU   1   8.912   8.468   3.282
    5   1HB   GLU   1          2HB       GLU   1  10.960   8.560   1.084
    6   2HB   GLU   1          1HB       GLU   1   9.280   8.923   0.694
    7   1HG   GLU   1          2HG       GLU   1   9.302  10.897   1.836
    8   2HG   GLU   1          1HG       GLU   1  10.320  10.254   3.125
    9    H    CYS   2           H        CYS   2   8.292   6.072   3.790
   10    HA   CYS   2           HA       CYS   2   7.116   4.896   1.327
   11   1HB   CYS   2          2HB       CYS   2   9.402   3.925   1.666
   12   2HB   CYS   2          1HB       CYS   2   8.892   3.358   3.256
   13    H    LEU   3           H        LEU   3   5.199   3.756   1.773
   14    HA   LEU   3           HA       LEU   3   4.168   4.006   4.553
   15   1HB   LEU   3          2HB       LEU   3   2.860   3.366   1.886
   16   2HB   LEU   3          1HB       LEU   3   1.989   3.576   3.404
   17    HG   LEU   3           HG       LEU   3   3.789   5.694   2.192
   18   1HD1  LEU   3          1HD1      LEU   3   1.983   6.624   1.104
   19   2HD1  LEU   3          2HD1      LEU   3   0.819   5.986   2.266
   20   3HD1  LEU   3          3HD1      LEU   3   1.495   4.931   1.025
   21   1HD2  LEU   3          1HD2      LEU   3   1.812   5.653   4.492
   22   2HD2  LEU   3          2HD2      LEU   3   2.466   7.140   3.807
   23   3HD2  LEU   3          3HD2      LEU   3   3.544   5.975   4.575
   24    H    GLY   4           H        GLY   4   4.749   2.215   5.761
   25   1HA   GLY   4          2HA       GLY   4   4.981  -0.441   4.559
   26   2HA   GLY   4          1HA       GLY   4   5.194  -0.054   6.266
   27    H    PHE   5           H        PHE   5   3.882  -1.965   6.739
   28    HA   PHE   5           HA       PHE   5   1.120  -2.167   5.858
   29   1HB   PHE   5          2HB       PHE   5   2.692  -4.014   6.613
   30   2HB   PHE   5          1HB       PHE   5   2.474  -3.428   8.262
   31    HD1  PHE   5           HD1      PHE   5   0.543  -4.584   5.268
   32    HD2  PHE   5           HD2      PHE   5   0.641  -4.150   9.541
   33    HE1  PHE   5           HE1      PHE   5  -1.573  -5.862   5.448
   34    HE2  PHE   5           HE2      PHE   5  -1.475  -5.430   9.718
   35    HZ   PHE   5           HZ       PHE   5  -2.582  -6.286   7.671
   36    H    GLY   6           H        GLY   6  -0.580  -1.012   6.659
   37   1HA   GLY   6          2HA       GLY   6  -1.968  -0.205   8.469
   38   2HA   GLY   6          1HA       GLY   6  -0.536  -0.124   9.496
   39    H    LYS   7           H        LYS   7  -0.967   1.175   6.199
   40    HA   LYS   7           HA       LYS   7  -0.851   3.954   7.286
   41   1HB   LYS   7          2HB       LYS   7   1.253   2.438   5.935
   42   2HB   LYS   7          1HB       LYS   7   0.869   3.929   5.076
   43   1HG   LYS   7          2HG       LYS   7   1.461   5.285   6.881
   44   2HG   LYS   7          1HG       LYS   7   1.215   3.996   8.060
   45   1HD   LYS   7          2HD       LYS   7   3.193   2.803   7.080
   46   2HD   LYS   7          1HD       LYS   7   3.475   4.211   6.057
   47   1HE   LYS   7          2HE       LYS   7   3.369   5.507   8.384
   48   2HE   LYS   7          1HE       LYS   7   3.853   3.920   9.013
   49   1HZ   LYS   7          1HZ       LYS   7   5.790   5.231   8.359
   50   2HZ   LYS   7          2HZ       LYS   7   5.181   5.368   6.778
   51   3HZ   LYS   7          3HZ       LYS   7   5.639   3.848   7.389
   52    H    GLY   8           H        GLY   8  -2.243   5.270   6.148
   53   1HA   GLY   8          2HA       GLY   8  -3.913   4.209   4.069
   54   2HA   GLY   8          1HA       GLY   8  -3.851   5.899   4.560
   55    H    CYS   9           H        CYS   9  -3.814   4.439   1.846
   56    HA   CYS   9           HA       CYS   9  -1.701   6.153   0.637
   57   1HB   CYS   9          2HB       CYS   9  -0.940   4.155  -0.696
   58   2HB   CYS   9          1HB       CYS   9  -0.623   4.006   1.031
   59    H    ASN  10           H        ASN  10  -1.929   5.742  -1.948
   60    HA   ASN  10           HA       ASN  10  -4.859   5.962  -2.550
   61   1HB   ASN  10          2HB       ASN  10  -2.362   7.297  -3.427
   62   2HB   ASN  10          1HB       ASN  10  -3.536   6.990  -4.707
   63   1HD2  ASN  10          1HD2      ASN  10  -2.886   8.909  -1.847
   64   2HD2  ASN  10          2HD2      ASN  10  -4.302   9.841  -1.915
   65    HA   PRO  11           HA       PRO  11  -4.530   2.257  -4.939
   66   1HB   PRO  11          2HB       PRO  11  -6.672   2.626  -6.611
   67   2HB   PRO  11          1HB       PRO  11  -6.840   2.164  -4.905
   68   1HG   PRO  11          2HG       PRO  11  -7.157   4.834  -6.181
   69   2HG   PRO  11          1HG       PRO  11  -8.092   4.087  -4.877
   70   1HD   PRO  11          2HD       PRO  11  -6.177   5.975  -4.451
   71   2HD   PRO  11          1HD       PRO  11  -6.600   4.724  -3.261
   72    H    SER  12           H        SER  12  -5.157   5.271  -6.801
   73    HA   SER  12           HA       SER  12  -4.030   4.309  -9.280
   74   1HB   SER  12          2HB       SER  12  -4.056   6.767  -9.815
   75   2HB   SER  12          1HB       SER  12  -5.585   6.189  -9.162
   76    HG   SER  12           HG       SER  12  -5.291   7.397  -7.458
   77    H    ASN  13           H        ASN  13  -2.704   6.221  -6.569
   78    HA   ASN  13           HA       ASN  13   0.043   5.827  -7.707
   79   1HB   ASN  13          2HB       ASN  13  -1.064   8.170  -7.364
   80   2HB   ASN  13          1HB       ASN  13  -0.771   7.884  -5.648
   81   1HD2  ASN  13          1HD2      ASN  13   0.746   8.765  -8.667
   82   2HD2  ASN  13          2HD2      ASN  13   2.328   8.892  -8.065
   83    H    ASP  14           H        ASP  14  -0.350   3.612  -6.569
   84    HA   ASP  14           HA       ASP  14  -0.531   3.371  -3.734
   85   1HB   ASP  14          2HB       ASP  14   0.230   1.089  -4.144
   86   2HB   ASP  14          1HB       ASP  14  -0.848   1.571  -5.452
   87    H    GLN  15           H        GLN  15   0.967   3.605  -2.125
   88    HA   GLN  15           HA       GLN  15   3.839   4.028  -2.900
   89   1HB   GLN  15          2HB       GLN  15   2.247   6.027  -2.237
   90   2HB   GLN  15          1HB       GLN  15   2.505   5.433  -0.598
   91   1HG   GLN  15          2HG       GLN  15   4.999   5.524  -1.070
   92   2HG   GLN  15          1HG       GLN  15   4.606   6.380  -2.562
   93   1HE2  GLN  15          1HE2      GLN  15   3.584   8.539  -2.355
   94   2HE2  GLN  15          2HE2      GLN  15   3.712   9.412  -0.906
   95    H    CYS  16           H        CYS  16   2.511   1.562  -1.937
   96    HA   CYS  16           HA       CYS  16   3.130   1.232   0.896
   97   1HB   CYS  16          2HB       CYS  16   2.481  -0.684  -1.367
   98   2HB   CYS  16          1HB       CYS  16   2.587  -1.159   0.327
   99    H    CYS  17           H        CYS  17   4.824  -0.181   1.725
  100    HA   CYS  17           HA       CYS  17   7.379   0.142   0.368
  101   1HB   CYS  17          2HB       CYS  17   6.407  -1.262   2.868
  102   2HB   CYS  17          1HB       CYS  17   8.102  -1.282   2.385
  103    H    LYS  18           H        LYS  18   8.501  -1.354  -0.836
  104    HA   LYS  18           HA       LYS  18   7.075  -3.801  -1.677
  105   1HB   LYS  18          2HB       LYS  18   8.857  -3.871  -3.373
  106   2HB   LYS  18          1HB       LYS  18   8.167  -2.253  -3.279
  107   1HG   LYS  18          2HG       LYS  18  10.067  -1.344  -2.328
  108   2HG   LYS  18          1HG       LYS  18  10.527  -2.854  -1.543
  109   1HD   LYS  18          2HD       LYS  18  12.116  -2.636  -3.269
  110   2HD   LYS  18          1HD       LYS  18  10.921  -3.737  -3.955
  111   1HE   LYS  18          2HE       LYS  18  10.076  -2.126  -5.416
  112   2HE   LYS  18          1HE       LYS  18  10.575  -0.777  -4.377
  113   1HZ   LYS  18          1HZ       LYS  18  12.038  -1.065  -6.327
  114   2HZ   LYS  18          2HZ       LYS  18  12.453  -2.615  -5.772
  115   3HZ   LYS  18          3HZ       LYS  18  12.869  -1.241  -4.860
  116    H    SER  19           H        SER  19   9.010  -3.163   0.939
  117    HA   SER  19           HA       SER  19  11.000  -5.222   0.894
  118   1HB   SER  19          2HB       SER  19   9.485  -3.742   3.051
  119   2HB   SER  19          1HB       SER  19  10.736  -4.917   3.444
  120    HG   SER  19           HG       SER  19  11.644  -2.863   3.286
  121    H    SER  20           H        SER  20   7.664  -5.213   2.222
  122    HA   SER  20           HA       SER  20   7.816  -8.202   2.422
  123   1HB   SER  20          2HB       SER  20   6.043  -7.911   4.119
  124   2HB   SER  20          1HB       SER  20   7.448  -6.930   4.513
  125    HG   SER  20           HG       SER  20   6.187  -5.264   4.407
  126    H    ASN  21           H        ASN  21   7.089  -6.441  -0.003
  127    HA   ASN  21           HA       ASN  21   5.525  -6.487  -1.760
  128   1HB   ASN  21          2HB       ASN  21   5.916  -9.042  -0.756
  129   2HB   ASN  21          1HB       ASN  21   4.161  -8.895  -0.757
  130   1HD2  ASN  21          1HD2      ASN  21   5.480 -10.679  -2.562
  131   2HD2  ASN  21          2HD2      ASN  21   5.284 -10.093  -4.142
  132    H    LEU  22           H        LEU  22   4.549  -4.571  -0.493
  133    HA   LEU  22           HA       LEU  22   1.871  -5.246   0.670
  134   1HB   LEU  22          2HB       LEU  22   3.743  -2.872   0.877
  135   2HB   LEU  22          1HB       LEU  22   2.104  -2.845   1.523
  136    HG   LEU  22           HG       LEU  22   4.191  -4.914   2.276
  137   1HD1  LEU  22          1HD1      LEU  22   4.260  -3.656   4.445
  138   2HD1  LEU  22          2HD1      LEU  22   3.287  -2.391   3.695
  139   3HD1  LEU  22          3HD1      LEU  22   4.906  -2.736   3.086
  140   1HD2  LEU  22          1HD2      LEU  22   1.962  -5.765   2.612
  141   2HD2  LEU  22          2HD2      LEU  22   1.420  -4.236   3.305
  142   3HD2  LEU  22          3HD2      LEU  22   2.553  -5.254   4.193
  143    H    VAL  23           H        VAL  23   0.006  -4.275  -0.192
  144    HA   VAL  23           HA       VAL  23   0.352  -2.617  -2.671
  145    HB   VAL  23           HB       VAL  23  -1.717  -3.883  -3.475
  146   1HG1  VAL  23          1HG1      VAL  23   0.739  -5.576  -2.942
  147   2HG1  VAL  23          2HG1      VAL  23   0.624  -4.366  -4.220
  148   3HG1  VAL  23          3HG1      VAL  23  -0.424  -5.784  -4.251
  149   1HG2  VAL  23          1HG2      VAL  23  -2.331  -5.932  -2.396
  150   2HG2  VAL  23          2HG2      VAL  23  -2.261  -4.718  -1.119
  151   3HG2  VAL  23          3HG2      VAL  23  -0.936  -5.864  -1.319
  152    H    CYS  24           H        CYS  24  -1.253  -0.988  -2.970
  153    HA   CYS  24           HA       CYS  24  -2.546  -0.045  -0.519
  154   1HB   CYS  24          2HB       CYS  24  -1.413   1.296  -2.403
  155   2HB   CYS  24          1HB       CYS  24  -2.881   1.006  -3.337
  156    H    SER  25           H        SER  25  -4.693  -0.275   0.016
  157    HA   SER  25           HA       SER  25  -6.427  -1.879  -1.811
  158   1HB   SER  25          2HB       SER  25  -5.871  -2.498   0.610
  159   2HB   SER  25          1HB       SER  25  -6.853  -1.118   1.093
  160    HG   SER  25           HG       SER  25  -7.589  -3.548  -0.071
  161    H    ARG  26           H        ARG  26  -8.764  -1.217  -1.904
  162    HA   ARG  26           HA       ARG  26  -9.022   1.761  -2.032
  163   1HB   ARG  26          2HB       ARG  26  -9.750  -0.477  -3.689
  164   2HB   ARG  26          1HB       ARG  26 -11.216   0.391  -3.231
  165   1HG   ARG  26          2HG       ARG  26  -9.242   2.347  -3.854
  166   2HG   ARG  26          1HG       ARG  26  -9.222   1.152  -5.152
  167   1HD   ARG  26          2HD       ARG  26 -11.244   1.834  -5.938
  168   2HD   ARG  26          1HD       ARG  26 -11.948   1.872  -4.310
  169    HE   ARG  26           HE       ARG  26 -10.035   4.030  -5.036
  170   1HH1  ARG  26          2HH1      ARG  26 -11.891   4.045  -2.621
  171   2HH1  ARG  26          1HH1      ARG  26 -13.126   5.138  -3.150
  172   1HH2  ARG  26          1HH2      ARG  26 -12.212   4.974  -6.497
  173   2HH2  ARG  26          2HH2      ARG  26 -13.308   5.665  -5.348
  174    H    ALA  27           H        ALA  27 -10.537  -1.158  -0.676
  175    HA   ALA  27           HA       ALA  27 -12.939  -0.051   0.348
  176   1HB   ALA  27          1HB       ALA  27 -11.108  -2.216   1.434
  177   2HB   ALA  27          2HB       ALA  27 -12.407  -2.447   0.264
  178   3HB   ALA  27          3HB       ALA  27 -12.787  -1.985   1.923
  179    H    HIS  28           H        HIS  28  -9.760  -0.372   1.952
  180    HA   HIS  28           HA       HIS  28 -10.680   1.556   4.052
  181   1HB   HIS  28          2HB       HIS  28  -8.663  -0.678   3.906
  182   2HB   HIS  28          1HB       HIS  28  -8.548   0.544   5.172
  183    HD1  HIS  28           HD1      HIS  28 -11.246   0.991   6.188
  184    HD2  HIS  28           HD2      HIS  28 -10.099  -2.804   4.898
  185    HE1  HIS  28           HE1      HIS  28 -12.841  -0.647   7.276
  186    H    ARG  29           H        ARG  29  -8.740   1.412   1.249
  187    HA   ARG  29           HA       ARG  29  -7.148   2.887   0.337
  188   1HB   ARG  29          2HB       ARG  29  -9.110   4.353   1.287
  189   2HB   ARG  29          1HB       ARG  29  -7.929   4.819   2.512
  190   1HG   ARG  29          2HG       ARG  29  -6.381   5.580   0.784
  191   2HG   ARG  29          1HG       ARG  29  -7.482   5.031  -0.480
  192   1HD   ARG  29          2HD       ARG  29  -9.224   6.615   0.520
  193   2HD   ARG  29          1HD       ARG  29  -7.902   7.302   1.483
  194    HE   ARG  29           HE       ARG  29  -6.762   7.405  -0.942
  195   1HH1  ARG  29          2HH1      ARG  29  -9.393   6.969  -2.304
  196   2HH1  ARG  29          1HH1      ARG  29  -9.953   8.589  -2.551
  197   1HH2  ARG  29          1HH2      ARG  29  -7.740   9.984  -0.264
  198   2HH2  ARG  29          2HH2      ARG  29  -9.015  10.301  -1.393
  199    H    TRP  30           H        TRP  30  -5.861   1.069   1.840
  200    HA   TRP  30           HA       TRP  30  -3.704   2.643   3.128
  201   1HB   TRP  30          2HB       TRP  30  -3.894   1.532   5.229
  202   2HB   TRP  30          1HB       TRP  30  -5.540   1.989   4.803
  203    HD1  TRP  30           HD1      TRP  30  -6.711  -0.132   3.149
  204    HE1  TRP  30           HE1      TRP  30  -6.848  -2.614   3.832
  205    HE3  TRP  30           HE3      TRP  30  -3.004  -0.282   6.655
  206    HZ2  TRP  30           HZ2      TRP  30  -5.555  -4.422   5.632
  207    HZ3  TRP  30           HZ3      TRP  30  -2.479  -2.395   7.839
  208    HH2  TRP  30           HH2      TRP  30  -3.749  -4.462   7.331
  209    H    CYS  31           H        CYS  31  -1.866   1.048   3.796
  210    HA   CYS  31           HA       CYS  31  -1.325  -0.696   1.485
  211   1HB   CYS  31          2HB       CYS  31   0.192   0.337   3.880
  212   2HB   CYS  31          1HB       CYS  31   0.881  -0.922   2.854
  213    H    LYS  32           H        LYS  32  -1.814  -2.826   1.502
  214    HA   LYS  32           HA       LYS  32  -1.926  -4.277   4.128
  215   1HB   LYS  32          2HB       LYS  32  -3.792  -5.576   3.066
  216   2HB   LYS  32          1HB       LYS  32  -4.162  -3.861   3.229
  217   1HG   LYS  32          2HG       LYS  32  -3.879  -3.449   0.932
  218   2HG   LYS  32          1HG       LYS  32  -2.923  -4.911   0.692
  219   1HD   LYS  32          2HD       LYS  32  -5.586  -5.507   1.732
  220   2HD   LYS  32          1HD       LYS  32  -5.653  -4.640   0.198
  221   1HE   LYS  32          2HE       LYS  32  -3.595  -6.720   0.173
  222   2HE   LYS  32          1HE       LYS  32  -5.213  -7.377   0.481
  223   1HZ   LYS  32          1HZ       LYS  32  -4.554  -5.440  -1.678
  224   2HZ   LYS  32          2HZ       LYS  32  -6.065  -6.167  -1.400
  225   3HZ   LYS  32          3HZ       LYS  32  -4.747  -7.109  -1.910
  226    H    TYR  33           H        TYR  33  -1.736  -6.760   3.684
  227    HA   TYR  33           HA       TYR  33   0.724  -7.221   2.179
  228   1HB   TYR  33          2HB       TYR  33  -1.091  -8.672   4.031
  229   2HB   TYR  33          1HB       TYR  33  -0.157  -9.682   2.928
  230    HD1  TYR  33           HD1      TYR  33  -0.088  -7.915   6.012
  231    HD2  TYR  33           HD2      TYR  33   2.397  -9.090   2.709
  232    HE1  TYR  33           HE1      TYR  33   1.932  -7.580   7.410
  233    HE2  TYR  33           HE2      TYR  33   4.415  -8.755   4.108
  234    HH   TYR  33           HH       TYR  33   4.707  -7.042   6.524
  235    H    GLU  34           H        GLU  34   0.964  -8.429   0.271
  236    HA   GLU  34           HA       GLU  34  -1.235  -8.392  -1.620
  237   1HB   GLU  34          2HB       GLU  34   1.509  -8.430  -1.702
  238   2HB   GLU  34          1HB       GLU  34   1.125 -10.087  -2.169
  239   1HG   GLU  34          2HG       GLU  34  -0.198  -9.367  -4.019
  240   2HG   GLU  34          1HG       GLU  34  -0.232  -7.701  -3.438
  241    H    ILE  35           H        ILE  35  -2.770  -9.952  -1.903
  242    HA   ILE  35           HA       ILE  35  -2.352 -12.631  -0.629
  243    HB   ILE  35           HB       ILE  35  -4.817 -11.067  -1.474
  244   1HG1  ILE  35          2HG1      ILE  35  -4.397 -11.925   1.333
  245   2HG1  ILE  35          1HG1      ILE  35  -3.260 -10.712   0.745
  246   1HG2  ILE  35          1HG2      ILE  35  -5.884 -12.987  -0.004
  247   2HG2  ILE  35          2HG2      ILE  35  -4.446 -13.881  -0.497
  248   3HG2  ILE  35          3HG2      ILE  35  -5.559 -13.259  -1.716
  249   1HD1  ILE  35          1HD1      ILE  35  -5.179  -9.569   1.700
  250   2HD1  ILE  35          2HD1      ILE  35  -6.285 -10.522   0.710
  251   3HD1  ILE  35          3HD1      ILE  35  -5.209  -9.349  -0.050
  252   1HN   NH2  36          1HN       NH2  36  -2.633 -12.252  -4.653
  253   2HN   NH2  36          2HN       NH2  36  -2.171 -11.014  -3.465
  Start of MODEL   18
    1   1H    GLU   1          1H        GLU   1  12.706   8.227   1.732
    2   2H    GLU   1          2H        GLU   1  11.191   8.712   1.139
    3   3H    GLU   1          3H        GLU   1  11.954   7.334   0.502
    4    HA   GLU   1           HA       GLU   1  11.749   6.210   2.661
    5   1HB   GLU   1          2HB       GLU   1  11.021   8.992   3.296
    6   2HB   GLU   1          1HB       GLU   1   9.937   7.802   4.018
    7   1HG   GLU   1          2HG       GLU   1  12.903   7.366   4.185
    8   2HG   GLU   1          1HG       GLU   1  12.137   8.510   5.287
    9    H    CYS   2           H        CYS   2  10.140   4.688   2.477
   10    HA   CYS   2           HA       CYS   2   7.603   5.488   1.081
   11   1HB   CYS   2          2HB       CYS   2   7.672   3.183   0.135
   12   2HB   CYS   2          1HB       CYS   2   9.092   4.123  -0.309
   13    H    LEU   3           H        LEU   3   5.806   3.803   1.575
   14    HA   LEU   3           HA       LEU   3   5.722   3.390   4.526
   15   1HB   LEU   3          2HB       LEU   3   3.642   3.382   2.312
   16   2HB   LEU   3          1HB       LEU   3   3.266   3.109   4.012
   17    HG   LEU   3           HG       LEU   3   4.814   5.559   3.200
   18   1HD1  LEU   3          1HD1      LEU   3   2.069   6.238   3.505
   19   2HD1  LEU   3          2HD1      LEU   3   2.146   4.922   2.333
   20   3HD1  LEU   3          3HD1      LEU   3   3.067   6.401   2.061
   21   1HD2  LEU   3          1HD2      LEU   3   3.587   6.448   5.214
   22   2HD2  LEU   3          2HD2      LEU   3   4.654   5.090   5.575
   23   3HD2  LEU   3          3HD2      LEU   3   2.913   4.835   5.451
   24    H    GLY   4           H        GLY   4   6.312   1.352   5.203
   25   1HA   GLY   4          2HA       GLY   4   6.267  -0.930   3.370
   26   2HA   GLY   4          1HA       GLY   4   6.783  -0.967   5.055
   27    H    PHE   5           H        PHE   5   5.501  -2.973   5.229
   28    HA   PHE   5           HA       PHE   5   2.644  -3.018   4.808
   29   1HB   PHE   5          2HB       PHE   5   4.388  -4.923   5.033
   30   2HB   PHE   5          1HB       PHE   5   4.199  -4.711   6.773
   31    HD1  PHE   5           HD1      PHE   5   1.878  -4.768   3.806
   32    HD2  PHE   5           HD2      PHE   5   2.755  -6.255   7.740
   33    HE1  PHE   5           HE1      PHE   5  -0.186  -6.139   3.749
   34    HE2  PHE   5           HE2      PHE   5   0.688  -7.624   7.681
   35    HZ   PHE   5           HZ       PHE   5  -0.781  -7.567   5.685
   36    H    GLY   6           H        GLY   6   0.968  -2.631   6.269
   37   1HA   GLY   6          2HA       GLY   6  -0.094  -1.979   8.276
   38   2HA   GLY   6          1HA       GLY   6   1.460  -2.117   9.102
   39    H    LYS   7           H        LYS   7   0.775  -0.163   6.216
   40    HA   LYS   7           HA       LYS   7   1.052   2.330   7.847
   41   1HB   LYS   7          2HB       LYS   7   2.733   1.307   5.563
   42   2HB   LYS   7          1HB       LYS   7   2.582   3.041   5.835
   43   1HG   LYS   7          2HG       LYS   7   3.265   1.254   8.148
   44   2HG   LYS   7          1HG       LYS   7   4.528   1.699   7.002
   45   1HD   LYS   7          2HD       LYS   7   4.369   3.979   7.511
   46   2HD   LYS   7          1HD       LYS   7   2.738   3.820   8.165
   47   1HE   LYS   7          2HE       LYS   7   3.634   2.553  10.098
   48   2HE   LYS   7          1HE       LYS   7   5.275   2.740   9.450
   49   1HZ   LYS   7          1HZ       LYS   7   4.991   5.137   9.483
   50   2HZ   LYS   7          2HZ       LYS   7   4.743   4.502  11.039
   51   3HZ   LYS   7          3HZ       LYS   7   3.415   4.972  10.089
   52    H    GLY   8           H        GLY   8  -0.497   3.796   7.234
   53   1HA   GLY   8          2HA       GLY   8  -2.440   3.240   5.229
   54   2HA   GLY   8          1HA       GLY   8  -2.199   4.815   5.986
   55    H    CYS   9           H        CYS   9  -2.715   4.094   3.125
   56    HA   CYS   9           HA       CYS   9  -0.434   5.629   1.952
   57   1HB   CYS   9          2HB       CYS   9  -0.437   3.999   0.055
   58   2HB   CYS   9          1HB       CYS   9  -0.002   3.245   1.588
   59    H    ASN  10           H        ASN  10  -1.138   6.024  -0.541
   60    HA   ASN  10           HA       ASN  10  -3.986   6.975  -0.481
   61   1HB   ASN  10          2HB       ASN  10  -1.591   8.386  -0.683
   62   2HB   ASN  10          1HB       ASN  10  -2.149   8.288  -2.353
   63   1HD2  ASN  10          1HD2      ASN  10  -4.304   9.233  -2.848
   64   2HD2  ASN  10          2HD2      ASN  10  -4.997  10.375  -1.802
   65    HA   PRO  11           HA       PRO  11  -4.465   4.254  -3.955
   66   1HB   PRO  11          2HB       PRO  11  -6.908   5.171  -4.795
   67   2HB   PRO  11          1HB       PRO  11  -6.702   4.114  -3.384
   68   1HG   PRO  11          2HG       PRO  11  -7.111   7.060  -3.495
   69   2HG   PRO  11          1HG       PRO  11  -7.764   5.870  -2.359
   70   1HD   PRO  11          2HD       PRO  11  -5.665   7.504  -1.773
   71   2HD   PRO  11          1HD       PRO  11  -5.886   5.897  -1.047
   72    H    SER  12           H        SER  12  -5.262   7.732  -4.367
   73    HA   SER  12           HA       SER  12  -4.723   7.721  -7.232
   74   1HB   SER  12          2HB       SER  12  -6.219   9.276  -5.818
   75   2HB   SER  12          1HB       SER  12  -4.728  10.084  -5.341
   76    HG   SER  12           HG       SER  12  -5.792  10.978  -7.226
   77    H    ASN  13           H        ASN  13  -2.925   8.722  -4.309
   78    HA   ASN  13           HA       ASN  13  -0.476   9.106  -5.990
   79   1HB   ASN  13          2HB       ASN  13  -1.622  10.870  -4.351
   80   2HB   ASN  13          1HB       ASN  13  -0.721   9.975  -3.128
   81   1HD2  ASN  13          1HD2      ASN  13  -0.407  12.164  -5.872
   82   2HD2  ASN  13          2HD2      ASN  13   1.267  12.403  -5.727
   83    H    ASP  14           H        ASP  14  -0.613   6.561  -5.844
   84    HA   ASP  14           HA       ASP  14  -0.084   5.145  -3.431
   85   1HB   ASP  14          2HB       ASP  14  -0.730   4.327  -5.776
   86   2HB   ASP  14          1HB       ASP  14   0.979   4.470  -6.186
   87    H    GLN  15           H        GLN  15   1.683   5.246  -2.123
   88    HA   GLN  15           HA       GLN  15   4.373   5.698  -3.331
   89   1HB   GLN  15          2HB       GLN  15   2.895   7.725  -2.224
   90   2HB   GLN  15          1HB       GLN  15   3.805   7.162  -0.821
   91   1HG   GLN  15          2HG       GLN  15   5.764   7.966  -1.628
   92   2HG   GLN  15          1HG       GLN  15   5.435   7.370  -3.254
   93   1HE2  GLN  15          1HE2      GLN  15   4.359   8.813  -4.760
   94   2HE2  GLN  15          2HE2      GLN  15   4.113  10.456  -4.409
   95    H    CYS  16           H        CYS  16   3.345   3.238  -2.366
   96    HA   CYS  16           HA       CYS  16   4.281   2.857   0.412
   97   1HB   CYS  16          2HB       CYS  16   2.534   1.595  -1.503
   98   2HB   CYS  16          1HB       CYS  16   3.697   0.407  -0.914
   99    H    CYS  17           H        CYS  17   5.749   0.825   0.739
  100    HA   CYS  17           HA       CYS  17   8.264   1.258  -0.655
  101   1HB   CYS  17          2HB       CYS  17   7.246  -0.810   1.317
  102   2HB   CYS  17          1HB       CYS  17   8.924  -0.725   0.784
  103    H    LYS  18           H        LYS  18   9.003   0.219  -2.460
  104    HA   LYS  18           HA       LYS  18   7.311  -1.853  -3.730
  105   1HB   LYS  18          2HB       LYS  18   9.378   0.120  -4.476
  106   2HB   LYS  18          1HB       LYS  18   9.488  -1.405  -5.356
  107   1HG   LYS  18          2HG       LYS  18   6.895   0.129  -5.056
  108   2HG   LYS  18          1HG       LYS  18   7.989   0.360  -6.420
  109   1HD   LYS  18          2HD       LYS  18   7.560  -2.461  -6.011
  110   2HD   LYS  18          1HD       LYS  18   6.003  -1.641  -6.120
  111   1HE   LYS  18          2HE       LYS  18   7.369  -0.414  -8.154
  112   2HE   LYS  18          1HE       LYS  18   8.049  -2.052  -8.214
  113   1HZ   LYS  18          1HZ       LYS  18   6.005  -1.944  -9.493
  114   2HZ   LYS  18          2HZ       LYS  18   5.155  -1.365  -8.141
  115   3HZ   LYS  18          3HZ       LYS  18   5.789  -2.943  -8.139
  116    H    SER  19           H        SER  19   9.470  -2.135  -1.333
  117    HA   SER  19           HA       SER  19  11.452  -3.986  -2.303
  118   1HB   SER  19          2HB       SER  19  11.418  -2.612  -0.160
  119   2HB   SER  19          1HB       SER  19  10.251  -3.768   0.475
  120    HG   SER  19           HG       SER  19  11.832  -5.111   0.803
  121    H    SER  20           H        SER  20   8.230  -4.444  -0.808
  122    HA   SER  20           HA       SER  20   8.407  -7.371  -1.446
  123   1HB   SER  20          2HB       SER  20   6.988  -5.706   0.624
  124   2HB   SER  20          1HB       SER  20   6.415  -7.327   0.246
  125    HG   SER  20           HG       SER  20   8.096  -7.004   1.974
  126    H    ASN  21           H        ASN  21   7.459  -4.867  -3.130
  127    HA   ASN  21           HA       ASN  21   5.774  -4.408  -4.702
  128   1HB   ASN  21          2HB       ASN  21   6.630  -6.814  -5.158
  129   2HB   ASN  21          1HB       ASN  21   5.105  -7.341  -4.444
  130   1HD2  ASN  21          1HD2      ASN  21   6.325  -5.082  -6.988
  131   2HD2  ASN  21          2HD2      ASN  21   4.992  -5.297  -8.017
  132    H    LEU  22           H        LEU  22   4.791  -3.426  -2.514
  133    HA   LEU  22           HA       LEU  22   2.258  -4.797  -1.748
  134   1HB   LEU  22          2HB       LEU  22   3.919  -2.506  -0.689
  135   2HB   LEU  22          1HB       LEU  22   2.289  -2.808  -0.087
  136    HG   LEU  22           HG       LEU  22   4.058  -5.184  -0.230
  137   1HD1  LEU  22          1HD1      LEU  22   4.489  -2.966   1.797
  138   2HD1  LEU  22          2HD1      LEU  22   5.645  -3.486   0.570
  139   3HD1  LEU  22          3HD1      LEU  22   5.202  -4.577   1.883
  140   1HD2  LEU  22          1HD2      LEU  22   2.041  -4.008   1.695
  141   2HD2  LEU  22          2HD2      LEU  22   2.995  -5.436   2.095
  142   3HD2  LEU  22          3HD2      LEU  22   1.888  -5.470   0.722
  143    H    VAL  23           H        VAL  23   0.238  -3.551  -1.782
  144    HA   VAL  23           HA       VAL  23   0.238  -1.282  -3.747
  145    HB   VAL  23           HB       VAL  23  -1.893  -2.275  -4.611
  146   1HG1  VAL  23          1HG1      VAL  23   0.270  -4.373  -4.686
  147   2HG1  VAL  23          2HG1      VAL  23   0.483  -2.814  -5.482
  148   3HG1  VAL  23          3HG1      VAL  23  -0.833  -3.882  -5.971
  149   1HG2  VAL  23          1HG2      VAL  23  -2.383  -3.528  -2.455
  150   2HG2  VAL  23          2HG2      VAL  23  -1.147  -4.690  -2.934
  151   3HG2  VAL  23          3HG2      VAL  23  -2.590  -4.478  -3.926
  152    H    CYS  24           H        CYS  24  -1.640   0.176  -3.491
  153    HA   CYS  24           HA       CYS  24  -2.350   0.533  -0.643
  154   1HB   CYS  24          2HB       CYS  24  -1.541   2.307  -2.340
  155   2HB   CYS  24          1HB       CYS  24  -3.173   2.232  -3.004
  156    H    SER  25           H        SER  25  -4.309  -0.079   0.182
  157    HA   SER  25           HA       SER  25  -6.356  -1.214  -1.633
  158   1HB   SER  25          2HB       SER  25  -7.252  -2.116   0.413
  159   2HB   SER  25          1HB       SER  25  -5.501  -2.255   0.519
  160    HG   SER  25           HG       SER  25  -6.836  -1.266   2.343
  161    H    ARG  26           H        ARG  26  -8.736  -0.671  -0.570
  162    HA   ARG  26           HA       ARG  26  -8.952   2.325  -0.593
  163   1HB   ARG  26          2HB       ARG  26 -10.318   0.103  -1.996
  164   2HB   ARG  26          1HB       ARG  26 -11.392   1.369  -1.395
  165   1HG   ARG  26          2HG       ARG  26  -8.946   2.378  -2.699
  166   2HG   ARG  26          1HG       ARG  26 -10.027   1.489  -3.774
  167   1HD   ARG  26          2HD       ARG  26 -11.138   3.597  -1.918
  168   2HD   ARG  26          1HD       ARG  26 -10.439   4.048  -3.487
  169    HE   ARG  26           HE       ARG  26 -12.176   1.834  -3.919
  170   1HH1  ARG  26          2HH1      ARG  26 -14.030   3.134  -2.081
  171   2HH1  ARG  26          1HH1      ARG  26 -14.846   4.293  -3.076
  172   1HH2  ARG  26          1HH2      ARG  26 -12.457   4.194  -5.601
  173   2HH2  ARG  26          2HH2      ARG  26 -13.951   4.896  -5.076
  174    H    ALA  27           H        ALA  27 -10.482  -0.668   0.670
  175    HA   ALA  27           HA       ALA  27 -12.311   0.596   2.469
  176   1HB   ALA  27          1HB       ALA  27 -12.444  -1.747   1.770
  177   2HB   ALA  27          2HB       ALA  27 -12.316  -1.664   3.526
  178   3HB   ALA  27          3HB       ALA  27 -10.903  -2.089   2.558
  179    H    HIS  28           H        HIS  28  -9.022  -0.678   3.020
  180    HA   HIS  28           HA       HIS  28  -8.980   0.620   5.708
  181   1HB   HIS  28          2HB       HIS  28  -7.224  -1.431   4.323
  182   2HB   HIS  28          1HB       HIS  28  -6.927  -0.822   5.952
  183    HD1  HIS  28           HD1      HIS  28  -9.753  -0.776   7.103
  184    HD2  HIS  28           HD2      HIS  28  -8.298  -3.944   4.814
  185    HE1  HIS  28           HE1      HIS  28 -11.165  -2.793   7.694
  186    H    ARG  29           H        ARG  29  -7.725   0.989   2.483
  187    HA   ARG  29           HA       ARG  29  -6.206   2.518   1.538
  188   1HB   ARG  29          2HB       ARG  29  -7.929   3.769   3.323
  189   2HB   ARG  29          1HB       ARG  29  -6.344   4.370   3.810
  190   1HG   ARG  29          2HG       ARG  29  -5.934   5.368   1.743
  191   2HG   ARG  29          1HG       ARG  29  -7.053   4.301   0.893
  192   1HD   ARG  29          2HD       ARG  29  -8.947   5.422   2.150
  193   2HD   ARG  29          1HD       ARG  29  -7.761   6.606   2.735
  194    HE   ARG  29           HE       ARG  29  -7.996   6.109  -0.201
  195   1HH1  ARG  29          1HH2      ARG  29 -10.170   7.900   0.616
  196   2HH1  ARG  29          2HH2      ARG  29  -9.439   9.469   0.565
  197   1HH2  ARG  29          2HH1      ARG  29  -6.187   8.242   0.583
  198   2HH2  ARG  29          1HH1      ARG  29  -7.175   9.664   0.546
  199    H    TRP  30           H        TRP  30  -4.701   0.586   2.494
  200    HA   TRP  30           HA       TRP  30  -2.390   1.972   3.738
  201   1HB   TRP  30          2HB       TRP  30  -2.271   0.446   5.589
  202   2HB   TRP  30          1HB       TRP  30  -3.946   0.986   5.515
  203    HD1  TRP  30           HD1      TRP  30  -5.449  -0.746   3.716
  204    HE1  TRP  30           HE1      TRP  30  -5.555  -3.317   3.876
  205    HE3  TRP  30           HE3      TRP  30  -1.215  -1.629   6.418
  206    HZ2  TRP  30           HZ2      TRP  30  -4.043  -5.464   5.006
  207    HZ3  TRP  30           HZ3      TRP  30  -0.570  -3.945   7.024
  208    HH2  TRP  30           HH2      TRP  30  -1.979  -5.859   6.323
  209    H    CYS  31           H        CYS  31  -0.533   0.192   3.936
  210    HA   CYS  31           HA       CYS  31  -0.109  -0.880   1.255
  211   1HB   CYS  31          2HB       CYS  31   1.420  -0.005   3.405
  212   2HB   CYS  31          1HB       CYS  31   1.700  -1.746   3.395
  213    H    LYS  32           H        LYS  32  -1.143  -2.752   0.677
  214    HA   LYS  32           HA       LYS  32  -1.214  -5.004   2.664
  215   1HB   LYS  32          2HB       LYS  32  -3.380  -5.604   1.615
  216   2HB   LYS  32          1HB       LYS  32  -3.420  -3.967   2.266
  217   1HG   LYS  32          2HG       LYS  32  -3.757  -3.061   0.224
  218   2HG   LYS  32          1HG       LYS  32  -2.465  -4.019  -0.496
  219   1HD   LYS  32          2HD       LYS  32  -3.886  -5.753  -1.081
  220   2HD   LYS  32          1HD       LYS  32  -5.022  -5.401   0.221
  221   1HE   LYS  32          2HE       LYS  32  -6.090  -3.713  -0.981
  222   2HE   LYS  32          1HE       LYS  32  -4.658  -3.373  -1.971
  223   1HZ   LYS  32          1HZ       LYS  32  -6.209  -5.907  -2.068
  224   2HZ   LYS  32          2HZ       LYS  32  -4.906  -5.477  -3.071
  225   3HZ   LYS  32          3HZ       LYS  32  -6.381  -4.640  -3.181
  226    H    TYR  33           H        TYR  33  -1.387  -7.183   1.515
  227    HA   TYR  33           HA       TYR  33   0.576  -7.279  -0.706
  228   1HB   TYR  33          2HB       TYR  33  -0.555  -9.084   1.374
  229   2HB   TYR  33          1HB       TYR  33  -0.038  -9.854  -0.127
  230    HD1  TYR  33           HD1      TYR  33   1.081  -7.601   2.624
  231    HD2  TYR  33           HD2      TYR  33   2.269 -10.143  -0.631
  232    HE1  TYR  33           HE1      TYR  33   3.444  -7.426   3.349
  233    HE2  TYR  33           HE2      TYR  33   4.633  -9.968   0.096
  234    HH   TYR  33           HH       TYR  33   5.723  -7.655   2.269
  235    H    GLU  34           H        GLU  34   0.074  -8.849  -2.533
  236    HA   GLU  34           HA       GLU  34  -2.769  -8.500  -3.418
  237   1HB   GLU  34          2HB       GLU  34  -0.646  -7.530  -4.607
  238   2HB   GLU  34          1HB       GLU  34  -0.413  -9.185  -5.170
  239   1HG   GLU  34          2HG       GLU  34  -2.361  -9.172  -6.447
  240   2HG   GLU  34          1HG       GLU  34  -3.115  -7.913  -5.468
  241    H    ILE  35           H        ILE  35  -3.956 -10.323  -3.978
  242    HA   ILE  35           HA       ILE  35  -2.883 -12.957  -3.226
  243    HB   ILE  35           HB       ILE  35  -5.552 -12.023  -4.351
  244   1HG1  ILE  35          2HG1      ILE  35  -5.000 -12.909  -1.523
  245   2HG1  ILE  35          1HG1      ILE  35  -4.672 -11.246  -2.010
  246   1HG2  ILE  35          1HG2      ILE  35  -6.406 -14.201  -3.573
  247   2HG2  ILE  35          2HG2      ILE  35  -4.782 -14.666  -3.065
  248   3HG2  ILE  35          3HG2      ILE  35  -5.135 -14.428  -4.777
  249   1HD1  ILE  35          1HD1      ILE  35  -7.273 -12.645  -1.689
  250   2HD1  ILE  35          2HD1      ILE  35  -7.148 -11.536  -3.056
  251   3HD1  ILE  35          3HD1      ILE  35  -6.864 -10.951  -1.416
  252   1HN   NH2  36          1HN       NH2  36  -2.801 -12.147  -7.212
  253   2HN   NH2  36          2HN       NH2  36  -2.901 -10.981  -5.874
  Start of MODEL   19
    1   1H    GLU   1          1H        GLU   1  12.381   8.427  -0.166
    2   2H    GLU   1          2H        GLU   1  10.758   8.809  -0.493
    3   3H    GLU   1          3H        GLU   1  11.600   7.732  -1.502
    4    HA   GLU   1           HA       GLU   1  11.779   6.128   0.317
    5   1HB   GLU   1          2HB       GLU   1  10.985   8.563   1.706
    6   2HB   GLU   1          1HB       GLU   1   9.966   7.201   2.172
    7   1HG   GLU   1          2HG       GLU   1  11.991   5.854   2.640
    8   2HG   GLU   1          1HG       GLU   1  12.999   7.234   2.206
    9    H    CYS   2           H        CYS   2   9.934   4.671   0.856
   10    HA   CYS   2           HA       CYS   2   7.466   5.276  -0.749
   11   1HB   CYS   2          2HB       CYS   2   7.529   2.909  -1.424
   12   2HB   CYS   2          1HB       CYS   2   9.051   3.697  -1.837
   13    H    LEU   3           H        LEU   3   5.550   3.967  -0.011
   14    HA   LEU   3           HA       LEU   3   5.477   3.821   2.957
   15   1HB   LEU   3          2HB       LEU   3   3.357   3.677   0.785
   16   2HB   LEU   3          1HB       LEU   3   3.012   3.675   2.514
   17    HG   LEU   3           HG       LEU   3   4.590   5.874   1.156
   18   1HD1  LEU   3          1HD1      LEU   3   1.650   5.890   1.896
   19   2HD1  LEU   3          2HD1      LEU   3   2.251   5.670   0.253
   20   3HD1  LEU   3          3HD1      LEU   3   2.550   7.184   1.107
   21   1HD2  LEU   3          1HD2      LEU   3   3.610   5.282   3.897
   22   2HD2  LEU   3          2HD2      LEU   3   3.413   6.949   3.357
   23   3HD2  LEU   3          3HD2      LEU   3   5.016   6.214   3.383
   24    H    GLY   4           H        GLY   4   5.845   1.855   3.903
   25   1HA   GLY   4          2HA       GLY   4   5.299  -0.615   2.318
   26   2HA   GLY   4          1HA       GLY   4   6.401  -0.520   3.690
   27    H    PHE   5           H        PHE   5   5.229  -2.339   4.625
   28    HA   PHE   5           HA       PHE   5   2.439  -2.384   5.219
   29   1HB   PHE   5          2HB       PHE   5   4.331  -4.177   5.347
   30   2HB   PHE   5          1HB       PHE   5   4.587  -3.563   6.980
   31    HD1  PHE   5           HD1      PHE   5   2.968  -3.943   8.739
   32    HD2  PHE   5           HD2      PHE   5   2.176  -5.225   4.716
   33    HE1  PHE   5           HE1      PHE   5   1.052  -5.293   9.546
   34    HE2  PHE   5           HE2      PHE   5   0.260  -6.574   5.524
   35    HZ   PHE   5           HZ       PHE   5  -0.301  -6.609   7.938
   36    H    GLY   6           H        GLY   6   1.244  -1.464   6.871
   37   1HA   GLY   6          2HA       GLY   6   1.005  -0.605   9.146
   38   2HA   GLY   6          1HA       GLY   6   2.695  -0.102   9.095
   39    H    LYS   7           H        LYS   7   2.866   1.292   6.737
   40    HA   LYS   7           HA       LYS   7   1.511   3.789   7.393
   41   1HB   LYS   7          2HB       LYS   7   3.286   2.835   5.125
   42   2HB   LYS   7          1HB       LYS   7   2.732   4.503   5.279
   43   1HG   LYS   7          2HG       LYS   7   3.683   3.949   7.816
   44   2HG   LYS   7          1HG       LYS   7   4.820   3.086   6.781
   45   1HD   LYS   7          2HD       LYS   7   5.532   5.031   5.710
   46   2HD   LYS   7          1HD       LYS   7   4.044   5.901   6.082
   47   1HE   LYS   7          2HE       LYS   7   4.941   6.722   7.994
   48   2HE   LYS   7          1HE       LYS   7   5.395   5.094   8.531
   49   1HZ   LYS   7          1HZ       LYS   7   6.877   6.721   6.529
   50   2HZ   LYS   7          2HZ       LYS   7   7.307   5.166   7.064
   51   3HZ   LYS   7          3HZ       LYS   7   7.354   6.481   8.138
   52    H    GLY   8           H        GLY   8   0.284   5.001   5.598
   53   1HA   GLY   8          2HA       GLY   8  -1.322   3.138   3.903
   54   2HA   GLY   8          1HA       GLY   8  -2.138   4.315   4.929
   55    H    CYS   9           H        CYS   9  -2.420   4.241   2.104
   56    HA   CYS   9           HA       CYS   9  -1.480   6.977   1.438
   57   1HB   CYS   9          2HB       CYS   9  -0.204   6.304  -0.409
   58   2HB   CYS   9          1HB       CYS   9   0.141   5.019   0.745
   59    H    ASN  10           H        ASN  10  -2.332   7.280  -1.080
   60    HA   ASN  10           HA       ASN  10  -5.223   7.192  -0.915
   61   1HB   ASN  10          2HB       ASN  10  -3.108   8.009  -2.878
   62   2HB   ASN  10          1HB       ASN  10  -4.768   7.862  -3.456
   63   1HD2  ASN  10          1HD2      ASN  10  -6.182   9.587  -2.981
   64   2HD2  ASN  10          2HD2      ASN  10  -5.805  10.865  -1.931
   65    HA   PRO  11           HA       PRO  11  -5.850   3.164  -2.636
   66   1HB   PRO  11          2HB       PRO  11  -8.447   3.456  -3.458
   67   2HB   PRO  11          1HB       PRO  11  -7.985   3.253  -1.756
   68   1HG   PRO  11          2HG       PRO  11  -8.724   5.722  -3.236
   69   2HG   PRO  11          1HG       PRO  11  -9.091   5.249  -1.570
   70   1HD   PRO  11          2HD       PRO  11  -7.129   7.031  -2.253
   71   2HD   PRO  11          1HD       PRO  11  -7.110   6.054  -0.769
   72    H    SER  12           H        SER  12  -7.074   5.918  -4.597
   73    HA   SER  12           HA       SER  12  -6.835   4.477  -7.122
   74   1HB   SER  12          2HB       SER  12  -7.358   6.758  -8.027
   75   2HB   SER  12          1HB       SER  12  -8.478   6.252  -6.768
   76    HG   SER  12           HG       SER  12  -7.837   7.894  -5.636
   77    H    ASN  13           H        ASN  13  -4.981   7.123  -5.567
   78    HA   ASN  13           HA       ASN  13  -2.753   6.650  -7.510
   79   1HB   ASN  13          2HB       ASN  13  -3.525   8.950  -5.683
   80   2HB   ASN  13          1HB       ASN  13  -2.046   8.927  -6.643
   81   1HD2  ASN  13          1HD2      ASN  13  -2.380   8.661  -9.086
   82   2HD2  ASN  13          2HD2      ASN  13  -3.782   9.326  -9.772
   83    H    ASP  14           H        ASP  14  -2.532   4.625  -5.947
   84    HA   ASP  14           HA       ASP  14  -1.361   5.151  -3.321
   85   1HB   ASP  14          2HB       ASP  14  -1.228   2.726  -3.222
   86   2HB   ASP  14          1HB       ASP  14  -2.766   3.167  -3.958
   87    H    GLN  15           H        GLN  15   0.803   5.067  -2.755
   88    HA   GLN  15           HA       GLN  15   2.806   4.630  -4.945
   89   1HB   GLN  15          2HB       GLN  15   2.209   7.056  -4.197
   90   2HB   GLN  15          1HB       GLN  15   3.099   6.661  -2.726
   91   1HG   GLN  15          2HG       GLN  15   5.123   6.297  -3.917
   92   2HG   GLN  15          1HG       GLN  15   4.288   6.219  -5.468
   93   1HE2  GLN  15          1HE2      GLN  15   4.761   8.080  -6.651
   94   2HE2  GLN  15          2HE2      GLN  15   4.849   9.647  -6.006
   95    H    CYS  16           H        CYS  16   2.028   2.598  -3.157
   96    HA   CYS  16           HA       CYS  16   3.750   2.495  -0.804
   97   1HB   CYS  16          2HB       CYS  16   1.720   0.863  -2.201
   98   2HB   CYS  16          1HB       CYS  16   2.943  -0.078  -1.349
   99    H    CYS  17           H        CYS  17   5.342   0.594  -0.581
  100    HA   CYS  17           HA       CYS  17   7.302   0.721  -2.749
  101   1HB   CYS  17          2HB       CYS  17   7.239   0.205   0.019
  102   2HB   CYS  17          1HB       CYS  17   7.776  -1.304  -0.719
  103    H    LYS  18           H        LYS  18   7.425  -0.686  -4.441
  104    HA   LYS  18           HA       LYS  18   5.599  -2.980  -4.617
  105   1HB   LYS  18          2HB       LYS  18   6.380  -3.058  -6.900
  106   2HB   LYS  18          1HB       LYS  18   6.211  -1.358  -6.468
  107   1HG   LYS  18          2HG       LYS  18   8.761  -1.669  -5.734
  108   2HG   LYS  18          1HG       LYS  18   8.692  -2.960  -6.932
  109   1HD   LYS  18          2HD       LYS  18   9.190  -1.261  -8.380
  110   2HD   LYS  18          1HD       LYS  18   7.449  -0.988  -8.312
  111   1HE   LYS  18          2HE       LYS  18   8.597   0.342  -6.057
  112   2HE   LYS  18          1HE       LYS  18   9.541   0.796  -7.489
  113   1HZ   LYS  18          1HZ       LYS  18   7.582   2.203  -7.272
  114   2HZ   LYS  18          2HZ       LYS  18   6.572   0.836  -7.283
  115   3HZ   LYS  18          3HZ       LYS  18   7.472   1.245  -8.666
  116    H    SER  19           H        SER  19   8.753  -2.526  -3.375
  117    HA   SER  19           HA       SER  19  10.090  -4.931  -4.146
  118   1HB   SER  19          2HB       SER  19  10.712  -2.700  -2.769
  119   2HB   SER  19          1HB       SER  19  10.449  -3.790  -1.410
  120    HG   SER  19           HG       SER  19  12.478  -3.704  -3.240
  121    H    SER  20           H        SER  20   7.883  -4.240  -1.414
  122    HA   SER  20           HA       SER  20   7.988  -7.114  -0.609
  123   1HB   SER  20          2HB       SER  20   7.391  -4.490   0.651
  124   2HB   SER  20          1HB       SER  20   6.454  -5.858   1.245
  125    HG   SER  20           HG       SER  20   8.200  -6.657   2.122
  126    H    ASN  21           H        ASN  21   6.387  -5.747  -2.963
  127    HA   ASN  21           HA       ASN  21   4.246  -5.939  -3.932
  128   1HB   ASN  21          2HB       ASN  21   4.675  -8.421  -2.267
  129   2HB   ASN  21          1HB       ASN  21   3.215  -8.230  -3.236
  130   1HD2  ASN  21          1HD2      ASN  21   3.492  -9.378  -5.160
  131   2HD2  ASN  21          2HD2      ASN  21   4.911  -9.384  -6.092
  132    H    LEU  22           H        LEU  22   3.979  -4.052  -2.058
  133    HA   LEU  22           HA       LEU  22   1.657  -4.854  -0.335
  134   1HB   LEU  22          2HB       LEU  22   3.660  -2.579  -0.148
  135   2HB   LEU  22          1HB       LEU  22   2.335  -2.843   0.984
  136    HG   LEU  22           HG       LEU  22   4.436  -4.943   0.409
  137   1HD1  LEU  22          1HD1      LEU  22   4.336  -2.955   2.697
  138   2HD1  LEU  22          2HD1      LEU  22   5.472  -2.883   1.350
  139   3HD1  LEU  22          3HD1      LEU  22   5.530  -4.234   2.483
  140   1HD2  LEU  22          1HD2      LEU  22   2.582  -5.988   1.406
  141   2HD2  LEU  22          2HD2      LEU  22   2.195  -4.577   2.390
  142   3HD2  LEU  22          3HD2      LEU  22   3.582  -5.586   2.802
  143    H    VAL  23           H        VAL  23  -0.286  -3.763  -0.608
  144    HA   VAL  23           HA       VAL  23  -0.340  -1.452  -2.520
  145    HB   VAL  23           HB       VAL  23  -2.389  -2.471  -3.491
  146   1HG1  VAL  23          1HG1      VAL  23  -1.283  -4.165  -4.770
  147   2HG1  VAL  23          2HG1      VAL  23  -0.146  -4.502  -3.465
  148   3HG1  VAL  23          3HG1      VAL  23  -0.046  -2.980  -4.350
  149   1HG2  VAL  23          1HG2      VAL  23  -1.717  -4.796  -1.656
  150   2HG2  VAL  23          2HG2      VAL  23  -2.976  -4.794  -2.889
  151   3HG2  VAL  23          3HG2      VAL  23  -3.112  -3.730  -1.490
  152    H    CYS  24           H        CYS  24  -1.931   0.128  -2.041
  153    HA   CYS  24           HA       CYS  24  -2.813   0.264   0.733
  154   1HB   CYS  24          2HB       CYS  24  -2.999   1.933  -1.757
  155   2HB   CYS  24          1HB       CYS  24  -4.002   2.353  -0.368
  156    H    SER  25           H        SER  25  -4.944   0.026   1.520
  157    HA   SER  25           HA       SER  25  -6.765  -1.566  -0.167
  158   1HB   SER  25          2HB       SER  25  -7.866  -2.018   1.911
  159   2HB   SER  25          1HB       SER  25  -6.146  -1.980   2.280
  160    HG   SER  25           HG       SER  25  -7.730  -0.719   3.637
  161    H    ARG  26           H        ARG  26  -9.271  -0.830   0.573
  162    HA   ARG  26           HA       ARG  26  -9.522   1.939  -0.545
  163   1HB   ARG  26          2HB       ARG  26 -10.641  -0.583  -1.177
  164   2HB   ARG  26          1HB       ARG  26 -11.955   0.372  -0.492
  165   1HG   ARG  26          2HG       ARG  26 -10.602   2.159  -2.168
  166   2HG   ARG  26          1HG       ARG  26 -10.630   0.645  -3.072
  167   1HD   ARG  26          2HD       ARG  26 -12.844   0.875  -3.507
  168   2HD   ARG  26          1HD       ARG  26 -13.204   1.147  -1.791
  169    HE   ARG  26           HE       ARG  26 -12.426   3.269  -3.736
  170   1HH1  ARG  26          2HH1      ARG  26 -11.369   3.966  -1.073
  171   2HH1  ARG  26          1HH1      ARG  26 -12.698   4.788  -0.325
  172   1HH2  ARG  26          1HH2      ARG  26 -15.054   3.588  -2.580
  173   2HH2  ARG  26          2HH2      ARG  26 -14.790   4.573  -1.180
  174    H    ALA  27           H        ALA  27 -10.723  -0.204   2.045
  175    HA   ALA  27           HA       ALA  27 -12.494   1.799   3.204
  176   1HB   ALA  27          1HB       ALA  27 -12.977  -0.530   3.511
  177   2HB   ALA  27          2HB       ALA  27 -12.474   0.071   5.091
  178   3HB   ALA  27          3HB       ALA  27 -11.346  -0.854   4.100
  179    H    HIS  28           H        HIS  28  -9.443   0.334   4.365
  180    HA   HIS  28           HA       HIS  28  -9.060   2.572   6.271
  181   1HB   HIS  28          2HB       HIS  28  -7.636  -0.045   5.704
  182   2HB   HIS  28          1HB       HIS  28  -7.112   1.089   6.949
  183    HD1  HIS  28           HD1      HIS  28  -9.369  -1.705   6.413
  184    HD2  HIS  28           HD2      HIS  28  -9.328   1.634   8.909
  185    HE1  HIS  28           HE1      HIS  28 -11.035  -2.171   8.263
  186    H    ARG  29           H        ARG  29  -8.070   1.738   3.073
  187    HA   ARG  29           HA       ARG  29  -6.456   2.645   1.617
  188   1HB   ARG  29          2HB       ARG  29  -6.894   4.862   3.641
  189   2HB   ARG  29          1HB       ARG  29  -5.990   5.086   2.145
  190   1HG   ARG  29          2HG       ARG  29  -7.923   5.427   1.047
  191   2HG   ARG  29          1HG       ARG  29  -8.425   3.787   1.455
  192   1HD   ARG  29          2HD       ARG  29 -10.128   5.254   2.331
  193   2HD   ARG  29          1HD       ARG  29  -9.164   4.738   3.729
  194    HE   ARG  29           HE       ARG  29  -8.414   7.257   2.318
  195   1HH1  ARG  29          2HH1      ARG  29  -7.133   6.398   4.905
  196   2HH1  ARG  29          1HH1      ARG  29  -7.993   7.354   6.065
  197   1HH2  ARG  29          1HH2      ARG  29 -10.585   8.143   3.892
  198   2HH2  ARG  29          2HH2      ARG  29  -9.950   8.343   5.490
  199    H    TRP  30           H        TRP  30  -5.428   0.920   3.664
  200    HA   TRP  30           HA       TRP  30  -2.822   2.229   4.345
  201   1HB   TRP  30          2HB       TRP  30  -2.845   0.999   6.330
  202   2HB   TRP  30          1HB       TRP  30  -4.565   1.279   6.086
  203    HD1  TRP  30           HD1      TRP  30  -5.631  -0.832   4.345
  204    HE1  TRP  30           HE1      TRP  30  -5.404  -3.358   4.798
  205    HE3  TRP  30           HE3      TRP  30  -1.616  -0.793   7.485
  206    HZ2  TRP  30           HZ2      TRP  30  -3.730  -5.130   6.299
  207    HZ3  TRP  30           HZ3      TRP  30  -0.722  -2.911   8.413
  208    HH2  TRP  30           HH2      TRP  30  -1.775  -5.077   7.824
  209    H    CYS  31           H        CYS  31  -0.897   0.908   4.089
  210    HA   CYS  31           HA       CYS  31  -0.911  -0.719   1.671
  211   1HB   CYS  31          2HB       CYS  31   0.870   0.890   2.910
  212   2HB   CYS  31          1HB       CYS  31   1.419  -0.667   3.529
  213    H    LYS  32           H        LYS  32  -1.171  -2.906   1.572
  214    HA   LYS  32           HA       LYS  32  -0.636  -4.552   4.018
  215   1HB   LYS  32          2HB       LYS  32  -2.771  -5.731   3.552
  216   2HB   LYS  32          1HB       LYS  32  -3.038  -4.015   3.850
  217   1HG   LYS  32          2HG       LYS  32  -3.751  -3.628   1.724
  218   2HG   LYS  32          1HG       LYS  32  -2.534  -4.690   1.020
  219   1HD   LYS  32          2HD       LYS  32  -4.370  -5.993   0.586
  220   2HD   LYS  32          1HD       LYS  32  -4.067  -6.545   2.234
  221   1HE   LYS  32          2HE       LYS  32  -6.299  -5.964   2.469
  222   2HE   LYS  32          1HE       LYS  32  -5.585  -4.369   2.779
  223   1HZ   LYS  32          1HZ       LYS  32  -5.738  -3.866   0.425
  224   2HZ   LYS  32          2HZ       LYS  32  -7.275  -4.264   1.031
  225   3HZ   LYS  32          3HZ       LYS  32  -6.405  -5.394   0.108
  226    H    TYR  33           H        TYR  33  -0.282  -6.862   3.491
  227    HA   TYR  33           HA       TYR  33   1.200  -7.202   0.977
  228   1HB   TYR  33          2HB       TYR  33   1.355  -8.186   3.552
  229   2HB   TYR  33          1HB       TYR  33   0.665  -9.553   2.679
  230    HD1  TYR  33           HD1      TYR  33   3.672  -7.903   3.541
  231    HD2  TYR  33           HD2      TYR  33   1.812 -10.087   0.343
  232    HE1  TYR  33           HE1      TYR  33   5.905  -8.423   2.599
  233    HE2  TYR  33           HE2      TYR  33   4.047 -10.608  -0.599
  234    HH   TYR  33           HH       TYR  33   6.681 -10.645   0.826
  235    H    GLU  34           H        GLU  34  -0.337  -7.209  -0.718
  236    HA   GLU  34           HA       GLU  34  -2.623  -9.113  -0.573
  237   1HB   GLU  34          2HB       GLU  34  -2.685  -6.646  -1.348
  238   2HB   GLU  34          1HB       GLU  34  -1.886  -7.217  -2.813
  239   1HG   GLU  34          2HG       GLU  34  -3.747  -8.336  -3.559
  240   2HG   GLU  34          1HG       GLU  34  -4.280  -8.751  -1.930
  241    H    ILE  35           H        ILE  35  -2.902 -10.729  -2.260
  242    HA   ILE  35           HA       ILE  35  -0.400 -11.967  -3.142
  243    HB   ILE  35           HB       ILE  35  -3.344 -12.577  -3.591
  244   1HG1  ILE  35          2HG1      ILE  35  -1.479 -14.225  -1.921
  245   2HG1  ILE  35          1HG1      ILE  35  -2.067 -12.704  -1.251
  246   1HG2  ILE  35          1HG2      ILE  35  -2.310 -14.919  -4.097
  247   2HG2  ILE  35          2HG2      ILE  35  -0.831 -14.016  -4.427
  248   3HG2  ILE  35          3HG2      ILE  35  -2.287 -13.697  -5.370
  249   1HD1  ILE  35          1HD1      ILE  35  -3.765 -14.995  -2.281
  250   2HD1  ILE  35          2HD1      ILE  35  -4.405 -13.438  -1.754
  251   3HD1  ILE  35          3HD1      ILE  35  -3.587 -14.492  -0.600
  252   1HN   NH2  36          1HN       NH2  36  -0.465 -11.419  -6.722
  253   2HN   NH2  36          2HN       NH2  36  -0.299 -12.761  -5.568
  Start of MODEL   20
    1   1H    GLU   1          1H        GLU   1  13.308   4.222   0.420
    2   2H    GLU   1          2H        GLU   1  13.577   2.574   0.732
    3   3H    GLU   1          3H        GLU   1  14.544   3.751   1.482
    4    HA   GLU   1           HA       GLU   1  12.963   2.952   3.093
    5   1HB   GLU   1          2HB       GLU   1  12.680   5.694   1.875
    6   2HB   GLU   1          1HB       GLU   1  11.720   5.257   3.289
    7   1HG   GLU   1          2HG       GLU   1  13.495   5.636   4.617
    8   2HG   GLU   1          1HG       GLU   1  14.404   4.394   3.757
    9    H    CYS   2           H        CYS   2  10.964   2.004   3.421
   10    HA   CYS   2           HA       CYS   2   8.801   2.515   1.415
   11   1HB   CYS   2          2HB       CYS   2   8.456   0.139   1.188
   12   2HB   CYS   2          1HB       CYS   2  10.182   0.428   0.974
   13    H    LEU   3           H        LEU   3   6.647   1.777   2.232
   14    HA   LEU   3           HA       LEU   3   6.389   2.310   5.156
   15   1HB   LEU   3          2HB       LEU   3   4.481   2.353   2.794
   16   2HB   LEU   3          1HB       LEU   3   3.980   2.675   4.453
   17    HG   LEU   3           HG       LEU   3   6.238   4.205   3.151
   18   1HD1  LEU   3          1HD1      LEU   3   3.290   4.928   3.209
   19   2HD1  LEU   3          2HD1      LEU   3   4.202   4.474   1.770
   20   3HD1  LEU   3          3HD1      LEU   3   4.593   5.965   2.627
   21   1HD2  LEU   3          1HD2      LEU   3   6.188   4.451   5.532
   22   2HD2  LEU   3          2HD2      LEU   3   4.431   4.593   5.551
   23   3HD2  LEU   3          3HD2      LEU   3   5.415   5.900   4.890
   24    H    GLY   4           H        GLY   4   4.819   0.973   6.380
   25   1HA   GLY   4          2HA       GLY   4   4.739  -1.842   5.368
   26   2HA   GLY   4          1HA       GLY   4   4.792  -1.403   7.075
   27    H    PHE   5           H        PHE   5   2.833  -2.678   7.379
   28    HA   PHE   5           HA       PHE   5   0.353  -1.834   6.035
   29   1HB   PHE   5          2HB       PHE   5   0.757  -4.178   6.578
   30   2HB   PHE   5          1HB       PHE   5   1.014  -3.778   8.275
   31    HD1  PHE   5           HD1      PHE   5  -1.547  -3.623   5.551
   32    HD2  PHE   5           HD2      PHE   5  -0.794  -3.708   9.780
   33    HE1  PHE   5           HE1      PHE   5  -3.980  -3.842   5.981
   34    HE2  PHE   5           HE2      PHE   5  -3.226  -3.925  10.209
   35    HZ   PHE   5           HZ       PHE   5  -4.819  -3.992   8.310
   36    H    GLY   6           H        GLY   6  -1.207  -0.487   6.930
   37   1HA   GLY   6          2HA       GLY   6  -2.344   0.468   8.898
   38   2HA   GLY   6          1HA       GLY   6  -0.794   0.448   9.739
   39    H    LYS   7           H        LYS   7   0.861   1.547   7.748
   40    HA   LYS   7           HA       LYS   7   0.390   4.367   8.081
   41   1HB   LYS   7          2HB       LYS   7   2.428   2.592   7.192
   42   2HB   LYS   7          1HB       LYS   7   2.169   3.757   5.894
   43   1HG   LYS   7          2HG       LYS   7   2.425   4.663   8.759
   44   2HG   LYS   7          1HG       LYS   7   3.854   4.385   7.764
   45   1HD   LYS   7          2HD       LYS   7   3.575   6.499   7.009
   46   2HD   LYS   7          1HD       LYS   7   2.192   5.881   6.105
   47   1HE   LYS   7          2HE       LYS   7   1.131   7.558   7.319
   48   2HE   LYS   7          1HE       LYS   7   0.986   6.234   8.490
   49   1HZ   LYS   7          1HZ       LYS   7   1.977   8.177   9.531
   50   2HZ   LYS   7          2HZ       LYS   7   3.208   8.208   8.361
   51   3HZ   LYS   7          3HZ       LYS   7   3.107   6.914   9.458
   52    H    GLY   8           H        GLY   8  -0.506   5.869   6.657
   53   1HA   GLY   8          2HA       GLY   8  -2.181   4.805   4.491
   54   2HA   GLY   8          1HA       GLY   8  -2.152   6.476   5.049
   55    H    CYS   9           H        CYS   9  -1.863   5.167   2.295
   56    HA   CYS   9           HA       CYS   9   0.374   6.891   1.390
   57   1HB   CYS   9          2HB       CYS   9   1.390   4.984   0.166
   58   2HB   CYS   9          1HB       CYS   9   1.368   4.687   1.904
   59    H    ASN  10           H        ASN  10   0.144   7.483  -0.837
   60    HA   ASN  10           HA       ASN  10  -2.587   7.182  -1.900
   61   1HB   ASN  10          2HB       ASN  10  -1.892   8.929  -3.415
   62   2HB   ASN  10          1HB       ASN  10  -1.239   9.320  -1.828
   63   1HD2  ASN  10          1HD2      ASN  10  -0.253   9.939  -4.691
   64   2HD2  ASN  10          2HD2      ASN  10   1.369   9.441  -4.679
   65    HA   PRO  11           HA       PRO  11  -1.672   3.940  -4.727
   66   1HB   PRO  11          2HB       PRO  11  -3.496   4.482  -6.694
   67   2HB   PRO  11          1HB       PRO  11  -3.944   3.803  -5.116
   68   1HG   PRO  11          2HG       PRO  11  -4.142   6.606  -6.098
   69   2HG   PRO  11          1HG       PRO  11  -5.259   5.684  -5.079
   70   1HD   PRO  11          2HD       PRO  11  -3.516   7.543  -4.107
   71   2HD   PRO  11          1HD       PRO  11  -4.107   6.160  -3.161
   72    H    SER  12           H        SER  12  -1.801   7.260  -6.037
   73    HA   SER  12           HA       SER  12  -0.639   6.819  -8.593
   74   1HB   SER  12          2HB       SER  12  -0.617   9.102  -6.614
   75   2HB   SER  12          1HB       SER  12   0.159   9.247  -8.188
   76    HG   SER  12           HG       SER  12  -1.740   9.398  -9.077
   77    H    ASN  13           H        ASN  13   0.913   7.286  -5.419
   78    HA   ASN  13           HA       ASN  13   3.487   6.330  -6.618
   79   1HB   ASN  13          2HB       ASN  13   3.244   8.867  -6.205
   80   2HB   ASN  13          1HB       ASN  13   3.257   8.468  -4.487
   81   1HD2  ASN  13          1HD2      ASN  13   5.242   8.539  -7.420
   82   2HD2  ASN  13          2HD2      ASN  13   6.719   8.238  -6.640
   83    H    ASP  14           H        ASP  14   2.327   4.316  -5.596
   84    HA   ASP  14           HA       ASP  14   2.079   4.035  -2.759
   85   1HB   ASP  14          2HB       ASP  14   2.015   1.636  -3.290
   86   2HB   ASP  14          1HB       ASP  14   1.107   2.535  -4.503
   87    H    GLN  15           H        GLN  15   3.642   3.836  -1.205
   88    HA   GLN  15           HA       GLN  15   6.456   3.290  -2.106
   89   1HB   GLN  15          2HB       GLN  15   5.206   5.121  -0.065
   90   2HB   GLN  15          1HB       GLN  15   6.891   4.628   0.104
   91   1HG   GLN  15          2HG       GLN  15   7.509   5.623  -1.957
   92   2HG   GLN  15          1HG       GLN  15   5.832   5.764  -2.487
   93   1HE2  GLN  15          1HE2      GLN  15   8.150   7.051  -0.064
   94   2HE2  GLN  15          2HE2      GLN  15   7.340   8.528   0.152
   95    H    CYS  16           H        CYS  16   4.118   1.500  -0.929
   96    HA   CYS  16           HA       CYS  16   5.109   0.588   1.646
   97   1HB   CYS  16          2HB       CYS  16   2.989  -0.019  -0.305
   98   2HB   CYS  16          1HB       CYS  16   3.561  -1.432   0.582
   99    H    CYS  17           H        CYS  17   6.211  -1.420   2.061
  100    HA   CYS  17           HA       CYS  17   8.279  -2.110   0.152
  101   1HB   CYS  17          2HB       CYS  17   7.537  -2.601   2.909
  102   2HB   CYS  17          1HB       CYS  17   8.054  -4.104   2.146
  103    H    LYS  18           H        LYS  18   8.324  -3.777  -1.321
  104    HA   LYS  18           HA       LYS  18   5.860  -5.157  -2.027
  105   1HB   LYS  18          2HB       LYS  18   8.358  -4.484  -3.175
  106   2HB   LYS  18          1HB       LYS  18   8.265  -6.244  -3.220
  107   1HG   LYS  18          2HG       LYS  18   5.889  -4.607  -4.066
  108   2HG   LYS  18          1HG       LYS  18   7.228  -4.851  -5.188
  109   1HD   LYS  18          2HD       LYS  18   6.875  -7.395  -4.273
  110   2HD   LYS  18          1HD       LYS  18   5.220  -6.789  -4.195
  111   1HE   LYS  18          2HE       LYS  18   5.044  -7.093  -6.432
  112   2HE   LYS  18          1HE       LYS  18   6.328  -5.893  -6.672
  113   1HZ   LYS  18          1HZ       LYS  18   6.751  -8.770  -6.045
  114   2HZ   LYS  18          2HZ       LYS  18   7.975  -7.613  -6.269
  115   3HZ   LYS  18          3HZ       LYS  18   6.972  -8.056  -7.567
  116    H    SER  19           H        SER  19   8.515  -5.897   0.101
  117    HA   SER  19           HA       SER  19   8.540  -8.753  -0.017
  118   1HB   SER  19          2HB       SER  19  10.172  -7.186   1.107
  119   2HB   SER  19          1HB       SER  19   8.980  -6.944   2.380
  120    HG   SER  19           HG       SER  19   9.487  -8.826   3.168
  121    H    SER  20           H        SER  20   6.447  -6.489   1.773
  122    HA   SER  20           HA       SER  20   5.030  -8.742   3.096
  123   1HB   SER  20          2HB       SER  20   5.036  -5.731   3.298
  124   2HB   SER  20          1HB       SER  20   3.810  -6.698   4.113
  125    HG   SER  20           HG       SER  20   5.664  -6.282   5.422
  126    H    ASN  21           H        ASN  21   4.845  -7.628   0.060
  127    HA   ASN  21           HA       ASN  21   3.143  -7.403  -1.557
  128   1HB   ASN  21          2HB       ASN  21   2.940  -9.738  -0.202
  129   2HB   ASN  21          1HB       ASN  21   1.350  -9.060   0.152
  130   1HD2  ASN  21          1HD2      ASN  21   3.444 -10.237  -2.462
  131   2HD2  ASN  21          2HD2      ASN  21   2.231 -10.281  -3.648
  132    H    LEU  22           H        LEU  22   3.150  -5.197   0.155
  133    HA   LEU  22           HA       LEU  22   0.367  -4.752   1.088
  134   1HB   LEU  22          2HB       LEU  22   3.061  -3.475   1.382
  135   2HB   LEU  22          1HB       LEU  22   1.636  -2.469   1.639
  136    HG   LEU  22           HG       LEU  22   1.772  -5.159   2.963
  137   1HD1  LEU  22          1HD1      LEU  22   2.930  -4.171   4.885
  138   2HD1  LEU  22          2HD1      LEU  22   3.067  -2.633   4.034
  139   3HD1  LEU  22          3HD1      LEU  22   3.942  -4.046   3.446
  140   1HD2  LEU  22          1HD2      LEU  22  -0.239  -3.528   2.931
  141   2HD2  LEU  22          2HD2      LEU  22   0.719  -2.533   4.027
  142   3HD2  LEU  22          3HD2      LEU  22   0.258  -4.169   4.497
  143    H    VAL  23           H        VAL  23  -1.063  -3.375   0.040
  144    HA   VAL  23           HA       VAL  23  -0.079  -1.995  -2.441
  145    HB   VAL  23           HB       VAL  23  -2.400  -2.521  -3.325
  146   1HG1  VAL  23          1HG1      VAL  23  -1.856  -4.826  -3.885
  147   2HG1  VAL  23          2HG1      VAL  23  -0.749  -4.932  -2.515
  148   3HG1  VAL  23          3HG1      VAL  23  -0.373  -3.872  -3.874
  149   1HG2  VAL  23          1HG2      VAL  23  -2.555  -4.565  -1.111
  150   2HG2  VAL  23          2HG2      VAL  23  -3.835  -3.999  -2.183
  151   3HG2  VAL  23          3HG2      VAL  23  -3.240  -2.955  -0.893
  152    H    CYS  24           H        CYS  24  -0.769   0.127  -2.714
  153    HA   CYS  24           HA       CYS  24  -2.006   1.461  -0.402
  154   1HB   CYS  24          2HB       CYS  24  -0.841   2.299  -3.065
  155   2HB   CYS  24          1HB       CYS  24  -1.617   3.464  -1.991
  156    H    SER  25           H        SER  25  -4.215   1.201  -0.257
  157    HA   SER  25           HA       SER  25  -5.949   0.858  -2.564
  158   1HB   SER  25          2HB       SER  25  -6.304  -0.055  -0.251
  159   2HB   SER  25          1HB       SER  25  -6.588   1.589   0.314
  160    HG   SER  25           HG       SER  25  -8.502   0.340  -0.282
  161    H    ARG  26           H        ARG  26  -7.224   2.402  -3.590
  162    HA   ARG  26           HA       ARG  26  -6.535   5.238  -3.140
  163   1HB   ARG  26          2HB       ARG  26  -7.719   5.548  -5.250
  164   2HB   ARG  26          1HB       ARG  26  -6.670   4.139  -5.390
  165   1HG   ARG  26          2HG       ARG  26  -8.527   3.070  -6.136
  166   2HG   ARG  26          1HG       ARG  26  -9.001   3.018  -4.439
  167   1HD   ARG  26          2HD       ARG  26 -10.094   5.299  -4.793
  168   2HD   ARG  26          1HD       ARG  26  -9.840   5.047  -6.531
  169    HE   ARG  26           HE       ARG  26 -11.000   2.671  -5.612
  170   1HH1  ARG  26          1HH2      ARG  26 -12.274   4.505  -7.645
  171   2HH1  ARG  26          2HH2      ARG  26 -13.760   4.922  -6.859
  172   1HH2  ARG  26          2HH1      ARG  26 -12.711   3.859  -3.724
  173   2HH2  ARG  26          1HH1      ARG  26 -14.009   4.555  -4.635
  174    H    ALA  27           H        ALA  27  -9.193   3.048  -2.450
  175    HA   ALA  27           HA       ALA  27 -11.265   5.024  -2.072
  176   1HB   ALA  27          1HB       ALA  27 -12.438   3.145  -1.060
  177   2HB   ALA  27          2HB       ALA  27 -10.918   2.287  -0.810
  178   3HB   ALA  27          3HB       ALA  27 -11.526   2.547  -2.445
  179    H    HIS  28           H        HIS  28  -9.016   3.396   0.169
  180    HA   HIS  28           HA       HIS  28  -9.853   5.288   2.333
  181   1HB   HIS  28          2HB       HIS  28  -8.371   2.637   2.372
  182   2HB   HIS  28          1HB       HIS  28  -8.813   3.566   3.805
  183    HD1  HIS  28           HD1      HIS  28 -11.586   4.235   3.707
  184    HD2  HIS  28           HD2      HIS  28 -10.302   0.748   1.818
  185    HE1  HIS  28           HE1      HIS  28 -13.641   2.788   3.402
  186    H    ARG  29           H        ARG  29  -7.473   5.058   0.000
  187    HA   ARG  29           HA       ARG  29  -5.310   5.959  -0.239
  188   1HB   ARG  29          2HB       ARG  29  -6.940   7.653   1.544
  189   2HB   ARG  29          1HB       ARG  29  -5.205   7.944   1.665
  190   1HG   ARG  29          2HG       ARG  29  -5.332   9.157  -0.225
  191   2HG   ARG  29          1HG       ARG  29  -5.746   7.679  -1.093
  192   1HD   ARG  29          2HD       ARG  29  -7.944   8.263  -1.267
  193   2HD   ARG  29          1HD       ARG  29  -8.005   8.869   0.400
  194    HE   ARG  29           HE       ARG  29  -6.655  10.870  -0.537
  195   1HH1  ARG  29          2HH1      ARG  29  -9.534  11.219  -1.066
  196   2HH1  ARG  29          1HH1      ARG  29  -9.593  11.466  -2.779
  197   1HH2  ARG  29          1HH2      ARG  29  -6.403  10.203  -3.336
  198   2HH2  ARG  29          2HH2      ARG  29  -7.814  10.889  -4.068
  199    H    TRP  30           H        TRP  30  -5.438   3.627   1.504
  200    HA   TRP  30           HA       TRP  30  -3.061   4.211   3.212
  201   1HB   TRP  30          2HB       TRP  30  -4.083   3.360   5.128
  202   2HB   TRP  30          1HB       TRP  30  -5.448   4.145   4.340
  203    HD1  TRP  30           HD1      TRP  30  -6.544   2.228   2.357
  204    HE1  TRP  30           HE1      TRP  30  -7.396  -0.128   2.966
  205    HE3  TRP  30           HE3      TRP  30  -4.078   1.518   6.764
  206    HZ2  TRP  30           HZ2      TRP  30  -7.070  -2.060   5.054
  207    HZ3  TRP  30           HZ3      TRP  30  -4.362  -0.586   8.045
  208    HH2  TRP  30           HH2      TRP  30  -5.855  -2.373   7.194
  209    H    CYS  31           H        CYS  31  -2.019   2.052   3.931
  210    HA   CYS  31           HA       CYS  31  -1.932   0.259   1.563
  211   1HB   CYS  31          2HB       CYS  31  -0.031   1.410   3.202
  212   2HB   CYS  31          1HB       CYS  31  -0.114  -0.240   3.820
  213    H    LYS  32           H        LYS  32  -2.593  -1.862   1.633
  214    HA   LYS  32           HA       LYS  32  -3.301  -3.095   4.260
  215   1HB   LYS  32          2HB       LYS  32  -5.508  -3.723   3.310
  216   2HB   LYS  32          1HB       LYS  32  -5.304  -1.973   3.352
  217   1HG   LYS  32          2HG       LYS  32  -5.258  -1.788   1.075
  218   2HG   LYS  32          1HG       LYS  32  -4.373  -3.299   0.868
  219   1HD   LYS  32          2HD       LYS  32  -6.501  -3.788  -0.020
  220   2HD   LYS  32          1HD       LYS  32  -6.577  -4.448   1.615
  221   1HE   LYS  32          2HE       LYS  32  -7.481  -2.033   2.225
  222   2HE   LYS  32          1HE       LYS  32  -7.909  -1.994   0.504
  223   1HZ   LYS  32          1HZ       LYS  32  -8.608  -4.169   2.410
  224   2HZ   LYS  32          2HZ       LYS  32  -9.005  -4.134   0.757
  225   3HZ   LYS  32          3HZ       LYS  32  -9.683  -2.996   1.822
  226    H    TYR  33           H        TYR  33  -3.977  -5.500   3.800
  227    HA   TYR  33           HA       TYR  33  -1.903  -6.674   2.030
  228   1HB   TYR  33          2HB       TYR  33  -2.951  -7.237   4.553
  229   2HB   TYR  33          1HB       TYR  33  -3.656  -8.485   3.525
  230    HD1  TYR  33           HD1      TYR  33  -2.195 -10.005   2.208
  231    HD2  TYR  33           HD2      TYR  33  -0.587  -7.174   5.009
  232    HE1  TYR  33           HE1      TYR  33  -0.033 -11.216   2.189
  233    HE2  TYR  33           HE2      TYR  33   1.576  -8.385   4.992
  234    HH   TYR  33           HH       TYR  33   2.104 -11.194   4.293
  235    H    GLU  34           H        GLU  34  -2.407  -7.683   0.107
  236    HA   GLU  34           HA       GLU  34  -5.227  -8.477  -0.442
  237   1HB   GLU  34          2HB       GLU  34  -4.308  -6.024  -1.163
  238   2HB   GLU  34          1HB       GLU  34  -3.821  -6.958  -2.577
  239   1HG   GLU  34          2HG       GLU  34  -6.445  -7.806  -1.947
  240   2HG   GLU  34          1HG       GLU  34  -6.458  -6.045  -1.835
  241    H    ILE  35           H        ILE  35  -5.383  -9.930  -2.311
  242    HA   ILE  35           HA       ILE  35  -2.768 -11.120  -3.174
  243    HB   ILE  35           HB       ILE  35  -3.925 -12.398  -1.349
  244   1HG1  ILE  35          2HG1      ILE  35  -4.152 -14.063  -3.836
  245   2HG1  ILE  35          1HG1      ILE  35  -2.580 -13.388  -3.405
  246   1HG2  ILE  35          1HG2      ILE  35  -6.254 -11.762  -2.168
  247   2HG2  ILE  35          2HG2      ILE  35  -6.041 -13.455  -1.724
  248   3HG2  ILE  35          3HG2      ILE  35  -6.051 -12.984  -3.424
  249   1HD1  ILE  35          1HD1      ILE  35  -4.284 -14.947  -1.448
  250   2HD1  ILE  35          2HD1      ILE  35  -2.587 -14.496  -1.280
  251   3HD1  ILE  35          3HD1      ILE  35  -3.063 -15.708  -2.470
  252   1HN   NH2  36          1HN       NH2  36  -5.869 -10.144  -5.524
  253   2HN   NH2  36          2HN       NH2  36  -5.345  -9.485  -3.960