*HEADER    TOXIN                                   29-DEC-02   1NIX              
*TITLE     THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-I BY 2D           
*TITLE    2 1H-NMR                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HAINANTOXIN-I;                                             
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SELENOCOSMIA HAINANA;                           
*SOURCE   3 ORGANISM_COMMON: CHINESE BIRD SPIDER;                                
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    INHIBITOR CYSTINE KNOT MOTIF                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.L.LI, S.P.LIANG                                                     
*REVDAT   1   14-JAN-03 1NIX    0                                                
!E1
assign (resid 1 and name HA)   (resid 1 and name HB#)  3.5 1.7 1.0  !!0.596E+06
assign (resid 1 and name HG#)  (resid 1 and name HB#)  3.5 1.7 2.0  !!0.620E+06

!C2
assign (resid 2 and name HN )  (resid 2  and name HA )  5.0 3.2 0.0
assign (resid 2 and name HN )  (resid 2  and name HB#)  3.5 1.7 1.0  !!0.154E+07 or 0.221E+07/2?
assign (resid 2 and name HN )  (resid 1  and name HA )  2.7 0.9 0.0  !!0.313E+07 
assign (resid 2 and name HN )  (resid 1  and name HB#)  3.5 1.7 1.0  !!0.663E+06
assign (resid 2 and name HN )  (resid 1  and name HG#)  5.0 3.2 1.0  !!0.193E+06
assign (resid 2 and name HA )  (resid 2  and name HB#)  2.7 0.9 1.0  !!0.217E+07 or 0.210E+07
assign (resid 2 and name HA )  (resid 3  and name HA )  5.0 3.2 0.0  !!0.152E+06
assign (resid 2 and name HA )  (resid 3  and name HG#)  5.0 3.2 1.0 
assign (resid 2 and name HA )  (resid 17 and name HA )  5.0 3.2 0.0

!K3
assign (resid 3 and name HN )  (resid 3  and name HA )  3.5 1.7 0.0  !!0.138E+07/2
assign (resid 3 and name HN )  (resid 3  and name HB#)  3.5 1.7 1.0  !!0.344E+07/2
assign (resid 3 and name HN )  (resid 3  and name HG#)  3.5 1.7 1.0  !!0.984E+06 or 0.638E+06
assign (resid 3 and name HN )  (resid 3  and name HD#)  5.0 3.2 1.0  !!weak
assign (resid 3 and name HN )  (resid 2  and name HA )  5.0 3.2 0.0  !!0.402E+06
assign (resid 3 and name HN )  (resid 2  and name HB#)  3.5 1.7 1.0  !!0.271E+06  or 0.221E+07/2
assign (resid 3 and name HN )  (resid 16 and name HA )  3.5 1.7 0.0  !!0.189E+07
assign (resid 3 and name HN )  (resid 17 and name HA )  5.0 3.2 0.0  !!noe400
assign (resid 3 and name HA )  (resid 3  and name HB#)  2.7 0.9 1.0
assign (resid 3 and name HA )  (resid 3  and name HG#)  3.5 1.7 1.0
assign (resid 3 and name HA )  (resid 3  and name HD#)  3.5 1.7 1.0
assign (resid 3 and name HA )  (resid 3  and name HE#)  5.0 3.2 1.0
!assign (resid 3 and name HB#)  (resid 3  and name HG#)  3.5 1.7 2.0
!assign (resid 3 and name HB#)  (resid 3  and name HD#)  3.5 1.7 2.0
assign (resid 3 and name HE#)  (resid 3  and name HD#)  3.5 1.7 2.0
assign (resid 3 and name HN )  (resid 4  and name HN )  5.0 3.2 0.0

!G4
assign (resid 4 and name HN )  (resid 4  and name HA#)  2.7 0.9 1.0  !!0.111E+07 or 0.375E+07
assign (resid 4 and name HN )  (resid 3  and name HA )  2.7 0.9 0.0  !!0.632E+07/2
assign (resid 4 and name HN )  (resid 3  and name HB#)  5.0 3.2 1.0
assign (resid 4 and name HN )  (resid 3  and name HG#)  5.0 3.2 1.0
assign (resid 4 and name HN )  (resid 7  and name HB#)  5.0 3.2 1.0  !!0.294E+06
assign (resid 4 and name HN )  (resid 7  and name HG#)  3.5 1.7 1.0  !!0.210E+06
!assign (resid 4 and name HN )  (resid 7  and name HD#)  5.0 3.2 1.0

!F5
assign (resid 5 and name HN )  (resid 5  and name HA )  3.5 1.7 0.0  !!0.422E+07
assign (resid 5 and name HN )  (resid 5  and name HB#)  2.7 0.9 1.0  !!0.357E+07 or 0.345E+07
assign (resid 5 and name HN )  (resid 4  and name HA#)  2.7 0.9 1.0  !!0.380E+07
assign (resid 5 and name HN )  (resid 29 and name HB#)  5.0 3.2 1.0
assign (resid 5 and name HA )  (resid 5  and name HB#)  3.5 1.7 1.0  !!0.197E+07 or 0.174E+07
assign (resid 5 and name HA )  (resid 29 and name HB#)  5.0 3.2 1.0  !!0.423E+06 or 0.291E+06
assign (resid 5 and name HD#)  (resid 5  and name HA )  3.5 1.7 2.4  !!0.240E+07
assign (resid 5 and name HD#)  (resid 5  and name HB#)  3.5 1.7 3.4  !!0.214E+07 or 0.286E+07
assign (resid 5 and name HD#)  (resid 6  and name HA#)  5.0 3.2 3.4  !!0.486E+06
assign (resid 5 and name HD#)  (resid 30 and name HA )  3.5 1.7 2.4  !!0.615E+06
assign (resid 5 and name HD#)  (resid 31 and name HB )  5.0 3.2 2.4
assign (resid 5 and name HD#)  (resid 31 and name HG#)  5.0 3.2 4.8  !!0.789E+06/3
assign (resid 5 and name HE#)  (resid 5  and name HA )  5.0 3.2 2.4
assign (resid 5 and name HE#)  (resid 5  and name HB#)  5.0 3.2 3.4
assign (resid 5 and name HE#)  (resid 6  and name HA#)  5.0 3.2 3.4
assign (resid 5 and name HE#)  (resid 30 and name HA )  3.5 1.7 2.4  !!0.567E+06
assign (resid 5 and name HE#)  (resid 30 and name HB#)  5.0 3.2 3.4
assign (resid 5 and name HE#)  (resid 31 and name HG#)  5.0 3.2 4.8  !!0.122E+06

!G6
assign (resid 6 and name HN )  (resid 6  and name HA#)  2.7 0.9 1.0  !!0.141E+07 or 0.296E+07
assign (resid 6 and name HN )  (resid 5  and name HA )  2.7 0.9 0.0  !!0.664E+07
assign (resid 6 and name HN )  (resid 5  and name HB#)  5.0 3.2 1.0  !!0.202E+06 or 0.148E+06
assign (resid 6 and name HN )  (resid 29 and name HB#)  3.5 1.7 1.0  !!0.685E+06 or 0.498E+06

assign (resid 6 and name HN )  (resid 5  and name HN )  5.0 3.2 0.0  !!0.343E+06
assign (resid 6 and name HN )  (resid 5  and name HD#)  5.0 3.2 2.4  !!0.881E+06/2
assign (resid 6 and name HN )  (resid 7  and name HN )  3.5 1.7 0.0  !!0.156E+07
assign (resid 6 and name HN )  (resid 28 and name HD1)  5.0 3.2 0.0  !!0.284E+06
assign (resid 6 and name HN )  (resid 28 and name HE3)  5.0 3.2 0.0  !!0.158E+07
!assign (resid 6 and name HN )  (resid 28 and name HZ3)  5.0 3.2 0.0  !!0.574E+06
assign (resid 6 and name HN )  (resid 29 and name HN )  5.0 3.2 0.0  !!0.164E+06

!k7
assign (resid 7 and name HN )  (resid 7  and name HA )  3.5 1.7 0.0  !!0.125E+07
assign (resid 7 and name HN )  (resid 7  and name HB#)  2.7 0.9 1.0  !!0.314E+07 or 
assign (resid 7 and name HN )  (resid 7  and name HG#)  3.5 1.7 1.0  !!0.604E+06 or 0.203E+07
assign (resid 7 and name HN )  (resid 7  and name HD#)  5.0 3.2 1.0  !!0.239E+06 or 0.108E+07?
assign (resid 7 and name HN )  (resid 3  and name HB#)  5.0 3.2 1.0
assign (resid 7 and name HN )  (resid 5  and name HA )  5.0 3.2 0.0  !!0.582E+06
assign (resid 7 and name HN )  (resid 6  and name HA#)  3.5 1.7 1.0  !!0.791E+06 or 0.874E+06
assign (resid 7 and name HN )  (resid 28 and name HA )  5.0 3.2 0.0
assign (resid 7 and name HN )  (resid 28 and name HB#)  5.0 3.2 1.0
assign (resid 7 and name HN )  (resid 29 and name HB#)  3.5 1.7 1.0  !!0.423E+06 or 0.122E+07
assign (resid 7 and name HA )  (resid 7  and name HB#)  3.5 1.7 1.0
assign (resid 7 and name HA )  (resid 7  and name HG#)  3.5 1.7 1.0
assign (resid 7 and name HA )  (resid 7  and name HD#)  3.5 1.7 1.0
assign (resid 7 and name HA )  (resid 7  and name HE#)  5.0 3.2 1.0
assign (resid 7 and name HE#)  (resid 7  and name HD#)  3.5 1.7 2.0
assign (resid 7 and name HN )  (resid 8  and name HN )  5.0 3.2 0.0  !!0.233E+06

!S8
assign (resid 8 and name HN )  (resid 8  and name HA )  3.5 1.7 0.0 
assign (resid 8 and name HN )  (resid 8  and name HB#)  3.5 1.7 1.0  !!0.513E+07/2
assign (resid 8 and name HN )  (resid 7  and name HA )  2.7 0.9 0.0  !!0.610E+07/2
assign (resid 8 and name HN )  (resid 7  and name HB#)  5.0 3.2 1.0  !!0.525E+06
assign (resid 8 and name HN )  (resid 7  and name HG#)  5.0 3.2 1.0  !!
assign (resid 8 and name HN )  (resid 7  and name HD#)  3.5 1.7 1.0  !!0.413E+06 or 0.129E+07
assign (resid 8 and name HA )  (resid 8  and name HB#)  2.7 0.9 1.0  !!0.212E+07 (d2o)
assign (resid 8 and name HA )  (resid 28 and name HB#)  3.5 1.7 1.0  !!0.787E+06 (d2o)
assign (resid 8 and name HB#)  (resid 28 and name HB#)  5.0 3.2 2.0  !!0.275E+06 or 0.146E+06 (d2o) 


!C9
assign (resid 9 and name HN )  (resid 9  and name HA )  5.0 3.2 0.0  !!0.470E+06
assign (resid 9 and name HN )  (resid 9  and name HB#)  3.5 1.7 1.0  !!0.152E+06 or 0.745E+06
assign (resid 9 and name HN )  (resid 8  and name HB#)  5.0 3.2 1.0
assign (resid 9 and name HN )  (resid 28 and name HA )  3.5 1.7 0.0  !!0.117E+07
assign (resid 9 and name HN )  (resid 27 and name HB#)  5.0 3.2 1.0
assign (resid 9 and name HA )  (resid 9  and name HB#)  2.7 0.9 1.0  !!0.217E+07 or 0.210E+07 (d2o)
assign (resid 9 and name HA )  (resid 3  and name HD#)  5.0 3.2 1.0  !!0.348E+06 (d2o)
assign (resid 9 and name HA )  (resid 8  and name HB#)  5.0 3.2 1.0  !!0.145E+06 (d2o)
assign (resid 9 and name HA )  (resid 10 and name HA )  5.0 3.2 0.0  !!0.115E+06 d2o)
assign (resid 9 and name HA )  (resid 10 and name HG#)  5.0 3.2 2.4  !!0.217E+06/3 (d2o)
assign (resid 9 and name HA )  (resid 15 and name HB#)  5.0 3.2 1.0  !!0.270E+06 (d2o)
!assign (resid 9 and name HB#)  (resid 3  and name HD#)  5.0 3.2 2.0
assign (resid 9 and name HB#)  (resid 15 and name HB#)  3.5 1.7 2.0  !!0.687E+06 or 0.789E+06(d2o)  11/06 

!V10
assign (resid 10 and name HN ) (resid 10 and name HA )  3.5 1.7 0.0  !!0.800E+06
assign (resid 10 and name HN ) (resid 10 and name HB )  2.7 0.9 0.0  !!0.306E+07
assign (resid 10 and name HN ) (resid 10 and name HG#)  3.5 1.7 2.4  !!0.235E+07/3
assign (resid 10 and name HN ) (resid 9  and name HA )  3.5 1.7 0.0  !!0.198E+07
assign (resid 10 and name HN ) (resid 9  and name HB#)  3.5 1.7 1.0  !!0.156E+07 or 0.600E+06
!assign (resid 10 and name HN ) (resid 11 and name HB#)  5.0 3.2 1.0 
assign (resid 10 and name HN ) (resid 11 and name HD#)  5.0 3.2 1.0 
assign (resid 10 and name HN ) (resid 15 and name HB#)  5.0 3.2 1.0
assign (resid 10 and name HN ) (resid 15 and name HG#)  5.0 3.2 1.0
assign (resid 10 and name HA ) (resid 10 and name HB )  3.5 1.7 0.0  !!0.438E+06 (d2o)
assign (resid 10 and name HA ) (resid 10 and name HG#)  3.5 1.7 2.4  !!0.166E+07/3 or 0.196E+07 (d2o)
assign (resid 10 and name HA ) (resid 11 and name HG#)  5.0 3.2 1.0  !!0.189E+06 (d2o)
assign (resid 10 and name HA ) (resid 11 and name HD#)  2.7 0.9 1.0  !!0.562E+07 or 0.172E+07 (d2o)
assign (resid 10 and name HB ) (resid 10 and name HG#)  3.5 1.7 2.4  !!0.404E+07/3 or 0.333E+07

!P11 (d2o)
assign (resid 11 and name HA ) (resid 11 and name HB#)  2.7 0.9 1.0  !!0.207E+07 or 0.873E+06
assign (resid 11 and name HA ) (resid 11 and name HG#)  3.5 1.7 1.0  !!0.517E+06 or 0.654E+06
!assign (resid 11 and name HA ) (resid 10 and name HG#)  5.0 3.2 2.4  !!
assign (resid 11 and name HA ) (resid 22 and name HB#)  3.5 1.7 1.0  !!0.155E+07
assign (resid 11 and name HD#) (resid 11 and name HG#)  3.5 1.7 2.0  !!0.106E+07 or 0.136E+07
assign (resid 11 and name HD#) (resid 11 and name HB#)  5.0 3.2 2.0  !!0.241E+06 or 0.530E+06
assign (resid 11 and name HD#) (resid 10 and name HG#)  5.0 3.2 3.4  !!0.220E+06 or 0.510E+06
assign (resid 11 and name HD#) (resid 27 and name HB#)  5.0 3.2 2.0  !!0.217E+06 or 0.150E+06
assign (resid 11 and name HD#) (resid 27 and name HG#)  5.0 3.2 2.0  !!0.615E+06? or 0.255E+06
!assign (resid 11 and name HB#) (resid 27 and name HG#)  5.0 3.2 2.0  !!0.354E+06

!G12
assign (resid 12 and name HN ) (resid 12 and name HA#)  3.5 1.7 1.0  !!0.239E+07 or
assign (resid 12 and name HN ) (resid 11 and name HA )  2.7 0.9 0.0  !!0.449E+07
assign (resid 12 and name HN ) (resid 11 and name HB#)  3.5 1.7 1.0  !!0.659E+06 or 0.444E+06
assign (resid 12 and name HN ) (resid 22 and name HB#)  5.0 3.2 1.0  !!0.269E+06

assign (resid 12 and name HN ) (resid 13 and name HN )  3.5 1.7 0.0  !!0.164E+07
assign (resid 12 and name HN ) (resid 14 and name HN )  5.0 3.2 0.0

!K13
assign (resid 13 and name HN ) (resid 13 and name HA )  3.5 1.7 0.0  !!0.110E+07
assign (resid 13 and name HN ) (resid 13 and name HB#)  3.5 1.7 1.0  !!0.102E+07 or 0.262E+07
assign (resid 13 and name HN ) (resid 13 and name HG#)  3.5 1.7 1.0  !!0.395E+06 or 0.649E+06
assign (resid 13 and name HN ) (resid 10 and name HG#)  5.0 3.2 2.4  !!0.420E+06/3
assign (resid 13 and name HN ) (resid 11 and name HA )  5.0 3.2 0.0  !!0.624E+06
assign (resid 13 and name HN ) (resid 11 and name HB#)  5.0 3.2 1.0
assign (resid 13 and name HN ) (resid 12 and name HA#)  3.5 1.7 1.0  !!0.673E+06 or 0.722E+06
assign (resid 13 and name HA ) (resid 13 and name HB#)  3.5 1.7 1.0  !!0.172E+07 or 0.571E+06
assign (resid 13 and name HA ) (resid 13 and name HG#)  3.5 1.7 1.0  !!0.790E+06 or 0.150E+06
assign (resid 13 and name HA ) (resid 13 and name HD#)  3.5 1.7 1.0  !!0.836E+06
assign (resid 13 and name HB#) (resid 13 and name HG#)  3.5 1.7 2.0  !!0.974E+06
assign (resid 13 and name HB#) (resid 13 and name HD#)  5.0 3.2 2.0
assign (resid 13 and name HN ) (resid 14 and name HN )  3.5 1.7 0.0  !!0.222E+07

!N14
assign (resid 14 and name HN ) (resid 14 and name HA )  3.5 1.7 0.0  !!0.103E+07
assign (resid 14 and name HN ) (resid 14 and name HB#)  3.5 1.7 1.0  !!0.497E+06 or 0.771E+06
assign (resid 14 and name HN ) (resid 11 and name HA )  5.0 3.2 0.0
!assign (resid 14 and name HN ) (resid 11 and name HB#)  5.0 3.2 1.0 
assign (resid 14 and name HN ) (resid 12 and name HA#)  5.0 3.2 1.0
assign (resid 14 and name HN ) (resid 13 and name HA )  3.5 1.7 0.0  !!0.111E+07
assign (resid 14 and name HN ) (resid 13 and name HB#)  3.5 1.7 1.0  !!0.465E+06 or 0.877E+06
assign (resid 14 and name HN ) (resid 15 and name HG#)  5.0 3.2 1.0
assign (resid 14 and name HD2#)(resid 14 and name HB#)  5.0 3.2 2.0  !!0.133E+06 or 0.173E+06 or 0.243E+06
assign (resid 14 and name HA ) (resid 14 and name HB#)  3.5 1.7 1.0  !!0.128E+07 or 

!E15
assign (resid 15 and name HN ) (resid 15 and name HA )  3.5 1.7 0.0  !!0.132E+07
assign (resid 15 and name HN ) (resid 15 and name HB#)  3.5 1.7 1.0  !!0.494E+07/3
assign (resid 15 and name HN ) (resid 15 and name HG#)  3.5 1.7 1.0  !!0.494E+07/3
assign (resid 15 and name HN ) (resid 9  and name HB#)  5.0 3.2 1.0  !!0.321E+06
assign (resid 15 and name HN ) (resid 13 and name HB#)  5.0 3.2 1.0  !!0.192E+06
assign (resid 15 and name HN ) (resid 14 and name HA )  5.0 3.2 0.0  !!0.450E+06
assign (resid 15 and name HN ) (resid 14 and name HB#)  5.0 3.2 1.0  !!noe400
assign (resid 15 and name HN ) (resid 22 and name HB#)  5.0 3.2 1.0
assign (resid 15 and name HA ) (resid 15 and name HB#)  3.5 1.7 1.0  !!0.105E+07 or 0.261E+07 
assign (resid 15 and name HA ) (resid 15 and name HG#)  3.5 1.7 1.0  !!0.279E+07
assign (resid 15 and name HB#) (resid 15 and name HG#)  3.5 1.7 2.0
assign (resid 15 and name HN ) (resid 13 and name HN )  5.0 3.2 0.0
assign (resid 15 and name HN ) (resid 14 and name HN )  3.5 1.7 0.0  !!0.619E+06
assign (resid 15 and name HN ) (resid 16 and name HN )  3.5 1.7 0.0  !!0.236E+07

!C16
assign (resid 16 and name HN ) (resid 16 and name HA )  3.5 1.7 0.0  !!0.889E+06
assign (resid 16 and name HN ) (resid 16 and name HB#)  3.5 1.7 1.0  !!0.989E+06 or 0.249E+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 15 and name HA )  5.0 3.2 0.0  !!
assign (resid 16 and name HN ) (resid 15 and name HB#)  5.0 3.2 1.0  !!0.472E+06 or 0.344E+06
assign (resid 16 and name HN ) (resid 15 and name HG#)  5.0 3.2 1.0  !!0.167E+06
assign (resid 16 and name HN ) (resid 14 and name HA )  5.0 3.2 0.0
assign (resid 16 and name HN ) (resid 21 and name HA )  5.0 3.2 0.0
assign (resid 16 and name HA ) (resid 16 and name HB#)  3.5 1.7 1.0  !!0.860E+06 or 0.172E+07
assign (resid 16 and name HA ) (resid 3  and name HA )  5.0 3.2 0.0  !!0.246E+06
assign (resid 16 and name HA ) (resid 3  and name HB#)  3.5 1.7 1.0  !!0.102E+07
assign (resid 16 and name HA ) (resid 3  and name HG#)  5.0 3.2 1.0
!assign (resid 16 and name HA ) (resid 17 and name HA )  5.0 3.2 0.0
!assign (resid 16 and name HA ) (resid  9 and name HB#)  5.0 3.2 1.0
assign (resid 16 and name HA ) (resid 29 and name HB#)  5.0 3.2 1.0
assign (resid 16 and name HB#) (resid 29 and name HB#)  3.5 1.7 2.0  !!11/06


!C17
assign (resid 17 and name HN ) (resid 17 and name HA )  3.5 1.7 0.0  !!0.943E+06
assign (resid 17 and name HN ) (resid 17 and name HB#)  3.5 1.7 1.0  !!0.832E+06 or 0.268E+07
assign (resid 17 and name HN ) (resid 2  and name HB#)  5.0 3.2 1.0  !!0.819E+05 or 0.208E+07/2
assign (resid 17 and name HN ) (resid 3  and name HB#)  5.0 3.2 1.0  !!0.416E+06 
assign (resid 17 and name HN ) (resid 4  and name HA#)  5.0 3.2 1.0  !!0.332E+06
assign (resid 17 and name HN ) (resid 16 and name HA )  2.7 0.9 0.0  !!0.818E+07/2
assign (resid 17 and name HN ) (resid 16 and name HB#)  3.5 1.7 1.0  !!0.208E+07/2
assign (resid 17 and name HN ) (resid 3  and name HA )  5.0 3.2 0.0  !!0.264E+06
assign (resid 17 and name HA ) (resid 17 and name HB#)  3.5 1.7 1.0  !!0.685E+06 or 0.108E+07
assign (resid 17 and name HA ) (resid 2  and name HB#)  3.5 1.7 1.0  !!0.694E+06 or 0.161E+07

assign (resid 17 and name HN ) (resid 3  and name HN )  3.5 1.7 0.0  !!0.642E+06
assign (resid 17 and name HN ) (resid 16 and name HN )  5.0 3.2 0.0  !!0.433E+06/2
assign (resid 17 and name HN ) (resid 18 and name HN )  5.0 3.2 0.0  !!0.115E+06

!S18
assign (resid 18 and name HN ) (resid 18 and name HA )  3.5 1.7 0.0  !!0.610E+07/2
assign (resid 18 and name HN ) (resid 18 and name HB#)  2.7 0.9 1.0  !!0.513E+07/2
assign (resid 18 and name HN ) (resid 17 and name HA )  3.5 1.7 0.0  !!0.254E+07
assign (resid 18 and name HN ) (resid 17 and name HB#)  3.5 1.7 1.0  !!0.107E+07 or 0.251E+07
assign (resid 18 and name HN ) (resid 2  and name HB#)  5.0 3.2 1.0  !!0.188E+06 or 0.301E+06
assign (resid 18 and name HA ) (resid 18 and name HB#)  3.5 1.7 1.0

!G19
assign (resid 19 and name HN ) (resid 19 and name HA#)  2.7 0.9 1.0  !!0.170E+07 or 0.306E+07
assign (resid 19 and name HN ) (resid 18 and name HA )  2.7 0.9 0.0  !!0.629E+07
assign (resid 19 and name HN ) (resid 18 and name HB#)  3.5 1.7 1.0  !!0.734E+06
assign (resid 19 and name HN ) (resid 18 and name HN )  5.0 3.2 0.0  !!0.245E+06
assign (resid 19 and name HN ) (resid 20 and name HN )  3.5 1.7 0.0  !!0.269E+07
assign (resid 19 and name HN ) (resid 32 and name HD#)  5.0 3.2 2.4
!assign (resid 19 and name HA#) (resid 32 and name HB#)  5.0 3.2 2.0
assign (resid 19 and name HA#) (resid 32 and name HD#)  5.0 3.2 3.4  !! 11/06  weak


!Y20
assign (resid 20 and name HN ) (resid 20 and name HA )  3.5 1.7 0.0  !!0.916E+06
assign (resid 20 and name HN ) (resid 20 and name HB#)  3.5 1.7 1.0  !!0.900E+06 or 0.172E+07
assign (resid 20 and name HN ) (resid 18 and name HA )  5.0 3.2 0.0  !!0.838E+06?   11/05
assign (resid 20 and name HN ) (resid 19 and name HA#)  3.5 1.7 1.0  !!0.836E+06 or 0.725E+06
assign (resid 20 and name HN ) (resid 31 and name HA )  5.0 3.2 0.0
assign (resid 20 and name HN ) (resid 16 and name HB#)  5.0 3.2 1.0
assign (resid 20 and name HA ) (resid 20 and name HB#)  3.5 1.7 1.0  !!0.156E+07 or 
assign (resid 20 and name HA ) (resid 21 and name HA )  5.0 3.2 0.0  !!0.893E+05 (d2o)
assign (resid 20 and name HA ) (resid 21 and name HB#)  5.0 3.2 1.0  !!0.550E+06/3
assign (resid 20 and name HA ) (resid 31 and name HA )  3.5 1.7 0.0  !!0.236E+07
assign (resid 20 and name HA ) (resid 31 and name HG#)  5.0 3.2 2.4  !!0.262E+06/3
!assign (resid 20 and name HA ) (resid 30 and name HD#) 5.0 3.2 1.0  !!0.841E+05
assign (resid 20 and name HA ) (resid 32 and name HB#) 5.0 3.2 1.0  !!0.157E+06
assign (resid 20 and name HA ) (resid 32 and name HD#) 5.0 3.2 2.4  !!0.122E+06/3

!A21
assign (resid 21 and name HN ) (resid 21 and name HA )  5.0 3.2 0.0  !!0.101E+06
assign (resid 21 and name HN ) (resid 21 and name HB#)  3.5 1.7 1.0  !!0.191E+07/3
assign (resid 21 and name HN ) (resid 20 and name HA )  2.7 0.9 0.0  !!0.818E+07/2
assign (resid 21 and name HN ) (resid 20 and name HB#)  3.5 1.7 1.0  !!0.101E+07 or 0.303E+07?
assign (resid 21 and name HN ) (resid 31 and name HA )  5.0 3.2 0.0  !!0.431E+06
assign (resid 21 and name HN ) (resid 30 and name HB#)  5.0 3.2 1.0  !!0.142E+07/2
assign (resid 21 and name HN ) (resid 32 and name HB#)  5.0 3.2 1.0  !!0.548E+06  11/05
assign (resid 21 and name HN ) (resid 16 and name HB#)  5.0 3.2 1.0
assign (resid 21 and name HA ) (resid 21 and name HB#)  3.5 1.7 1.0  !!0.283E+07/3 (d2o)
assign (resid 21 and name HA ) (resid 16 and name HB#)  3.5 1.7 1.0  !!0.100E+07 or 0.743E+06 (d2o)
assign (resid 21 and name HA ) (resid 32 and name HD#)  5.0 3.2 2.4  !! (d2o)

assign (resid 21 and name HN ) (resid 20 and name HN )  5.0 3.2 0.0  !!0.433E+06/2
assign (resid 21 and name HN ) (resid 30 and name HN )  3.5 1.7 0.0  !!0.758E+06
assign (resid 21 and name HN ) (resid 32 and name HN )  5.0 3.2 0.0  !!0.408E+06


!C22
assign (resid 22 and name HN ) (resid 22 and name HA )  5.0 3.2 0.0  !!0.531E+06
assign (resid 22 and name HN ) (resid 22 and name HB#)  2.7 0.9 1.0  !!0.335E+07
assign (resid 22 and name HN ) (resid 11 and name HA )  5.0 3.2 0.0 
assign (resid 22 and name HN ) (resid 16 and name HB#)  5.0 3.2 1.0  !!0.160E+06
assign (resid 22 and name HN ) (resid 21 and name HA )  3.5 1.7 0.0  !!0.150E+07
assign (resid 22 and name HN ) (resid 21 and name HB#)  5.0 3.2 1.0  !!0.139E+07/3
assign (resid 22 and name HA ) (resid 22 and name HB#)  3.5 1.7 1.0  !!0.226E+07 (d2o) 0.119E+07 (h2o)

!N23
assign (resid 23 and name HN ) (resid 23 and name HA )  3.5 1.7 0.0  !!0.258E+07 ?
assign (resid 23 and name HN ) (resid 23 and name HB#)  3.5 1.7 1.0  !!0.235E+07 or 0.226E+07
assign (resid 23 and name HN ) (resid 22 and name HA )  3.5 1.7 0.0
assign (resid 23 and name HN ) (resid 22 and name HB#)  5.0 3.2 1.0  !!0.426E+06
assign (resid 23 and name HN ) (resid 27 and name HA )  5.0 3.2 0.0  !!0.185E+06
assign (resid 23 and name HD2#)(resid 23 and name HA )  5.0 3.2 1.0  !!0.459E+06
assign (resid 23 and name HD2#)(resid 23 and name HB#)  3.5 1.7 2.0  !!0.169E+07 or 0.708E+06
!assign (resid 23 and name HD2#)(resid 7  and name HG#)  5.0 3.2 2.0  !!0.278E+06
assign (resid 23 and name HD2#)(resid 30 and name HD#)  5.0 3.2 2.0  !!0.167E+06
assign (resid 23 and name HA ) (resid 23 and name HB#)  3.5 1.7 1.0  !!0.194E+07 or 0.171E+07 (d2o) 0.148E+07(h2o) 
assign (resid 23 and name HB#) (resid 26 and name HB#)  5.0 3.2 2.0
!assign (resid 23 and name HB#) (resid 30 and name HB#)  5.0 3.2 2.0
assign (resid 23 and name HB#) (resid 30 and name HG#)  5.0 3.2 2.0
assign (resid 23 and name HB#) (resid 30 and name HD#)  5.0 3.2 2.0
assign (resid 23 and name HN ) (resid 22 and name HN )  5.0 3.2 0.0
assign (resid 23 and name HN ) (resid 28 and name HN )  5.0 3.2 0.0  !!0.185E+06
assign (resid 23 and name HN ) (resid 30 and name HN )  5.0 3.2 0.0

!S24
assign (resid 24 and name HN ) (resid 24 and name HA )  3.5 1.7 0.0  !!0.293E+07
assign (resid 24 and name HN ) (resid 24 and name HB#)  3.5 1.7 1.0
assign (resid 24 and name HN ) (resid 23 and name HA )  3.5 1.7 0.0  !!0.199E+07
assign (resid 24 and name HN ) (resid 23 and name HB#)  5.0 3.2 1.0  !!0.327E+06 or 0.114E+06
assign (resid 24 and name HA ) (resid 11 and name HB#)  5.0 3.2 1.0  !!0.398E+06 or 0.333E+06 (d2o)
assign (resid 24 and name HA ) (resid 11 and name HG#)  3.5 1.7 1.0  !!0.173E+07 or 0.154E+07(d2o)
assign (resid 24 and name HN ) (resid 23 and name HN )  5.0 3.2 0.0
assign (resid 24 and name HN ) (resid 25 and name HN )  3.5 1.7 0.0  !!0.996E+06
!assign (resid 24 and name HN ) (resid 26 and name HN )  5.0 3.2 0.0

!R25
assign (resid 25 and name HN ) (resid 25 and name HA )  3.5 1.7 0.0  !!0.116E+07
assign (resid 25 and name HN ) (resid 25 and name HB#)  2.7 0.9 1.0  !!0.343E+07
assign (resid 25 and name HN ) (resid 25 and name HG#)  5.0 3.2 1.0  !!0.287E+06 or 0.122E+06
!assign (resid 25 and name HN ) (resid 23 and name HA )  5.0 3.2 0.0
assign (resid 25 and name HN ) (resid 24 and name HA )  5.0 3.2 0.0  !!0.111E+07
assign (resid 25 and name HN ) (resid 24 and name HB#)  3.5 1.7 1.0
assign (resid 25 and name HH#) (resid 25 and name HB#)  5.0 3.2 2.0
assign (resid 25 and name HH#) (resid 25 and name HG#)  5.0 3.2 2.0  !!0.321E+06
assign (resid 25 and name HH#) (resid 25 and name HD#)  3.5 1.7 2.0
assign (resid 25 and name HA ) (resid 25 and name HB#)  2.7 0.9 1.0  !!0.333E+07
assign (resid 25 and name HA ) (resid 25 and name HG#)  3.5 1.7 1.0  !!0.861E+06 or 0.601E+06
assign (resid 25 and name HD#) (resid 25 and name HB#)  3.5 1.7 2.0  !!0.100E+07  11/06
assign (resid 25 and name HD#) (resid 25 and name HG#)  3.5 1.7 2.0  !!0.127E+07 or 0.109E+07  11/06

!D26
assign (resid 26 and name HN ) (resid 26 and name HA )  3.5 1.7 0.0  !!0.201E+07/2
assign (resid 26 and name HN ) (resid 26 and name HB#)  3.5 1.7 1.0  !!0.599E+07/4?
assign (resid 26 and name HN ) (resid 23 and name HB#)  5.0 3.2 1.0  !!0.137E+07/2
assign (resid 26 and name HN ) (resid 25 and name HA )  5.0 3.2 0.0  !!0.574E+06
assign (resid 26 and name HN ) (resid 25 and name HG#)  5.0 3.2 1.0  !!
assign (resid 26 and name HA ) (resid 26 and name HB#)  3.5 1.7 1.0

assign (resid 26 and name HN ) (resid 25 and name HN )  3.5 1.7 0.0  !!0.240E+07

!K27
assign (resid 27 and name HN ) (resid 27 and name HA )  2.7 0.9 0.0  !!0.574E+07 ?
assign (resid 27 and name HN ) (resid 27 and name HB#)  3.5 1.7 1.0  !!0.106E+07 or 0.764E+06
assign (resid 27 and name HN ) (resid 27 and name HG#)  3.5 1.7 1.0  !!0.235E+07
assign (resid 27 and name HN ) (resid 27 and name HD#)  5.0 3.2 1.0  !!0.177E+06
assign (resid 27 and name HN ) (resid 23 and name HB#)  5.0 3.2 1.0  !!0.137E+07/2
assign (resid 27 and name HN ) (resid 25 and name HA )  5.0 3.2 0.0
assign (resid 27 and name HN ) (resid 26 and name HA )  3.5 1.7 0.0  !!0.201E+07/2
assign (resid 27 and name HN ) (resid 26 and name HB#)  5.0 3.2 1.0  !!0.599E+07/4?
assign (resid 27 and name HA ) (resid 27 and name HB#)  3.5 1.7 1.0  !!0.249E+07 or 213E+07/2?
assign (resid 27 and name HA ) (resid 27 and name HG#)  2.7 0.9 1.0  !!0.321E+07
assign (resid 27 and name HA ) (resid 27 and name HD#)  3.5 1.7 1.0  !!0.261E+07/2?
assign (resid 27 and name HA ) (resid 27 and name HE#)  5.0 3.2 1.0
assign (resid 27 and name HA ) (resid 11 and name HG#)  5.0 3.2 1.0
assign (resid 27 and name HB#) (resid 27 and name HG#)  3.5 1.7 2.0  !!0.259E+07
assign (resid 27 and name HB#) (resid 27 and name HD#)  3.5 1.7 2.0
assign (resid 27 and name HD#) (resid 27 and name HG#)  3.5 1.7 2.0  !!


!W28
assign (resid 28 and name HN ) (resid 28 and name HA )  5.0 3.2 0.0  !!0.147E+06
assign (resid 28 and name HN ) (resid 27 and name HA )  3.5 1.7 0.0  !!0.862E+06
assign (resid 28 and name HN ) (resid 27 and name HN )  3.5 1.7 0.0  !!0.101E+07

assign (resid 28 and name HD1) (resid 28 and name HA )  5.0 3.2 0.0  !!0.318E+06
assign (resid 28 and name HD1) (resid 28 and name HB#)  3.5 1.7 1.0  !!0.128E+07 or 105E+07
assign (resid 28 and name HD1) (resid 6  and name HA#)  5.0 3.2 1.0  !!0.290E+06 or 0.594E+06
!assign (resid 28 and name HD1) (resid 8  and name HA )  5.0 3.2 0.0
!assign (resid 28 and name HD1) (resid 26 and name HA )  5.0 3.2 0.0  !!0.243E+06
assign (resid 28 and name HD1) (resid 26 and name HB#)  5.0 3.2 1.0  !!0.297E+06 or 0.101E+07?
assign (resid 28 and name HD1) (resid 30 and name HA )  5.0 3.2 0.0  !!0.665E+05  11/05
assign (resid 28 and name HD1) (resid 30 and name HB#)  5.0 3.2 1.0  !!0.346E+05
assign (resid 28 and name HD1) (resid 30 and name HG#)  5.0 3.2 1.0  !!0.296E+06 or 0.345E+06

assign (resid 28 and name HE1) (resid 28 and name HD1)  2.7 0.9 0.0  !!0.393E+07
assign (resid 28 and name HE1) (resid 28 and name HZ2)  3.5 1.7 0.0  !!0.185E+07
!assign (resid 28 and name HE1) (resid 28 and name HH2)  5.0 3.2 0.0  !!0.165E+06 11/05
assign (resid 28 and name HE1) (resid 23 and name HB#)  5.0 3.2 1.0  !!0.278E+06
!assign (resid 28 and name HE1) (resid 26 and name HA )  6.0 4.2 0.0  !!0.712E+05
assign (resid 28 and name HE1) (resid 26 and name HB#)  3.5 1.7 1.0  !!0.722E+06 or 0.259E+06
assign (resid 28 and name HE1) (resid 30 and name HG#)  5.0 3.2 1.0  !!0.329E+06 

!assign (resid 28 and name HE3) (resid 28 and name HA )  5.0 3.2 0.0  !!0.338E+06
assign (resid 28 and name HE3) (resid 28 and name HB#)  3.5 1.7 1.0  !!0.162E+07 or 299E+07/2
!assign (resid 28 and name HE3) (resid 5  and name HB#)  5.0 3.2 1.0  !!0.134E+06
assign (resid 28 and name HE3) (resid 6  and name HA#)  3.5 1.7 1.0  !!0.817E+06 or 299E+07/2
assign (resid 28 and name HE3) (resid 8  and name HA )  5.0 3.2 0.0  !!(d2o)
assign (resid 28 and name HE3) (resid 26 and name HB#)  5.0 3.2 1.0  !!0.145E+06 
!assign (resid 28 and name HE3) (resid 30 and name HA )  5.0 3.2 0.0  !!0.291E+06
!assign (resid 28 and name HE3) (resid 30 and name HB#)  5.0 3.2 1.0  !!0.967E+05  11/05
!assign (resid 28 and name HE3) (resid 30 and name HG#)  5.0 3.2 1.0  !!0.240E+06 or 0.304E+06 11/05


!assign (resid 28 and name HZ3) (resid 30 and name HA )  5.0 3.2 0.0  !!0.436E+06
assign (resid 28 and name HZ3) (resid 6  and name HA#)  5.0 3.2 1.0  !!0.252E+06 or 0.278E+06

assign (resid 28 and name HA ) (resid 28 and name HB#)  2.7 0.9 1.0  !!0.313E+07 or 0.257E+07
assign (resid 28 and name HA ) (resid  8 and name HA )  3.5 1.7 0.0  !!0.252E+07 (d2o) 11/05
assign (resid 28 and name HA ) (resid  8 and name HB#)  5.0 3.2 1.0  !!0.336E+06 (d2o)

!C29
assign (resid 29 and name HN ) (resid 29 and name HA )  5.0 3.2 0.0
assign (resid 29 and name HN ) (resid 29 and name HB#)  3.5 1.7 1.0  !!0.263E+07 or 0.294E+07/2
assign (resid 29 and name HN ) (resid 5  and name HA )  5.0 3.2 0.0
assign (resid 29 and name HN ) (resid 7  and name HB#)  5.0 3.2 1.0  !!0.154E+06 or 0.779E+05
assign (resid 29 and name HN ) (resid 28 and name HA )  2.7 0.9 0.0  !!0.335E+07
assign (resid 29 and name HN ) (resid 28 and name HB#)  3.5 1.7 1.0  !!0.110E+07 or 0.294E+07/2
assign (resid 29 and name HA ) (resid 29 and name HB#)  3.5 1.7 1.0  !!0.177E+07 or 0.499E+06 (d2o)
assign (resid 29 and name HA ) (resid 16 and name HB#)  5.0 3.2 1.0
assign (resid 29 and name HA ) (resid 22 and name HA )  2.7 0.9 0.0
 
assign (resid 29 and name HN ) (resid 7  and name HN )  3.5 1.7 0.0  !!0.670E+06
assign (resid 29 and name HN ) (resid 28 and name HD1)  5.0 3.2 0.0  !!0.314E+06
!assign (resid 29 and name HN ) (resid 28 and name HE3)  6.0 4.2 0.0  !!0.576E+06

!K30
assign (resid 30 and name HN ) (resid 30 and name HA )  5.0 3.2 0.0  !!0.524E+06
assign (resid 30 and name HN ) (resid 30 and name HB#)  3.5 1.7 1.0  !!0.642E+06 or 0.142E+07/2
assign (resid 30 and name HN ) (resid 30 and name HG#)  5.0 3.2 1.0  !!0.548E+06 or 0.296E+06
assign (resid 30 and name HN ) (resid 30 and name HD#)  5.0 3.2 1.0  !!
assign (resid 30 and name HN ) (resid 20 and name HA )  5.0 3.2 0.0  !! 11/05
assign (resid 30 and name HN ) (resid 20 and name HB#)  5.0 3.2 1.0  !!0.704E+06
assign (resid 30 and name HN ) (resid 29 and name HB#)  5.0 3.2 0.0  !!0.376E+06 or 0.358E+06
assign (resid 30 and name HN ) (resid 22 and name HA )  5.0 3.2 0.0  !!noe400
assign (resid 30 and name HA ) (resid 30 and name HB#)  3.5 1.7 1.0  !!0.842E+06 or 0.134E+07 (d2o)
assign (resid 30 and name HA ) (resid 30 and name HG#)  3.5 1.7 1.0  !!0.408E+06 or 0.928E+06 (d2o)
assign (resid 30 and name HA ) (resid 5  and name HA )  5.0 3.2 0.0  !!0.173E+06 (d2o) weak
!assign (resid 30 and name HA ) (resid 20 or 16 or 23 and name HB#) 5.0 3.2  1.0  !!0.643E+05
assign (resid 30 and name HA ) (resid 31 and name HA )  5.0 3.2 0.0  !!0.100E+06  weak
assign (resid 30 and name HB#) (resid 30 and name HG#)  3.5 1.7 2.0  !!0.544E+06
assign (resid 30 and name HE#) (resid 30 and name HG#)  3.5 1.7 2.0
assign (resid 30 and name HE#) (resid 30 and name HD#)  3.5 1.7 2.0


!V31
assign (resid 31 and name HN ) (resid 31 and name HA )  3.5 1.7 0.0  !!0.110E+07
assign (resid 31 and name HN ) (resid 31 and name HB )  2.7 0.9 0.0  !!0.305E+07
assign (resid 31 and name HN ) (resid 31 and name HG#)  3.5 1.7 2.4  !!0.228E+07 or 0.494E+06
assign (resid 31 and name HN ) (resid 20 and name HA )  5.0 3.2 0.0
assign (resid 31 and name HN ) (resid 30 and name HA )  3.5 1.7 0.0  !!0.169E+07
assign (resid 31 and name HN ) (resid 30 and name HB#)  3.5 1.7 1.0  !!0.144E+07 or 0.659E+06
assign (resid 31 and name HN ) (resid 30 and name HG#)  5.0 3.2 1.0  !!0.190E+06
assign (resid 31 and name HA ) (resid 31 and name HB )  3.5 1.7 0.0  !!0.137E+07
assign (resid 31 and name HA ) (resid 31 and name HG#)  3.5 1.7 2.4  !!0.278E+07 or 0.155E+07
!assign (resid 31 and name HA ) (resid 20 and name HB#)  5.0 3.2 1.0  !! 0.171E+06 (d2o)
assign (resid 31 and name HB ) (resid 31 and name HG#)  5.0 3.2 2.4  !!0.185E+07 or 0.135E+07

assign (resid 31 and name HN ) (resid 32 and name HN )  5.0 3.2 0.0  !!0.223E+06
assign (resid 31 and name HN ) (resid 5  and name HD#)  5.0 3.2 2.4  !!0.881E+06/2
assign (resid 31 and name HN ) (resid 5  and name HE#)  5.0 3.2 2.4  !!0.809E+06 

!L32
assign (resid 32 and name HN ) (resid 32 and name HA )  3.5 1.7 0.0  !!0.632E+07/2  11/05
assign (resid 32 and name HN ) (resid 32 and name HB#)  3.5 1.7 1.0  !!0.113E+07 or 0.238E+07/3?
assign (resid 32 and name HN ) (resid 32 and name HG )  5.0 3.2 0.0  !!0.238E+07/3?
assign (resid 32 and name HN ) (resid 20 and name HA )  3.5 1.7 0.0  !!0.181E+07 
assign (resid 32 and name HN ) (resid 31 and name HA )  2.7 0.9 0.0  !!0.630E+07
assign (resid 32 and name HN ) (resid 31 and name HB )  5.0 3.2 0.0  !!0.447E+06
assign (resid 32 and name HN ) (resid 31 and name HG#)  5.0 3.2 2.4  !!0.327E+06 or 0.974E+06
assign (resid 32 and name HA ) (resid 32 and name HB#)  3.5 1.7 1.0  !!0.994E+06 or 0.932E+06
assign (resid 32 and name HA ) (resid 32 and name HG )  3.5 1.7 0.0
assign (resid 32 and name HA ) (resid 32 and name HD#)  5.0 3.2 2.4  !!0.188E+07/3

!L33
assign (resid 33 and name HN ) (resid 33 and name HA )  3.5 1.7 0.0  !!0.505E+07 /2
assign (resid 33 and name HN ) (resid 33 and name HB#)  5.0 3.2 1.0  !!0.109E+06
assign (resid 33 and name HN ) (resid 33 and name HG )  3.5 1.7 0.0  !!0.152E+07
assign (resid 33 and name HN ) (resid 33 and name HD#)  5.0 3.2 2.4  !!0.182E+06 or 0.379E+06
assign (resid 33 and name HN ) (resid 32 and name HA )  3.5 1.7 0.0  !!0.505E+07 /2 ?
assign (resid 33 and name HN ) (resid 32 and name HB#)  5.0 3.2 1.0  !!0.207E+06 or 0.378E+05
assign (resid 33 and name HN ) (resid 32 and name HG )  5.0 3.2 0.0  !!0.829E+05
assign (resid 33 and name HA ) (resid 33 and name HB#)  3.5 1.7 1.0
assign (resid 33 and name HA ) (resid 33 and name HG )  3.5 1.7 0.0  !!
assign (resid 33 and name HA ) (resid 33 and name HD#)  5.0 3.2 2.4

!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 22 and  name SG) 2.02 0.02 0.02
assign (resid  9 and name SG)  (resid 22 and  name CB) 2.99 0.5 0.5
assign (resid  9 and name CB)  (resid 22 and  name SG) 2.99 0.5 0.5
assign (resid 16 and name SG)  (resid 29 and  name SG) 2.02 0.02 0.02
assign (resid 16 and name SG)  (resid 29 and  name CB) 2.99 0.5 0.5
assign (resid 16 and name CB)  (resid 29 and  name SG) 2.99 0.5 0.5


!hbonds
!assign (resid 7  and name n)  (resid 29 and name o) 2.8 0.4 0.5
!assign (resid 7  and name hn) (resid 29 and name o) 1.8 0.3 0.5
assign (resid 29 and name n)  (resid 7  and name o) 2.8 0.4 0.5
assign (resid 29 and name hn) (resid 7  and name o) 1.8 0.3 0.5

assign (resid 21 and name n)  (resid 30 and name o) 2.8 0.4 0.5
assign (resid 21 and name hn) (resid 30 and name o) 1.8 0.3 0.5
assign (resid 30 and name n)  (resid 21 and name o) 2.8 0.4 0.5
assign (resid 30 and name hn) (resid 21 and name o) 1.8 0.3 0.5

assign (resid 20 and name n)  (resid 17 and name o) 2.8 0.4 0.5
assign (resid 20 and name hn) (resid 17 and name o) 1.8 0.3 0.5

assign (resid  9 and name n)  (resid 27 and name o) 2.8 0.4 0.5
assign (resid  9 and name hn) (resid 27 and name o) 1.8 0.3 0.5

!assign (resid 23 and name n)  (resid 28 and name o) 2.8 0.4 0.5
!assign (resid 23 and name hn) (resid 28 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  -7.217   7.569  -7.134
    2   2H    GLU   1          2H        GLU   1  -8.406   8.763  -6.914
    3   3H    GLU   1          3H        GLU   1  -8.370   7.398  -5.904
    4    HA   GLU   1           HA       GLU   1  -6.081   9.277  -6.031
    5   1HB   GLU   1          2HB       GLU   1  -7.157  10.445  -4.123
    6   2HB   GLU   1          1HB       GLU   1  -8.152  10.536  -5.574
    7   1HG   GLU   1          2HG       GLU   1  -8.790   8.146  -4.055
    8   2HG   GLU   1          1HG       GLU   1  -8.943   9.583  -3.046
    9    H    CYS   2           H        CYS   2  -5.557   6.646  -5.854
   10    HA   CYS   2           HA       CYS   2  -5.055   6.208  -2.934
   11   1HB   CYS   2          2HB       CYS   2  -5.580   3.778  -3.403
   12   2HB   CYS   2          1HB       CYS   2  -6.964   4.857  -3.556
   13    H    LYS   3           H        LYS   3  -3.420   4.204  -2.794
   14    HA   LYS   3           HA       LYS   3  -1.108   4.921  -4.517
   15   1HB   LYS   3          2HB       LYS   3  -1.373   3.096  -2.100
   16   2HB   LYS   3          1HB       LYS   3   0.143   3.640  -2.817
   17   1HG   LYS   3          2HG       LYS   3  -1.955   5.536  -1.724
   18   2HG   LYS   3          1HG       LYS   3  -0.589   4.952  -0.777
   19   1HD   LYS   3          2HD       LYS   3   0.851   6.367  -1.793
   20   2HD   LYS   3          1HD       LYS   3   0.230   5.970  -3.395
   21   1HE   LYS   3          2HE       LYS   3  -1.140   7.796  -3.437
   22   2HE   LYS   3          1HE       LYS   3  -1.636   7.567  -1.749
   23   1HZ   LYS   3          1HZ       LYS   3  -0.286   9.543  -1.924
   24   2HZ   LYS   3          2HZ       LYS   3   0.959   8.677  -2.688
   25   3HZ   LYS   3          3HZ       LYS   3   0.573   8.359  -1.064
   26    H    GLY   4           H        GLY   4  -0.412   3.590  -6.162
   27   1HA   GLY   4          2HA       GLY   4  -1.936   1.152  -6.752
   28   2HA   GLY   4          1HA       GLY   4  -0.673   1.855  -7.762
   29    H    PHE   5           H        PHE   5   1.586   1.495  -7.088
   30    HA   PHE   5           HA       PHE   5   2.044  -0.662  -5.099
   31   1HB   PHE   5          2HB       PHE   5   1.496  -1.829  -7.177
   32   2HB   PHE   5          1HB       PHE   5   2.662  -0.849  -8.067
   33    HD1  PHE   5           HD1      PHE   5   4.705  -1.860  -8.518
   34    HD2  PHE   5           HD2      PHE   5   2.597  -2.925  -4.929
   35    HE1  PHE   5           HE1      PHE   5   6.505  -3.461  -7.935
   36    HE2  PHE   5           HE2      PHE   5   4.398  -4.527  -4.347
   37    HZ   PHE   5           HZ       PHE   5   6.353  -4.794  -5.850
   38    H    GLY   6           H        GLY   6   3.940  -0.246  -4.034
   39   1HA   GLY   6          2HA       GLY   6   6.143   0.507  -3.656
   40   2HA   GLY   6          1HA       GLY   6   6.267   0.891  -5.373
   41    H    LYS   7           H        LYS   7   3.737   2.088  -3.200
   42    HA   LYS   7           HA       LYS   7   4.874   4.851  -3.503
   43   1HB   LYS   7          2HB       LYS   7   2.516   3.734  -4.552
   44   2HB   LYS   7          1HB       LYS   7   1.985   4.709  -3.183
   45   1HG   LYS   7          2HG       LYS   7   3.878   5.740  -5.310
   46   2HG   LYS   7          1HG       LYS   7   2.129   5.958  -5.385
   47   1HD   LYS   7          2HD       LYS   7   2.231   7.053  -3.127
   48   2HD   LYS   7          1HD       LYS   7   3.990   6.962  -3.212
   49   1HE   LYS   7          2HE       LYS   7   2.681   8.149  -5.599
   50   2HE   LYS   7          1HE       LYS   7   2.576   9.110  -4.111
   51   1HZ   LYS   7          1HZ       LYS   7   4.945   8.865  -3.796
   52   2HZ   LYS   7          2HZ       LYS   7   4.650   9.532  -5.330
   53   3HZ   LYS   7          3HZ       LYS   7   5.071   7.893  -5.182
   54    H    SER   8           H        SER   8   5.205   5.859  -1.567
   55    HA   SER   8           HA       SER   8   4.924   4.711   0.972
   56   1HB   SER   8          2HB       SER   8   5.136   7.085   1.751
   57   2HB   SER   8          1HB       SER   8   6.274   6.682   0.470
   58    HG   SER   8           HG       SER   8   5.406   8.277  -0.576
   59    H    CYS   9           H        CYS   9   3.171   4.257   2.234
   60    HA   CYS   9           HA       CYS   9   0.724   5.944   2.040
   61   1HB   CYS   9          2HB       CYS   9  -0.664   4.032   1.567
   62   2HB   CYS   9          1HB       CYS   9   0.670   3.981   0.416
   63    H    VAL  10           H        VAL  10  -0.925   4.980   3.786
   64    HA   VAL  10           HA       VAL  10   0.668   4.397   6.263
   65    HB   VAL  10           HB       VAL  10  -1.944   5.870   5.794
   66   1HG1  VAL  10          1HG1      VAL  10  -2.146   4.776   7.916
   67   2HG1  VAL  10          2HG1      VAL  10  -1.683   6.443   8.259
   68   3HG1  VAL  10          3HG1      VAL  10  -0.478   5.157   8.343
   69   1HG2  VAL  10          1HG2      VAL  10  -0.576   7.784   6.739
   70   2HG2  VAL  10          2HG2      VAL  10  -0.057   7.220   5.151
   71   3HG2  VAL  10          3HG2      VAL  10   0.843   6.747   6.592
   72    HA   PRO  11           HA       PRO  11  -1.726   0.594   6.002
   73   1HB   PRO  11          2HB       PRO  11  -0.377  -0.708   7.996
   74   2HB   PRO  11          1HB       PRO  11   0.246  -0.567   6.340
   75   1HG   PRO  11          2HG       PRO  11   0.994   0.952   8.779
   76   2HG   PRO  11          1HG       PRO  11   2.003   0.411   7.429
   77   1HD   PRO  11          2HD       PRO  11   1.094   2.985   7.748
   78   2HD   PRO  11          1HD       PRO  11   1.560   2.270   6.190
   79    H    GLY  12           H        GLY  12  -3.605   0.111   7.117
   80   1HA   GLY  12          2HA       GLY  12  -4.379  -0.222   9.612
   81   2HA   GLY  12          1HA       GLY  12  -4.060   1.510   9.708
   82    H    LYS  13           H        LYS  13  -5.086   2.653   7.582
   83    HA   LYS  13           HA       LYS  13  -7.987   1.983   7.699
   84   1HB   LYS  13          2HB       LYS  13  -6.271   4.357   7.268
   85   2HB   LYS  13          1HB       LYS  13  -7.749   4.322   6.306
   86   1HG   LYS  13          2HG       LYS  13  -9.132   4.352   8.180
   87   2HG   LYS  13          1HG       LYS  13  -7.891   3.671   9.233
   88   1HD   LYS  13          2HD       LYS  13  -6.675   5.742   9.280
   89   2HD   LYS  13          1HD       LYS  13  -7.674   6.427   7.998
   90   1HE   LYS  13          2HE       LYS  13  -9.548   5.686   9.916
   91   2HE   LYS  13          1HE       LYS  13  -8.197   6.311  10.880
   92   1HZ   LYS  13          1HZ       LYS  13  -9.618   8.126  10.167
   93   2HZ   LYS  13          2HZ       LYS  13  -9.449   7.661   8.542
   94   3HZ   LYS  13          3HZ       LYS  13  -8.107   8.246   9.407
   95    H    ASN  14           H        ASN  14  -5.446   1.101   5.763
   96    HA   ASN  14           HA       ASN  14  -5.276   0.244   3.589
   97   1HB   ASN  14          2HB       ASN  14  -8.289   0.262   3.977
   98   2HB   ASN  14          1HB       ASN  14  -7.465  -0.569   2.660
   99   1HD2  ASN  14          1HD2      ASN  14  -5.940  -2.354   3.284
  100   2HD2  ASN  14          2HD2      ASN  14  -6.172  -3.168   4.755
  101    H    GLU  15           H        GLU  15  -4.559   2.623   3.227
  102    HA   GLU  15           HA       GLU  15  -6.439   4.304   1.697
  103   1HB   GLU  15          2HB       GLU  15  -3.754   4.477   2.940
  104   2HB   GLU  15          1HB       GLU  15  -3.977   5.467   1.499
  105   1HG   GLU  15          2HG       GLU  15  -4.960   6.978   2.864
  106   2HG   GLU  15          1HG       GLU  15  -6.333   5.875   2.900
  107    H    CYS  16           H        CYS  16  -4.213   1.769   0.991
  108    HA   CYS  16           HA       CYS  16  -3.245   2.573  -1.588
  109   1HB   CYS  16          2HB       CYS  16  -3.515   0.112   0.056
  110   2HB   CYS  16          1HB       CYS  16  -3.333  -0.146  -1.679
  111    H    CYS  17           H        CYS  17  -3.943   1.417  -3.660
  112    HA   CYS  17           HA       CYS  17  -6.737   1.900  -4.212
  113   1HB   CYS  17          2HB       CYS  17  -4.550   0.421  -5.713
  114   2HB   CYS  17          1HB       CYS  17  -6.098   0.884  -6.416
  115    H    SER  18           H        SER  18  -8.204   0.150  -5.117
  116    HA   SER  18           HA       SER  18  -8.636  -1.966  -3.253
  117   1HB   SER  18          2HB       SER  18 -10.285  -2.704  -4.955
  118   2HB   SER  18          1HB       SER  18 -10.342  -0.959  -4.726
  119    HG   SER  18           HG       SER  18 -10.166  -1.070  -6.853
  120    H    GLY  19           H        GLY  19  -7.484  -3.831  -3.012
  121   1HA   GLY  19          2HA       GLY  19  -6.761  -5.965  -4.067
  122   2HA   GLY  19          1HA       GLY  19  -6.161  -5.012  -5.425
  123    H    TYR  20           H        TYR  20  -4.894  -2.929  -3.925
  124    HA   TYR  20           HA       TYR  20  -2.500  -4.417  -2.961
  125   1HB   TYR  20          2HB       TYR  20  -2.929  -1.469  -3.558
  126   2HB   TYR  20          1HB       TYR  20  -1.378  -2.274  -3.332
  127    HD1  TYR  20           HD1      TYR  20  -3.405  -0.963  -5.770
  128    HD2  TYR  20           HD2      TYR  20  -1.296  -4.596  -4.878
  129    HE1  TYR  20           HE1      TYR  20  -3.358  -1.526  -8.183
  130    HE2  TYR  20           HE2      TYR  20  -1.249  -5.161  -7.291
  131    HH   TYR  20           HH       TYR  20  -1.482  -3.309  -9.617
  132    H    ALA  21           H        ALA  21  -1.575  -3.966  -0.893
  133    HA   ALA  21           HA       ALA  21  -3.251  -2.348   0.998
  134   1HB   ALA  21          1HB       ALA  21  -2.084  -5.128   1.352
  135   2HB   ALA  21          2HB       ALA  21  -3.795  -4.713   1.251
  136   3HB   ALA  21          3HB       ALA  21  -2.846  -4.201   2.646
  137    H    CYS  22           H        CYS  22  -2.043  -1.421   2.759
  138    HA   CYS  22           HA       CYS  22   0.722  -0.746   2.132
  139   1HB   CYS  22          2HB       CYS  22  -1.200  -0.206   4.404
  140   2HB   CYS  22          1HB       CYS  22   0.450   0.418   4.413
  141    H    ASN  23           H        ASN  23   2.592  -1.563   3.088
  142    HA   ASN  23           HA       ASN  23   2.246  -3.891   4.943
  143   1HB   ASN  23          2HB       ASN  23   4.352  -4.669   4.003
  144   2HB   ASN  23          1HB       ASN  23   3.278  -4.226   2.681
  145   1HD2  ASN  23          1HD2      ASN  23   6.041  -4.295   2.194
  146   2HD2  ASN  23          2HD2      ASN  23   6.626  -2.716   1.992
  147    H    SER  24           H        SER  24   4.447  -4.155   6.299
  148    HA   SER  24           HA       SER  24   4.896  -1.528   7.670
  149   1HB   SER  24          2HB       SER  24   4.905  -4.420   8.538
  150   2HB   SER  24          1HB       SER  24   5.589  -3.153   9.552
  151    HG   SER  24           HG       SER  24   3.181  -3.807   9.639
  152    H    ARG  25           H        ARG  25   6.474  -3.633   5.549
  153    HA   ARG  25           HA       ARG  25   9.158  -3.437   6.747
  154   1HB   ARG  25          2HB       ARG  25   7.894  -5.203   5.101
  155   2HB   ARG  25          1HB       ARG  25   8.776  -4.242   3.914
  156   1HG   ARG  25          2HG       ARG  25  10.876  -4.630   5.133
  157   2HG   ARG  25          1HG       ARG  25  10.006  -5.561   6.352
  158   1HD   ARG  25          2HD       ARG  25   9.191  -6.931   4.195
  159   2HD   ARG  25          1HD       ARG  25  10.731  -6.325   3.552
  160    HE   ARG  25           HE       ARG  25  11.861  -7.358   5.498
  161   1HH1  ARG  25          2HH1      ARG  25  10.618  -9.677   4.138
  162   2HH1  ARG  25          1HH1      ARG  25   9.759 -10.460   5.422
  163   1HH2  ARG  25          1HH2      ARG  25   9.860  -7.699   7.526
  164   2HH2  ARG  25          2HH2      ARG  25   9.329  -9.337   7.346
  165    H    ASP  26           H        ASP  26   7.624  -2.246   3.725
  166    HA   ASP  26           HA       ASP  26   9.759  -0.162   3.518
  167   1HB   ASP  26          2HB       ASP  26   8.925  -1.978   1.722
  168   2HB   ASP  26          1HB       ASP  26   7.765  -0.700   1.363
  169    H    LYS  27           H        LYS  27   6.639  -0.457   4.710
  170    HA   LYS  27           HA       LYS  27   4.924   1.081   5.185
  171   1HB   LYS  27          2HB       LYS  27   7.526   2.510   5.139
  172   2HB   LYS  27          1HB       LYS  27   6.097   3.541   5.090
  173   1HG   LYS  27          2HG       LYS  27   5.482   3.015   7.218
  174   2HG   LYS  27          1HG       LYS  27   5.962   1.326   7.044
  175   1HD   LYS  27          2HD       LYS  27   8.095   1.713   7.780
  176   2HD   LYS  27          1HD       LYS  27   8.171   3.312   7.038
  177   1HE   LYS  27          2HE       LYS  27   7.287   4.362   8.892
  178   2HE   LYS  27          1HE       LYS  27   6.262   2.975   9.314
  179   1HZ   LYS  27          1HZ       LYS  27   8.134   3.186  10.847
  180   2HZ   LYS  27          2HZ       LYS  27   9.226   3.064   9.551
  181   3HZ   LYS  27          3HZ       LYS  27   8.236   1.745   9.959
  182    H    TRP  28           H        TRP  28   5.041   0.246   2.440
  183    HA   TRP  28           HA       TRP  28   3.881   2.669   1.143
  184   1HB   TRP  28          2HB       TRP  28   5.173   2.267  -0.867
  185   2HB   TRP  28          1HB       TRP  28   6.281   2.348   0.493
  186    HD1  TRP  28           HD1      TRP  28   4.790  -0.929   0.843
  187    HE1  TRP  28           HE1      TRP  28   6.225  -2.756  -0.266
  188    HE3  TRP  28           HE3      TRP  28   7.858   1.976  -2.022
  189    HZ2  TRP  28           HZ2      TRP  28   8.391  -2.963  -2.119
  190    HZ3  TRP  28           HZ3      TRP  28   9.599   0.939  -3.446
  191    HH2  TRP  28           HH2      TRP  28   9.870  -1.525  -3.499
  192    H    CYS  29           H        CYS  29   3.124   1.639  -1.256
  193    HA   CYS  29           HA       CYS  29   0.936  -0.148  -0.512
  194   1HB   CYS  29          2HB       CYS  29   1.243   1.846  -2.295
  195   2HB   CYS  29          1HB       CYS  29   1.598   0.478  -3.353
  196    H    LYS  30           H        LYS  30   0.933  -2.340  -0.697
  197    HA   LYS  30           HA       LYS  30   2.862  -3.666  -2.559
  198   1HB   LYS  30          2HB       LYS  30   3.810  -3.516  -0.258
  199   2HB   LYS  30          1HB       LYS  30   2.389  -4.356   0.363
  200   1HG   LYS  30          2HG       LYS  30   2.923  -6.347  -0.881
  201   2HG   LYS  30          1HG       LYS  30   4.199  -5.516  -1.771
  202   1HD   LYS  30          2HD       LYS  30   4.551  -5.313   1.126
  203   2HD   LYS  30          1HD       LYS  30   4.540  -6.985   0.566
  204   1HE   LYS  30          2HE       LYS  30   6.105  -5.278  -1.216
  205   2HE   LYS  30          1HE       LYS  30   6.727  -5.251   0.445
  206   1HZ   LYS  30          1HZ       LYS  30   6.039  -7.698  -1.098
  207   2HZ   LYS  30          2HZ       LYS  30   6.633  -7.663   0.493
  208   3HZ   LYS  30          3HZ       LYS  30   7.612  -7.143  -0.795
  209    H    VAL  31           H        VAL  31   1.896  -5.372  -3.639
  210    HA   VAL  31           HA       VAL  31  -0.931  -5.848  -3.429
  211    HB   VAL  31           HB       VAL  31   0.388  -6.160  -5.477
  212   1HG1  VAL  31          1HG1      VAL  31   1.829  -8.177  -3.771
  213   2HG1  VAL  31          2HG1      VAL  31   2.499  -6.939  -4.832
  214   3HG1  VAL  31          3HG1      VAL  31   1.768  -8.389  -5.520
  215   1HG2  VAL  31          1HG2      VAL  31  -0.590  -8.236  -6.210
  216   2HG2  VAL  31          2HG2      VAL  31  -1.705  -7.517  -5.049
  217   3HG2  VAL  31          3HG2      VAL  31  -0.661  -8.850  -4.558
  218    H    LEU  32           H        LEU  32  -2.065  -7.602  -2.506
  219    HA   LEU  32           HA       LEU  32  -1.064  -8.707  -0.058
  220   1HB   LEU  32          2HB       LEU  32  -3.488  -8.427  -1.400
  221   2HB   LEU  32          1HB       LEU  32  -3.252 -10.174  -1.337
  222    HG   LEU  32           HG       LEU  32  -2.639  -9.753   1.168
  223   1HD1  LEU  32          1HD1      LEU  32  -4.045  -7.203   0.356
  224   2HD1  LEU  32          2HD1      LEU  32  -2.533  -7.379   1.247
  225   3HD1  LEU  32          3HD1      LEU  32  -4.065  -7.785   2.021
  226   1HD2  LEU  32          1HD2      LEU  32  -5.480  -9.440   0.142
  227   2HD2  LEU  32          2HD2      LEU  32  -5.035  -9.938   1.775
  228   3HD2  LEU  32          3HD2      LEU  32  -4.642 -10.970   0.400
  229    H    LEU  33           H        LEU  33  -1.712 -10.298  -3.195
  230    HA   LEU  33           HA       LEU  33  -0.281 -12.731  -2.305
  231   1HB   LEU  33          1HB       LEU  33  -1.182 -13.661  -4.370
  232   2HB   LEU  33          2HB       LEU  33  -2.451 -12.754  -3.551
  233    HG   LEU  33           HG       LEU  33  -1.068 -10.911  -5.216
  234   1HD1  LEU  33          1HD1      LEU  33  -0.289 -13.024  -6.389
  235   2HD1  LEU  33          2HD1      LEU  33  -1.982 -13.349  -6.764
  236   3HD1  LEU  33          3HD1      LEU  33  -1.199 -11.903  -7.402
  237   1HD2  LEU  33          1HD2      LEU  33  -3.454 -10.841  -4.559
  238   2HD2  LEU  33          2HD2      LEU  33  -3.275 -10.753  -6.311
  239   3HD2  LEU  33          3HD2      LEU  33  -3.765 -12.267  -5.550
  240   1HN   NH2  34          1HN       NH2  34   2.802 -12.147  -3.448
  241   2HN   NH2  34          2HN       NH2  34   1.624 -12.675  -2.226
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1  12.881   4.805   3.365
    2   2H    GLU   1          2H        GLU   1  13.564   5.814   4.547
    3   3H    GLU   1          3H        GLU   1  12.684   6.486   3.258
    4    HA   GLU   1           HA       GLU   1  11.576   4.781   5.436
    5   1HB   GLU   1          2HB       GLU   1  12.373   7.286   5.692
    6   2HB   GLU   1          1HB       GLU   1  10.888   7.641   4.809
    7   1HG   GLU   1          2HG       GLU   1   9.519   6.787   6.501
    8   2HG   GLU   1          1HG       GLU   1  10.804   5.781   7.169
    9    H    CYS   2           H        CYS   2   9.349   4.275   5.180
   10    HA   CYS   2           HA       CYS   2   7.911   5.210   2.762
   11   1HB   CYS   2          2HB       CYS   2   7.494   2.711   2.222
   12   2HB   CYS   2          1HB       CYS   2   9.080   3.371   1.827
   13    H    LYS   3           H        LYS   3   5.671   3.852   2.747
   14    HA   LYS   3           HA       LYS   3   4.406   4.415   5.326
   15   1HB   LYS   3          2HB       LYS   3   3.475   3.325   2.657
   16   2HB   LYS   3          1HB       LYS   3   2.379   3.582   4.014
   17   1HG   LYS   3          2HG       LYS   3   4.172   5.767   2.930
   18   2HG   LYS   3          1HG       LYS   3   2.531   5.502   2.341
   19   1HD   LYS   3          2HD       LYS   3   1.739   6.698   4.073
   20   2HD   LYS   3          1HD       LYS   3   2.397   5.495   5.181
   21   1HE   LYS   3          2HE       LYS   3   3.752   7.163   5.940
   22   2HE   LYS   3          1HE       LYS   3   4.639   6.984   4.413
   23   1HZ   LYS   3          1HZ       LYS   3   3.058   8.509   3.372
   24   2HZ   LYS   3          2HZ       LYS   3   3.860   9.255   4.671
   25   3HZ   LYS   3          3HZ       LYS   3   2.259   8.715   4.855
   26    H    GLY   4           H        GLY   4   3.747   2.923   6.857
   27   1HA   GLY   4          2HA       GLY   4   4.811   0.202   6.677
   28   2HA   GLY   4          1HA       GLY   4   3.934   0.884   8.046
   29    H    PHE   5           H        PHE   5   3.094  -1.536   7.631
   30    HA   PHE   5           HA       PHE   5   1.086  -1.853   5.539
   31   1HB   PHE   5          2HB       PHE   5   2.324  -3.746   6.416
   32   2HB   PHE   5          1HB       PHE   5   1.808  -3.379   8.061
   33    HD1  PHE   5           HD1      PHE   5  -0.347  -4.045   8.876
   34    HD2  PHE   5           HD2      PHE   5   0.653  -4.549   4.728
   35    HE1  PHE   5           HE1      PHE   5  -2.371  -5.441   8.557
   36    HE2  PHE   5           HE2      PHE   5  -1.371  -5.945   4.412
   37    HZ   PHE   5           HZ       PHE   5  -2.883  -6.391   6.325
   38    H    GLY   6           H        GLY   6  -1.166  -1.651   5.745
   39   1HA   GLY   6          2HA       GLY   6  -3.240  -1.160   6.762
   40   2HA   GLY   6          1HA       GLY   6  -2.437  -1.167   8.332
   41    H    LYS   7           H        LYS   7  -1.380   0.788   5.588
   42    HA   LYS   7           HA       LYS   7  -2.145   3.252   7.124
   43   1HB   LYS   7          2HB       LYS   7   0.333   2.249   5.981
   44   2HB   LYS   7          1HB       LYS   7  -0.074   3.820   5.293
   45   1HG   LYS   7          2HG       LYS   7   1.288   4.056   7.350
   46   2HG   LYS   7          1HG       LYS   7  -0.314   4.767   7.549
   47   1HD   LYS   7          2HD       LYS   7  -1.047   3.066   8.959
   48   2HD   LYS   7          1HD       LYS   7   0.108   1.898   8.318
   49   1HE   LYS   7          2HE       LYS   7   1.232   4.305   9.695
   50   2HE   LYS   7          1HE       LYS   7   0.492   3.049  10.707
   51   1HZ   LYS   7          1HZ       LYS   7   2.806   2.519  10.301
   52   2HZ   LYS   7          2HZ       LYS   7   2.572   2.621   8.623
   53   3HZ   LYS   7          3HZ       LYS   7   1.818   1.387   9.516
   54    H    SER   8           H        SER   8  -3.497   4.635   6.055
   55    HA   SER   8           HA       SER   8  -4.797   4.013   3.619
   56   1HB   SER   8          2HB       SER   8  -5.436   5.630   5.486
   57   2HB   SER   8          1HB       SER   8  -4.329   6.785   4.748
   58    HG   SER   8           HG       SER   8  -5.669   7.036   3.116
   59    H    CYS   9           H        CYS   9  -3.994   4.008   1.573
   60    HA   CYS   9           HA       CYS   9  -2.143   6.166   0.701
   61   1HB   CYS   9          2HB       CYS   9  -0.517   4.542  -0.114
   62   2HB   CYS   9          1HB       CYS   9  -0.819   4.220   1.592
   63    H    VAL  10           H        VAL  10  -2.009   6.270  -1.686
   64    HA   VAL  10           HA       VAL  10  -4.527   5.330  -2.960
   65    HB   VAL  10           HB       VAL  10  -2.352   7.275  -3.811
   66   1HG1  VAL  10          1HG1      VAL  10  -3.481   6.377  -5.772
   67   2HG1  VAL  10          2HG1      VAL  10  -4.066   8.016  -5.484
   68   3HG1  VAL  10          3HG1      VAL  10  -5.058   6.632  -5.024
   69   1HG2  VAL  10          1HG2      VAL  10  -4.270   8.925  -3.351
   70   2HG2  VAL  10          2HG2      VAL  10  -3.504   8.200  -1.939
   71   3HG2  VAL  10          3HG2      VAL  10  -5.062   7.597  -2.504
   72    HA   PRO  11           HA       PRO  11  -2.130   2.107  -4.919
   73   1HB   PRO  11          2HB       PRO  11  -4.173   1.081  -6.425
   74   2HB   PRO  11          1HB       PRO  11  -3.989   0.753  -4.690
   75   1HG   PRO  11          2HG       PRO  11  -5.802   2.661  -6.073
   76   2HG   PRO  11          1HG       PRO  11  -6.097   1.651  -4.650
   77   1HD   PRO  11          2HD       PRO  11  -5.548   4.325  -4.526
   78   2HD   PRO  11          1HD       PRO  11  -5.186   3.179  -3.216
   79    H    GLY  12           H        GLY  12  -1.247   1.779  -7.041
   80   1HA   GLY  12          2HA       GLY  12  -1.742   2.368  -9.537
   81   2HA   GLY  12          1HA       GLY  12  -1.758   4.028  -8.936
   82    H    LYS  13           H        LYS  13   0.292   4.520  -7.507
   83    HA   LYS  13           HA       LYS  13   2.671   3.648  -9.092
   84   1HB   LYS  13          2HB       LYS  13   1.711   6.087  -7.770
   85   2HB   LYS  13          1HB       LYS  13   3.402   5.736  -7.414
   86   1HG   LYS  13          2HG       LYS  13   4.033   6.360  -9.482
   87   2HG   LYS  13          1HG       LYS  13   2.858   5.272 -10.219
   88   1HD   LYS  13          2HD       LYS  13   1.970   7.262 -10.952
   89   2HD   LYS  13          1HD       LYS  13   1.170   7.189  -9.382
   90   1HE   LYS  13          2HE       LYS  13   3.136   8.498  -8.430
   91   2HE   LYS  13          1HE       LYS  13   3.667   8.754 -10.105
   92   1HZ   LYS  13          1HZ       LYS  13   2.203  10.544  -9.379
   93   2HZ   LYS  13          2HZ       LYS  13   0.979   9.423  -9.017
   94   3HZ   LYS  13          3HZ       LYS  13   1.480   9.650 -10.626
   95    H    ASN  14           H        ASN  14   1.191   2.510  -6.428
   96    HA   ASN  14           HA       ASN  14   1.882   1.324  -4.523
   97   1HB   ASN  14          2HB       ASN  14   3.853   1.042  -6.649
   98   2HB   ASN  14          1HB       ASN  14   4.600   0.863  -5.062
   99   1HD2  ASN  14          1HD2      ASN  14   1.573  -0.226  -6.731
  100   2HD2  ASN  14          2HD2      ASN  14   1.619  -1.796  -6.085
  101    H    GLU  15           H        GLU  15   1.653   3.348  -3.241
  102    HA   GLU  15           HA       GLU  15   4.182   4.784  -2.600
  103   1HB   GLU  15          2HB       GLU  15   1.241   5.177  -1.977
  104   2HB   GLU  15          1HB       GLU  15   2.498   6.192  -1.272
  105   1HG   GLU  15          2HG       GLU  15   3.218   6.943  -3.450
  106   2HG   GLU  15          1HG       GLU  15   2.168   5.776  -4.255
  107    H    CYS  16           H        CYS  16   4.605   2.335  -1.688
  108    HA   CYS  16           HA       CYS  16   4.260   2.546   1.265
  109   1HB   CYS  16          2HB       CYS  16   2.448   1.154  -0.044
  110   2HB   CYS  16          1HB       CYS  16   3.727  -0.055  -0.157
  111    H    CYS  17           H        CYS  17   5.568   0.578   2.277
  112    HA   CYS  17           HA       CYS  17   8.314   0.794   1.518
  113   1HB   CYS  17          2HB       CYS  17   6.747  -1.224   3.151
  114   2HB   CYS  17          1HB       CYS  17   8.508  -1.212   3.073
  115    H    SER  18           H        SER  18   9.698  -0.781   0.495
  116    HA   SER  18           HA       SER  18   8.727  -2.009  -1.879
  117   1HB   SER  18          2HB       SER  18  11.196  -2.294  -0.167
  118   2HB   SER  18          1HB       SER  18  11.003  -3.244  -1.637
  119    HG   SER  18           HG       SER  18  11.389  -0.510  -1.289
  120    H    GLY  19           H        GLY  19   7.814  -4.004  -2.268
  121   1HA   GLY  19          2HA       GLY  19   7.659  -6.416  -1.802
  122   2HA   GLY  19          1HA       GLY  19   7.904  -6.053  -0.094
  123    H    TYR  20           H        TYR  20   6.052  -3.767  -0.087
  124    HA   TYR  20           HA       TYR  20   3.473  -5.296  -0.169
  125   1HB   TYR  20          2HB       TYR  20   4.054  -2.735   1.337
  126   2HB   TYR  20          1HB       TYR  20   2.805  -3.931   1.670
  127    HD1  TYR  20           HD1      TYR  20   4.092  -6.479   1.741
  128    HD2  TYR  20           HD2      TYR  20   5.635  -2.685   3.035
  129    HE1  TYR  20           HE1      TYR  20   5.639  -7.637   3.294
  130    HE2  TYR  20           HE2      TYR  20   7.182  -3.844   4.587
  131    HH   TYR  20           HH       TYR  20   8.197  -6.619   4.435
  132    H    ALA  21           H        ALA  21   1.699  -4.376  -1.264
  133    HA   ALA  21           HA       ALA  21   2.229  -1.825  -2.764
  134   1HB   ALA  21          1HB       ALA  21   2.372  -3.690  -4.273
  135   2HB   ALA  21          2HB       ALA  21   0.789  -2.961  -4.542
  136   3HB   ALA  21          3HB       ALA  21   0.930  -4.436  -3.586
  137    H    CYS  22           H        CYS  22   0.357  -0.480  -3.117
  138    HA   CYS  22           HA       CYS  22  -1.632  -0.561  -0.983
  139   1HB   CYS  22          2HB       CYS  22  -1.088   1.146  -3.420
  140   2HB   CYS  22          1HB       CYS  22  -2.503   1.425  -2.404
  141    H    ASN  23           H        ASN  23  -3.608  -1.574  -1.082
  142    HA   ASN  23           HA       ASN  23  -4.535  -2.592  -3.748
  143   1HB   ASN  23          2HB       ASN  23  -4.717  -3.550  -0.897
  144   2HB   ASN  23          1HB       ASN  23  -5.854  -4.147  -2.107
  145   1HD2  ASN  23          1HD2      ASN  23  -4.924  -5.325  -3.996
  146   2HD2  ASN  23          2HD2      ASN  23  -3.390  -6.040  -3.875
  147    H    SER  24           H        SER  24  -6.969  -2.760  -3.928
  148    HA   SER  24           HA       SER  24  -8.219  -0.213  -3.084
  149   1HB   SER  24          2HB       SER  24  -8.333  -2.030  -5.285
  150   2HB   SER  24          1HB       SER  24  -9.946  -1.945  -4.583
  151    HG   SER  24           HG       SER  24 -10.082   0.106  -5.131
  152    H    ARG  25           H        ARG  25  -8.174  -3.499  -2.011
  153    HA   ARG  25           HA       ARG  25 -10.795  -3.956  -1.067
  154   1HB   ARG  25          2HB       ARG  25  -8.197  -5.050  -0.819
  155   2HB   ARG  25          1HB       ARG  25  -8.779  -4.817   0.829
  156   1HG   ARG  25          2HG       ARG  25 -10.924  -5.963   0.137
  157   2HG   ARG  25          1HG       ARG  25 -10.140  -6.361  -1.392
  158   1HD   ARG  25          2HD       ARG  25  -8.602  -7.818  -0.375
  159   2HD   ARG  25          1HD       ARG  25  -8.800  -7.065   1.220
  160    HE   ARG  25           HE       ARG  25 -11.018  -8.599  -0.087
  161   1HH1  ARG  25          2HH1      ARG  25 -11.351  -6.999   2.514
  162   2HH1  ARG  25          1HH1      ARG  25 -11.227  -8.264   3.690
  163   1HH2  ARG  25          1HH2      ARG  25  -9.865 -10.561   1.468
  164   2HH2  ARG  25          2HH2      ARG  25 -10.383 -10.284   3.097
  165    H    ASP  26           H        ASP  26  -8.074  -2.457   0.734
  166    HA   ASP  26           HA       ASP  26 -10.101  -1.105   2.492
  167   1HB   ASP  26          2HB       ASP  26  -8.387  -3.041   3.235
  168   2HB   ASP  26          1HB       ASP  26  -7.315  -1.652   3.410
  169    H    LYS  27           H        LYS  27  -8.225  -0.386  -0.036
  170    HA   LYS  27           HA       LYS  27  -7.025   1.499  -0.782
  171   1HB   LYS  27          2HB       LYS  27  -8.951   2.555   1.303
  172   2HB   LYS  27          1HB       LYS  27  -7.980   3.627   0.294
  173   1HG   LYS  27          2HG       LYS  27  -9.299   1.546  -1.276
  174   2HG   LYS  27          1HG       LYS  27 -10.455   2.538  -0.387
  175   1HD   LYS  27          2HD       LYS  27 -10.196   3.798  -2.326
  176   2HD   LYS  27          1HD       LYS  27  -8.978   4.533  -1.285
  177   1HE   LYS  27          2HE       LYS  27  -7.714   4.139  -3.215
  178   2HE   LYS  27          1HE       LYS  27  -7.431   2.624  -2.337
  179   1HZ   LYS  27          1HZ       LYS  27  -9.323   1.641  -3.472
  180   2HZ   LYS  27          2HZ       LYS  27  -8.187   2.197  -4.605
  181   3HZ   LYS  27          3HZ       LYS  27  -9.605   3.087  -4.314
  182    H    TRP  28           H        TRP  28  -5.525  -0.007   1.089
  183    HA   TRP  28           HA       TRP  28  -3.887   2.155   2.293
  184   1HB   TRP  28          2HB       TRP  28  -3.940   1.137   4.491
  185   2HB   TRP  28          1HB       TRP  28  -5.596   1.381   3.960
  186    HD1  TRP  28           HD1      TRP  28  -4.554  -1.489   2.037
  187    HE1  TRP  28           HE1      TRP  28  -5.200  -3.702   3.177
  188    HE3  TRP  28           HE3      TRP  28  -5.596   0.211   6.739
  189    HZ2  TRP  28           HZ2      TRP  28  -6.049  -4.635   5.740
  190    HZ3  TRP  28           HZ3      TRP  28  -6.323  -1.363   8.508
  191    HH2  TRP  28           HH2      TRP  28  -6.550  -3.782   8.015
  192    H    CYS  29           H        CYS  29  -1.999   0.704   3.605
  193    HA   CYS  29           HA       CYS  29  -0.511  -0.544   1.427
  194   1HB   CYS  29          2HB       CYS  29  -0.112   0.209   4.290
  195   2HB   CYS  29          1HB       CYS  29   0.982  -0.995   3.613
  196    H    LYS  30           H        LYS  30  -0.464  -2.704   0.946
  197    HA   LYS  30           HA       LYS  30  -1.295  -4.672   3.042
  198   1HB   LYS  30          2HB       LYS  30  -2.875  -3.805   0.945
  199   2HB   LYS  30          1HB       LYS  30  -2.143  -5.269   0.289
  200   1HG   LYS  30          2HG       LYS  30  -3.146  -5.450   3.080
  201   2HG   LYS  30          1HG       LYS  30  -4.372  -5.305   1.820
  202   1HD   LYS  30          2HD       LYS  30  -3.953  -7.383   0.998
  203   2HD   LYS  30          1HD       LYS  30  -2.209  -7.209   1.190
  204   1HE   LYS  30          2HE       LYS  30  -2.752  -8.885   2.771
  205   2HE   LYS  30          1HE       LYS  30  -2.731  -7.413   3.760
  206   1HZ   LYS  30          1HZ       LYS  30  -5.094  -7.171   3.453
  207   2HZ   LYS  30          2HZ       LYS  30  -4.780  -8.724   4.066
  208   3HZ   LYS  30          3HZ       LYS  30  -5.148  -8.517   2.421
  209    H    VAL  31           H        VAL  31  -0.199  -6.669   2.899
  210    HA   VAL  31           HA       VAL  31   2.341  -6.684   1.487
  211    HB   VAL  31           HB       VAL  31   0.797  -8.828   2.990
  212   1HG1  VAL  31          1HG1      VAL  31   3.215  -9.710   3.302
  213   2HG1  VAL  31          2HG1      VAL  31   3.616  -8.692   1.918
  214   3HG1  VAL  31          3HG1      VAL  31   2.435  -9.991   1.745
  215   1HG2  VAL  31          1HG2      VAL  31   2.585  -6.576   3.789
  216   2HG2  VAL  31          2HG2      VAL  31   2.796  -8.104   4.643
  217   3HG2  VAL  31          3HG2      VAL  31   1.229  -7.296   4.657
  218    H    LEU  32           H        LEU  32   2.803  -7.591  -0.493
  219    HA   LEU  32           HA       LEU  32   0.659  -8.436  -2.258
  220   1HB   LEU  32          2HB       LEU  32   3.663  -8.244  -2.334
  221   2HB   LEU  32          1HB       LEU  32   2.810  -9.056  -3.647
  222    HG   LEU  32           HG       LEU  32   1.812  -6.377  -2.758
  223   1HD1  LEU  32          1HD1      LEU  32   4.466  -6.922  -3.941
  224   2HD1  LEU  32          2HD1      LEU  32   3.886  -5.494  -3.084
  225   3HD1  LEU  32          3HD1      LEU  32   3.512  -5.708  -4.794
  226   1HD2  LEU  32          1HD2      LEU  32   0.636  -7.743  -4.476
  227   2HD2  LEU  32          2HD2      LEU  32   2.094  -7.720  -5.467
  228   3HD2  LEU  32          3HD2      LEU  32   1.228  -6.219  -5.138
  229    H    LEU  33           H        LEU  33   0.202 -10.550  -3.003
  230    HA   LEU  33           HA       LEU  33   1.034 -12.748  -1.202
  231   1HB   LEU  33          1HB       LEU  33  -0.975 -12.405  -3.444
  232   2HB   LEU  33          2HB       LEU  33  -0.698 -13.960  -2.661
  233    HG   LEU  33           HG       LEU  33  -1.052 -11.799  -0.724
  234   1HD1  LEU  33          1HD1      LEU  33  -3.335 -12.449  -2.615
  235   2HD1  LEU  33          2HD1      LEU  33  -3.475 -11.500  -1.135
  236   3HD1  LEU  33          3HD1      LEU  33  -2.517 -10.893  -2.486
  237   1HD2  LEU  33          1HD2      LEU  33  -1.158 -14.380  -0.476
  238   2HD2  LEU  33          2HD2      LEU  33  -2.376 -13.427   0.372
  239   3HD2  LEU  33          3HD2      LEU  33  -2.786 -14.237  -1.140
  240   1HN   NH2  34          1HN       NH2  34   3.186 -12.391  -4.454
  241   2HN   NH2  34          2HN       NH2  34   2.293 -11.187  -3.499
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1  12.116   5.652   4.875
    2   2H    GLU   1          2H        GLU   1  12.819   4.144   4.529
    3   3H    GLU   1          3H        GLU   1  13.225   4.964   5.960
    4    HA   GLU   1           HA       GLU   1  11.690   3.162   6.456
    5   1HB   GLU   1          2HB       GLU   1  11.452   5.972   6.999
    6   2HB   GLU   1          1HB       GLU   1   9.832   5.276   6.947
    7   1HG   GLU   1          2HG       GLU   1  10.827   3.395   8.437
    8   2HG   GLU   1          1HG       GLU   1  12.141   4.533   8.737
    9    H    CYS   2           H        CYS   2   9.883   1.980   5.831
   10    HA   CYS   2           HA       CYS   2   8.177   3.097   3.627
   11   1HB   CYS   2          2HB       CYS   2   8.273   0.858   2.601
   12   2HB   CYS   2          1HB       CYS   2   9.899   1.502   2.815
   13    H    LYS   3           H        LYS   3   6.123   1.620   3.409
   14    HA   LYS   3           HA       LYS   3   4.897   1.409   6.096
   15   1HB   LYS   3          2HB       LYS   3   4.095   1.787   3.298
   16   2HB   LYS   3          1HB       LYS   3   3.033   0.682   4.167
   17   1HG   LYS   3          2HG       LYS   3   2.014   2.583   4.888
   18   2HG   LYS   3          1HG       LYS   3   3.361   2.665   6.024
   19   1HD   LYS   3          2HD       LYS   3   4.633   3.969   4.255
   20   2HD   LYS   3          1HD       LYS   3   3.123   4.061   3.348
   21   1HE   LYS   3          2HE       LYS   3   2.984   4.850   6.222
   22   2HE   LYS   3          1HE       LYS   3   3.826   5.962   5.126
   23   1HZ   LYS   3          1HZ       LYS   3   1.109   4.824   4.713
   24   2HZ   LYS   3          2HZ       LYS   3   1.928   5.823   3.609
   25   3HZ   LYS   3          3HZ       LYS   3   1.461   6.431   5.125
   26    H    GLY   4           H        GLY   4   3.480  -0.562   6.519
   27   1HA   GLY   4          2HA       GLY   4   4.895  -3.035   5.604
   28   2HA   GLY   4          1HA       GLY   4   4.068  -2.880   7.154
   29    H    PHE   5           H        PHE   5   1.918  -3.428   7.259
   30    HA   PHE   5           HA       PHE   5   0.418  -3.791   4.692
   31   1HB   PHE   5          2HB       PHE   5   1.416  -5.931   5.398
   32   2HB   PHE   5          1HB       PHE   5   0.698  -5.751   6.998
   33    HD1  PHE   5           HD1      PHE   5  -0.306  -5.749   3.376
   34    HD2  PHE   5           HD2      PHE   5  -1.366  -6.752   7.417
   35    HE1  PHE   5           HE1      PHE   5  -2.396  -6.812   2.566
   36    HE2  PHE   5           HE2      PHE   5  -3.455  -7.814   6.606
   37    HZ   PHE   5           HZ       PHE   5  -3.969  -7.844   4.180
   38    H    GLY   6           H        GLY   6  -1.656  -2.994   4.838
   39   1HA   GLY   6          2HA       GLY   6  -3.688  -2.286   5.796
   40   2HA   GLY   6          1HA       GLY   6  -3.158  -2.969   7.332
   41    H    LYS   7           H        LYS   7  -1.148  -0.659   5.601
   42    HA   LYS   7           HA       LYS   7  -1.590   1.295   7.823
   43   1HB   LYS   7          2HB       LYS   7   0.681   0.170   7.109
   44   2HB   LYS   7          1HB       LYS   7   0.648   1.362   5.810
   45   1HG   LYS   7          2HG       LYS   7   1.824   2.474   7.515
   46   2HG   LYS   7          1HG       LYS   7   0.179   3.083   7.703
   47   1HD   LYS   7          2HD       LYS   7  -0.148   1.120   9.358
   48   2HD   LYS   7          1HD       LYS   7   1.613   1.012   9.364
   49   1HE   LYS   7          2HE       LYS   7   1.357   3.674   9.749
   50   2HE   LYS   7          1HE       LYS   7  -0.150   3.124  10.506
   51   1HZ   LYS   7          1HZ       LYS   7   1.654   3.040  12.101
   52   2HZ   LYS   7          2HZ       LYS   7   2.573   2.062  11.058
   53   3HZ   LYS   7          3HZ       LYS   7   1.133   1.468  11.740
   54    H    SER   8           H        SER   8  -2.705   3.142   7.316
   55    HA   SER   8           HA       SER   8  -3.844   3.718   4.787
   56   1HB   SER   8          2HB       SER   8  -3.242   5.272   7.293
   57   2HB   SER   8          1HB       SER   8  -3.945   6.095   5.903
   58    HG   SER   8           HG       SER   8  -5.765   5.052   6.204
   59    H    CYS   9           H        CYS   9  -2.805   4.292   2.928
   60    HA   CYS   9           HA       CYS   9  -0.522   6.216   3.083
   61   1HB   CYS   9          2HB       CYS   9   0.800   4.785   1.653
   62   2HB   CYS   9          1HB       CYS   9   0.203   3.785   2.974
   63    H    VAL  10           H        VAL  10   0.057   6.418   0.395
   64    HA   VAL  10           HA       VAL  10  -2.513   7.458  -0.734
   65    HB   VAL  10           HB       VAL  10   0.407   8.114  -1.258
   66   1HG1  VAL  10          1HG1      VAL  10  -0.801   8.502  -3.302
   67   2HG1  VAL  10          2HG1      VAL  10  -0.608  10.071  -2.522
   68   3HG1  VAL  10          3HG1      VAL  10  -2.154   9.228  -2.434
   69   1HG2  VAL  10          1HG2      VAL  10  -0.666  10.392  -0.337
   70   2HG2  VAL  10          2HG2      VAL  10  -0.018   9.167   0.754
   71   3HG2  VAL  10          3HG2      VAL  10  -1.755   9.256   0.460
   72    HA   PRO  11           HA       PRO  11  -1.938   3.992  -3.575
   73   1HB   PRO  11          2HB       PRO  11  -4.428   4.172  -4.694
   74   2HB   PRO  11          1HB       PRO  11  -4.122   3.373  -3.140
   75   1HG   PRO  11          2HG       PRO  11  -5.221   6.080  -3.690
   76   2HG   PRO  11          1HG       PRO  11  -5.661   4.915  -2.432
   77   1HD   PRO  11          2HD       PRO  11  -4.080   7.102  -1.993
   78   2HD   PRO  11          1HD       PRO  11  -4.006   5.616  -1.023
   79    H    GLY  12           H        GLY  12  -0.821   4.342  -5.448
   80   1HA   GLY  12          2HA       GLY  12  -1.126   5.137  -7.847
   81   2HA   GLY  12          1HA       GLY  12  -1.587   6.690  -7.144
   82    H    LYS  13           H        LYS  13   0.352   6.781  -5.054
   83    HA   LYS  13           HA       LYS  13   2.746   7.518  -6.633
   84   1HB   LYS  13          2HB       LYS  13   1.386   8.681  -4.589
   85   2HB   LYS  13          1HB       LYS  13   2.640   7.836  -3.680
   86   1HG   LYS  13          2HG       LYS  13   4.368   8.878  -5.119
   87   2HG   LYS  13          1HG       LYS  13   3.104   9.752  -5.984
   88   1HD   LYS  13          2HD       LYS  13   2.441  10.486  -3.496
   89   2HD   LYS  13          1HD       LYS  13   4.159  10.185  -3.226
   90   1HE   LYS  13          2HE       LYS  13   4.783  11.760  -4.958
   91   2HE   LYS  13          1HE       LYS  13   3.091  11.947  -5.459
   92   1HZ   LYS  13          1HZ       LYS  13   2.554  12.763  -3.251
   93   2HZ   LYS  13          2HZ       LYS  13   3.765  13.727  -3.951
   94   3HZ   LYS  13          3HZ       LYS  13   4.170  12.584  -2.761
   95    H    ASN  14           H        ASN  14   1.690   4.758  -4.955
   96    HA   ASN  14           HA       ASN  14   2.791   2.838  -4.168
   97   1HB   ASN  14          2HB       ASN  14   3.845   3.564  -6.546
   98   2HB   ASN  14          1HB       ASN  14   5.294   3.686  -5.549
   99   1HD2  ASN  14          1HD2      ASN  14   3.170   1.461  -7.143
  100   2HD2  ASN  14          2HD2      ASN  14   3.867   0.035  -6.541
  101    H    GLU  15           H        GLU  15   2.725   4.297  -2.079
  102    HA   GLU  15           HA       GLU  15   5.489   4.969  -1.150
  103   1HB   GLU  15          2HB       GLU  15   2.678   5.794  -0.473
  104   2HB   GLU  15          1HB       GLU  15   3.938   5.986   0.746
  105   1HG   GLU  15          2HG       GLU  15   4.512   6.947  -2.029
  106   2HG   GLU  15          1HG       GLU  15   3.433   7.915  -1.024
  107    H    CYS  16           H        CYS  16   5.342   2.325  -1.232
  108    HA   CYS  16           HA       CYS  16   4.899   1.488   1.604
  109   1HB   CYS  16          2HB       CYS  16   3.600   0.557  -0.901
  110   2HB   CYS  16          1HB       CYS  16   4.106  -0.713   0.211
  111    H    CYS  17           H        CYS  17   5.862  -0.897   1.795
  112    HA   CYS  17           HA       CYS  17   8.643  -0.763   0.811
  113   1HB   CYS  17          2HB       CYS  17   7.291  -1.697   3.081
  114   2HB   CYS  17          1HB       CYS  17   7.848  -3.160   2.272
  115    H    SER  18           H        SER  18   9.611  -2.915  -0.006
  116    HA   SER  18           HA       SER  18   8.397  -3.718  -2.456
  117   1HB   SER  18          2HB       SER  18  10.828  -3.880  -1.605
  118   2HB   SER  18          1HB       SER  18  10.327  -5.367  -0.807
  119    HG   SER  18           HG       SER  18  10.231  -6.334  -2.684
  120    H    GLY  19           H        GLY  19   6.835  -5.245  -2.892
  121   1HA   GLY  19          2HA       GLY  19   5.808  -7.437  -2.515
  122   2HA   GLY  19          1HA       GLY  19   6.200  -7.282  -0.803
  123    H    TYR  20           H        TYR  20   5.275  -4.598  -0.415
  124    HA   TYR  20           HA       TYR  20   2.322  -5.060  -0.596
  125   1HB   TYR  20          2HB       TYR  20   4.038  -3.285   1.175
  126   2HB   TYR  20          1HB       TYR  20   2.285  -3.424   1.290
  127    HD1  TYR  20           HD1      TYR  20   5.483  -4.967   2.080
  128    HD2  TYR  20           HD2      TYR  20   1.241  -5.620   1.915
  129    HE1  TYR  20           HE1      TYR  20   5.735  -6.970   3.520
  130    HE2  TYR  20           HE2      TYR  20   1.493  -7.622   3.354
  131    HH   TYR  20           HH       TYR  20   3.998  -9.284   3.766
  132    H    ALA  21           H        ALA  21   1.005  -3.505  -1.578
  133    HA   ALA  21           HA       ALA  21   2.353  -1.082  -2.733
  134   1HB   ALA  21          1HB       ALA  21   0.344  -2.974  -4.003
  135   2HB   ALA  21          2HB       ALA  21   2.054  -2.851  -4.418
  136   3HB   ALA  21          3HB       ALA  21   0.965  -1.506  -4.758
  137    H    CYS  22           H        CYS  22   0.949   0.768  -2.963
  138    HA   CYS  22           HA       CYS  22  -1.204   0.909  -0.978
  139   1HB   CYS  22          2HB       CYS  22   0.183   2.777  -2.893
  140   2HB   CYS  22          1HB       CYS  22  -1.289   3.294  -2.070
  141    H    ASN  23           H        ASN  23  -3.321   0.467  -1.429
  142    HA   ASN  23           HA       ASN  23  -4.201   0.480  -4.301
  143   1HB   ASN  23          2HB       ASN  23  -4.400  -1.397  -2.073
  144   2HB   ASN  23          1HB       ASN  23  -5.979  -1.054  -2.780
  145   1HD2  ASN  23          1HD2      ASN  23  -6.405  -1.837  -4.921
  146   2HD2  ASN  23          2HD2      ASN  23  -5.300  -2.790  -5.788
  147    H    SER  24           H        SER  24  -6.427   1.175  -4.685
  148    HA   SER  24           HA       SER  24  -7.246   3.403  -2.930
  149   1HB   SER  24          2HB       SER  24  -7.958   2.321  -5.644
  150   2HB   SER  24          1HB       SER  24  -9.029   3.484  -4.869
  151    HG   SER  24           HG       SER  24  -6.396   3.772  -5.782
  152    H    ARG  25           H        ARG  25  -8.110   0.066  -3.380
  153    HA   ARG  25           HA       ARG  25 -10.872   0.028  -2.734
  154   1HB   ARG  25          2HB       ARG  25  -8.931  -1.784  -3.296
  155   2HB   ARG  25          1HB       ARG  25  -9.079  -2.039  -1.558
  156   1HG   ARG  25          2HG       ARG  25 -10.938  -3.254  -1.908
  157   2HG   ARG  25          1HG       ARG  25 -11.720  -1.834  -2.603
  158   1HD   ARG  25          2HD       ARG  25 -11.823  -3.377  -4.382
  159   2HD   ARG  25          1HD       ARG  25 -10.335  -2.489  -4.761
  160    HE   ARG  25           HE       ARG  25 -10.349  -5.095  -3.277
  161   1HH1  ARG  25          2HH1      ARG  25  -9.737  -5.211  -6.189
  162   2HH1  ARG  25          1HH1      ARG  25  -8.009  -5.101  -6.213
  163   1HH2  ARG  25          1HH2      ARG  25  -7.769  -3.904  -2.962
  164   2HH2  ARG  25          2HH2      ARG  25  -6.893  -4.362  -4.385
  165    H    ASP  26           H        ASP  26  -8.045  -0.150  -0.538
  166    HA   ASP  26           HA       ASP  26  -9.845   0.642   1.733
  167   1HB   ASP  26          2HB       ASP  26  -7.688  -1.364   1.348
  168   2HB   ASP  26          1HB       ASP  26  -7.681  -0.519   2.895
  169    H    LYS  27           H        LYS  27  -7.493   1.868  -0.299
  170    HA   LYS  27           HA       LYS  27  -6.006   3.685  -0.164
  171   1HB   LYS  27          2HB       LYS  27  -8.358   4.305   1.066
  172   2HB   LYS  27          1HB       LYS  27  -7.226   4.585   2.389
  173   1HG   LYS  27          2HG       LYS  27  -5.859   5.839   0.468
  174   2HG   LYS  27          1HG       LYS  27  -7.468   6.000  -0.234
  175   1HD   LYS  27          2HD       LYS  27  -7.819   7.750   1.142
  176   2HD   LYS  27          1HD       LYS  27  -7.786   6.620   2.494
  177   1HE   LYS  27          2HE       LYS  27  -6.060   8.044   3.138
  178   2HE   LYS  27          1HE       LYS  27  -5.132   6.893   2.157
  179   1HZ   LYS  27          1HZ       LYS  27  -6.375   9.407   1.160
  180   2HZ   LYS  27          2HZ       LYS  27  -5.497   8.296   0.220
  181   3HZ   LYS  27          3HZ       LYS  27  -4.719   9.176   1.446
  182    H    TRP  28           H        TRP  28  -5.014   1.264   0.977
  183    HA   TRP  28           HA       TRP  28  -3.133   2.392   2.976
  184   1HB   TRP  28          2HB       TRP  28  -3.599   0.634   4.584
  185   2HB   TRP  28          1HB       TRP  28  -5.107   1.438   4.182
  186    HD1  TRP  28           HD1      TRP  28  -4.389  -0.683   1.309
  187    HE1  TRP  28           HE1      TRP  28  -5.630  -2.930   1.459
  188    HE3  TRP  28           HE3      TRP  28  -5.783  -0.597   6.223
  189    HZ2  TRP  28           HZ2      TRP  28  -7.035  -4.488   3.397
  190    HZ3  TRP  28           HZ3      TRP  28  -7.076  -2.478   7.190
  191    HH2  TRP  28           HH2      TRP  28  -7.703  -4.421   5.784
  192    H    CYS  29           H        CYS  29  -1.750   0.141   3.665
  193    HA   CYS  29           HA       CYS  29  -0.447  -0.594   1.107
  194   1HB   CYS  29          2HB       CYS  29   0.547   0.208   3.443
  195   2HB   CYS  29          1HB       CYS  29   0.441  -1.511   3.822
  196    H    LYS  30           H        LYS  30  -0.766  -2.583   0.167
  197    HA   LYS  30           HA       LYS  30  -1.674  -4.861   1.867
  198   1HB   LYS  30          2HB       LYS  30  -3.493  -5.322   0.283
  199   2HB   LYS  30          1HB       LYS  30  -3.648  -3.682   0.908
  200   1HG   LYS  30          2HG       LYS  30  -3.763  -3.030  -1.256
  201   2HG   LYS  30          1HG       LYS  30  -2.030  -3.346  -1.320
  202   1HD   LYS  30          2HD       LYS  30  -2.572  -4.804  -2.978
  203   2HD   LYS  30          1HD       LYS  30  -3.051  -5.869  -1.656
  204   1HE   LYS  30          2HE       LYS  30  -5.175  -3.970  -2.289
  205   2HE   LYS  30          1HE       LYS  30  -4.726  -4.943  -3.703
  206   1HZ   LYS  30          1HZ       LYS  30  -5.298  -6.009  -0.986
  207   2HZ   LYS  30          2HZ       LYS  30  -4.855  -6.935  -2.341
  208   3HZ   LYS  30          3HZ       LYS  30  -6.340  -6.111  -2.320
  209    H    VAL  31           H        VAL  31  -0.947  -6.883   1.100
  210    HA   VAL  31           HA       VAL  31   1.310  -6.862  -0.723
  211    HB   VAL  31           HB       VAL  31   0.966  -8.341   1.296
  212   1HG1  VAL  31          1HG1      VAL  31  -0.788 -10.023  -0.497
  213   2HG1  VAL  31          2HG1      VAL  31  -1.478  -8.834   0.608
  214   3HG1  VAL  31          3HG1      VAL  31  -0.527 -10.178   1.240
  215   1HG2  VAL  31          1HG2      VAL  31   1.946 -10.339   0.242
  216   2HG2  VAL  31          2HG2      VAL  31   2.639  -8.873  -0.449
  217   3HG2  VAL  31          3HG2      VAL  31   1.413  -9.775  -1.342
  218    H    LEU  32           H        LEU  32   1.367  -7.420  -2.883
  219    HA   LEU  32           HA       LEU  32  -1.181  -7.616  -4.333
  220   1HB   LEU  32          2HB       LEU  32   0.306  -7.493  -6.304
  221   2HB   LEU  32          1HB       LEU  32   0.723  -6.250  -5.128
  222    HG   LEU  32           HG       LEU  32   2.237  -8.503  -4.387
  223   1HD1  LEU  32          1HD1      LEU  32   2.587  -9.698  -6.264
  224   2HD1  LEU  32          2HD1      LEU  32   3.354  -8.277  -6.973
  225   3HD1  LEU  32          3HD1      LEU  32   1.631  -8.561  -7.214
  226   1HD2  LEU  32          1HD2      LEU  32   2.834  -6.062  -4.296
  227   2HD2  LEU  32          2HD2      LEU  32   3.112  -6.112  -6.037
  228   3HD2  LEU  32          3HD2      LEU  32   4.120  -7.073  -4.955
  229    H    LEU  33           H        LEU  33  -2.010  -9.470  -5.285
  230    HA   LEU  33           HA       LEU  33  -0.406 -11.996  -5.022
  231   1HB   LEU  33          1HB       LEU  33  -3.283 -11.353  -4.340
  232   2HB   LEU  33          2HB       LEU  33  -2.734 -13.013  -4.569
  233    HG   LEU  33           HG       LEU  33  -0.954 -11.475  -2.825
  234   1HD1  LEU  33          1HD1      LEU  33  -3.091 -10.374  -2.228
  235   2HD1  LEU  33          2HD1      LEU  33  -3.810 -11.956  -1.924
  236   3HD1  LEU  33          3HD1      LEU  33  -2.490 -11.378  -0.908
  237   1HD2  LEU  33          1HD2      LEU  33  -1.089 -14.000  -3.207
  238   2HD2  LEU  33          2HD2      LEU  33  -1.032 -13.483  -1.522
  239   3HD2  LEU  33          3HD2      LEU  33  -2.566 -13.972  -2.242
  240   1HN   NH2  34          1HN       NH2  34  -0.804 -11.543  -8.490
  241   2HN   NH2  34          2HN       NH2  34   0.099 -11.028  -7.048
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1  11.193   5.793   3.762
    2   2H    GLU   1          2H        GLU   1  11.022   7.474   3.938
    3   3H    GLU   1          3H        GLU   1  10.683   6.736   2.446
    4    HA   GLU   1           HA       GLU   1   9.128   6.474   4.971
    5   1HB   GLU   1          2HB       GLU   1   8.770   7.736   2.246
    6   2HB   GLU   1          1HB       GLU   1   7.390   7.397   3.290
    7   1HG   GLU   1          2HG       GLU   1   7.794   9.298   4.418
    8   2HG   GLU   1          1HG       GLU   1   9.367   8.663   4.899
    9    H    CYS   2           H        CYS   2   9.097   4.172   5.075
   10    HA   CYS   2           HA       CYS   2   7.885   2.785   2.701
   11   1HB   CYS   2          2HB       CYS   2  10.200   2.258   4.439
   12   2HB   CYS   2          1HB       CYS   2   9.143   0.860   4.243
   13    H    LYS   3           H        LYS   3   5.793   2.216   3.154
   14    HA   LYS   3           HA       LYS   3   4.992   1.752   5.996
   15   1HB   LYS   3          2HB       LYS   3   3.761   2.777   3.510
   16   2HB   LYS   3          1HB       LYS   3   2.709   1.734   4.466
   17   1HG   LYS   3          2HG       LYS   3   3.170   3.120   6.469
   18   2HG   LYS   3          1HG       LYS   3   4.182   4.181   5.489
   19   1HD   LYS   3          2HD       LYS   3   1.415   3.660   4.506
   20   2HD   LYS   3          1HD       LYS   3   1.582   4.697   5.922
   21   1HE   LYS   3          2HE       LYS   3   3.426   5.250   3.637
   22   2HE   LYS   3          1HE       LYS   3   1.722   5.698   3.431
   23   1HZ   LYS   3          1HZ       LYS   3   1.807   6.811   5.592
   24   2HZ   LYS   3          2HZ       LYS   3   2.927   7.487   4.508
   25   3HZ   LYS   3          3HZ       LYS   3   3.455   6.434   5.733
   26    H    GLY   4           H        GLY   4   4.803  -0.355   6.645
   27   1HA   GLY   4          2HA       GLY   4   4.933  -2.538   4.708
   28   2HA   GLY   4          1HA       GLY   4   4.799  -2.714   6.458
   29    H    PHE   5           H        PHE   5   3.186  -4.424   5.830
   30    HA   PHE   5           HA       PHE   5   0.685  -3.711   4.567
   31   1HB   PHE   5          2HB       PHE   5   1.796  -5.997   4.853
   32   2HB   PHE   5          1HB       PHE   5   1.216  -5.965   6.519
   33    HD1  PHE   5           HD1      PHE   5   0.243  -6.182   2.977
   34    HD2  PHE   5           HD2      PHE   5  -1.179  -6.059   7.030
   35    HE1  PHE   5           HE1      PHE   5  -1.991  -6.938   2.217
   36    HE2  PHE   5           HE2      PHE   5  -3.413  -6.815   6.269
   37    HZ   PHE   5           HZ       PHE   5  -3.820  -7.255   3.862
   38    H    GLY   6           H        GLY   6  -1.302  -3.162   5.532
   39   1HA   GLY   6          2HA       GLY   6  -2.813  -2.629   7.288
   40   2HA   GLY   6          1HA       GLY   6  -1.554  -3.024   8.457
   41    H    LYS   7           H        LYS   7  -0.892  -0.837   5.790
   42    HA   LYS   7           HA       LYS   7  -0.794   1.434   7.755
   43   1HB   LYS   7          2HB       LYS   7   0.945   0.687   5.384
   44   2HB   LYS   7          1HB       LYS   7   1.077   2.225   6.236
   45   1HG   LYS   7          2HG       LYS   7   1.265  -0.437   7.661
   46   2HG   LYS   7          1HG       LYS   7   2.679   0.391   7.008
   47   1HD   LYS   7          2HD       LYS   7   2.023   2.418   8.354
   48   2HD   LYS   7          1HD       LYS   7   0.763   1.441   9.109
   49   1HE   LYS   7          2HE       LYS   7   2.449   1.051  10.646
   50   2HE   LYS   7          1HE       LYS   7   2.886  -0.209   9.475
   51   1HZ   LYS   7          1HZ       LYS   7   3.905   2.585   9.485
   52   2HZ   LYS   7          2HZ       LYS   7   4.293   1.401   8.329
   53   3HZ   LYS   7          3HZ       LYS   7   4.787   1.211   9.943
   54    H    SER   8           H        SER   8  -2.390   2.883   7.290
   55    HA   SER   8           HA       SER   8  -4.020   2.974   4.995
   56   1HB   SER   8          2HB       SER   8  -3.633   4.386   7.417
   57   2HB   SER   8          1HB       SER   8  -3.622   5.601   6.142
   58    HG   SER   8           HG       SER   8  -5.731   4.855   7.089
   59    H    CYS   9           H        CYS   9  -3.752   3.800   2.956
   60    HA   CYS   9           HA       CYS   9  -1.689   5.860   2.400
   61   1HB   CYS   9          2HB       CYS   9  -0.720   4.374   0.606
   62   2HB   CYS   9          1HB       CYS   9  -0.458   3.764   2.238
   63    H    VAL  10           H        VAL  10  -1.767   5.947  -0.320
   64    HA   VAL  10           HA       VAL  10  -4.692   6.197  -0.956
   65    HB   VAL  10           HB       VAL  10  -2.281   7.797  -1.880
   66   1HG1  VAL  10          1HG1      VAL  10  -4.126   9.285  -2.853
   67   2HG1  VAL  10          2HG1      VAL  10  -5.212   7.915  -2.622
   68   3HG1  VAL  10          3HG1      VAL  10  -3.824   7.769  -3.700
   69   1HG2  VAL  10          1HG2      VAL  10  -2.668   8.840   0.105
   70   2HG2  VAL  10          2HG2      VAL  10  -4.238   8.064   0.306
   71   3HG2  VAL  10          3HG2      VAL  10  -4.091   9.511  -0.691
   72    HA   PRO  11           HA       PRO  11  -3.570   3.097  -3.999
   73   1HB   PRO  11          2HB       PRO  11  -6.098   2.792  -5.017
   74   2HB   PRO  11          1HB       PRO  11  -5.572   2.044  -3.496
   75   1HG   PRO  11          2HG       PRO  11  -7.176   4.516  -3.931
   76   2HG   PRO  11          1HG       PRO  11  -7.369   3.245  -2.713
   77   1HD   PRO  11          2HD       PRO  11  -6.214   5.644  -2.177
   78   2HD   PRO  11          1HD       PRO  11  -5.776   4.144  -1.328
   79    H    GLY  12           H        GLY  12  -2.635   3.691  -5.915
   80   1HA   GLY  12          2HA       GLY  12  -3.112   4.458  -8.266
   81   2HA   GLY  12          1HA       GLY  12  -3.970   5.821  -7.545
   82    H    LYS  13           H        LYS  13  -2.187   6.517  -5.491
   83    HA   LYS  13           HA       LYS  13  -0.033   7.794  -7.068
   84   1HB   LYS  13          2HB       LYS  13  -1.624   8.338  -4.736
   85   2HB   LYS  13          1HB       LYS  13   0.078   8.399  -4.277
   86   1HG   LYS  13          2HG       LYS  13  -1.024   9.833  -6.707
   87   2HG   LYS  13          1HG       LYS  13  -0.893  10.593  -5.122
   88   1HD   LYS  13          2HD       LYS  13   1.607   9.600  -5.330
   89   2HD   LYS  13          1HD       LYS  13   1.252   9.834  -7.041
   90   1HE   LYS  13          2HE       LYS  13   0.719  12.033  -5.029
   91   2HE   LYS  13          1HE       LYS  13   2.310  11.837  -5.789
   92   1HZ   LYS  13          1HZ       LYS  13   1.176  11.800  -7.965
   93   2HZ   LYS  13          2HZ       LYS  13   0.972  13.277  -7.151
   94   3HZ   LYS  13          3HZ       LYS  13  -0.294  12.145  -7.191
   95    H    ASN  14           H        ASN  14  -0.435   5.026  -5.043
   96    HA   ASN  14           HA       ASN  14   1.086   3.446  -4.202
   97   1HB   ASN  14          2HB       ASN  14   2.202   4.667  -6.593
   98   2HB   ASN  14          1HB       ASN  14   3.485   4.158  -5.495
   99   1HD2  ASN  14          1HD2      ASN  14   1.547   3.026  -7.986
  100   2HD2  ASN  14          2HD2      ASN  14   1.616   1.365  -7.641
  101    H    GLU  15           H        GLU  15   0.954   4.559  -2.100
  102    HA   GLU  15           HA       GLU  15   3.378   6.190  -1.421
  103   1HB   GLU  15          2HB       GLU  15   0.514   6.124  -0.636
  104   2HB   GLU  15          1HB       GLU  15   1.651   6.462   0.669
  105   1HG   GLU  15          2HG       GLU  15   2.386   8.440  -0.292
  106   2HG   GLU  15          1HG       GLU  15   1.993   7.913  -1.928
  107    H    CYS  16           H        CYS  16   3.450   3.263  -1.623
  108    HA   CYS  16           HA       CYS  16   3.808   2.512   1.263
  109   1HB   CYS  16          2HB       CYS  16   3.105   0.889  -1.204
  110   2HB   CYS  16          1HB       CYS  16   3.397   0.189   0.388
  111    H    CYS  17           H        CYS  17   5.460   0.518   1.307
  112    HA   CYS  17           HA       CYS  17   8.028   1.521   0.412
  113   1HB   CYS  17          2HB       CYS  17   7.347   0.075   2.460
  114   2HB   CYS  17          1HB       CYS  17   7.398  -1.287   1.342
  115    H    SER  18           H        SER  18   9.528   0.177  -0.979
  116    HA   SER  18           HA       SER  18   8.505  -0.339  -3.575
  117   1HB   SER  18          2HB       SER  18  10.934  -0.055  -2.479
  118   2HB   SER  18          1HB       SER  18  10.902  -1.815  -2.561
  119    HG   SER  18           HG       SER  18  10.700  -1.715  -4.730
  120    H    GLY  19           H        GLY  19   7.245  -2.017  -4.281
  121   1HA   GLY  19          2HA       GLY  19   6.946  -4.440  -4.589
  122   2HA   GLY  19          1HA       GLY  19   7.529  -4.673  -2.941
  123    H    TYR  20           H        TYR  20   5.901  -2.387  -1.916
  124    HA   TYR  20           HA       TYR  20   3.371  -3.880  -1.568
  125   1HB   TYR  20          2HB       TYR  20   4.763  -1.530  -0.296
  126   2HB   TYR  20          1HB       TYR  20   3.053  -1.812   0.026
  127    HD1  TYR  20           HD1      TYR  20   6.466  -3.145   0.416
  128    HD2  TYR  20           HD2      TYR  20   2.302  -3.771   1.268
  129    HE1  TYR  20           HE1      TYR  20   7.066  -4.901   2.059
  130    HE2  TYR  20           HE2      TYR  20   2.903  -5.527   2.913
  131    HH   TYR  20           HH       TYR  20   5.631  -5.872   4.319
  132    H    ALA  21           H        ALA  21   1.361  -3.116  -2.266
  133    HA   ALA  21           HA       ALA  21   1.347  -0.615  -3.928
  134   1HB   ALA  21          1HB       ALA  21   0.272  -3.396  -4.392
  135   2HB   ALA  21          2HB       ALA  21   1.285  -2.417  -5.454
  136   3HB   ALA  21          3HB       ALA  21  -0.419  -2.014  -5.243
  137    H    CYS  22           H        CYS  22  -0.222   0.825  -3.297
  138    HA   CYS  22           HA       CYS  22  -2.008   0.214  -1.075
  139   1HB   CYS  22          2HB       CYS  22  -0.816   2.408  -1.704
  140   2HB   CYS  22          1HB       CYS  22  -2.065   2.605  -2.933
  141    H    ASN  23           H        ASN  23  -3.988  -0.762  -1.305
  142    HA   ASN  23           HA       ASN  23  -5.329  -0.655  -3.988
  143   1HB   ASN  23          2HB       ASN  23  -4.514  -2.811  -2.623
  144   2HB   ASN  23          1HB       ASN  23  -6.081  -2.597  -1.840
  145   1HD2  ASN  23          1HD2      ASN  23  -7.692  -3.787  -2.872
  146   2HD2  ASN  23          2HD2      ASN  23  -7.761  -4.104  -4.537
  147    H    SER  24           H        SER  24  -7.802  -0.788  -3.792
  148    HA   SER  24           HA       SER  24  -8.721   1.271  -1.863
  149   1HB   SER  24          2HB       SER  24  -9.686   0.026  -4.421
  150   2HB   SER  24          1HB       SER  24 -10.838   0.875  -3.395
  151    HG   SER  24           HG       SER  24  -9.783   2.216  -4.976
  152    H    ARG  25           H        ARG  25  -8.634  -2.137  -2.016
  153    HA   ARG  25           HA       ARG  25 -11.201  -2.831  -0.911
  154   1HB   ARG  25          2HB       ARG  25  -9.621  -4.382  -2.036
  155   2HB   ARG  25          1HB       ARG  25  -8.486  -4.182  -0.702
  156   1HG   ARG  25          2HG       ARG  25  -9.524  -5.985   0.203
  157   2HG   ARG  25          1HG       ARG  25 -10.809  -4.851   0.619
  158   1HD   ARG  25          2HD       ARG  25 -11.867  -5.333  -1.623
  159   2HD   ARG  25          1HD       ARG  25 -10.661  -6.615  -1.847
  160    HE   ARG  25           HE       ARG  25 -12.053  -6.753   0.727
  161   1HH1  ARG  25          1HH2      ARG  25 -11.032  -9.198  -0.542
  162   2HH1  ARG  25          2HH2      ARG  25 -12.452  -9.912  -1.230
  163   1HH2  ARG  25          2HH1      ARG  25 -14.330  -6.997  -1.051
  164   2HH2  ARG  25          1HH1      ARG  25 -14.322  -8.664  -1.519
  165    H    ASP  26           H        ASP  26  -7.994  -2.644   0.697
  166    HA   ASP  26           HA       ASP  26  -9.401  -2.230   3.304
  167   1HB   ASP  26          2HB       ASP  26  -6.587  -3.109   2.586
  168   2HB   ASP  26          1HB       ASP  26  -7.214  -2.980   4.229
  169    H    LYS  27           H        LYS  27  -7.825  -0.466   0.892
  170    HA   LYS  27           HA       LYS  27  -7.072   1.756   0.808
  171   1HB   LYS  27          2HB       LYS  27  -9.052   1.581   2.717
  172   2HB   LYS  27          1HB       LYS  27  -7.733   2.331   3.616
  173   1HG   LYS  27          2HG       LYS  27  -7.607   3.731   1.280
  174   2HG   LYS  27          1HG       LYS  27  -9.338   3.403   1.374
  175   1HD   LYS  27          2HD       LYS  27  -9.577   4.987   2.950
  176   2HD   LYS  27          1HD       LYS  27  -8.410   4.157   3.981
  177   1HE   LYS  27          2HE       LYS  27  -6.596   5.259   2.489
  178   2HE   LYS  27          1HE       LYS  27  -7.900   6.337   1.953
  179   1HZ   LYS  27          1HZ       LYS  27  -8.404   6.828   4.265
  180   2HZ   LYS  27          2HZ       LYS  27  -6.787   7.220   3.921
  181   3HZ   LYS  27          3HZ       LYS  27  -7.155   5.803   4.783
  182    H    TRP  28           H        TRP  28  -5.386  -0.550   2.211
  183    HA   TRP  28           HA       TRP  28  -3.384   1.364   3.352
  184   1HB   TRP  28          2HB       TRP  28  -2.805  -0.371   5.006
  185   2HB   TRP  28          1HB       TRP  28  -4.496   0.081   5.128
  186    HD1  TRP  28           HD1      TRP  28  -3.207  -2.390   2.462
  187    HE1  TRP  28           HE1      TRP  28  -4.248  -4.695   2.930
  188    HE3  TRP  28           HE3      TRP  28  -5.521  -1.422   6.907
  189    HZ2  TRP  28           HZ2      TRP  28  -5.849  -5.968   4.925
  190    HZ3  TRP  28           HZ3      TRP  28  -6.794  -3.202   8.072
  191    HH2  TRP  28           HH2      TRP  28  -6.961  -5.472   7.087
  192    H    CYS  29           H        CYS  29  -1.172  -0.121   3.576
  193    HA   CYS  29           HA       CYS  29  -0.385  -0.592   0.815
  194   1HB   CYS  29          2HB       CYS  29   0.941  -0.959   3.513
  195   2HB   CYS  29          1HB       CYS  29   1.781  -1.235   1.987
  196    H    LYS  30           H        LYS  30  -0.370  -2.517  -0.268
  197    HA   LYS  30           HA       LYS  30  -0.771  -5.040   1.310
  198   1HB   LYS  30          2HB       LYS  30  -2.127  -3.851  -1.071
  199   2HB   LYS  30          1HB       LYS  30  -1.894  -5.600  -1.080
  200   1HG   LYS  30          2HG       LYS  30  -2.929  -5.668   1.222
  201   2HG   LYS  30          1HG       LYS  30  -3.319  -3.960   1.031
  202   1HD   LYS  30          2HD       LYS  30  -5.280  -5.122   0.353
  203   2HD   LYS  30          1HD       LYS  30  -4.496  -4.628  -1.148
  204   1HE   LYS  30          2HE       LYS  30  -4.345  -6.792  -1.800
  205   2HE   LYS  30          1HE       LYS  30  -3.444  -7.193  -0.324
  206   1HZ   LYS  30          1HZ       LYS  30  -5.534  -8.391  -0.365
  207   2HZ   LYS  30          2HZ       LYS  30  -6.400  -6.942  -0.559
  208   3HZ   LYS  30          3HZ       LYS  30  -5.557  -7.246   0.886
  209    H    VAL  31           H        VAL  31   0.537  -6.774   0.696
  210    HA   VAL  31           HA       VAL  31   2.966  -6.252  -0.744
  211    HB   VAL  31           HB       VAL  31   2.502  -7.959   1.079
  212   1HG1  VAL  31          1HG1      VAL  31   1.516  -9.747  -1.138
  213   2HG1  VAL  31          2HG1      VAL  31   0.386  -8.772  -0.198
  214   3HG1  VAL  31          3HG1      VAL  31   1.389  -9.978   0.606
  215   1HG2  VAL  31          1HG2      VAL  31   3.628  -9.477  -1.231
  216   2HG2  VAL  31          2HG2      VAL  31   4.285  -9.246   0.389
  217   3HG2  VAL  31          3HG2      VAL  31   4.412  -7.955  -0.806
  218    H    LEU  32           H        LEU  32   3.536  -6.721  -2.883
  219    HA   LEU  32           HA       LEU  32   1.345  -7.705  -4.692
  220   1HB   LEU  32          2HB       LEU  32   2.050  -5.235  -4.752
  221   2HB   LEU  32          1HB       LEU  32   3.594  -5.799  -5.390
  222    HG   LEU  32           HG       LEU  32   1.604  -7.130  -6.893
  223   1HD1  LEU  32          1HD1      LEU  32   1.052  -4.163  -6.591
  224   2HD1  LEU  32          2HD1      LEU  32  -0.029  -5.475  -6.118
  225   3HD1  LEU  32          3HD1      LEU  32   0.338  -5.205  -7.822
  226   1HD2  LEU  32          1HD2      LEU  32   2.631  -5.998  -8.739
  227   2HD2  LEU  32          2HD2      LEU  32   3.908  -6.242  -7.547
  228   3HD2  LEU  32          3HD2      LEU  32   3.150  -4.658  -7.715
  229    H    LEU  33           H        LEU  33   3.612  -9.204  -3.307
  230    HA   LEU  33           HA       LEU  33   4.694 -10.497  -5.755
  231   1HB   LEU  33          1HB       LEU  33   6.995 -10.355  -4.773
  232   2HB   LEU  33          2HB       LEU  33   6.317  -8.774  -5.153
  233    HG   LEU  33           HG       LEU  33   5.550  -9.524  -2.476
  234   1HD1  LEU  33          1HD1      LEU  33   8.491  -9.719  -3.162
  235   2HD1  LEU  33          2HD1      LEU  33   7.911  -9.393  -1.528
  236   3HD1  LEU  33          3HD1      LEU  33   7.497 -10.911  -2.324
  237   1HD2  LEU  33          1HD2      LEU  33   5.720  -7.222  -3.494
  238   2HD2  LEU  33          2HD2      LEU  33   6.531  -7.376  -1.936
  239   3HD2  LEU  33          3HD2      LEU  33   7.476  -7.383  -3.425
  240   1HN   NH2  34          1HN       NH2  34   3.130 -12.521  -3.031
  241   2HN   NH2  34          2HN       NH2  34   2.753 -11.024  -3.913
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1  -0.231   4.725  -9.922
    2   2H    GLU   1          2H        GLU   1  -1.312   5.338  -8.763
    3   3H    GLU   1          3H        GLU   1  -0.909   6.267 -10.126
    4    HA   GLU   1           HA       GLU   1  -3.129   5.271 -10.350
    5   1HB   GLU   1          2HB       GLU   1  -1.409   5.758 -12.206
    6   2HB   GLU   1          1HB       GLU   1  -1.110   4.021 -12.229
    7   1HG   GLU   1          2HG       GLU   1  -2.819   3.974 -13.733
    8   2HG   GLU   1          1HG       GLU   1  -3.846   4.086 -12.305
    9    H    CYS   2           H        CYS   2  -3.376   3.798  -8.432
   10    HA   CYS   2           HA       CYS   2  -3.801   1.681  -7.493
   11   1HB   CYS   2          2HB       CYS   2  -4.204   1.546 -10.408
   12   2HB   CYS   2          1HB       CYS   2  -3.932  -0.027  -9.660
   13    H    LYS   3           H        LYS   3  -1.630   1.600  -6.524
   14    HA   LYS   3           HA       LYS   3   0.572   0.313  -7.967
   15   1HB   LYS   3          2HB       LYS   3   0.015   1.491  -5.284
   16   2HB   LYS   3          1HB       LYS   3   1.327   0.316  -5.374
   17   1HG   LYS   3          2HG       LYS   3   2.667   1.718  -6.556
   18   2HG   LYS   3          1HG       LYS   3   1.336   2.285  -7.565
   19   1HD   LYS   3          2HD       LYS   3   0.544   3.704  -5.685
   20   2HD   LYS   3          1HD       LYS   3   1.930   3.178  -4.728
   21   1HE   LYS   3          2HE       LYS   3   3.472   4.141  -6.395
   22   2HE   LYS   3          1HE       LYS   3   2.090   4.650  -7.385
   23   1HZ   LYS   3          1HZ       LYS   3   1.261   5.948  -5.538
   24   2HZ   LYS   3          2HZ       LYS   3   2.848   6.432  -5.901
   25   3HZ   LYS   3          3HZ       LYS   3   2.548   5.442  -4.554
   26    H    GLY   4           H        GLY   4   1.344  -1.815  -7.624
   27   1HA   GLY   4          2HA       GLY   4  -0.674  -3.720  -6.587
   28   2HA   GLY   4          1HA       GLY   4   0.748  -4.140  -7.541
   29    H    PHE   5           H        PHE   5   0.239  -5.630  -5.301
   30    HA   PHE   5           HA       PHE   5   1.365  -4.750  -2.836
   31   1HB   PHE   5          2HB       PHE   5  -0.023  -6.778  -3.215
   32   2HB   PHE   5          1HB       PHE   5   1.314  -7.513  -4.099
   33    HD1  PHE   5           HD1      PHE   5  -0.029  -6.676  -0.813
   34    HD2  PHE   5           HD2      PHE   5   3.450  -8.063  -2.918
   35    HE1  PHE   5           HE1      PHE   5   0.948  -7.473   1.321
   36    HE2  PHE   5           HE2      PHE   5   4.425  -8.857  -0.782
   37    HZ   PHE   5           HZ       PHE   5   3.174  -8.561   1.338
   38    H    GLY   6           H        GLY   6   3.485  -4.785  -2.039
   39   1HA   GLY   6          2HA       GLY   6   5.826  -5.156  -2.038
   40   2HA   GLY   6          1HA       GLY   6   5.663  -6.011  -3.571
   41    H    LYS   7           H        LYS   7   4.286  -2.806  -3.210
   42    HA   LYS   7           HA       LYS   7   6.505  -1.705  -4.902
   43   1HB   LYS   7          2HB       LYS   7   4.257  -2.220  -6.000
   44   2HB   LYS   7          1HB       LYS   7   3.567  -0.958  -4.978
   45   1HG   LYS   7          2HG       LYS   7   4.104   0.114  -7.036
   46   2HG   LYS   7          1HG       LYS   7   5.374   0.589  -5.909
   47   1HD   LYS   7          2HD       LYS   7   6.944  -0.326  -7.237
   48   2HD   LYS   7          1HD       LYS   7   6.123  -1.884  -7.177
   49   1HE   LYS   7          2HE       LYS   7   5.920  -1.487  -9.448
   50   2HE   LYS   7          1HE       LYS   7   4.487  -0.591  -8.913
   51   1HZ   LYS   7          1HZ       LYS   7   7.219   0.541  -9.240
   52   2HZ   LYS   7          2HZ       LYS   7   5.855   1.398  -8.697
   53   3HZ   LYS   7          3HZ       LYS   7   5.913   0.805 -10.288
   54    H    SER   8           H        SER   8   7.342   0.254  -4.194
   55    HA   SER   8           HA       SER   8   7.094   1.206  -1.581
   56   1HB   SER   8          2HB       SER   8   7.814   2.481  -4.216
   57   2HB   SER   8          1HB       SER   8   7.857   3.425  -2.731
   58    HG   SER   8           HG       SER   8   9.463   1.317  -3.577
   59    H    CYS   9           H        CYS   9   5.443   2.180  -0.490
   60    HA   CYS   9           HA       CYS   9   3.478   3.856  -2.005
   61   1HB   CYS   9          2HB       CYS   9   2.447   1.708  -1.836
   62   2HB   CYS   9          1HB       CYS   9   3.007   1.488  -0.180
   63    H    VAL  10           H        VAL  10   2.713   5.627  -0.814
   64    HA   VAL  10           HA       VAL  10   4.144   6.261   1.694
   65    HB   VAL  10           HB       VAL  10   2.222   7.754  -0.124
   66   1HG1  VAL  10          1HG1      VAL  10   3.196   9.749   1.274
   67   2HG1  VAL  10          2HG1      VAL  10   3.501   8.512   2.493
   68   3HG1  VAL  10          3HG1      VAL  10   1.855   8.811   1.934
   69   1HG2  VAL  10          1HG2      VAL  10   5.207   8.004   0.388
   70   2HG2  VAL  10          2HG2      VAL  10   4.268   9.052  -0.676
   71   3HG2  VAL  10          3HG2      VAL  10   4.458   7.343  -1.066
   72    HA   PRO  11           HA       PRO  11   0.578   4.671   3.917
   73   1HB   PRO  11          2HB       PRO  11   1.631   5.024   6.421
   74   2HB   PRO  11          1HB       PRO  11   2.060   3.658   5.372
   75   1HG   PRO  11          2HG       PRO  11   3.559   6.169   5.916
   76   2HG   PRO  11          1HG       PRO  11   4.160   4.518   5.695
   77   1HD   PRO  11          2HD       PRO  11   4.265   6.441   3.758
   78   2HD   PRO  11          1HD       PRO  11   4.197   4.698   3.417
   79    H    GLY  12           H        GLY  12  -1.213   5.836   4.522
   80   1HA   GLY  12          2HA       GLY  12  -2.091   7.622   6.082
   81   2HA   GLY  12          1HA       GLY  12  -0.807   8.655   5.452
   82    H    LYS  13           H        LYS  13  -0.907   8.262   2.758
   83    HA   LYS  13           HA       LYS  13  -3.522   9.475   2.040
   84   1HB   LYS  13          2HB       LYS  13  -0.740   9.351   0.966
   85   2HB   LYS  13          1HB       LYS  13  -2.039   9.582  -0.205
   86   1HG   LYS  13          2HG       LYS  13  -2.887  11.483   1.196
   87   2HG   LYS  13          1HG       LYS  13  -1.464  11.303   2.224
   88   1HD   LYS  13          2HD       LYS  13  -1.061  11.556  -0.733
   89   2HD   LYS  13          1HD       LYS  13  -1.456  13.008   0.188
   90   1HE   LYS  13          2HE       LYS  13   0.443  12.351   1.783
   91   2HE   LYS  13          1HE       LYS  13   0.931  11.175   0.547
   92   1HZ   LYS  13          1HZ       LYS  13   0.503  14.081   0.074
   93   2HZ   LYS  13          2HZ       LYS  13   1.000  12.942  -1.086
   94   3HZ   LYS  13          3HZ       LYS  13   2.018  13.331   0.217
   95    H    ASN  14           H        ASN  14  -2.414   6.354   2.231
   96    HA   ASN  14           HA       ASN  14  -2.978   4.329   1.177
   97   1HB   ASN  14          2HB       ASN  14  -5.318   6.183   0.763
   98   2HB   ASN  14          1HB       ASN  14  -5.367   4.539   0.128
   99   1HD2  ASN  14          1HD2      ASN  14  -5.928   2.895   1.594
  100   2HD2  ASN  14          2HD2      ASN  14  -6.009   3.101   3.277
  101    H    GLU  15           H        GLU  15  -1.143   4.717  -0.365
  102    HA   GLU  15           HA       GLU  15  -1.943   5.611  -3.090
  103   1HB   GLU  15          2HB       GLU  15   0.650   5.024  -1.648
  104   2HB   GLU  15          1HB       GLU  15   0.609   5.276  -3.392
  105   1HG   GLU  15          2HG       GLU  15  -0.892   7.395  -2.480
  106   2HG   GLU  15          1HG       GLU  15   0.319   7.231  -1.207
  107    H    CYS  16           H        CYS  16  -3.314   3.380  -2.772
  108    HA   CYS  16           HA       CYS  16  -1.818   1.324  -4.328
  109   1HB   CYS  16          2HB       CYS  16  -2.994   1.099  -1.575
  110   2HB   CYS  16          1HB       CYS  16  -3.035  -0.315  -2.628
  111    H    CYS  17           H        CYS  17  -3.432  -0.427  -5.082
  112    HA   CYS  17           HA       CYS  17  -5.792   0.884  -6.228
  113   1HB   CYS  17          2HB       CYS  17  -4.102  -0.956  -7.135
  114   2HB   CYS  17          1HB       CYS  17  -5.244  -2.061  -6.370
  115    H    SER  18           H        SER  18  -7.960  -0.318  -6.103
  116    HA   SER  18           HA       SER  18  -8.964  -0.417  -3.454
  117   1HB   SER  18          2HB       SER  18 -10.936  -1.447  -4.569
  118   2HB   SER  18          1HB       SER  18 -10.304  -0.087  -5.491
  119    HG   SER  18           HG       SER  18  -9.936  -1.420  -7.065
  120    H    GLY  19           H        GLY  19  -8.985  -2.021  -1.908
  121   1HA   GLY  19          2HA       GLY  19  -9.160  -4.366  -1.236
  122   2HA   GLY  19          1HA       GLY  19  -8.346  -4.816  -2.735
  123    H    TYR  20           H        TYR  20  -6.219  -2.932  -2.639
  124    HA   TYR  20           HA       TYR  20  -4.593  -4.113  -0.430
  125   1HB   TYR  20          2HB       TYR  20  -3.972  -2.810  -3.095
  126   2HB   TYR  20          1HB       TYR  20  -2.719  -3.248  -1.936
  127    HD1  TYR  20           HD1      TYR  20  -2.210  -5.589  -1.444
  128    HD2  TYR  20           HD2      TYR  20  -5.282  -4.525  -4.252
  129    HE1  TYR  20           HE1      TYR  20  -2.257  -7.924  -2.279
  130    HE2  TYR  20           HE2      TYR  20  -5.329  -6.858  -5.086
  131    HH   TYR  20           HH       TYR  20  -3.204  -8.904  -4.938
  132    H    ALA  21           H        ALA  21  -3.846  -2.793   1.201
  133    HA   ALA  21           HA       ALA  21  -4.209   0.176   0.897
  134   1HB   ALA  21          1HB       ALA  21  -5.385  -1.571   2.662
  135   2HB   ALA  21          2HB       ALA  21  -5.162   0.150   2.973
  136   3HB   ALA  21          3HB       ALA  21  -3.993  -1.017   3.592
  137    H    CYS  22           H        CYS  22  -2.545   1.500   1.961
  138    HA   CYS  22           HA       CYS  22   0.144   0.561   1.545
  139   1HB   CYS  22          2HB       CYS  22  -1.067   2.960   1.725
  140   2HB   CYS  22          1HB       CYS  22  -0.419   2.858   3.363
  141    H    ASN  23           H        ASN  23   1.741  -0.024   3.085
  142    HA   ASN  23           HA       ASN  23   0.685  -0.844   5.773
  143   1HB   ASN  23          2HB       ASN  23   1.695  -2.372   3.781
  144   2HB   ASN  23          1HB       ASN  23   3.187  -1.985   4.637
  145   1HD2  ASN  23          1HD2      ASN  23   3.624  -3.209   6.500
  146   2HD2  ASN  23          2HD2      ASN  23   2.494  -4.203   7.283
  147    H    SER  24           H        SER  24   2.346  -0.805   7.534
  148    HA   SER  24           HA       SER  24   4.139   1.581   7.274
  149   1HB   SER  24          2HB       SER  24   2.678   0.224   9.544
  150   2HB   SER  24          1HB       SER  24   3.958   1.397   9.847
  151    HG   SER  24           HG       SER  24   1.400   1.744   8.841
  152    H    ARG  25           H        ARG  25   4.029  -1.808   8.373
  153    HA   ARG  25           HA       ARG  25   6.629  -2.027   9.498
  154   1HB   ARG  25          2HB       ARG  25   4.622  -3.651   9.437
  155   2HB   ARG  25          1HB       ARG  25   5.237  -4.160   7.865
  156   1HG   ARG  25          2HG       ARG  25   7.303  -4.030   9.956
  157   2HG   ARG  25          1HG       ARG  25   6.038  -5.215  10.281
  158   1HD   ARG  25          2HD       ARG  25   6.554  -6.485   8.396
  159   2HD   ARG  25          1HD       ARG  25   7.240  -5.098   7.527
  160    HE   ARG  25           HE       ARG  25   8.646  -6.736   9.526
  161   1HH1  ARG  25          2HH1      ARG  25   9.543  -5.392   6.838
  162   2HH1  ARG  25          1HH1      ARG  25  10.711  -4.268   7.449
  163   1HH2  ARG  25          1HH2      ARG  25   9.679  -4.587  10.754
  164   2HH2  ARG  25          2HH2      ARG  25  10.788  -3.812   9.673
  165    H    ASP  26           H        ASP  26   5.570  -2.580   6.114
  166    HA   ASP  26           HA       ASP  26   8.445  -2.635   5.274
  167   1HB   ASP  26          2HB       ASP  26   5.861  -3.565   3.989
  168   2HB   ASP  26          1HB       ASP  26   7.435  -3.659   3.203
  169    H    LYS  27           H        LYS  27   5.756  -0.546   5.365
  170    HA   LYS  27           HA       LYS  27   5.302   1.523   4.353
  171   1HB   LYS  27          2HB       LYS  27   7.933   1.401   4.969
  172   2HB   LYS  27          1HB       LYS  27   8.054   1.642   3.227
  173   1HG   LYS  27          2HG       LYS  27   6.031   3.396   4.291
  174   2HG   LYS  27          1HG       LYS  27   7.523   3.603   5.208
  175   1HD   LYS  27          2HD       LYS  27   7.868   3.408   2.273
  176   2HD   LYS  27          1HD       LYS  27   7.023   4.850   2.836
  177   1HE   LYS  27          2HE       LYS  27   9.438   4.137   4.405
  178   2HE   LYS  27          1HE       LYS  27   9.742   4.667   2.739
  179   1HZ   LYS  27          1HZ       LYS  27   8.364   6.594   3.103
  180   2HZ   LYS  27          2HZ       LYS  27   9.573   6.547   4.295
  181   3HZ   LYS  27          3HZ       LYS  27   7.984   6.083   4.675
  182    H    TRP  28           H        TRP  28   4.659  -0.808   2.781
  183    HA   TRP  28           HA       TRP  28   4.856   0.408   0.072
  184   1HB   TRP  28          2HB       TRP  28   5.536  -1.736  -0.894
  185   2HB   TRP  28          1HB       TRP  28   6.691  -1.229   0.326
  186    HD1  TRP  28           HD1      TRP  28   3.627  -2.595   1.946
  187    HE1  TRP  28           HE1      TRP  28   4.048  -5.004   2.747
  188    HE3  TRP  28           HE3      TRP  28   8.032  -3.571  -0.447
  189    HZ2  TRP  28           HZ2      TRP  28   5.989  -7.075   2.424
  190    HZ3  TRP  28           HZ3      TRP  28   9.145  -5.767  -0.180
  191    HH2  TRP  28           HH2      TRP  28   8.131  -7.520   1.251
  192    H    CYS  29           H        CYS  29   3.504  -1.469  -1.391
  193    HA   CYS  29           HA       CYS  29   0.766  -1.100  -0.460
  194   1HB   CYS  29          2HB       CYS  29   1.915  -1.181  -2.858
  195   2HB   CYS  29          1HB       CYS  29   1.529  -2.897  -2.730
  196    H    LYS  30           H        LYS  30  -0.363  -2.496   0.796
  197    HA   LYS  30           HA       LYS  30   0.416  -5.391   0.848
  198   1HB   LYS  30          2HB       LYS  30   1.203  -3.811   2.771
  199   2HB   LYS  30          1HB       LYS  30  -0.488  -3.830   3.269
  200   1HG   LYS  30          2HG       LYS  30  -0.148  -5.805   4.286
  201   2HG   LYS  30          1HG       LYS  30   0.252  -6.522   2.727
  202   1HD   LYS  30          2HD       LYS  30   2.498  -6.433   3.107
  203   2HD   LYS  30          1HD       LYS  30   2.395  -4.891   3.958
  204   1HE   LYS  30          2HE       LYS  30   1.520  -6.028   5.961
  205   2HE   LYS  30          1HE       LYS  30   1.580  -7.584   5.111
  206   1HZ   LYS  30          1HZ       LYS  30   3.600  -7.250   6.388
  207   2HZ   LYS  30          2HZ       LYS  30   3.888  -5.772   5.600
  208   3HZ   LYS  30          3HZ       LYS  30   3.953  -7.231   4.730
  209    H    VAL  31           H        VAL  31  -1.495  -6.608   2.113
  210    HA   VAL  31           HA       VAL  31  -3.996  -5.895   0.716
  211    HB   VAL  31           HB       VAL  31  -3.363  -8.171   2.627
  212   1HG1  VAL  31          1HG1      VAL  31  -5.218  -9.295   1.469
  213   2HG1  VAL  31          2HG1      VAL  31  -5.442  -7.883   0.436
  214   3HG1  VAL  31          3HG1      VAL  31  -5.767  -7.770   2.165
  215   1HG2  VAL  31          1HG2      VAL  31  -3.246  -9.315   0.190
  216   2HG2  VAL  31          2HG2      VAL  31  -1.820  -8.641   0.978
  217   3HG2  VAL  31          3HG2      VAL  31  -2.681  -7.701  -0.240
  218    H    LEU  32           H        LEU  32  -5.808  -5.042   1.727
  219    HA   LEU  32           HA       LEU  32  -5.568  -3.741   4.282
  220   1HB   LEU  32          2HB       LEU  32  -7.035  -3.172   2.271
  221   2HB   LEU  32          1HB       LEU  32  -8.103  -4.474   2.796
  222    HG   LEU  32           HG       LEU  32  -7.591  -2.957   5.113
  223   1HD1  LEU  32          1HD1      LEU  32  -6.947  -0.948   4.225
  224   2HD1  LEU  32          2HD1      LEU  32  -8.682  -0.757   3.970
  225   3HD1  LEU  32          3HD1      LEU  32  -7.650  -1.301   2.647
  226   1HD2  LEU  32          1HD2      LEU  32  -9.995  -2.827   3.265
  227   2HD2  LEU  32          2HD2      LEU  32  -9.979  -2.492   4.996
  228   3HD2  LEU  32          3HD2      LEU  32  -9.695  -4.131   4.413
  229    H    LEU  33           H        LEU  33  -7.299  -6.698   3.270
  230    HA   LEU  33           HA       LEU  33  -7.745  -7.362   6.160
  231   1HB   LEU  33          1HB       LEU  33  -9.133  -8.062   3.566
  232   2HB   LEU  33          2HB       LEU  33  -9.460  -8.948   5.055
  233    HG   LEU  33           HG       LEU  33  -9.602  -5.936   4.977
  234   1HD1  LEU  33          1HD1      LEU  33 -11.098  -7.098   3.216
  235   2HD1  LEU  33          2HD1      LEU  33 -11.996  -7.735   4.594
  236   3HD1  LEU  33          3HD1      LEU  33 -11.882  -5.993   4.346
  237   1HD2  LEU  33          1HD2      LEU  33 -10.865  -8.087   6.707
  238   2HD2  LEU  33          2HD2      LEU  33  -9.556  -7.003   7.178
  239   3HD2  LEU  33          3HD2      LEU  33 -11.169  -6.358   6.874
  240   1HN   NH2  34          1HN       NH2  34  -7.056 -10.894   4.496
  241   2HN   NH2  34          2HN       NH2  34  -8.513  -9.881   4.388
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1   8.307   7.555   3.626
    2   2H    GLU   1          2H        GLU   1   8.666   6.056   4.342
    3   3H    GLU   1          3H        GLU   1   7.367   6.193   3.255
    4    HA   GLU   1           HA       GLU   1   8.900   6.682   1.436
    5   1HB   GLU   1          2HB       GLU   1  10.650   6.871   3.821
    6   2HB   GLU   1          1HB       GLU   1  11.386   6.092   2.421
    7   1HG   GLU   1          2HG       GLU   1   9.861   8.628   1.977
    8   2HG   GLU   1          1HG       GLU   1  11.460   8.738   2.713
    9    H    CYS   2           H        CYS   2   8.423   4.804   0.367
   10    HA   CYS   2           HA       CYS   2   8.341   2.518  -0.192
   11   1HB   CYS   2          2HB       CYS   2  10.769   2.956  -0.223
   12   2HB   CYS   2          1HB       CYS   2  10.863   2.599   1.500
   13    H    LYS   3           H        LYS   3   6.383   2.268   1.178
   14    HA   LYS   3           HA       LYS   3   6.650   1.307   3.932
   15   1HB   LYS   3          2HB       LYS   3   4.374   1.472   1.932
   16   2HB   LYS   3          1HB       LYS   3   4.160   0.941   3.599
   17   1HG   LYS   3          2HG       LYS   3   5.672   3.384   3.597
   18   2HG   LYS   3          1HG       LYS   3   4.223   3.611   2.618
   19   1HD   LYS   3          2HD       LYS   3   2.906   2.568   4.527
   20   2HD   LYS   3          1HD       LYS   3   4.375   2.690   5.497
   21   1HE   LYS   3          2HE       LYS   3   3.495   5.153   4.043
   22   2HE   LYS   3          1HE       LYS   3   2.572   4.670   5.479
   23   1HZ   LYS   3          1HZ       LYS   3   5.530   4.958   5.341
   24   2HZ   LYS   3          2HZ       LYS   3   4.645   4.477   6.710
   25   3HZ   LYS   3          3HZ       LYS   3   4.471   6.049   6.091
   26    H    GLY   4           H        GLY   4   6.298  -0.855   4.641
   27   1HA   GLY   4          2HA       GLY   4   7.045  -2.933   2.710
   28   2HA   GLY   4          1HA       GLY   4   6.798  -3.165   4.440
   29    H    PHE   5           H        PHE   5   5.455  -5.017   4.116
   30    HA   PHE   5           HA       PHE   5   2.924  -4.649   2.590
   31   1HB   PHE   5          2HB       PHE   5   4.354  -6.665   2.294
   32   2HB   PHE   5          1HB       PHE   5   4.144  -7.049   4.002
   33    HD1  PHE   5           HD1      PHE   5   1.973  -7.798   4.876
   34    HD2  PHE   5           HD2      PHE   5   2.524  -6.941   0.701
   35    HE1  PHE   5           HE1      PHE   5  -0.158  -8.954   4.356
   36    HE2  PHE   5           HE2      PHE   5   0.394  -8.100   0.185
   37    HZ   PHE   5           HZ       PHE   5  -0.947  -9.104   2.010
   38    H    GLY   6           H        GLY   6   0.945  -4.442   3.623
   39   1HA   GLY   6          2HA       GLY   6  -0.634  -4.407   5.368
   40   2HA   GLY   6          1HA       GLY   6   0.519  -5.284   6.373
   41    H    LYS   7           H        LYS   7   1.425  -2.281   4.794
   42    HA   LYS   7           HA       LYS   7   1.735  -1.018   7.479
   43   1HB   LYS   7          2HB       LYS   7   3.540  -1.350   5.573
   44   2HB   LYS   7          1HB       LYS   7   2.776   0.080   4.880
   45   1HG   LYS   7          2HG       LYS   7   4.518   0.937   6.242
   46   2HG   LYS   7          1HG       LYS   7   3.055   1.147   7.204
   47   1HD   LYS   7          2HD       LYS   7   4.083  -0.008   8.846
   48   2HD   LYS   7          1HD       LYS   7   3.936  -1.439   7.825
   49   1HE   LYS   7          2HE       LYS   7   6.186   0.260   7.016
   50   2HE   LYS   7          1HE       LYS   7   6.338  -0.324   8.685
   51   1HZ   LYS   7          1HZ       LYS   7   5.992  -2.546   7.990
   52   2HZ   LYS   7          2HZ       LYS   7   7.157  -1.903   6.935
   53   3HZ   LYS   7          3HZ       LYS   7   5.547  -2.077   6.422
   54    H    SER   8           H        SER   8   0.491   0.750   8.025
   55    HA   SER   8           HA       SER   8  -1.902   1.466   6.778
   56   1HB   SER   8          2HB       SER   8   0.055   2.933   8.545
   57   2HB   SER   8          1HB       SER   8  -1.452   3.694   8.045
   58    HG   SER   8           HG       SER   8  -0.992   1.634   9.816
   59    H    CYS   9           H        CYS   9  -2.322   2.415   4.833
   60    HA   CYS   9           HA       CYS   9  -0.605   4.610   3.827
   61   1HB   CYS   9          2HB       CYS   9   0.478   2.554   3.039
   62   2HB   CYS   9          1HB       CYS   9  -1.055   1.974   2.387
   63    H    VAL  10           H        VAL  10  -1.756   5.987   2.433
   64    HA   VAL  10           HA       VAL  10  -4.683   5.547   2.272
   65    HB   VAL  10           HB       VAL  10  -2.874   7.872   1.519
   66   1HG1  VAL  10          1HG1      VAL  10  -5.591   8.588   2.160
   67   2HG1  VAL  10          2HG1      VAL  10  -5.593   7.380   0.876
   68   3HG1  VAL  10          3HG1      VAL  10  -4.696   8.884   0.670
   69   1HG2  VAL  10          1HG2      VAL  10  -2.695   7.727   3.845
   70   2HG2  VAL  10          2HG2      VAL  10  -4.320   7.068   4.030
   71   3HG2  VAL  10          3HG2      VAL  10  -4.098   8.780   3.670
   72    HA   PRO  11           HA       PRO  11  -4.129   4.089  -1.921
   73   1HB   PRO  11          2HB       PRO  11  -6.789   3.794  -2.501
   74   2HB   PRO  11          1HB       PRO  11  -5.876   2.627  -1.525
   75   1HG   PRO  11          2HG       PRO  11  -7.743   4.772  -0.652
   76   2HG   PRO  11          1HG       PRO  11  -7.514   3.141  -0.005
   77   1HD   PRO  11          2HD       PRO  11  -6.491   5.388   1.161
   78   2HD   PRO  11          1HD       PRO  11  -5.769   3.772   1.329
   79    H    GLY  12           H        GLY  12  -3.487   5.732  -3.281
   80   1HA   GLY  12          2HA       GLY  12  -4.896   7.145  -5.069
   81   2HA   GLY  12          1HA       GLY  12  -5.195   8.127  -3.633
   82    H    LYS  13           H        LYS  13  -2.750   8.028  -2.343
   83    HA   LYS  13           HA       LYS  13  -1.088   9.712  -4.124
   84   1HB   LYS  13          2HB       LYS  13  -1.786   9.663  -1.408
   85   2HB   LYS  13          1HB       LYS  13  -0.085   9.197  -1.433
   86   1HG   LYS  13          2HG       LYS  13  -0.002  11.239  -3.196
   87   2HG   LYS  13          1HG       LYS  13  -1.353  11.776  -2.197
   88   1HD   LYS  13          2HD       LYS  13   1.036  10.752  -0.749
   89   2HD   LYS  13          1HD       LYS  13   1.220  12.301  -1.570
   90   1HE   LYS  13          2HE       LYS  13  -1.292  11.989  -0.010
   91   2HE   LYS  13          1HE       LYS  13   0.203  12.085   0.942
   92   1HZ   LYS  13          1HZ       LYS  13  -0.572  13.962  -1.233
   93   2HZ   LYS  13          2HZ       LYS  13   0.847  14.048  -0.300
   94   3HZ   LYS  13          3HZ       LYS  13  -0.668  14.298   0.427
   95    H    ASN  14           H        ASN  14  -1.178   6.432  -3.031
   96    HA   ASN  14           HA       ASN  14   0.304   4.629  -3.307
   97   1HB   ASN  14          2HB       ASN  14   0.394   6.300  -5.555
   98   2HB   ASN  14          1HB       ASN  14   2.088   5.988  -5.178
   99   1HD2  ASN  14          1HD2      ASN  14   2.917   3.961  -5.791
  100   2HD2  ASN  14          2HD2      ASN  14   1.966   2.661  -6.328
  101    H    GLU  15           H        GLU  15   1.092   5.085  -1.078
  102    HA   GLU  15           HA       GLU  15   3.736   6.461  -0.914
  103   1HB   GLU  15          2HB       GLU  15   1.770   5.429   1.155
  104   2HB   GLU  15          1HB       GLU  15   3.276   6.258   1.543
  105   1HG   GLU  15          2HG       GLU  15   2.116   8.189   1.410
  106   2HG   GLU  15          1HG       GLU  15   2.056   7.926  -0.333
  107    H    CYS  16           H        CYS  16   2.639   3.350  -1.506
  108    HA   CYS  16           HA       CYS  16   4.480   1.880   0.245
  109   1HB   CYS  16          2HB       CYS  16   2.135   1.297  -0.927
  110   2HB   CYS  16          1HB       CYS  16   3.213   0.680  -2.179
  111    H    CYS  17           H        CYS  17   6.047   0.290  -0.839
  112    HA   CYS  17           HA       CYS  17   7.890   1.754  -2.563
  113   1HB   CYS  17          2HB       CYS  17   8.000  -0.287  -0.693
  114   2HB   CYS  17          1HB       CYS  17   8.295  -1.137  -2.210
  115    H    SER  18           H        SER  18   8.714   0.783  -4.632
  116    HA   SER  18           HA       SER  18   6.675   0.358  -6.569
  117   1HB   SER  18          2HB       SER  18   8.637  -0.339  -7.985
  118   2HB   SER  18          1HB       SER  18   8.905   1.165  -7.110
  119    HG   SER  18           HG       SER  18  10.659   0.082  -6.556
  120    H    GLY  19           H        GLY  19   5.440  -1.433  -6.941
  121   1HA   GLY  19          2HA       GLY  19   5.592  -3.899  -7.539
  122   2HA   GLY  19          1HA       GLY  19   6.487  -4.087  -6.032
  123    H    TYR  20           H        TYR  20   4.887  -2.337  -4.412
  124    HA   TYR  20           HA       TYR  20   2.384  -3.979  -4.215
  125   1HB   TYR  20          2HB       TYR  20   3.729  -2.321  -2.063
  126   2HB   TYR  20          1HB       TYR  20   2.544  -3.605  -1.846
  127    HD1  TYR  20           HD1      TYR  20   3.445  -5.813  -3.432
  128    HD2  TYR  20           HD2      TYR  20   5.798  -2.978  -1.225
  129    HE1  TYR  20           HE1      TYR  20   5.282  -7.468  -3.267
  130    HE2  TYR  20           HE2      TYR  20   7.636  -4.632  -1.061
  131    HH   TYR  20           HH       TYR  20   7.492  -7.564  -1.242
  132    H    ALA  21           H        ALA  21   0.405  -2.915  -4.143
  133    HA   ALA  21           HA       ALA  21   0.451   0.072  -4.457
  134   1HB   ALA  21          1HB       ALA  21  -1.703  -0.347  -5.679
  135   2HB   ALA  21          2HB       ALA  21  -1.463  -2.076  -5.429
  136   3HB   ALA  21          3HB       ALA  21  -0.326  -1.162  -6.420
  137    H    CYS  22           H        CYS  22  -0.751   1.270  -2.987
  138    HA   CYS  22           HA       CYS  22  -1.757   0.004  -0.581
  139   1HB   CYS  22          2HB       CYS  22  -1.980   2.806  -1.727
  140   2HB   CYS  22          1HB       CYS  22  -2.462   2.371  -0.087
  141    H    ASN  23           H        ASN  23  -3.757  -0.884  -0.296
  142    HA   ASN  23           HA       ASN  23  -5.868  -0.389  -2.337
  143   1HB   ASN  23          2HB       ASN  23  -6.809  -2.447  -1.483
  144   2HB   ASN  23          1HB       ASN  23  -5.074  -2.690  -1.652
  145   1HD2  ASN  23          1HD2      ASN  23  -6.694  -4.252   0.162
  146   2HD2  ASN  23          2HD2      ASN  23  -6.198  -3.894   1.745
  147    H    SER  24           H        SER  24  -8.197  -0.624  -1.161
  148    HA   SER  24           HA       SER  24  -8.277   1.529   0.922
  149   1HB   SER  24          2HB       SER  24  -9.361   1.585  -1.488
  150   2HB   SER  24          1HB       SER  24 -10.620   0.619  -0.722
  151    HG   SER  24           HG       SER  24 -11.287   2.354   0.248
  152    H    ARG  25           H        ARG  25  -9.106  -1.820   0.293
  153    HA   ARG  25           HA       ARG  25 -11.212  -2.268   2.134
  154   1HB   ARG  25          2HB       ARG  25  -9.077  -3.797   0.776
  155   2HB   ARG  25          1HB       ARG  25  -9.682  -4.550   2.252
  156   1HG   ARG  25          2HG       ARG  25 -11.691  -3.444   0.337
  157   2HG   ARG  25          1HG       ARG  25 -10.879  -4.946  -0.104
  158   1HD   ARG  25          2HD       ARG  25 -11.795  -4.888   2.701
  159   2HD   ARG  25          1HD       ARG  25 -13.108  -4.814   1.510
  160    HE   ARG  25           HE       ARG  25 -11.199  -7.044   1.832
  161   1HH1  ARG  25          2HH1      ARG  25 -14.251  -7.167   1.462
  162   2HH1  ARG  25          1HH1      ARG  25 -14.356  -7.799  -0.147
  163   1HH2  ARG  25          1HH2      ARG  25 -11.036  -7.121  -0.917
  164   2HH2  ARG  25          2HH2      ARG  25 -12.532  -7.774  -1.497
  165    H    ASP  26           H        ASP  26  -7.696  -2.731   2.737
  166    HA   ASP  26           HA       ASP  26  -8.234  -2.538   5.673
  167   1HB   ASP  26          2HB       ASP  26  -6.906  -4.400   4.218
  168   2HB   ASP  26          1HB       ASP  26  -5.576  -3.303   4.582
  169    H    LYS  27           H        LYS  27  -7.377  -0.494   3.194
  170    HA   LYS  27           HA       LYS  27  -6.254   1.569   3.081
  171   1HB   LYS  27          2HB       LYS  27  -6.656   1.310   6.081
  172   2HB   LYS  27          1HB       LYS  27  -6.310   2.813   5.228
  173   1HG   LYS  27          2HG       LYS  27  -8.395   2.496   3.894
  174   2HG   LYS  27          1HG       LYS  27  -8.756   1.058   4.849
  175   1HD   LYS  27          2HD       LYS  27  -8.347   3.819   6.032
  176   2HD   LYS  27          1HD       LYS  27  -9.927   3.123   5.669
  177   1HE   LYS  27          2HE       LYS  27  -9.050   1.096   7.124
  178   2HE   LYS  27          1HE       LYS  27  -7.953   2.320   7.791
  179   1HZ   LYS  27          1HZ       LYS  27 -10.914   2.530   7.598
  180   2HZ   LYS  27          2HZ       LYS  27  -9.887   3.772   8.136
  181   3HZ   LYS  27          3HZ       LYS  27 -10.016   2.329   9.023
  182    H    TRP  28           H        TRP  28  -4.489  -0.625   2.950
  183    HA   TRP  28           HA       TRP  28  -2.066   0.575   4.171
  184   1HB   TRP  28          2HB       TRP  28  -1.425  -1.510   5.241
  185   2HB   TRP  28          1HB       TRP  28  -3.033  -1.065   5.787
  186    HD1  TRP  28           HD1      TRP  28  -3.475  -2.377   2.408
  187    HE1  TRP  28           HE1      TRP  28  -4.174  -4.851   2.448
  188    HE3  TRP  28           HE3      TRP  28  -2.379  -3.515   7.258
  189    HZ2  TRP  28           HZ2      TRP  28  -4.258  -7.033   4.293
  190    HZ3  TRP  28           HZ3      TRP  28  -2.778  -5.801   8.132
  191    HH2  TRP  28           HH2      TRP  28  -3.715  -7.560   6.656
  192    H    CYS  29           H        CYS  29  -0.217  -1.345   3.512
  193    HA   CYS  29           HA       CYS  29  -0.037  -1.047   0.612
  194   1HB   CYS  29          2HB       CYS  29   1.614  -2.097   2.874
  195   2HB   CYS  29          1HB       CYS  29   2.040  -2.606   1.241
  196    H    LYS  30           H        LYS  30  -0.779  -2.495  -0.869
  197    HA   LYS  30           HA       LYS  30  -1.325  -5.313   0.017
  198   1HB   LYS  30          2HB       LYS  30  -3.379  -4.071  -0.363
  199   2HB   LYS  30          1HB       LYS  30  -2.777  -3.459  -1.902
  200   1HG   LYS  30          2HG       LYS  30  -2.598  -6.318  -1.947
  201   2HG   LYS  30          1HG       LYS  30  -4.220  -5.873  -1.418
  202   1HD   LYS  30          2HD       LYS  30  -4.466  -4.392  -3.369
  203   2HD   LYS  30          1HD       LYS  30  -2.833  -4.803  -3.896
  204   1HE   LYS  30          2HE       LYS  30  -3.466  -7.136  -4.224
  205   2HE   LYS  30          1HE       LYS  30  -5.079  -6.825  -3.553
  206   1HZ   LYS  30          1HZ       LYS  30  -5.493  -5.230  -5.295
  207   2HZ   LYS  30          2HZ       LYS  30  -5.052  -6.713  -5.997
  208   3HZ   LYS  30          3HZ       LYS  30  -3.930  -5.440  -5.921
  209    H    VAL  31           H        VAL  31  -0.089  -6.786  -1.078
  210    HA   VAL  31           HA       VAL  31   1.775  -6.081  -3.131
  211    HB   VAL  31           HB       VAL  31   1.879  -8.015  -1.522
  212   1HG1  VAL  31          1HG1      VAL  31  -0.010  -9.398  -3.441
  213   2HG1  VAL  31          2HG1      VAL  31  -0.560  -8.661  -1.937
  214   3HG1  VAL  31          3HG1      VAL  31   0.592  -9.995  -1.894
  215   1HG2  VAL  31          1HG2      VAL  31   2.018  -9.047  -4.354
  216   2HG2  VAL  31          2HG2      VAL  31   3.090  -9.402  -3.000
  217   3HG2  VAL  31          3HG2      VAL  31   3.147  -7.821  -3.778
  218    H    LEU  32           H        LEU  32   1.726  -6.483  -5.389
  219    HA   LEU  32           HA       LEU  32  -1.010  -6.661  -6.571
  220   1HB   LEU  32          2HB       LEU  32   1.696  -5.671  -7.503
  221   2HB   LEU  32          1HB       LEU  32   0.320  -5.810  -8.597
  222    HG   LEU  32           HG       LEU  32   0.066  -4.317  -5.990
  223   1HD1  LEU  32          1HD1      LEU  32   1.627  -3.564  -8.356
  224   2HD1  LEU  32          2HD1      LEU  32   1.592  -2.829  -6.753
  225   3HD1  LEU  32          3HD1      LEU  32   0.379  -2.384  -7.954
  226   1HD2  LEU  32          1HD2      LEU  32  -1.667  -3.108  -7.370
  227   2HD2  LEU  32          2HD2      LEU  32  -2.006  -4.823  -7.142
  228   3HD2  LEU  32          3HD2      LEU  32  -1.347  -4.250  -8.674
  229    H    LEU  33           H        LEU  33  -0.959  -7.794  -8.834
  230    HA   LEU  33           HA       LEU  33   0.804 -10.211  -8.800
  231   1HB   LEU  33          1HB       LEU  33  -1.186 -11.598  -9.242
  232   2HB   LEU  33          2HB       LEU  33  -1.373 -10.713  -7.730
  233    HG   LEU  33           HG       LEU  33  -2.398  -8.957  -9.620
  234   1HD1  LEU  33          1HD1      LEU  33  -2.255 -11.238 -11.042
  235   2HD1  LEU  33          2HD1      LEU  33  -3.802 -11.510 -10.240
  236   3HD1  LEU  33          3HD1      LEU  33  -3.569 -10.081 -11.247
  237   1HD2  LEU  33          1HD2      LEU  33  -3.213  -9.810  -7.283
  238   2HD2  LEU  33          2HD2      LEU  33  -4.413  -9.251  -8.448
  239   3HD2  LEU  33          3HD2      LEU  33  -4.141 -10.978  -8.224
  240   1HN   NH2  34          1HN       NH2  34   0.768  -8.062 -11.848
  241   2HN   NH2  34          2HN       NH2  34   0.914  -7.826 -10.093
  Start of MODEL    7
    1   1H    GLU   1          1H        GLU   1  10.549   6.055   3.655
    2   2H    GLU   1          2H        GLU   1   9.265   5.420   2.741
    3   3H    GLU   1          3H        GLU   1  10.859   4.916   2.438
    4    HA   GLU   1           HA       GLU   1  10.969   3.893   4.651
    5   1HB   GLU   1          2HB       GLU   1   8.604   5.561   4.846
    6   2HB   GLU   1          1HB       GLU   1   8.228   3.907   5.327
    7   1HG   GLU   1          2HG       GLU   1   8.992   4.880   7.329
    8   2HG   GLU   1          1HG       GLU   1  10.423   4.050   6.717
    9    H    CYS   2           H        CYS   2  10.026   1.695   5.020
   10    HA   CYS   2           HA       CYS   2   8.815   0.590   2.506
   11   1HB   CYS   2          2HB       CYS   2  11.107  -0.066   4.148
   12   2HB   CYS   2          1HB       CYS   2  10.006  -1.442   4.077
   13    H    LYS   3           H        LYS   3   6.682   0.087   2.813
   14    HA   LYS   3           HA       LYS   3   5.741  -0.698   5.541
   15   1HB   LYS   3          2HB       LYS   3   4.606   0.616   3.114
   16   2HB   LYS   3          1HB       LYS   3   3.500  -0.362   4.079
   17   1HG   LYS   3          2HG       LYS   3   4.238   0.904   6.112
   18   2HG   LYS   3          1HG       LYS   3   5.193   1.951   5.062
   19   1HD   LYS   3          2HD       LYS   3   2.434   1.641   4.131
   20   2HD   LYS   3          1HD       LYS   3   2.532   2.348   5.744
   21   1HE   LYS   3          2HE       LYS   3   4.419   3.399   3.669
   22   2HE   LYS   3          1HE       LYS   3   2.717   3.887   3.565
   23   1HZ   LYS   3          1HZ       LYS   3   3.950   5.372   5.026
   24   2HZ   LYS   3          2HZ       LYS   3   4.424   4.060   5.995
   25   3HZ   LYS   3          3HZ       LYS   3   2.786   4.506   5.904
   26    H    GLY   4           H        GLY   4   4.861  -2.737   5.886
   27   1HA   GLY   4          2HA       GLY   4   5.312  -4.773   3.823
   28   2HA   GLY   4          1HA       GLY   4   4.745  -5.069   5.466
   29    H    PHE   5           H        PHE   5   2.528  -5.202   5.843
   30    HA   PHE   5           HA       PHE   5   0.661  -4.465   3.638
   31   1HB   PHE   5          2HB       PHE   5   1.285  -6.765   3.194
   32   2HB   PHE   5          1HB       PHE   5   1.036  -7.207   4.882
   33    HD1  PHE   5           HD1      PHE   5  -0.970  -8.255   5.422
   34    HD2  PHE   5           HD2      PHE   5  -0.857  -5.544   2.090
   35    HE1  PHE   5           HE1      PHE   5  -3.357  -8.733   4.951
   36    HE2  PHE   5           HE2      PHE   5  -3.243  -6.023   1.619
   37    HZ   PHE   5           HZ       PHE   5  -4.493  -7.617   3.049
   38    H    GLY   6           H        GLY   6  -1.343  -3.802   4.417
   39   1HA   GLY   6          2HA       GLY   6  -3.119  -3.526   5.960
   40   2HA   GLY   6          1HA       GLY   6  -2.232  -4.511   7.120
   41    H    LYS   7           H        LYS   7  -1.291  -1.504   5.425
   42    HA   LYS   7           HA       LYS   7  -1.182  -0.101   8.062
   43   1HB   LYS   7          2HB       LYS   7   1.027  -0.795   6.164
   44   2HB   LYS   7          1HB       LYS   7   1.113   0.764   6.983
   45   1HG   LYS   7          2HG       LYS   7   0.609  -1.812   8.484
   46   2HG   LYS   7          1HG       LYS   7   2.237  -1.206   8.178
   47   1HD   LYS   7          2HD       LYS   7   2.016   0.536   9.649
   48   2HD   LYS   7          1HD       LYS   7   0.303   0.756   9.293
   49   1HE   LYS   7          2HE       LYS   7   0.090  -0.163  11.407
   50   2HE   LYS   7          1HE       LYS   7   0.198  -1.678  10.490
   51   1HZ   LYS   7          1HZ       LYS   7   2.609  -1.619  10.760
   52   2HZ   LYS   7          2HZ       LYS   7   1.834  -1.641  12.272
   53   3HZ   LYS   7          3HZ       LYS   7   2.490  -0.193  11.672
   54    H    SER   8           H        SER   8  -2.342   1.754   7.787
   55    HA   SER   8           HA       SER   8  -3.383   2.800   5.406
   56   1HB   SER   8          2HB       SER   8  -3.264   3.452   8.151
   57   2HB   SER   8          1HB       SER   8  -2.739   4.900   7.298
   58    HG   SER   8           HG       SER   8  -5.190   3.572   7.271
   59    H    CYS   9           H        CYS   9  -2.464   3.811   3.680
   60    HA   CYS   9           HA       CYS   9   0.002   5.448   4.065
   61   1HB   CYS   9          2HB       CYS   9   1.119   4.231   2.266
   62   2HB   CYS   9          1HB       CYS   9   0.585   3.073   3.483
   63    H    VAL  10           H        VAL  10   0.470   5.981   1.344
   64    HA   VAL  10           HA       VAL  10  -1.979   7.542   0.630
   65    HB   VAL  10           HB       VAL  10   0.944   7.769  -0.168
   66   1HG1  VAL  10          1HG1      VAL  10   0.225   9.093  -1.841
   67   2HG1  VAL  10          2HG1      VAL  10  -0.453  10.183  -0.633
   68   3HG1  VAL  10          3HG1      VAL  10  -1.450   8.903  -1.323
   69   1HG2  VAL  10          1HG2      VAL  10   0.659   8.381   2.146
   70   2HG2  VAL  10          2HG2      VAL  10  -0.803   9.298   1.782
   71   3HG2  VAL  10          3HG2      VAL  10   0.766   9.883   1.227
   72    HA   PRO  11           HA       PRO  11  -2.242   4.405  -2.619
   73   1HB   PRO  11          2HB       PRO  11  -4.786   5.052  -3.395
   74   2HB   PRO  11          1HB       PRO  11  -4.434   4.029  -1.989
   75   1HG   PRO  11          2HG       PRO  11  -5.187   6.901  -2.097
   76   2HG   PRO  11          1HG       PRO  11  -5.641   5.656  -0.923
   77   1HD   PRO  11          2HD       PRO  11  -3.722   7.557  -0.471
   78   2HD   PRO  11          1HD       PRO  11  -3.763   5.973   0.333
   79    H    GLY  12           H        GLY  12  -1.885   4.619  -4.852
   80   1HA   GLY  12          2HA       GLY  12  -2.110   5.802  -6.976
   81   2HA   GLY  12          1HA       GLY  12  -2.294   7.309  -6.077
   82    H    LYS  13           H        LYS  13  -0.131   7.113  -4.296
   83    HA   LYS  13           HA       LYS  13   2.128   7.642  -6.134
   84   1HB   LYS  13          2HB       LYS  13   1.662   7.982  -3.155
   85   2HB   LYS  13          1HB       LYS  13   3.154   8.453  -3.968
   86   1HG   LYS  13          2HG       LYS  13   1.433   9.716  -5.580
   87   2HG   LYS  13          1HG       LYS  13   0.438   9.686  -4.124
   88   1HD   LYS  13          2HD       LYS  13   1.587  11.512  -3.453
   89   2HD   LYS  13          1HD       LYS  13   2.951  10.427  -3.181
   90   1HE   LYS  13          2HE       LYS  13   3.682  10.792  -5.543
   91   2HE   LYS  13          1HE       LYS  13   2.362  11.962  -5.740
   92   1HZ   LYS  13          1HZ       LYS  13   3.225  13.202  -3.848
   93   2HZ   LYS  13          2HZ       LYS  13   4.407  13.072  -5.062
   94   3HZ   LYS  13          3HZ       LYS  13   4.500  12.096  -3.675
   95    H    ASN  14           H        ASN  14   0.970   4.951  -4.403
   96    HA   ASN  14           HA       ASN  14   1.936   2.897  -3.780
   97   1HB   ASN  14          2HB       ASN  14   3.837   3.917  -5.915
   98   2HB   ASN  14          1HB       ASN  14   3.865   2.270  -5.290
   99   1HD2  ASN  14          1HD2      ASN  14   2.261   4.409  -7.509
  100   2HD2  ASN  14          2HD2      ASN  14   1.068   3.317  -8.023
  101    H    GLU  15           H        GLU  15   2.416   4.266  -1.688
  102    HA   GLU  15           HA       GLU  15   5.335   4.695  -1.271
  103   1HB   GLU  15          2HB       GLU  15   2.763   5.628  -0.108
  104   2HB   GLU  15          1HB       GLU  15   4.098   5.455   1.032
  105   1HG   GLU  15          2HG       GLU  15   5.403   7.063  -0.037
  106   2HG   GLU  15          1HG       GLU  15   4.583   6.847  -1.584
  107    H    CYS  16           H        CYS  16   5.180   2.098  -1.523
  108    HA   CYS  16           HA       CYS  16   5.127   1.004   1.268
  109   1HB   CYS  16          2HB       CYS  16   3.716   0.132  -1.226
  110   2HB   CYS  16          1HB       CYS  16   4.278  -1.118  -0.118
  111    H    CYS  17           H        CYS  17   6.226  -1.319   1.153
  112    HA   CYS  17           HA       CYS  17   8.905  -0.936   0.023
  113   1HB   CYS  17          2HB       CYS  17   7.986  -2.082   2.249
  114   2HB   CYS  17          1HB       CYS  17   7.929  -3.508   1.215
  115    H    SER  18           H        SER  18   9.862  -3.055  -1.081
  116    HA   SER  18           HA       SER  18   8.655  -3.382  -3.648
  117   1HB   SER  18          2HB       SER  18  11.061  -3.728  -2.958
  118   2HB   SER  18          1HB       SER  18  10.570  -5.242  -2.206
  119    HG   SER  18           HG       SER  18  10.662  -4.513  -4.915
  120    H    GLY  19           H        GLY  19   7.065  -4.769  -4.352
  121   1HA   GLY  19          2HA       GLY  19   5.806  -6.806  -4.412
  122   2HA   GLY  19          1HA       GLY  19   6.459  -7.231  -2.831
  123    H    TYR  20           H        TYR  20   5.466  -4.029  -2.678
  124    HA   TYR  20           HA       TYR  20   2.692  -4.764  -1.821
  125   1HB   TYR  20          2HB       TYR  20   4.691  -2.999  -0.364
  126   2HB   TYR  20          1HB       TYR  20   3.059  -3.378   0.184
  127    HD1  TYR  20           HD1      TYR  20   2.522  -6.008   0.271
  128    HD2  TYR  20           HD2      TYR  20   6.444  -4.269   0.475
  129    HE1  TYR  20           HE1      TYR  20   3.376  -8.061   1.369
  130    HE2  TYR  20           HE2      TYR  20   7.298  -6.321   1.572
  131    HH   TYR  20           HH       TYR  20   6.339  -8.982   1.494
  132    H    ALA  21           H        ALA  21   1.142  -3.149  -2.258
  133    HA   ALA  21           HA       ALA  21   2.112  -0.544  -3.364
  134   1HB   ALA  21          1HB       ALA  21   0.636  -0.851  -5.297
  135   2HB   ALA  21          2HB       ALA  21   0.064  -2.386  -4.643
  136   3HB   ALA  21          3HB       ALA  21   1.737  -2.225  -5.178
  137    H    CYS  22           H        CYS  22   0.784   1.182  -2.800
  138    HA   CYS  22           HA       CYS  22  -1.218   0.821  -0.742
  139   1HB   CYS  22          2HB       CYS  22  -0.204   3.091  -2.450
  140   2HB   CYS  22          1HB       CYS  22  -1.560   3.336  -1.350
  141    H    ASN  23           H        ASN  23  -3.416   0.543  -0.974
  142    HA   ASN  23           HA       ASN  23  -4.553   0.668  -3.746
  143   1HB   ASN  23          2HB       ASN  23  -4.423  -1.392  -1.970
  144   2HB   ASN  23          1HB       ASN  23  -5.986  -0.700  -1.534
  145   1HD2  ASN  23          1HD2      ASN  23  -7.742  -1.178  -2.904
  146   2HD2  ASN  23          2HD2      ASN  23  -7.595  -1.943  -4.412
  147    H    SER  24           H        SER  24  -6.781   1.487  -3.929
  148    HA   SER  24           HA       SER  24  -7.280   3.795  -2.150
  149   1HB   SER  24          2HB       SER  24  -9.003   4.288  -3.876
  150   2HB   SER  24          1HB       SER  24  -7.425   3.988  -4.597
  151    HG   SER  24           HG       SER  24  -8.261   2.338  -5.588
  152    H    ARG  25           H        ARG  25  -8.805   0.684  -2.978
  153    HA   ARG  25           HA       ARG  25 -11.298   1.002  -1.656
  154   1HB   ARG  25          2HB       ARG  25 -10.346  -0.853  -3.200
  155   2HB   ARG  25          1HB       ARG  25  -9.686  -1.554  -1.722
  156   1HG   ARG  25          2HG       ARG  25 -12.532  -0.757  -1.565
  157   2HG   ARG  25          1HG       ARG  25 -12.189  -2.090  -2.668
  158   1HD   ARG  25          2HD       ARG  25 -12.019  -3.492  -0.900
  159   2HD   ARG  25          1HD       ARG  25 -10.679  -2.518  -0.265
  160    HE   ARG  25           HE       ARG  25 -12.550  -0.986   0.659
  161   1HH1  ARG  25          2HH1      ARG  25 -14.842  -2.599  -0.360
  162   2HH1  ARG  25          1HH1      ARG  25 -15.237  -3.591   1.005
  163   1HH2  ARG  25          1HH2      ARG  25 -12.218  -3.027   2.626
  164   2HH2  ARG  25          2HH2      ARG  25 -13.749  -3.833   2.698
  165    H    ASP  26           H        ASP  26  -8.226  -0.349  -0.377
  166    HA   ASP  26           HA       ASP  26  -9.349  -0.311   2.382
  167   1HB   ASP  26          2HB       ASP  26  -6.911  -1.477   1.027
  168   2HB   ASP  26          1HB       ASP  26  -7.080  -1.474   2.782
  169    H    LYS  27           H        LYS  27  -7.312   1.594   0.331
  170    HA   LYS  27           HA       LYS  27  -5.991   3.499   0.731
  171   1HB   LYS  27          2HB       LYS  27  -7.749   3.413   3.205
  172   2HB   LYS  27          1HB       LYS  27  -6.729   4.787   2.778
  173   1HG   LYS  27          2HG       LYS  27  -7.970   4.536   0.436
  174   2HG   LYS  27          1HG       LYS  27  -9.208   3.779   1.439
  175   1HD   LYS  27          2HD       LYS  27  -9.450   5.736   2.788
  176   2HD   LYS  27          1HD       LYS  27  -7.991   6.464   2.116
  177   1HE   LYS  27          2HE       LYS  27 -10.207   5.745   0.223
  178   2HE   LYS  27          1HE       LYS  27 -10.380   7.204   1.217
  179   1HZ   LYS  27          1HZ       LYS  27  -9.200   7.675  -0.857
  180   2HZ   LYS  27          2HZ       LYS  27  -8.009   6.534  -0.451
  181   3HZ   LYS  27          3HZ       LYS  27  -8.203   7.937   0.489
  182    H    TRP  28           H        TRP  28  -4.899   0.888   1.536
  183    HA   TRP  28           HA       TRP  28  -2.904   1.879   3.507
  184   1HB   TRP  28          2HB       TRP  28  -3.196  -0.053   4.922
  185   2HB   TRP  28          1HB       TRP  28  -4.780   0.658   4.665
  186    HD1  TRP  28           HD1      TRP  28  -4.172  -1.018   1.533
  187    HE1  TRP  28           HE1      TRP  28  -5.157  -3.394   1.496
  188    HE3  TRP  28           HE3      TRP  28  -4.994  -1.705   6.523
  189    HZ2  TRP  28           HZ2      TRP  28  -6.168  -5.332   3.337
  190    HZ3  TRP  28           HZ3      TRP  28  -5.972  -3.824   7.353
  191    HH2  TRP  28           HH2      TRP  28  -6.560  -5.638   5.768
  192    H    CYS  29           H        CYS  29  -1.275  -0.242   3.779
  193    HA   CYS  29           HA       CYS  29  -0.083  -0.531   1.125
  194   1HB   CYS  29          2HB       CYS  29   0.990  -0.264   3.498
  195   2HB   CYS  29          1HB       CYS  29   0.741  -2.005   3.624
  196    H    LYS  30           H        LYS  30  -0.660  -2.126  -0.280
  197    HA   LYS  30           HA       LYS  30  -1.966  -4.601   0.790
  198   1HB   LYS  30          2HB       LYS  30  -2.738  -2.768  -1.118
  199   2HB   LYS  30          1HB       LYS  30  -2.012  -4.037  -2.105
  200   1HG   LYS  30          2HG       LYS  30  -3.499  -5.689  -1.269
  201   2HG   LYS  30          1HG       LYS  30  -4.008  -4.665   0.073
  202   1HD   LYS  30          2HD       LYS  30  -5.303  -3.274  -1.312
  203   2HD   LYS  30          1HD       LYS  30  -4.461  -3.792  -2.774
  204   1HE   LYS  30          2HE       LYS  30  -5.913  -5.507  -3.086
  205   2HE   LYS  30          1HE       LYS  30  -5.721  -6.050  -1.407
  206   1HZ   LYS  30          1HZ       LYS  30  -7.379  -3.748  -2.303
  207   2HZ   LYS  30          2HZ       LYS  30  -7.178  -4.256  -0.693
  208   3HZ   LYS  30          3HZ       LYS  30  -7.977  -5.256  -1.809
  209    H    VAL  31           H        VAL  31  -1.528  -6.518  -0.903
  210    HA   VAL  31           HA       VAL  31   1.446  -6.678  -1.271
  211    HB   VAL  31           HB       VAL  31  -0.684  -8.812  -0.881
  212   1HG1  VAL  31          1HG1      VAL  31   0.957  -9.986  -2.011
  213   2HG1  VAL  31          2HG1      VAL  31   1.589 -10.106  -0.368
  214   3HG1  VAL  31          3HG1      VAL  31   2.245  -8.904  -1.480
  215   1HG2  VAL  31          1HG2      VAL  31   1.055  -7.259   0.951
  216   2HG2  VAL  31          2HG2      VAL  31   1.017  -8.997   1.244
  217   3HG2  VAL  31          3HG2      VAL  31  -0.480  -8.067   1.270
  218    H    LEU  32           H        LEU  32   2.247  -7.446  -3.272
  219    HA   LEU  32           HA       LEU  32   0.508  -7.063  -5.602
  220   1HB   LEU  32          2HB       LEU  32   3.258  -6.952  -4.946
  221   2HB   LEU  32          1HB       LEU  32   3.102  -8.237  -6.143
  222    HG   LEU  32           HG       LEU  32   1.439  -6.132  -7.038
  223   1HD1  LEU  32          1HD1      LEU  32   2.564  -4.551  -5.605
  224   2HD1  LEU  32          2HD1      LEU  32   3.184  -4.310  -7.238
  225   3HD1  LEU  32          3HD1      LEU  32   4.146  -5.191  -6.052
  226   1HD2  LEU  32          1HD2      LEU  32   3.029  -6.089  -8.913
  227   2HD2  LEU  32          2HD2      LEU  32   2.732  -7.753  -8.411
  228   3HD2  LEU  32          3HD2      LEU  32   4.225  -6.943  -7.937
  229    H    LEU  33           H        LEU  33  -0.357  -8.682  -6.896
  230    HA   LEU  33           HA       LEU  33  -0.245 -11.460  -5.864
  231   1HB   LEU  33          1HB       LEU  33  -1.908  -9.892  -7.834
  232   2HB   LEU  33          2HB       LEU  33  -2.001 -11.652  -7.794
  233    HG   LEU  33           HG       LEU  33  -2.177 -10.256  -5.171
  234   1HD1  LEU  33          1HD1      LEU  33  -3.591  -8.864  -6.691
  235   2HD1  LEU  33          2HD1      LEU  33  -4.496 -10.314  -7.127
  236   3HD1  LEU  33          3HD1      LEU  33  -4.537  -9.713  -5.469
  237   1HD2  LEU  33          1HD2      LEU  33  -3.688 -12.549  -6.470
  238   2HD2  LEU  33          2HD2      LEU  33  -2.311 -12.712  -5.380
  239   3HD2  LEU  33          3HD2      LEU  33  -3.834 -12.054  -4.784
  240   1HN   NH2  34          1HN       NH2  34   2.273 -10.665  -8.751
  241   2HN   NH2  34          2HN       NH2  34   1.576  -9.636  -7.481
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1  12.007   7.110   1.701
    2   2H    GLU   1          2H        GLU   1  12.606   8.144   2.908
    3   3H    GLU   1          3H        GLU   1  11.136   8.501   2.134
    4    HA   GLU   1           HA       GLU   1  11.655   6.194   3.949
    5   1HB   GLU   1          2HB       GLU   1  10.592   8.958   4.173
    6   2HB   GLU   1          1HB       GLU   1   9.647   7.719   4.999
    7   1HG   GLU   1          2HG       GLU   1  11.153   8.117   6.681
    8   2HG   GLU   1          1HG       GLU   1  12.126   6.966   5.766
    9    H    CYS   2           H        CYS   2  10.221   4.523   3.669
   10    HA   CYS   2           HA       CYS   2   7.795   5.016   1.964
   11   1HB   CYS   2          2HB       CYS   2   8.158   2.791   1.082
   12   2HB   CYS   2          1HB       CYS   2   9.692   3.654   1.000
   13    H    LYS   3           H        LYS   3   6.097   3.197   2.383
   14    HA   LYS   3           HA       LYS   3   5.771   2.881   5.345
   15   1HB   LYS   3          2HB       LYS   3   3.890   3.066   2.979
   16   2HB   LYS   3          1HB       LYS   3   3.333   2.536   4.566
   17   1HG   LYS   3          2HG       LYS   3   3.038   4.735   5.020
   18   2HG   LYS   3          1HG       LYS   3   4.794   4.812   5.161
   19   1HD   LYS   3          2HD       LYS   3   4.666   5.062   2.525
   20   2HD   LYS   3          1HD       LYS   3   3.038   5.637   2.881
   21   1HE   LYS   3          2HE       LYS   3   3.795   7.575   3.843
   22   2HE   LYS   3          1HE       LYS   3   5.194   6.773   4.585
   23   1HZ   LYS   3          1HZ       LYS   3   5.834   8.241   2.731
   24   2HZ   LYS   3          2HZ       LYS   3   4.892   7.304   1.673
   25   3HZ   LYS   3          3HZ       LYS   3   6.247   6.622   2.439
   26    H    GLY   4           H        GLY   4   5.386   0.813   6.199
   27   1HA   GLY   4          2HA       GLY   4   6.086  -1.463   4.467
   28   2HA   GLY   4          1HA       GLY   4   5.862  -1.521   6.215
   29    H    PHE   5           H        PHE   5   4.612  -3.538   5.513
   30    HA   PHE   5           HA       PHE   5   2.055  -3.233   4.164
   31   1HB   PHE   5          2HB       PHE   5   3.345  -5.320   4.191
   32   2HB   PHE   5          1HB       PHE   5   3.226  -5.394   5.948
   33    HD1  PHE   5           HD1      PHE   5   1.436  -5.850   2.771
   34    HD2  PHE   5           HD2      PHE   5   1.085  -5.908   7.053
   35    HE1  PHE   5           HE1      PHE   5  -0.735  -7.035   2.581
   36    HE2  PHE   5           HE2      PHE   5  -1.085  -7.091   6.860
   37    HZ   PHE   5           HZ       PHE   5  -1.994  -7.655   4.623
   38    H    GLY   6           H        GLY   6  -0.027  -3.149   5.110
   39   1HA   GLY   6          2HA       GLY   6  -1.643  -2.929   6.823
   40   2HA   GLY   6          1HA       GLY   6  -0.377  -3.223   8.014
   41    H    LYS   7           H        LYS   7  -0.495  -0.726   5.475
   42    HA   LYS   7           HA       LYS   7  -0.583   1.367   7.623
   43   1HB   LYS   7          2HB       LYS   7   1.393   0.774   5.477
   44   2HB   LYS   7          1HB       LYS   7   1.007   2.477   5.720
   45   1HG   LYS   7          2HG       LYS   7   1.723   0.657   8.025
   46   2HG   LYS   7          1HG       LYS   7   2.949   1.536   7.112
   47   1HD   LYS   7          2HD       LYS   7   0.559   2.979   8.248
   48   2HD   LYS   7          1HD       LYS   7   1.972   2.653   9.252
   49   1HE   LYS   7          2HE       LYS   7   3.286   4.167   8.124
   50   2HE   LYS   7          1HE       LYS   7   2.515   3.823   6.564
   51   1HZ   LYS   7          1HZ       LYS   7   0.530   4.965   7.313
   52   2HZ   LYS   7          2HZ       LYS   7   1.866   6.008   7.421
   53   3HZ   LYS   7          3HZ       LYS   7   1.239   5.281   8.822
   54    H    SER   8           H        SER   8  -2.390   2.590   7.263
   55    HA   SER   8           HA       SER   8  -4.083   2.536   5.020
   56   1HB   SER   8          2HB       SER   8  -4.324   3.560   7.396
   57   2HB   SER   8          1HB       SER   8  -3.610   5.008   6.691
   58    HG   SER   8           HG       SER   8  -5.343   5.264   5.431
   59    H    CYS   9           H        CYS   9  -3.764   3.218   2.950
   60    HA   CYS   9           HA       CYS   9  -2.124   5.655   2.440
   61   1HB   CYS   9          2HB       CYS   9  -0.769   4.442   0.825
   62   2HB   CYS   9          1HB       CYS   9  -0.719   3.564   2.351
   63    H    VAL  10           H        VAL  10  -2.272   6.096  -0.093
   64    HA   VAL  10           HA       VAL  10  -5.160   5.915  -0.814
   65    HB   VAL  10           HB       VAL  10  -2.854   7.587  -1.878
   66   1HG1  VAL  10          1HG1      VAL  10  -5.833   7.633  -2.433
   67   2HG1  VAL  10          2HG1      VAL  10  -4.534   7.371  -3.596
   68   3HG1  VAL  10          3HG1      VAL  10  -4.747   8.957  -2.853
   69   1HG2  VAL  10          1HG2      VAL  10  -5.060   8.118   0.127
   70   2HG2  VAL  10          2HG2      VAL  10  -4.181   9.421  -0.673
   71   3HG2  VAL  10          3HG2      VAL  10  -3.319   8.282   0.362
   72    HA   PRO  11           HA       PRO  11  -3.939   2.790  -3.785
   73   1HB   PRO  11          2HB       PRO  11  -6.435   2.396  -4.837
   74   2HB   PRO  11          1HB       PRO  11  -5.924   1.707  -3.283
   75   1HG   PRO  11          2HG       PRO  11  -7.587   4.116  -3.830
   76   2HG   PRO  11          1HG       PRO  11  -7.759   2.889  -2.565
   77   1HD   PRO  11          2HD       PRO  11  -6.677   5.350  -2.129
   78   2HD   PRO  11          1HD       PRO  11  -6.240   3.907  -1.188
   79    H    GLY  12           H        GLY  12  -3.127   3.177  -5.830
   80   1HA   GLY  12          2HA       GLY  12  -3.560   3.921  -8.162
   81   2HA   GLY  12          1HA       GLY  12  -4.447   5.291  -7.492
   82    H    LYS  13           H        LYS  13  -2.553   5.914  -5.399
   83    HA   LYS  13           HA       LYS  13  -0.535   7.350  -7.019
   84   1HB   LYS  13          2HB       LYS  13  -1.705   7.455  -4.270
   85   2HB   LYS  13          1HB       LYS  13  -0.087   8.120  -4.483
   86   1HG   LYS  13          2HG       LYS  13  -1.235  10.007  -5.070
   87   2HG   LYS  13          1HG       LYS  13  -1.326   9.207  -6.639
   88   1HD   LYS  13          2HD       LYS  13  -3.494   8.156  -5.884
   89   2HD   LYS  13          1HD       LYS  13  -3.422   9.182  -4.451
   90   1HE   LYS  13          2HE       LYS  13  -3.081  10.543  -7.089
   91   2HE   LYS  13          1HE       LYS  13  -4.709   9.973  -6.674
   92   1HZ   LYS  13          1HZ       LYS  13  -4.285  12.201  -5.785
   93   2HZ   LYS  13          2HZ       LYS  13  -2.960  11.604  -4.904
   94   3HZ   LYS  13          3HZ       LYS  13  -4.534  11.076  -4.540
   95    H    ASN  14           H        ASN  14  -0.732   4.525  -4.980
   96    HA   ASN  14           HA       ASN  14   0.892   2.996  -4.241
   97   1HB   ASN  14          2HB       ASN  14   1.246   3.257  -6.787
   98   2HB   ASN  14          1HB       ASN  14   2.638   4.256  -6.367
   99   1HD2  ASN  14          1HD2      ASN  14   4.524   3.032  -6.412
  100   2HD2  ASN  14          2HD2      ASN  14   4.651   1.412  -5.919
  101    H    GLU  15           H        GLU  15   0.909   4.666  -2.340
  102    HA   GLU  15           HA       GLU  15   3.545   6.057  -2.116
  103   1HB   GLU  15          2HB       GLU  15   2.403   7.178  -0.180
  104   2HB   GLU  15          1HB       GLU  15   1.545   7.399  -1.703
  105   1HG   GLU  15          2HG       GLU  15  -0.245   6.149  -1.028
  106   2HG   GLU  15          1HG       GLU  15   0.760   5.003  -0.141
  107    H    CYS  16           H        CYS  16   4.111   3.489  -1.961
  108    HA   CYS  16           HA       CYS  16   4.498   2.951   0.955
  109   1HB   CYS  16          2HB       CYS  16   2.821   1.540  -0.962
  110   2HB   CYS  16          1HB       CYS  16   4.048   0.469  -0.287
  111    H    CYS  17           H        CYS  17   5.965   0.714   0.924
  112    HA   CYS  17           HA       CYS  17   8.463   1.496  -0.385
  113   1HB   CYS  17          2HB       CYS  17   7.663   0.034   1.852
  114   2HB   CYS  17          1HB       CYS  17   8.320  -1.192   0.768
  115    H    SER  18           H        SER  18   9.692  -0.120  -1.741
  116    HA   SER  18           HA       SER  18   8.256  -0.914  -4.073
  117   1HB   SER  18          2HB       SER  18  10.786  -0.481  -3.578
  118   2HB   SER  18          1HB       SER  18  10.828  -2.186  -3.143
  119    HG   SER  18           HG       SER  18  10.390  -0.958  -5.617
  120    H    GLY  19           H        GLY  19   6.999  -2.700  -4.442
  121   1HA   GLY  19          2HA       GLY  19   6.708  -5.139  -4.362
  122   2HA   GLY  19          1HA       GLY  19   7.439  -5.127  -2.758
  123    H    TYR  20           H        TYR  20   5.896  -2.805  -1.817
  124    HA   TYR  20           HA       TYR  20   3.300  -4.212  -1.356
  125   1HB   TYR  20          2HB       TYR  20   4.602  -1.910   0.136
  126   2HB   TYR  20          1HB       TYR  20   3.242  -2.889   0.688
  127    HD1  TYR  20           HD1      TYR  20   6.697  -2.449   0.977
  128    HD2  TYR  20           HD2      TYR  20   3.747  -5.550   0.587
  129    HE1  TYR  20           HE1      TYR  20   8.284  -4.082   1.957
  130    HE2  TYR  20           HE2      TYR  20   5.335  -7.183   1.568
  131    HH   TYR  20           HH       TYR  20   8.475  -6.831   1.717
  132    H    ALA  21           H        ALA  21   1.546  -3.426  -2.426
  133    HA   ALA  21           HA       ALA  21   1.592  -0.591  -3.408
  134   1HB   ALA  21          1HB       ALA  21   1.449  -2.223  -5.173
  135   2HB   ALA  21          2HB       ALA  21  -0.167  -1.541  -4.993
  136   3HB   ALA  21          3HB       ALA  21   0.202  -3.129  -4.317
  137    H    CYS  22           H        CYS  22  -0.864   0.191  -3.659
  138    HA   CYS  22           HA       CYS  22  -2.116  -0.118  -0.967
  139   1HB   CYS  22          2HB       CYS  22  -2.240   1.886  -3.229
  140   2HB   CYS  22          1HB       CYS  22  -3.409   1.926  -1.909
  141    H    ASN  23           H        ASN  23  -3.984  -1.325  -0.773
  142    HA   ASN  23           HA       ASN  23  -5.390  -2.148  -3.284
  143   1HB   ASN  23          2HB       ASN  23  -5.988  -4.123  -2.073
  144   2HB   ASN  23          1HB       ASN  23  -4.304  -3.807  -1.670
  145   1HD2  ASN  23          1HD2      ASN  23  -6.251  -5.295  -0.009
  146   2HD2  ASN  23          2HD2      ASN  23  -6.376  -4.449   1.457
  147    H    SER  24           H        SER  24  -7.842  -2.701  -2.718
  148    HA   SER  24           HA       SER  24  -9.006  -0.230  -1.497
  149   1HB   SER  24          2HB       SER  24 -10.928  -0.778  -2.939
  150   2HB   SER  24          1HB       SER  24  -9.443  -0.745  -3.883
  151    HG   SER  24           HG       SER  24  -9.706  -2.786  -4.294
  152    H    ARG  25           H        ARG  25  -8.893  -3.730  -1.162
  153    HA   ARG  25           HA       ARG  25 -11.271  -4.244   0.296
  154   1HB   ARG  25          2HB       ARG  25  -9.243  -5.714  -0.617
  155   2HB   ARG  25          1HB       ARG  25  -8.674  -5.544   1.043
  156   1HG   ARG  25          2HG       ARG  25  -9.987  -7.394   1.364
  157   2HG   ARG  25          1HG       ARG  25 -11.254  -6.178   1.527
  158   1HD   ARG  25          2HD       ARG  25 -11.869  -6.436  -0.827
  159   2HD   ARG  25          1HD       ARG  25 -10.527  -7.571  -1.078
  160    HE   ARG  25           HE       ARG  25 -12.989  -8.128   0.478
  161   1HH1  ARG  25          2HH1      ARG  25 -11.841  -9.867  -1.739
  162   2HH1  ARG  25          1HH1      ARG  25 -11.151 -11.168  -0.828
  163   1HH2  ARG  25          1HH2      ARG  25 -11.225  -9.443   2.190
  164   2HH2  ARG  25          2HH2      ARG  25 -10.801 -10.927   1.405
  165    H    ASP  26           H        ASP  26  -8.060  -3.217   1.488
  166    HA   ASP  26           HA       ASP  26  -9.320  -2.541   4.128
  167   1HB   ASP  26          2HB       ASP  26  -6.600  -3.556   3.289
  168   2HB   ASP  26          1HB       ASP  26  -6.855  -2.820   4.870
  169    H    LYS  27           H        LYS  27  -8.015  -1.175   1.312
  170    HA   LYS  27           HA       LYS  27  -7.297   0.994   0.764
  171   1HB   LYS  27          2HB       LYS  27  -9.333   1.122   2.649
  172   2HB   LYS  27          1HB       LYS  27  -8.086   2.161   3.341
  173   1HG   LYS  27          2HG       LYS  27  -7.929   3.133   0.908
  174   2HG   LYS  27          1HG       LYS  27  -9.539   2.437   0.725
  175   1HD   LYS  27          2HD       LYS  27 -10.335   3.699   2.670
  176   2HD   LYS  27          1HD       LYS  27  -8.719   4.357   2.924
  177   1HE   LYS  27          2HE       LYS  27  -9.409   6.087   1.606
  178   2HE   LYS  27          1HE       LYS  27  -9.226   4.955   0.252
  179   1HZ   LYS  27          1HZ       LYS  27 -11.476   5.845   0.324
  180   2HZ   LYS  27          2HZ       LYS  27 -11.669   5.291   1.917
  181   3HZ   LYS  27          3HZ       LYS  27 -11.489   4.180   0.644
  182    H    TRP  28           H        TRP  28  -5.378  -0.781   2.066
  183    HA   TRP  28           HA       TRP  28  -3.578   1.294   3.229
  184   1HB   TRP  28          2HB       TRP  28  -3.027  -0.162   5.089
  185   2HB   TRP  28          1HB       TRP  28  -4.774   0.018   5.027
  186    HD1  TRP  28           HD1      TRP  28  -4.083  -2.276   2.317
  187    HE1  TRP  28           HE1      TRP  28  -4.329  -4.729   3.053
  188    HE3  TRP  28           HE3      TRP  28  -4.060  -1.681   7.386
  189    HZ2  TRP  28           HZ2      TRP  28  -4.491  -6.245   5.469
  190    HZ3  TRP  28           HZ3      TRP  28  -4.261  -3.646   8.881
  191    HH2  TRP  28           HH2      TRP  28  -4.476  -5.925   7.930
  192    H    CYS  29           H        CYS  29  -1.363  -0.213   3.721
  193    HA   CYS  29           HA       CYS  29  -0.373  -0.793   1.043
  194   1HB   CYS  29          2HB       CYS  29   0.729   0.159   3.281
  195   2HB   CYS  29          1HB       CYS  29   1.077  -1.548   3.557
  196    H    LYS  30           H        LYS  30  -0.290  -2.776   0.062
  197    HA   LYS  30           HA       LYS  30  -0.569  -5.242   1.734
  198   1HB   LYS  30          2HB       LYS  30  -2.479  -4.043  -0.044
  199   2HB   LYS  30          1HB       LYS  30  -1.946  -5.570  -0.748
  200   1HG   LYS  30          2HG       LYS  30  -2.500  -5.636   2.163
  201   2HG   LYS  30          1HG       LYS  30  -3.907  -5.389   1.129
  202   1HD   LYS  30          2HD       LYS  30  -2.249  -7.433  -0.030
  203   2HD   LYS  30          1HD       LYS  30  -2.550  -7.829   1.661
  204   1HE   LYS  30          2HE       LYS  30  -4.448  -8.759   0.657
  205   2HE   LYS  30          1HE       LYS  30  -5.048  -7.130   1.021
  206   1HZ   LYS  30          1HZ       LYS  30  -5.418  -7.728  -1.313
  207   2HZ   LYS  30          2HZ       LYS  30  -3.748  -7.949  -1.528
  208   3HZ   LYS  30          3HZ       LYS  30  -4.366  -6.406  -1.172
  209    H    VAL  31           H        VAL  31   0.469  -7.089   0.816
  210    HA   VAL  31           HA       VAL  31   2.792  -6.595  -0.800
  211    HB   VAL  31           HB       VAL  31   2.374  -8.411   0.928
  212   1HG1  VAL  31          1HG1      VAL  31   1.077  -9.918  -1.346
  213   2HG1  VAL  31          2HG1      VAL  31   0.119  -9.023  -0.166
  214   3HG1  VAL  31          3HG1      VAL  31   1.144 -10.357   0.362
  215   1HG2  VAL  31          1HG2      VAL  31   3.812 -10.002  -0.170
  216   2HG2  VAL  31          2HG2      VAL  31   4.269  -8.402  -0.755
  217   3HG2  VAL  31          3HG2      VAL  31   3.285  -9.462  -1.764
  218    H    LEU  32           H        LEU  32   3.208  -7.188  -2.990
  219    HA   LEU  32           HA       LEU  32   0.793  -7.247  -4.731
  220   1HB   LEU  32          2HB       LEU  32   3.652  -6.431  -4.910
  221   2HB   LEU  32          1HB       LEU  32   2.915  -7.021  -6.399
  222    HG   LEU  32           HG       LEU  32   1.594  -4.920  -4.671
  223   1HD1  LEU  32          1HD1      LEU  32   3.548  -4.587  -6.963
  224   2HD1  LEU  32          2HD1      LEU  32   3.720  -3.977  -5.316
  225   3HD1  LEU  32          3HD1      LEU  32   2.494  -3.295  -6.386
  226   1HD2  LEU  32          1HD2      LEU  32   0.979  -6.348  -7.141
  227   2HD2  LEU  32          2HD2      LEU  32   0.959  -4.601  -7.379
  228   3HD2  LEU  32          3HD2      LEU  32  -0.069  -5.336  -6.149
  229    H    LEU  33           H        LEU  33   1.220  -8.629  -6.840
  230    HA   LEU  33           HA       LEU  33   1.917 -11.386  -5.936
  231   1HB   LEU  33          1HB       LEU  33   0.537 -12.062  -7.848
  232   2HB   LEU  33          2HB       LEU  33  -0.332 -10.881  -6.872
  233    HG   LEU  33           HG       LEU  33   1.234  -9.469  -8.815
  234   1HD1  LEU  33          1HD1      LEU  33   0.999 -11.783  -9.958
  235   2HD1  LEU  33          2HD1      LEU  33  -0.709 -11.375 -10.116
  236   3HD1  LEU  33          3HD1      LEU  33   0.514 -10.361 -10.881
  237   1HD2  LEU  33          1HD2      LEU  33  -0.877  -8.740  -7.681
  238   2HD2  LEU  33          2HD2      LEU  33  -0.948  -8.571  -9.435
  239   3HD2  LEU  33          3HD2      LEU  33  -1.762  -9.922  -8.646
  240   1HN   NH2  34          1HN       NH2  34   4.935 -11.461  -7.415
  241   2HN   NH2  34          2HN       NH2  34   3.870 -11.547  -5.996
  Start of MODEL    9
    1   1H    GLU   1          1H        GLU   1  12.727   4.210   0.649
    2   2H    GLU   1          2H        GLU   1  12.344   4.597   2.258
    3   3H    GLU   1          3H        GLU   1  12.684   5.833   1.144
    4    HA   GLU   1           HA       GLU   1  10.300   5.707   1.514
    5   1HB   GLU   1          2HB       GLU   1  11.656   5.031  -1.062
    6   2HB   GLU   1          1HB       GLU   1   9.894   4.979  -1.041
    7   1HG   GLU   1          2HG       GLU   1  10.734   7.345   0.338
    8   2HG   GLU   1          1HG       GLU   1  11.580   7.276  -1.208
    9    H    CYS   2           H        CYS   2   9.628   4.024   2.964
   10    HA   CYS   2           HA       CYS   2   8.531   1.623   1.612
   11   1HB   CYS   2          2HB       CYS   2  10.741   0.896   2.227
   12   2HB   CYS   2          1HB       CYS   2  10.607   1.637   3.821
   13    H    LYS   3           H        LYS   3   6.502   1.274   2.433
   14    HA   LYS   3           HA       LYS   3   5.759   2.580   5.020
   15   1HB   LYS   3          2HB       LYS   3   4.496   2.037   2.415
   16   2HB   LYS   3          1HB       LYS   3   3.450   1.685   3.789
   17   1HG   LYS   3          2HG       LYS   3   2.987   3.928   3.583
   18   2HG   LYS   3          1HG       LYS   3   4.413   4.052   4.613
   19   1HD   LYS   3          2HD       LYS   3   5.607   5.067   2.988
   20   2HD   LYS   3          1HD       LYS   3   5.138   3.855   1.796
   21   1HE   LYS   3          2HE       LYS   3   4.132   5.783   0.911
   22   2HE   LYS   3          1HE       LYS   3   2.804   5.130   1.891
   23   1HZ   LYS   3          1HZ       LYS   3   4.820   7.113   2.815
   24   2HZ   LYS   3          2HZ       LYS   3   3.550   6.481   3.751
   25   3HZ   LYS   3          3HZ       LYS   3   3.212   7.468   2.410
   26    H    GLY   4           H        GLY   4   4.379   1.328   6.506
   27   1HA   GLY   4          2HA       GLY   4   5.170  -1.520   6.583
   28   2HA   GLY   4          1HA       GLY   4   4.392  -0.628   7.890
   29    H    PHE   5           H        PHE   5   3.336  -3.057   7.389
   30    HA   PHE   5           HA       PHE   5   1.196  -2.997   5.398
   31   1HB   PHE   5          2HB       PHE   5   2.375  -5.048   6.085
   32   2HB   PHE   5          1HB       PHE   5   1.813  -4.829   7.741
   33    HD1  PHE   5           HD1      PHE   5   0.571  -5.241   4.232
   34    HD2  PHE   5           HD2      PHE   5  -0.254  -5.709   8.422
   35    HE1  PHE   5           HE1      PHE   5  -1.530  -6.440   3.686
   36    HE2  PHE   5           HE2      PHE   5  -2.354  -6.906   7.876
   37    HZ   PHE   5           HZ       PHE   5  -2.992  -7.272   5.508
   38    H    GLY   6           H        GLY   6  -0.950  -2.441   5.742
   39   1HA   GLY   6          2HA       GLY   6  -2.919  -1.896   6.937
   40   2HA   GLY   6          1HA       GLY   6  -2.059  -2.213   8.443
   41    H    LYS   7           H        LYS   7  -0.463  -0.092   6.213
   42    HA   LYS   7           HA       LYS   7  -1.100   2.215   8.009
   43   1HB   LYS   7          2HB       LYS   7   1.276   1.090   6.899
   44   2HB   LYS   7          1HB       LYS   7   1.062   2.681   6.170
   45   1HG   LYS   7          2HG       LYS   7   0.808   2.237   9.149
   46   2HG   LYS   7          1HG       LYS   7   2.354   2.608   8.386
   47   1HD   LYS   7          2HD       LYS   7  -0.087   4.324   7.914
   48   2HD   LYS   7          1HD       LYS   7   0.982   4.599   9.290
   49   1HE   LYS   7          2HE       LYS   7   2.471   4.263   6.785
   50   2HE   LYS   7          1HE       LYS   7   1.361   5.646   6.743
   51   1HZ   LYS   7          1HZ       LYS   7   3.280   5.046   8.936
   52   2HZ   LYS   7          2HZ       LYS   7   2.219   6.372   8.878
   53   3HZ   LYS   7          3HZ       LYS   7   3.489   6.247   7.757
   54    H    SER   8           H        SER   8  -2.218   3.931   7.165
   55    HA   SER   8           HA       SER   8  -3.576   3.851   4.688
   56   1HB   SER   8          2HB       SER   8  -3.970   6.263   5.168
   57   2HB   SER   8          1HB       SER   8  -4.183   5.263   6.600
   58    HG   SER   8           HG       SER   8  -2.563   6.261   7.492
   59    H    CYS   9           H        CYS   9  -2.830   4.097   2.631
   60    HA   CYS   9           HA       CYS   9  -0.442   5.841   2.151
   61   1HB   CYS   9          2HB       CYS   9   0.496   4.099   0.728
   62   2HB   CYS   9          1HB       CYS   9   0.134   3.394   2.302
   63    H    VAL  10           H        VAL  10  -0.232   6.018  -0.428
   64    HA   VAL  10           HA       VAL  10  -2.951   6.760  -1.430
   65    HB   VAL  10           HB       VAL  10  -0.132   7.647  -2.125
   66   1HG1  VAL  10          1HG1      VAL  10  -1.629   9.460  -3.375
   67   2HG1  VAL  10          2HG1      VAL  10  -2.774   8.121  -3.450
   68   3HG1  VAL  10          3HG1      VAL  10  -1.173   7.953  -4.171
   69   1HG2  VAL  10          1HG2      VAL  10  -2.424   8.800  -0.548
   70   2HG2  VAL  10          2HG2      VAL  10  -1.264   9.877  -1.327
   71   3HG2  VAL  10          3HG2      VAL  10  -0.716   8.714  -0.119
   72    HA   PRO  11           HA       PRO  11  -2.271   3.213  -4.131
   73   1HB   PRO  11          2HB       PRO  11  -4.810   3.190  -5.155
   74   2HB   PRO  11          1HB       PRO  11  -4.399   2.494  -3.575
   75   1HG   PRO  11          2HG       PRO  11  -5.662   5.110  -4.220
   76   2HG   PRO  11          1HG       PRO  11  -6.003   3.987  -2.894
   77   1HD   PRO  11          2HD       PRO  11  -4.531   6.265  -2.598
   78   2HD   PRO  11          1HD       PRO  11  -4.327   4.823  -1.580
   79    H    GLY  12           H        GLY  12  -1.914   3.079  -6.398
   80   1HA   GLY  12          2HA       GLY  12  -2.413   3.981  -8.680
   81   2HA   GLY  12          1HA       GLY  12  -2.421   5.590  -7.954
   82    H    LYS  13           H        LYS  13  -0.208   5.747  -6.466
   83    HA   LYS  13           HA       LYS  13   1.976   5.598  -8.459
   84   1HB   LYS  13          2HB       LYS  13   1.337   7.016  -5.918
   85   2HB   LYS  13          1HB       LYS  13   3.048   6.737  -6.243
   86   1HG   LYS  13          2HG       LYS  13   2.464   7.644  -8.636
   87   2HG   LYS  13          1HG       LYS  13   1.059   8.341  -7.829
   88   1HD   LYS  13          2HD       LYS  13   2.305   9.929  -6.805
   89   2HD   LYS  13          1HD       LYS  13   3.550   8.768  -6.342
   90   1HE   LYS  13          2HE       LYS  13   4.224   8.818  -8.863
   91   2HE   LYS  13          1HE       LYS  13   3.302  10.333  -8.911
   92   1HZ   LYS  13          1HZ       LYS  13   5.502   9.676  -7.022
   93   2HZ   LYS  13          2HZ       LYS  13   4.572  11.097  -6.974
   94   3HZ   LYS  13          3HZ       LYS  13   5.584  10.786  -8.301
   95    H    ASN  14           H        ASN  14   0.861   3.809  -5.692
   96    HA   ASN  14           HA       ASN  14   1.747   1.951  -4.555
   97   1HB   ASN  14          2HB       ASN  14   2.164   1.617  -7.208
   98   2HB   ASN  14          1HB       ASN  14   3.837   1.603  -6.652
   99   1HD2  ASN  14          1HD2      ASN  14   1.539  -0.555  -7.429
  100   2HD2  ASN  14          2HD2      ASN  14   1.834  -1.768  -6.278
  101    H    GLU  15           H        GLU  15   2.614   3.977  -3.207
  102    HA   GLU  15           HA       GLU  15   5.567   4.233  -3.272
  103   1HB   GLU  15          2HB       GLU  15   3.243   5.557  -1.895
  104   2HB   GLU  15          1HB       GLU  15   4.878   5.814  -1.288
  105   1HG   GLU  15          2HG       GLU  15   4.427   6.113  -4.229
  106   2HG   GLU  15          1HG       GLU  15   3.830   7.392  -3.171
  107    H    CYS  16           H        CYS  16   3.627   1.883  -2.068
  108    HA   CYS  16           HA       CYS  16   4.570   1.702   0.692
  109   1HB   CYS  16          2HB       CYS  16   2.726   0.377  -1.141
  110   2HB   CYS  16          1HB       CYS  16   3.623  -0.792  -0.174
  111    H    CYS  17           H        CYS  17   5.635  -0.556   1.292
  112    HA   CYS  17           HA       CYS  17   8.243  -0.658   0.029
  113   1HB   CYS  17          2HB       CYS  17   7.049  -1.439   2.421
  114   2HB   CYS  17          1HB       CYS  17   7.448  -2.971   1.644
  115    H    SER  18           H        SER  18   9.153  -2.594  -1.037
  116    HA   SER  18           HA       SER  18   7.622  -3.577  -3.222
  117   1HB   SER  18          2HB       SER  18  10.207  -4.201  -1.871
  118   2HB   SER  18          1HB       SER  18   9.587  -5.405  -2.994
  119    HG   SER  18           HG       SER  18  10.324  -2.725  -3.447
  120    H    GLY  19           H        GLY  19   6.295  -5.366  -3.456
  121   1HA   GLY  19          2HA       GLY  19   5.580  -7.621  -2.883
  122   2HA   GLY  19          1HA       GLY  19   6.193  -7.367  -1.250
  123    H    TYR  20           H        TYR  20   4.950  -4.658  -1.065
  124    HA   TYR  20           HA       TYR  20   2.123  -5.558  -0.639
  125   1HB   TYR  20          2HB       TYR  20   3.892  -3.517   0.743
  126   2HB   TYR  20          1HB       TYR  20   2.182  -3.736   1.115
  127    HD1  TYR  20           HD1      TYR  20   1.379  -5.756   2.240
  128    HD2  TYR  20           HD2      TYR  20   5.538  -5.235   1.301
  129    HE1  TYR  20           HE1      TYR  20   1.955  -7.636   3.749
  130    HE2  TYR  20           HE2      TYR  20   6.114  -7.114   2.811
  131    HH   TYR  20           HH       TYR  20   4.589  -8.176   5.087
  132    H    ALA  21           H        ALA  21   0.469  -4.331  -1.536
  133    HA   ALA  21           HA       ALA  21   1.247  -1.858  -3.058
  134   1HB   ALA  21          1HB       ALA  21   0.692  -3.717  -4.525
  135   2HB   ALA  21          2HB       ALA  21  -0.640  -2.563  -4.576
  136   3HB   ALA  21          3HB       ALA  21  -0.788  -4.040  -3.622
  137    H    CYS  22           H        CYS  22  -0.616  -0.292  -3.293
  138    HA   CYS  22           HA       CYS  22  -2.000   0.047  -0.710
  139   1HB   CYS  22          2HB       CYS  22  -1.578   1.632  -3.239
  140   2HB   CYS  22          1HB       CYS  22  -2.762   2.168  -2.046
  141    H    ASN  23           H        ASN  23  -4.143  -0.453  -0.368
  142    HA   ASN  23           HA       ASN  23  -5.739  -1.480  -2.673
  143   1HB   ASN  23          2HB       ASN  23  -5.213  -2.453  -0.167
  144   2HB   ASN  23          1HB       ASN  23  -6.762  -1.654   0.100
  145   1HD2  ASN  23          1HD2      ASN  23  -5.176  -4.019  -2.114
  146   2HD2  ASN  23          2HD2      ASN  23  -6.603  -4.871  -2.461
  147    H    SER  24           H        SER  24  -8.252  -1.035  -2.199
  148    HA   SER  24           HA       SER  24  -8.536   1.929  -1.837
  149   1HB   SER  24          2HB       SER  24 -10.041  -0.147  -3.449
  150   2HB   SER  24          1HB       SER  24 -10.598   1.515  -3.268
  151    HG   SER  24           HG       SER  24  -8.952   2.209  -4.458
  152    H    ARG  25           H        ARG  25  -9.874  -1.231  -0.904
  153    HA   ARG  25           HA       ARG  25 -12.240  -0.413   0.437
  154   1HB   ARG  25          2HB       ARG  25 -11.147  -2.745  -0.121
  155   2HB   ARG  25          1HB       ARG  25 -10.422  -2.579   1.477
  156   1HG   ARG  25          2HG       ARG  25 -12.412  -3.701   1.971
  157   2HG   ARG  25          1HG       ARG  25 -12.866  -2.019   2.241
  158   1HD   ARG  25          2HD       ARG  25 -14.607  -3.088   0.894
  159   2HD   ARG  25          1HD       ARG  25 -13.725  -1.949  -0.140
  160    HE   ARG  25           HE       ARG  25 -12.938  -3.799  -1.372
  161   1HH1  ARG  25          2HH1      ARG  25 -15.234  -5.318   0.122
  162   2HH1  ARG  25          1HH1      ARG  25 -14.378  -6.748   0.593
  163   1HH2  ARG  25          1HH2      ARG  25 -11.240  -5.400  -0.036
  164   2HH2  ARG  25          2HH2      ARG  25 -12.113  -6.795   0.503
  165    H    ASP  26           H        ASP  26  -8.948  -0.874   1.780
  166    HA   ASP  26           HA       ASP  26  -9.762   0.672   4.210
  167   1HB   ASP  26          2HB       ASP  26  -7.645  -1.374   3.544
  168   2HB   ASP  26          1HB       ASP  26  -7.534  -0.395   5.006
  169    H    LYS  27           H        LYS  27  -8.091   1.067   1.273
  170    HA   LYS  27           HA       LYS  27  -6.612   2.710   0.471
  171   1HB   LYS  27          2HB       LYS  27  -8.358   3.834   2.520
  172   2HB   LYS  27          1HB       LYS  27  -6.835   4.715   2.418
  173   1HG   LYS  27          2HG       LYS  27  -7.619   4.203  -0.251
  174   2HG   LYS  27          1HG       LYS  27  -9.069   4.751   0.589
  175   1HD   LYS  27          2HD       LYS  27  -7.678   6.666   1.514
  176   2HD   LYS  27          1HD       LYS  27  -6.405   6.177   0.396
  177   1HE   LYS  27          2HE       LYS  27  -8.872   6.311  -1.070
  178   2HE   LYS  27          1HE       LYS  27  -8.664   7.825  -0.170
  179   1HZ   LYS  27          1HZ       LYS  27  -7.469   7.933  -2.260
  180   2HZ   LYS  27          2HZ       LYS  27  -6.616   6.514  -1.883
  181   3HZ   LYS  27          3HZ       LYS  27  -6.369   7.926  -0.970
  182    H    TRP  28           H        TRP  28  -5.462   0.659   2.230
  183    HA   TRP  28           HA       TRP  28  -3.163   2.247   3.298
  184   1HB   TRP  28          2HB       TRP  28  -3.112   0.769   5.255
  185   2HB   TRP  28          1HB       TRP  28  -4.680   1.547   5.119
  186    HD1  TRP  28           HD1      TRP  28  -4.595  -1.128   2.600
  187    HE1  TRP  28           HE1      TRP  28  -5.789  -3.238   3.465
  188    HE3  TRP  28           HE3      TRP  28  -4.930   0.011   7.568
  189    HZ2  TRP  28           HZ2      TRP  28  -6.757  -4.308   5.929
  190    HZ3  TRP  28           HZ3      TRP  28  -5.992  -1.572   9.150
  191    HH2  TRP  28           HH2      TRP  28  -6.906  -3.729   8.338
  192    H    CYS  29           H        CYS  29  -1.458   0.273   4.028
  193    HA   CYS  29           HA       CYS  29  -0.595  -0.805   1.451
  194   1HB   CYS  29          2HB       CYS  29   0.665   0.123   3.629
  195   2HB   CYS  29          1HB       CYS  29   0.651  -1.589   4.051
  196    H    LYS  30           H        LYS  30  -1.063  -2.802   0.685
  197    HA   LYS  30           HA       LYS  30  -1.987  -4.927   2.598
  198   1HB   LYS  30          2HB       LYS  30  -3.146  -3.760   0.126
  199   2HB   LYS  30          1HB       LYS  30  -3.216  -5.519   0.232
  200   1HG   LYS  30          2HG       LYS  30  -4.009  -4.905   2.736
  201   2HG   LYS  30          1HG       LYS  30  -4.585  -3.467   1.892
  202   1HD   LYS  30          2HD       LYS  30  -6.042  -4.680   0.535
  203   2HD   LYS  30          1HD       LYS  30  -5.132  -6.178   0.723
  204   1HE   LYS  30          2HE       LYS  30  -5.831  -6.167   3.176
  205   2HE   LYS  30          1HE       LYS  30  -6.956  -4.859   2.756
  206   1HZ   LYS  30          1HZ       LYS  30  -6.813  -7.507   1.406
  207   2HZ   LYS  30          2HZ       LYS  30  -7.889  -6.249   1.019
  208   3HZ   LYS  30          3HZ       LYS  30  -8.006  -7.041   2.517
  209    H    VAL  31           H        VAL  31  -1.653  -7.172   1.618
  210    HA   VAL  31           HA       VAL  31   1.056  -7.372   0.529
  211    HB   VAL  31           HB       VAL  31  -0.024  -8.875   2.259
  212   1HG1  VAL  31          1HG1      VAL  31  -1.726 -10.351   1.724
  213   2HG1  VAL  31          2HG1      VAL  31  -1.307 -10.380   0.011
  214   3HG1  VAL  31          3HG1      VAL  31  -2.164  -8.995   0.688
  215   1HG2  VAL  31          1HG2      VAL  31   2.000  -9.473   0.829
  216   2HG2  VAL  31          2HG2      VAL  31   0.895 -10.388  -0.197
  217   3HG2  VAL  31          3HG2      VAL  31   1.108 -10.842   1.494
  218    H    LEU  32           H        LEU  32   1.627  -8.231  -1.531
  219    HA   LEU  32           HA       LEU  32  -0.570  -8.636  -3.517
  220   1HB   LEU  32          2HB       LEU  32   0.204  -6.256  -3.516
  221   2HB   LEU  32          1HB       LEU  32   1.840  -6.816  -3.862
  222    HG   LEU  32           HG       LEU  32   0.045  -8.053  -5.727
  223   1HD1  LEU  32          1HD1      LEU  32  -0.054  -5.115  -6.183
  224   2HD1  LEU  32          2HD1      LEU  32  -1.142  -5.751  -4.949
  225   3HD1  LEU  32          3HD1      LEU  32  -1.230  -6.361  -6.601
  226   1HD2  LEU  32          1HD2      LEU  32   2.267  -6.002  -5.906
  227   2HD2  LEU  32          2HD2      LEU  32   1.474  -6.670  -7.333
  228   3HD2  LEU  32          3HD2      LEU  32   2.363  -7.731  -6.241
  229    H    LEU  33           H        LEU  33  -0.143 -10.712  -4.198
  230    HA   LEU  33           HA       LEU  33   2.688 -11.605  -4.475
  231   1HB   LEU  33          1HB       LEU  33   1.721 -13.838  -4.461
  232   2HB   LEU  33          2HB       LEU  33   1.003 -12.907  -3.148
  233    HG   LEU  33           HG       LEU  33  -0.676 -12.356  -5.279
  234   1HD1  LEU  33          1HD1      LEU  33   0.769 -14.730  -5.928
  235   2HD1  LEU  33          2HD1      LEU  33  -0.883 -15.202  -5.529
  236   3HD1  LEU  33          3HD1      LEU  33  -0.587 -14.013  -6.797
  237   1HD2  LEU  33          1HD2      LEU  33  -0.733 -13.748  -2.751
  238   2HD2  LEU  33          2HD2      LEU  33  -2.043 -12.899  -3.571
  239   3HD2  LEU  33          3HD2      LEU  33  -1.744 -14.602  -3.916
  240   1HN   NH2  34          1HN       NH2  34   2.880 -11.053  -7.790
  241   2HN   NH2  34          2HN       NH2  34   3.396 -10.775  -6.112
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1   9.517   8.373   4.864
    2   2H    GLU   1          2H        GLU   1   8.933   9.968   4.904
    3   3H    GLU   1          3H        GLU   1   9.662   9.361   3.493
    4    HA   GLU   1           HA       GLU   1   6.983   8.786   4.597
    5   1HB   GLU   1          2HB       GLU   1   8.305   9.860   2.148
    6   2HB   GLU   1          1HB       GLU   1   6.810   8.955   1.907
    7   1HG   GLU   1          2HG       GLU   1   5.585  10.692   2.643
    8   2HG   GLU   1          1HG       GLU   1   6.500  10.743   4.150
    9    H    CYS   2           H        CYS   2   7.170   6.577   5.216
   10    HA   CYS   2           HA       CYS   2   7.334   4.657   2.957
   11   1HB   CYS   2          2HB       CYS   2   9.603   4.640   3.604
   12   2HB   CYS   2          1HB       CYS   2   9.211   4.854   5.309
   13    H    LYS   3           H        LYS   3   5.608   3.299   3.206
   14    HA   LYS   3           HA       LYS   3   4.505   2.866   5.963
   15   1HB   LYS   3          2HB       LYS   3   3.398   3.597   3.406
   16   2HB   LYS   3          1HB       LYS   3   2.704   2.056   3.909
   17   1HG   LYS   3          2HG       LYS   3   1.555   2.994   5.627
   18   2HG   LYS   3          1HG       LYS   3   2.901   4.040   6.077
   19   1HD   LYS   3          2HD       LYS   3   1.888   4.880   3.523
   20   2HD   LYS   3          1HD       LYS   3   0.545   4.759   4.661
   21   1HE   LYS   3          2HE       LYS   3   1.888   6.120   6.302
   22   2HE   LYS   3          1HE       LYS   3   3.101   6.361   5.029
   23   1HZ   LYS   3          1HZ       LYS   3   0.216   7.071   4.876
   24   2HZ   LYS   3          2HZ       LYS   3   1.311   7.195   3.582
   25   3HZ   LYS   3          3HZ       LYS   3   1.514   8.159   4.965
   26    H    GLY   4           H        GLY   4   4.393   0.748   6.717
   27   1HA   GLY   4          2HA       GLY   4   5.838  -1.321   5.278
   28   2HA   GLY   4          1HA       GLY   4   5.003  -1.527   6.817
   29    H    PHE   5           H        PHE   5   3.836  -3.389   6.355
   30    HA   PHE   5           HA       PHE   5   2.019  -3.324   3.971
   31   1HB   PHE   5          2HB       PHE   5   3.563  -5.156   3.914
   32   2HB   PHE   5          1HB       PHE   5   3.300  -5.519   5.618
   33    HD1  PHE   5           HD1      PHE   5   1.431  -5.289   2.369
   34    HD2  PHE   5           HD2      PHE   5   1.765  -7.174   6.214
   35    HE1  PHE   5           HE1      PHE   5  -0.396  -6.855   1.764
   36    HE2  PHE   5           HE2      PHE   5  -0.059  -8.738   5.607
   37    HZ   PHE   5           HZ       PHE   5  -1.139  -8.578   3.382
   38    H    GLY   6           H        GLY   6  -0.182  -3.383   4.327
   39   1HA   GLY   6          2HA       GLY   6  -2.215  -3.785   5.485
   40   2HA   GLY   6          1HA       GLY   6  -1.285  -4.331   6.879
   41    H    LYS   7           H        LYS   7  -0.526  -1.260   5.371
   42    HA   LYS   7           HA       LYS   7  -1.559   0.132   7.815
   43   1HB   LYS   7          2HB       LYS   7   0.951   0.029   6.692
   44   2HB   LYS   7          1HB       LYS   7   0.308   1.511   5.983
   45   1HG   LYS   7          2HG       LYS   7  -0.014   1.008   8.930
   46   2HG   LYS   7          1HG       LYS   7   1.518   1.622   8.309
   47   1HD   LYS   7          2HD       LYS   7  -0.405   3.186   7.022
   48   2HD   LYS   7          1HD       LYS   7  -1.021   3.014   8.665
   49   1HE   LYS   7          2HE       LYS   7   1.886   3.688   8.244
   50   2HE   LYS   7          1HE       LYS   7   0.659   4.967   8.157
   51   1HZ   LYS   7          1HZ       LYS   7  -0.183   4.307  10.299
   52   2HZ   LYS   7          2HZ       LYS   7   1.483   4.609  10.437
   53   3HZ   LYS   7          3HZ       LYS   7   0.910   3.011  10.385
   54    H    SER   8           H        SER   8  -3.015   1.825   7.549
   55    HA   SER   8           HA       SER   8  -4.764   2.036   5.399
   56   1HB   SER   8          2HB       SER   8  -3.797   3.868   7.558
   57   2HB   SER   8          1HB       SER   8  -4.835   4.549   6.310
   58    HG   SER   8           HG       SER   8  -6.346   3.732   7.547
   59    H    CYS   9           H        CYS   9  -4.500   2.659   3.302
   60    HA   CYS   9           HA       CYS   9  -2.651   4.868   2.605
   61   1HB   CYS   9          2HB       CYS   9  -1.192   2.939   2.593
   62   2HB   CYS   9          1HB       CYS   9  -2.377   1.985   1.702
   63    H    VAL  10           H        VAL  10  -3.285   5.895   0.682
   64    HA   VAL  10           HA       VAL  10  -5.900   5.063  -0.446
   65    HB   VAL  10           HB       VAL  10  -4.130   7.512  -0.763
   66   1HG1  VAL  10          1HG1      VAL  10  -6.191   8.517  -1.806
   67   2HG1  VAL  10          2HG1      VAL  10  -6.897   6.901  -1.844
   68   3HG1  VAL  10          3HG1      VAL  10  -5.446   7.252  -2.782
   69   1HG2  VAL  10          1HG2      VAL  10  -6.742   7.057   0.720
   70   2HG2  VAL  10          2HG2      VAL  10  -5.886   8.595   0.604
   71   3HG2  VAL  10          3HG2      VAL  10  -5.156   7.243   1.469
   72    HA   PRO  11           HA       PRO  11  -3.604   3.152  -3.791
   73   1HB   PRO  11          2HB       PRO  11  -5.801   2.289  -5.184
   74   2HB   PRO  11          1HB       PRO  11  -5.164   1.449  -3.755
   75   1HG   PRO  11          2HG       PRO  11  -7.473   3.318  -3.979
   76   2HG   PRO  11          1HG       PRO  11  -7.310   1.834  -3.025
   77   1HD   PRO  11          2HD       PRO  11  -7.073   4.319  -1.953
   78   2HD   PRO  11          1HD       PRO  11  -6.222   2.898  -1.309
   79    H    GLY  12           H        GLY  12  -2.900   4.079  -5.692
   80   1HA   GLY  12          2HA       GLY  12  -4.028   5.184  -7.834
   81   2HA   GLY  12          1HA       GLY  12  -4.341   6.480  -6.677
   82    H    LYS  13           H        LYS  13  -2.104   6.751  -5.230
   83    HA   LYS  13           HA       LYS  13  -0.028   7.413  -7.281
   84   1HB   LYS  13          2HB       LYS  13  -0.927   8.538  -4.648
   85   2HB   LYS  13          1HB       LYS  13   0.725   8.844  -5.184
   86   1HG   LYS  13          2HG       LYS  13  -1.077   9.252  -7.391
   87   2HG   LYS  13          1HG       LYS  13  -1.634  10.188  -6.005
   88   1HD   LYS  13          2HD       LYS  13   0.922  10.828  -5.800
   89   2HD   LYS  13          1HD       LYS  13   0.952  10.389  -7.509
   90   1HE   LYS  13          2HE       LYS  13  -0.967  11.963  -7.901
   91   2HE   LYS  13          1HE       LYS  13  -0.830  12.480  -6.208
   92   1HZ   LYS  13          1HZ       LYS  13   1.327  12.579  -8.254
   93   2HZ   LYS  13          2HZ       LYS  13   1.523  12.981  -6.615
   94   3HZ   LYS  13          3HZ       LYS  13   0.505  13.913  -7.605
   95    H    ASN  14           H        ASN  14  -0.621   4.941  -5.147
   96    HA   ASN  14           HA       ASN  14   0.745   3.325  -4.109
   97   1HB   ASN  14          2HB       ASN  14   1.746   3.930  -6.558
   98   2HB   ASN  14          1HB       ASN  14   3.134   4.354  -5.560
   99   1HD2  ASN  14          1HD2      ASN  14   1.577   1.746  -7.093
  100   2HD2  ASN  14          2HD2      ASN  14   2.366   0.484  -6.278
  101    H    GLU  15           H        GLU  15   0.570   4.538  -2.036
  102    HA   GLU  15           HA       GLU  15   2.942   6.217  -1.341
  103   1HB   GLU  15          2HB       GLU  15   0.199   5.757  -0.149
  104   2HB   GLU  15          1HB       GLU  15   1.447   6.665   0.703
  105   1HG   GLU  15          2HG       GLU  15   0.820   8.489  -0.458
  106   2HG   GLU  15          1HG       GLU  15   1.430   7.703  -1.915
  107    H    CYS  16           H        CYS  16   3.011   3.186  -1.530
  108    HA   CYS  16           HA       CYS  16   3.448   2.442   1.331
  109   1HB   CYS  16          2HB       CYS  16   3.209   0.904  -1.273
  110   2HB   CYS  16          1HB       CYS  16   3.610   0.133   0.261
  111    H    CYS  17           H        CYS  17   5.487   1.165   1.783
  112    HA   CYS  17           HA       CYS  17   7.834   2.564   0.823
  113   1HB   CYS  17          2HB       CYS  17   7.154   1.077   3.012
  114   2HB   CYS  17          1HB       CYS  17   8.147  -0.080   2.125
  115    H    SER  18           H        SER  18   9.769   1.249  -0.051
  116    HA   SER  18           HA       SER  18   9.235   0.218  -2.635
  117   1HB   SER  18          2HB       SER  18  11.525   0.098  -0.687
  118   2HB   SER  18          1HB       SER  18  11.638  -0.752  -2.224
  119    HG   SER  18           HG       SER  18  11.229   1.220  -3.271
  120    H    GLY  19           H        GLY  19   8.514  -1.756  -3.316
  121   1HA   GLY  19          2HA       GLY  19   8.709  -4.217  -3.229
  122   2HA   GLY  19          1HA       GLY  19   8.803  -4.091  -1.473
  123    H    TYR  20           H        TYR  20   6.687  -2.282  -1.006
  124    HA   TYR  20           HA       TYR  20   4.344  -4.009  -1.714
  125   1HB   TYR  20          2HB       TYR  20   4.643  -1.906   0.459
  126   2HB   TYR  20          1HB       TYR  20   3.376  -3.125   0.334
  127    HD1  TYR  20           HD1      TYR  20   5.757  -2.457   2.473
  128    HD2  TYR  20           HD2      TYR  20   4.981  -5.527  -0.432
  129    HE1  TYR  20           HE1      TYR  20   7.159  -4.039   3.767
  130    HE2  TYR  20           HE2      TYR  20   6.382  -7.107   0.864
  131    HH   TYR  20           HH       TYR  20   8.552  -6.465   2.811
  132    H    ALA  21           H        ALA  21   2.403  -2.991  -2.471
  133    HA   ALA  21           HA       ALA  21   2.702  -0.144  -3.376
  134   1HB   ALA  21          1HB       ALA  21   3.027  -1.510  -5.292
  135   2HB   ALA  21          2HB       ALA  21   1.334  -1.024  -5.385
  136   3HB   ALA  21          3HB       ALA  21   1.759  -2.634  -4.803
  137    H    CYS  22           H        CYS  22   0.739   1.084  -3.381
  138    HA   CYS  22           HA       CYS  22  -1.251   0.292  -1.413
  139   1HB   CYS  22          2HB       CYS  22  -0.296   2.628  -2.223
  140   2HB   CYS  22          1HB       CYS  22  -1.623   2.528  -3.381
  141    H    ASN  23           H        ASN  23  -3.133  -0.806  -1.785
  142    HA   ASN  23           HA       ASN  23  -4.139  -1.014  -4.609
  143   1HB   ASN  23          2HB       ASN  23  -3.570  -3.042  -2.473
  144   2HB   ASN  23          1HB       ASN  23  -4.903  -3.353  -3.579
  145   1HD2  ASN  23          1HD2      ASN  23  -2.643  -5.045  -3.655
  146   2HD2  ASN  23          2HD2      ASN  23  -1.784  -4.775  -5.094
  147    H    SER  24           H        SER  24  -6.515  -1.598  -4.660
  148    HA   SER  24           HA       SER  24  -7.980  -0.069  -2.569
  149   1HB   SER  24          2HB       SER  24  -8.112   0.141  -5.180
  150   2HB   SER  24          1HB       SER  24  -9.153  -1.275  -5.064
  151    HG   SER  24           HG       SER  24  -9.720   1.292  -4.547
  152    H    ARG  25           H        ARG  25  -7.007  -3.180  -2.713
  153    HA   ARG  25           HA       ARG  25  -9.429  -4.720  -2.427
  154   1HB   ARG  25          2HB       ARG  25  -6.780  -5.238  -2.725
  155   2HB   ARG  25          1HB       ARG  25  -6.945  -5.516  -0.991
  156   1HG   ARG  25          2HG       ARG  25  -7.931  -7.499  -1.368
  157   2HG   ARG  25          1HG       ARG  25  -9.176  -6.723  -2.347
  158   1HD   ARG  25          2HD       ARG  25  -8.080  -7.169  -4.340
  159   2HD   ARG  25          1HD       ARG  25  -6.475  -7.127  -3.585
  160    HE   ARG  25           HE       ARG  25  -7.052  -9.329  -2.521
  161   1HH1  ARG  25          2HH1      ARG  25  -7.036  -9.417  -5.634
  162   2HH1  ARG  25          1HH1      ARG  25  -8.412 -10.430  -5.916
  163   1HH2  ARG  25          1HH2      ARG  25  -9.639 -10.117  -2.680
  164   2HH2  ARG  25          2HH2      ARG  25  -9.889 -10.827  -4.240
  165    H    ASP  26           H        ASP  26  -7.202  -3.231  -0.058
  166    HA   ASP  26           HA       ASP  26  -9.406  -3.325   1.972
  167   1HB   ASP  26          2HB       ASP  26  -6.914  -4.750   1.899
  168   2HB   ASP  26          1HB       ASP  26  -6.852  -3.592   3.226
  169    H    LYS  27           H        LYS  27  -7.984  -1.208   0.139
  170    HA   LYS  27           HA       LYS  27  -7.292   1.035   0.314
  171   1HB   LYS  27          2HB       LYS  27  -9.557   0.717   1.640
  172   2HB   LYS  27          1HB       LYS  27  -8.544   1.046   3.045
  173   1HG   LYS  27          2HG       LYS  27  -7.705   3.108   1.802
  174   2HG   LYS  27          1HG       LYS  27  -9.002   2.826   0.641
  175   1HD   LYS  27          2HD       LYS  27 -10.192   4.163   2.062
  176   2HD   LYS  27          1HD       LYS  27 -10.404   2.658   2.958
  177   1HE   LYS  27          2HE       LYS  27  -8.360   3.209   4.300
  178   2HE   LYS  27          1HE       LYS  27  -8.276   4.770   3.462
  179   1HZ   LYS  27          1HZ       LYS  27 -10.886   4.040   4.524
  180   2HZ   LYS  27          2HZ       LYS  27 -10.099   5.546   4.511
  181   3HZ   LYS  27          3HZ       LYS  27  -9.700   4.386   5.685
  182    H    TRP  28           H        TRP  28  -5.298  -0.842   1.148
  183    HA   TRP  28           HA       TRP  28  -3.765   0.874   3.013
  184   1HB   TRP  28          2HB       TRP  28  -3.346  -0.963   4.558
  185   2HB   TRP  28          1HB       TRP  28  -5.080  -0.743   4.382
  186    HD1  TRP  28           HD1      TRP  28  -4.038  -2.423   1.322
  187    HE1  TRP  28           HE1      TRP  28  -4.373  -4.970   1.483
  188    HE3  TRP  28           HE3      TRP  28  -4.727  -2.900   6.357
  189    HZ2  TRP  28           HZ2      TRP  28  -4.874  -6.952   3.482
  190    HZ3  TRP  28           HZ3      TRP  28  -5.135  -5.129   7.362
  191    HH2  TRP  28           HH2      TRP  28  -5.210  -7.154   5.932
  192    H    CYS  29           H        CYS  29  -1.564  -0.703   3.425
  193    HA   CYS  29           HA       CYS  29  -0.345  -0.758   0.753
  194   1HB   CYS  29          2HB       CYS  29   0.509  -1.031   3.614
  195   2HB   CYS  29          1HB       CYS  29   1.599  -1.615   2.358
  196    H    LYS  30           H        LYS  30  -0.276  -2.560  -0.507
  197    HA   LYS  30           HA       LYS  30  -0.612  -5.238   0.807
  198   1HB   LYS  30          2HB       LYS  30  -2.268  -3.938  -0.978
  199   2HB   LYS  30          1HB       LYS  30  -1.299  -4.954  -2.046
  200   1HG   LYS  30          2HG       LYS  30  -2.124  -6.406   0.341
  201   2HG   LYS  30          1HG       LYS  30  -3.514  -5.771  -0.541
  202   1HD   LYS  30          2HD       LYS  30  -2.105  -6.705  -2.628
  203   2HD   LYS  30          1HD       LYS  30  -1.496  -7.797  -1.385
  204   1HE   LYS  30          2HE       LYS  30  -4.424  -7.439  -1.291
  205   2HE   LYS  30          1HE       LYS  30  -3.837  -8.198  -2.783
  206   1HZ   LYS  30          1HZ       LYS  30  -2.422  -9.641  -1.342
  207   2HZ   LYS  30          2HZ       LYS  30  -4.090  -9.914  -1.173
  208   3HZ   LYS  30          3HZ       LYS  30  -3.247  -9.029   0.008
  209    H    VAL  31           H        VAL  31   0.945  -6.762   0.306
  210    HA   VAL  31           HA       VAL  31   3.417  -5.970  -0.911
  211    HB   VAL  31           HB       VAL  31   3.127  -7.722   0.825
  212   1HG1  VAL  31          1HG1      VAL  31   1.035  -8.617  -0.663
  213   2HG1  VAL  31          2HG1      VAL  31   1.864  -9.606   0.537
  214   3HG1  VAL  31          3HG1      VAL  31   2.285  -9.753  -1.168
  215   1HG2  VAL  31          1HG2      VAL  31   4.858  -9.091   0.038
  216   2HG2  VAL  31          2HG2      VAL  31   5.028  -7.658  -0.976
  217   3HG2  VAL  31          3HG2      VAL  31   4.234  -9.099  -1.612
  218    H    LEU  32           H        LEU  32   4.161  -6.186  -2.996
  219    HA   LEU  32           HA       LEU  32   2.236  -6.736  -5.129
  220   1HB   LEU  32          2HB       LEU  32   5.162  -5.993  -4.941
  221   2HB   LEU  32          1HB       LEU  32   4.395  -6.321  -6.495
  222    HG   LEU  32           HG       LEU  32   3.115  -4.395  -4.573
  223   1HD1  LEU  32          1HD1      LEU  32   4.636  -2.980  -6.539
  224   2HD1  LEU  32          2HD1      LEU  32   5.726  -4.077  -5.691
  225   3HD1  LEU  32          3HD1      LEU  32   4.780  -2.898  -4.783
  226   1HD2  LEU  32          1HD2      LEU  32   3.021  -3.653  -7.336
  227   2HD2  LEU  32          2HD2      LEU  32   1.693  -4.190  -6.309
  228   3HD2  LEU  32          3HD2      LEU  32   2.634  -5.370  -7.220
  229    H    LEU  33           H        LEU  33   2.077  -8.617  -6.339
  230    HA   LEU  33           HA       LEU  33   4.152 -10.734  -5.932
  231   1HB   LEU  33          1HB       LEU  33   2.351 -12.367  -5.598
  232   2HB   LEU  33          2HB       LEU  33   2.206 -11.065  -4.420
  233    HG   LEU  33           HG       LEU  33   0.747 -10.269  -6.731
  234   1HD1  LEU  33          1HD1      LEU  33   0.135 -13.089  -5.795
  235   2HD1  LEU  33          2HD1      LEU  33  -0.931 -12.119  -6.811
  236   3HD1  LEU  33          3HD1      LEU  33   0.653 -12.609  -7.411
  237   1HD2  LEU  33          1HD2      LEU  33  -0.169 -11.274  -4.016
  238   2HD2  LEU  33          2HD2      LEU  33   0.281  -9.613  -4.402
  239   3HD2  LEU  33          3HD2      LEU  33  -1.150 -10.333  -5.140
  240   1HN   NH2  34          1HN       NH2  34   4.348 -10.645  -9.315
  241   2HN   NH2  34          2HN       NH2  34   5.001 -10.253  -7.709
  Start of MODEL   11
    1   1H    GLU   1          1H        GLU   1  -0.164   6.752 -10.363
    2   2H    GLU   1          2H        GLU   1   1.037   7.116 -11.507
    3   3H    GLU   1          3H        GLU   1   1.458   6.868  -9.879
    4    HA   GLU   1           HA       GLU   1   0.359   4.797 -11.719
    5   1HB   GLU   1          2HB       GLU   1   3.084   5.621 -10.737
    6   2HB   GLU   1          1HB       GLU   1   2.783   3.937 -11.164
    7   1HG   GLU   1          2HG       GLU   1   1.721   5.042 -13.340
    8   2HG   GLU   1          1HG       GLU   1   2.815   6.360 -12.917
    9    H    CYS   2           H        CYS   2   0.624   2.602 -10.686
   10    HA   CYS   2           HA       CYS   2  -0.318   2.674  -7.883
   11   1HB   CYS   2          2HB       CYS   2  -0.964   0.408  -8.341
   12   2HB   CYS   2          1HB       CYS   2  -1.292   1.311  -9.817
   13    H    LYS   3           H        LYS   3   0.634   0.678  -6.538
   14    HA   LYS   3           HA       LYS   3   3.621   0.634  -6.831
   15   1HB   LYS   3          2HB       LYS   3   1.870   1.178  -4.419
   16   2HB   LYS   3          1HB       LYS   3   3.575   0.750  -4.268
   17   1HG   LYS   3          2HG       LYS   3   4.120   2.670  -5.805
   18   2HG   LYS   3          1HG       LYS   3   2.423   3.146  -5.724
   19   1HD   LYS   3          2HD       LYS   3   2.835   3.000  -3.114
   20   2HD   LYS   3          1HD       LYS   3   4.519   3.231  -3.584
   21   1HE   LYS   3          2HE       LYS   3   3.980   5.460  -3.529
   22   2HE   LYS   3          1HE       LYS   3   3.251   5.141  -5.115
   23   1HZ   LYS   3          1HZ       LYS   3   1.203   4.465  -3.926
   24   2HZ   LYS   3          2HZ       LYS   3   1.589   6.104  -3.704
   25   3HZ   LYS   3          3HZ       LYS   3   1.903   4.981  -2.470
   26    H    GLY   4           H        GLY   4   4.608  -1.337  -6.168
   27   1HA   GLY   4          2HA       GLY   4   2.823  -3.670  -6.166
   28   2HA   GLY   4          1HA       GLY   4   4.585  -3.714  -6.191
   29    H    PHE   5           H        PHE   5   5.677  -3.976  -4.259
   30    HA   PHE   5           HA       PHE   5   4.072  -3.859  -1.728
   31   1HB   PHE   5          2HB       PHE   5   4.197  -6.163  -2.553
   32   2HB   PHE   5          1HB       PHE   5   5.946  -6.033  -2.724
   33    HD1  PHE   5           HD1      PHE   5   3.180  -5.885  -0.216
   34    HD2  PHE   5           HD2      PHE   5   7.382  -6.474  -0.898
   35    HE1  PHE   5           HE1      PHE   5   3.468  -6.582   2.147
   36    HE2  PHE   5           HE2      PHE   5   7.667  -7.171   1.465
   37    HZ   PHE   5           HZ       PHE   5   5.710  -7.225   2.986
   38    H    GLY   6           H        GLY   6   5.257  -3.142   0.085
   39   1HA   GLY   6          2HA       GLY   6   7.058  -2.241   1.300
   40   2HA   GLY   6          1HA       GLY   6   8.150  -2.956   0.114
   41    H    LYS   7           H        LYS   7   5.519  -0.725  -0.678
   42    HA   LYS   7           HA       LYS   7   7.576   1.273  -1.564
   43   1HB   LYS   7          2HB       LYS   7   5.472  -0.128  -2.905
   44   2HB   LYS   7          1HB       LYS   7   5.032   1.579  -2.855
   45   1HG   LYS   7          2HG       LYS   7   6.353   1.149  -4.861
   46   2HG   LYS   7          1HG       LYS   7   7.288   2.151  -3.750
   47   1HD   LYS   7          2HD       LYS   7   8.748   0.435  -3.205
   48   2HD   LYS   7          1HD       LYS   7   7.563  -0.825  -3.556
   49   1HE   LYS   7          2HE       LYS   7   7.762  -0.232  -6.005
   50   2HE   LYS   7          1HE       LYS   7   9.104   0.845  -5.572
   51   1HZ   LYS   7          1HZ       LYS   7   9.912  -1.375  -6.127
   52   2HZ   LYS   7          2HZ       LYS   7   8.932  -2.052  -4.915
   53   3HZ   LYS   7          3HZ       LYS   7  10.211  -1.015  -4.496
   54    H    SER   8           H        SER   8   7.465   3.207  -0.498
   55    HA   SER   8           HA       SER   8   5.813   3.868   1.647
   56   1HB   SER   8          2HB       SER   8   7.293   5.444  -0.444
   57   2HB   SER   8          1HB       SER   8   6.346   6.296   0.774
   58    HG   SER   8           HG       SER   8   8.652   4.743   1.033
   59    H    CYS   9           H        CYS   9   3.654   4.335   1.826
   60    HA   CYS   9           HA       CYS   9   2.210   5.640  -0.416
   61   1HB   CYS   9          2HB       CYS   9   2.033   3.319  -0.996
   62   2HB   CYS   9          1HB       CYS   9   1.714   2.857   0.675
   63    H    VAL  10           H        VAL  10   0.373   6.776   0.311
   64    HA   VAL  10           HA       VAL  10   0.058   6.975   3.267
   65    HB   VAL  10           HB       VAL  10  -0.917   8.652   0.926
   66   1HG1  VAL  10          1HG1      VAL  10  -2.494   8.969   2.694
   67   2HG1  VAL  10          2HG1      VAL  10  -1.378  10.331   2.801
   68   3HG1  VAL  10          3HG1      VAL  10  -1.225   8.976   3.919
   69   1HG2  VAL  10          1HG2      VAL  10   0.762  10.197   2.461
   70   2HG2  VAL  10          2HG2      VAL  10   1.259   9.327   1.010
   71   3HG2  VAL  10          3HG2      VAL  10   1.515   8.607   2.600
   72    HA   PRO  11           HA       PRO  11  -3.593   4.451   2.848
   73   1HB   PRO  11          2HB       PRO  11  -4.482   4.736   5.426
   74   2HB   PRO  11          1HB       PRO  11  -3.150   3.656   4.968
   75   1HG   PRO  11          2HG       PRO  11  -3.048   6.378   6.172
   76   2HG   PRO  11          1HG       PRO  11  -2.046   4.957   6.505
   77   1HD   PRO  11          2HD       PRO  11  -1.215   7.033   4.959
   78   2HD   PRO  11          1HD       PRO  11  -0.646   5.363   4.736
   79    H    GLY  12           H        GLY  12  -5.738   4.917   2.361
   80   1HA   GLY  12          2HA       GLY  12  -7.668   6.504   3.200
   81   2HA   GLY  12          1HA       GLY  12  -6.579   7.763   2.609
   82    H    LYS  13           H        LYS  13  -5.679   7.107   0.272
   83    HA   LYS  13           HA       LYS  13  -8.099   6.614  -1.405
   84   1HB   LYS  13          2HB       LYS  13  -6.544   8.687  -1.505
   85   2HB   LYS  13          1HB       LYS  13  -5.395   7.614  -2.306
   86   1HG   LYS  13          2HG       LYS  13  -6.584   8.548  -4.108
   87   2HG   LYS  13          1HG       LYS  13  -7.398   7.004  -3.857
   88   1HD   LYS  13          2HD       LYS  13  -8.788   8.601  -2.133
   89   2HD   LYS  13          1HD       LYS  13  -8.390   9.753  -3.407
   90   1HE   LYS  13          2HE       LYS  13 -10.311   8.878  -4.352
   91   2HE   LYS  13          1HE       LYS  13  -9.176   7.644  -4.930
   92   1HZ   LYS  13          1HZ       LYS  13 -10.646   7.529  -2.347
   93   2HZ   LYS  13          2HZ       LYS  13  -9.600   6.339  -2.962
   94   3HZ   LYS  13          3HZ       LYS  13 -11.074   6.665  -3.742
   95    H    ASN  14           H        ASN  14  -5.325   4.970  -0.299
   96    HA   ASN  14           HA       ASN  14  -4.336   2.929  -0.897
   97   1HB   ASN  14          2HB       ASN  14  -7.123   2.920  -1.809
   98   2HB   ASN  14          1HB       ASN  14  -6.102   1.818  -2.733
   99   1HD2  ASN  14          1HD2      ASN  14  -7.258   2.561   0.556
  100   2HD2  ASN  14          2HD2      ASN  14  -6.836   1.058   1.222
  101    H    GLU  15           H        GLU  15  -2.595   4.017  -2.036
  102    HA   GLU  15           HA       GLU  15  -2.882   4.316  -4.984
  103   1HB   GLU  15          2HB       GLU  15  -0.725   5.038  -2.970
  104   2HB   GLU  15          1HB       GLU  15  -0.622   5.395  -4.695
  105   1HG   GLU  15          2HG       GLU  15  -2.346   6.971  -4.608
  106   2HG   GLU  15          1HG       GLU  15  -3.045   6.273  -3.146
  107    H    CYS  16           H        CYS  16  -3.046   1.660  -4.291
  108    HA   CYS  16           HA       CYS  16  -0.318   0.554  -4.874
  109   1HB   CYS  16          2HB       CYS  16  -2.650  -0.344  -3.194
  110   2HB   CYS  16          1HB       CYS  16  -1.475  -1.521  -3.780
  111    H    CYS  17           H        CYS  17  -0.386  -1.499  -6.171
  112    HA   CYS  17           HA       CYS  17  -2.241  -1.240  -8.446
  113   1HB   CYS  17          2HB       CYS  17   0.391  -2.156  -7.950
  114   2HB   CYS  17          1HB       CYS  17  -0.524  -3.570  -8.474
  115    H    SER  18           H        SER  18  -3.120  -3.457  -9.315
  116    HA   SER  18           HA       SER  18  -5.115  -4.483  -7.598
  117   1HB   SER  18          2HB       SER  18  -4.834  -4.623 -10.143
  118   2HB   SER  18          1HB       SER  18  -3.765  -5.992  -9.852
  119    HG   SER  18           HG       SER  18  -6.524  -5.726  -9.417
  120    H    GLY  19           H        GLY  19  -5.035  -5.942  -5.927
  121   1HA   GLY  19          2HA       GLY  19  -4.308  -8.023  -4.916
  122   2HA   GLY  19          1HA       GLY  19  -2.801  -7.906  -5.825
  123    H    TYR  20           H        TYR  20  -2.510  -4.999  -5.090
  124    HA   TYR  20           HA       TYR  20  -1.491  -5.446  -2.311
  125   1HB   TYR  20          2HB       TYR  20  -0.716  -3.486  -4.498
  126   2HB   TYR  20          1HB       TYR  20   0.071  -3.608  -2.924
  127    HD1  TYR  20           HD1      TYR  20   1.032  -5.929  -2.255
  128    HD2  TYR  20           HD2      TYR  20  -0.006  -4.842  -6.280
  129    HE1  TYR  20           HE1      TYR  20   2.476  -7.750  -3.120
  130    HE2  TYR  20           HE2      TYR  20   1.437  -6.664  -7.144
  131    HH   TYR  20           HH       TYR  20   2.294  -9.091  -5.870
  132    H    ALA  21           H        ALA  21  -1.604  -3.558  -0.843
  133    HA   ALA  21           HA       ALA  21  -3.620  -1.468  -1.483
  134   1HB   ALA  21          1HB       ALA  21  -4.856  -3.432  -0.618
  135   2HB   ALA  21          2HB       ALA  21  -4.930  -2.093   0.526
  136   3HB   ALA  21          3HB       ALA  21  -3.833  -3.443   0.817
  137    H    CYS  22           H        CYS  22  -3.416   0.377  -0.071
  138    HA   CYS  22           HA       CYS  22  -0.793   0.836   1.038
  139   1HB   CYS  22          2HB       CYS  22  -2.733   2.401   0.112
  140   2HB   CYS  22          1HB       CYS  22  -3.195   2.453   1.813
  141    H    ASN  23           H        ASN  23  -0.047   0.471   3.099
  142    HA   ASN  23           HA       ASN  23  -2.006  -0.523   5.141
  143   1HB   ASN  23          2HB       ASN  23   0.349  -1.585   4.040
  144   2HB   ASN  23          1HB       ASN  23   0.816  -1.034   5.649
  145   1HD2  ASN  23          1HD2      ASN  23   0.004  -2.203   7.468
  146   2HD2  ASN  23          2HD2      ASN  23  -0.991  -3.569   7.323
  147    H    SER  24           H        SER  24  -1.839   0.275   7.288
  148    HA   SER  24           HA       SER  24  -0.482   2.917   7.551
  149   1HB   SER  24          2HB       SER  24  -2.026   3.142   9.476
  150   2HB   SER  24          1HB       SER  24  -2.899   2.704   8.010
  151    HG   SER  24           HG       SER  24  -2.604   1.344  10.350
  152    H    ARG  25           H        ARG  25   0.338  -0.245   8.169
  153    HA   ARG  25           HA       ARG  25   1.409   0.049  10.887
  154   1HB   ARG  25          2HB       ARG  25   0.561  -2.086  10.017
  155   2HB   ARG  25          1HB       ARG  25   1.737  -2.041   8.705
  156   1HG   ARG  25          2HG       ARG  25   2.947  -1.734  11.368
  157   2HG   ARG  25          1HG       ARG  25   2.129  -3.280  11.142
  158   1HD   ARG  25          2HD       ARG  25   3.489  -2.959   8.742
  159   2HD   ARG  25          1HD       ARG  25   4.629  -2.321   9.943
  160    HE   ARG  25           HE       ARG  25   3.357  -5.025  10.166
  161   1HH1  ARG  25          2HH1      ARG  25   4.665  -3.814  12.615
  162   2HH1  ARG  25          1HH1      ARG  25   6.256  -4.495  12.530
  163   1HH2  ARG  25          1HH2      ARG  25   5.951  -5.467   9.209
  164   2HH2  ARG  25          2HH2      ARG  25   6.985  -5.432  10.598
  165    H    ASP  26           H        ASP  26   2.941  -0.572   7.692
  166    HA   ASP  26           HA       ASP  26   5.467   0.646   8.726
  167   1HB   ASP  26          2HB       ASP  26   4.947  -1.712   7.465
  168   2HB   ASP  26          1HB       ASP  26   5.332  -0.689   6.082
  169    H    LYS  27           H        LYS  27   2.842   1.909   7.387
  170    HA   LYS  27           HA       LYS  27   2.376   3.734   5.980
  171   1HB   LYS  27          2HB       LYS  27   5.336   4.173   6.504
  172   2HB   LYS  27          1HB       LYS  27   4.210   5.401   5.929
  173   1HG   LYS  27          2HG       LYS  27   3.027   4.226   8.227
  174   2HG   LYS  27          1HG       LYS  27   4.711   4.556   8.635
  175   1HD   LYS  27          2HD       LYS  27   4.494   6.869   8.080
  176   2HD   LYS  27          1HD       LYS  27   2.937   6.606   7.294
  177   1HE   LYS  27          2HE       LYS  27   1.880   6.086   9.426
  178   2HE   LYS  27          1HE       LYS  27   3.445   6.163  10.259
  179   1HZ   LYS  27          1HZ       LYS  27   3.686   8.455   9.558
  180   2HZ   LYS  27          2HZ       LYS  27   2.235   8.271  10.423
  181   3HZ   LYS  27          3HZ       LYS  27   2.207   8.393   8.729
  182    H    TRP  28           H        TRP  28   2.960   1.272   4.580
  183    HA   TRP  28           HA       TRP  28   3.899   2.436   2.016
  184   1HB   TRP  28          2HB       TRP  28   5.541   0.666   1.684
  185   2HB   TRP  28          1HB       TRP  28   5.877   1.500   3.193
  186    HD1  TRP  28           HD1      TRP  28   3.005  -0.694   3.838
  187    HE1  TRP  28           HE1      TRP  28   3.755  -2.894   4.941
  188    HE3  TRP  28           HE3      TRP  28   8.034  -0.431   2.993
  189    HZ2  TRP  28           HZ2      TRP  28   6.171  -4.353   5.409
  190    HZ3  TRP  28           HZ3      TRP  28   9.536  -2.240   3.779
  191    HH2  TRP  28           HH2      TRP  28   8.610  -4.199   4.984
  192    H    CYS  29           H        CYS  29   3.888   0.238   0.415
  193    HA   CYS  29           HA       CYS  29   1.025  -0.493   0.381
  194   1HB   CYS  29          2HB       CYS  29   2.426   0.346  -1.583
  195   2HB   CYS  29          1HB       CYS  29   3.233  -1.222  -1.562
  196    H    LYS  30           H        LYS  30   0.277  -2.471   1.014
  197    HA   LYS  30           HA       LYS  30   2.237  -4.723   1.331
  198   1HB   LYS  30          2HB       LYS  30   1.543  -3.539   3.455
  199   2HB   LYS  30          1HB       LYS  30  -0.116  -4.034   3.119
  200   1HG   LYS  30          2HG       LYS  30   0.288  -6.235   3.623
  201   2HG   LYS  30          1HG       LYS  30   1.947  -6.175   3.031
  202   1HD   LYS  30          2HD       LYS  30   2.066  -4.460   5.170
  203   2HD   LYS  30          1HD       LYS  30   0.900  -5.656   5.736
  204   1HE   LYS  30          2HE       LYS  30   2.788  -6.825   6.331
  205   2HE   LYS  30          1HE       LYS  30   2.808  -7.280   4.616
  206   1HZ   LYS  30          1HZ       LYS  30   4.920  -6.307   5.205
  207   2HZ   LYS  30          2HZ       LYS  30   4.157  -4.926   5.836
  208   3HZ   LYS  30          3HZ       LYS  30   4.095  -5.248   4.168
  209    H    VAL  31           H        VAL  31   1.213  -6.875   1.129
  210    HA   VAL  31           HA       VAL  31  -0.591  -7.144  -1.055
  211    HB   VAL  31           HB       VAL  31   0.142  -8.989   1.243
  212   1HG1  VAL  31          1HG1      VAL  31  -1.905  -9.826   0.270
  213   2HG1  VAL  31          2HG1      VAL  31  -0.580 -10.804  -0.362
  214   3HG1  VAL  31          3HG1      VAL  31  -1.303  -9.544  -1.363
  215   1HG2  VAL  31          1HG2      VAL  31   2.105  -8.502   0.015
  216   2HG2  VAL  31          2HG2      VAL  31   1.241  -8.474  -1.523
  217   3HG2  VAL  31          3HG2      VAL  31   1.528 -10.007  -0.700
  218    H    LEU  32           H        LEU  32  -2.786  -6.903  -1.147
  219    HA   LEU  32           HA       LEU  32  -4.376  -6.036   1.072
  220   1HB   LEU  32          2HB       LEU  32  -4.777  -5.627  -1.368
  221   2HB   LEU  32          1HB       LEU  32  -5.219  -7.325  -1.547
  222    HG   LEU  32           HG       LEU  32  -6.628  -5.936   0.642
  223   1HD1  LEU  32          1HD1      LEU  32  -8.216  -4.853  -1.020
  224   2HD1  LEU  32          2HD1      LEU  32  -6.979  -5.108  -2.251
  225   3HD1  LEU  32          3HD1      LEU  32  -6.645  -4.066  -0.868
  226   1HD2  LEU  32          1HD2      LEU  32  -7.607  -7.542  -1.742
  227   2HD2  LEU  32          2HD2      LEU  32  -8.512  -7.187  -0.270
  228   3HD2  LEU  32          3HD2      LEU  32  -7.106  -8.250  -0.206
  229    H    LEU  33           H        LEU  33  -5.594  -7.198   2.546
  230    HA   LEU  33           HA       LEU  33  -5.552 -10.190   2.313
  231   1HB   LEU  33          1HB       LEU  33  -5.559  -8.258   4.647
  232   2HB   LEU  33          2HB       LEU  33  -5.836  -9.988   4.849
  233    HG   LEU  33           HG       LEU  33  -3.445  -9.103   3.274
  234   1HD1  LEU  33          1HD1      LEU  33  -3.617  -7.790   5.497
  235   2HD1  LEU  33          2HD1      LEU  33  -3.342  -9.345   6.283
  236   3HD1  LEU  33          3HD1      LEU  33  -2.126  -8.679   5.192
  237   1HD2  LEU  33          1HD2      LEU  33  -4.322 -11.453   4.924
  238   2HD2  LEU  33          2HD2      LEU  33  -3.621 -11.426   3.306
  239   3HD2  LEU  33          3HD2      LEU  33  -2.597 -11.153   4.716
  240   1HN   NH2  34          1HN       NH2  34  -8.893  -8.192   1.956
  241   2HN   NH2  34          2HN       NH2  34  -7.210  -7.750   1.595
  Start of MODEL   12
    1   1H    GLU   1          1H        GLU   1  10.028   4.838   5.383
    2   2H    GLU   1          2H        GLU   1   9.176   4.378   6.780
    3   3H    GLU   1          3H        GLU   1   9.360   6.023   6.397
    4    HA   GLU   1           HA       GLU   1   7.113   5.245   5.856
    5   1HB   GLU   1          2HB       GLU   1   8.632   6.966   4.585
    6   2HB   GLU   1          1HB       GLU   1   8.662   5.742   3.317
    7   1HG   GLU   1          2HG       GLU   1   5.999   5.798   3.881
    8   2HG   GLU   1          1HG       GLU   1   6.434   7.473   4.222
    9    H    CYS   2           H        CYS   2   7.701   2.742   6.330
   10    HA   CYS   2           HA       CYS   2   7.290   1.286   3.743
   11   1HB   CYS   2          2HB       CYS   2   9.365   1.016   5.860
   12   2HB   CYS   2          1HB       CYS   2   8.720  -0.489   5.207
   13    H    LYS   3           H        LYS   3   5.493  -0.004   3.845
   14    HA   LYS   3           HA       LYS   3   4.513  -0.890   6.542
   15   1HB   LYS   3          2HB       LYS   3   3.285   0.649   4.355
   16   2HB   LYS   3          1HB       LYS   3   2.292  -0.703   4.901
   17   1HG   LYS   3          2HG       LYS   3   1.656   0.534   6.667
   18   2HG   LYS   3          1HG       LYS   3   3.325   0.509   7.239
   19   1HD   LYS   3          2HD       LYS   3   3.851   2.529   6.049
   20   2HD   LYS   3          1HD       LYS   3   2.313   2.490   5.186
   21   1HE   LYS   3          2HE       LYS   3   1.079   2.900   7.246
   22   2HE   LYS   3          1HE       LYS   3   2.570   2.784   8.201
   23   1HZ   LYS   3          1HZ       LYS   3   2.041   5.096   7.677
   24   2HZ   LYS   3          2HZ       LYS   3   2.069   4.739   6.016
   25   3HZ   LYS   3          3HZ       LYS   3   3.492   4.623   6.938
   26    H    GLY   4           H        GLY   4   3.956  -3.065   6.670
   27   1HA   GLY   4          2HA       GLY   4   4.688  -4.817   4.457
   28   2HA   GLY   4          1HA       GLY   4   4.045  -5.333   6.016
   29    H    PHE   5           H        PHE   5   3.057  -6.630   3.843
   30    HA   PHE   5           HA       PHE   5   0.767  -5.441   2.579
   31   1HB   PHE   5          2HB       PHE   5   1.902  -7.407   1.699
   32   2HB   PHE   5          1HB       PHE   5   1.560  -8.311   3.174
   33    HD1  PHE   5           HD1      PHE   5   0.041  -6.771   0.159
   34    HD2  PHE   5           HD2      PHE   5  -0.596  -9.299   3.575
   35    HE1  PHE   5           HE1      PHE   5  -2.142  -7.484  -0.774
   36    HE2  PHE   5           HE2      PHE   5  -2.779 -10.013   2.639
   37    HZ   PHE   5           HZ       PHE   5  -3.551  -9.105   0.465
   38    H    GLY   6           H        GLY   6  -1.337  -5.241   3.288
   39   1HA   GLY   6          2HA       GLY   6  -3.270  -5.938   4.567
   40   2HA   GLY   6          1HA       GLY   6  -2.195  -6.729   5.714
   41    H    LYS   7           H        LYS   7  -0.780  -3.789   5.107
   42    HA   LYS   7           HA       LYS   7  -1.816  -2.672   7.644
   43   1HB   LYS   7          2HB       LYS   7   0.456  -2.099   5.735
   44   2HB   LYS   7          1HB       LYS   7   0.062  -0.977   7.037
   45   1HG   LYS   7          2HG       LYS   7   0.365  -3.891   7.676
   46   2HG   LYS   7          1HG       LYS   7   1.813  -2.910   7.447
   47   1HD   LYS   7          2HD       LYS   7  -0.172  -1.570   9.124
   48   2HD   LYS   7          1HD       LYS   7   0.342  -3.116   9.802
   49   1HE   LYS   7          2HE       LYS   7   2.698  -2.443   9.642
   50   2HE   LYS   7          1HE       LYS   7   2.224  -0.910   8.883
   51   1HZ   LYS   7          1HZ       LYS   7   0.888  -0.391  10.825
   52   2HZ   LYS   7          2HZ       LYS   7   2.505  -0.649  11.279
   53   3HZ   LYS   7          3HZ       LYS   7   1.338  -1.852  11.562
   54    H    SER   8           H        SER   8  -3.508  -1.265   7.595
   55    HA   SER   8           HA       SER   8  -4.841  -0.268   5.346
   56   1HB   SER   8          2HB       SER   8  -5.733   1.420   6.986
   57   2HB   SER   8          1HB       SER   8  -5.752  -0.230   7.596
   58    HG   SER   8           HG       SER   8  -4.820   0.928   9.190
   59    H    CYS   9           H        CYS   9  -4.422   1.353   3.890
   60    HA   CYS   9           HA       CYS   9  -2.697   3.642   4.575
   61   1HB   CYS   9          2HB       CYS   9  -1.098   1.845   4.029
   62   2HB   CYS   9          1HB       CYS   9  -1.926   1.563   2.497
   63    H    VAL  10           H        VAL  10  -2.875   5.333   2.983
   64    HA   VAL  10           HA       VAL  10  -5.284   5.111   1.266
   65    HB   VAL  10           HB       VAL  10  -3.471   7.383   2.142
   66   1HG1  VAL  10          1HG1      VAL  10  -5.860   7.330   0.294
   67   2HG1  VAL  10          2HG1      VAL  10  -4.286   8.081   0.029
   68   3HG1  VAL  10          3HG1      VAL  10  -5.415   8.787   1.185
   69   1HG2  VAL  10          1HG2      VAL  10  -5.360   8.033   3.523
   70   2HG2  VAL  10          2HG2      VAL  10  -5.007   6.335   3.843
   71   3HG2  VAL  10          3HG2      VAL  10  -6.369   6.773   2.811
   72    HA   PRO  11           HA       PRO  11  -2.611   4.434  -2.244
   73   1HB   PRO  11          2HB       PRO  11  -4.578   4.505  -4.146
   74   2HB   PRO  11          1HB       PRO  11  -4.291   3.097  -3.105
   75   1HG   PRO  11          2HG       PRO  11  -6.361   5.223  -2.884
   76   2HG   PRO  11          1HG       PRO  11  -6.490   3.486  -2.574
   77   1HD   PRO  11          2HD       PRO  11  -6.249   5.354  -0.603
   78   2HD   PRO  11          1HD       PRO  11  -5.689   3.675  -0.439
   79    H    GLY  12           H        GLY  12  -1.782   5.766  -3.971
   80   1HA   GLY  12          2HA       GLY  12  -2.197   7.773  -5.448
   81   2HA   GLY  12          1HA       GLY  12  -2.853   8.565  -4.015
   82    H    LYS  13           H        LYS  13  -1.114   8.203  -2.049
   83    HA   LYS  13           HA       LYS  13   1.309   9.625  -2.983
   84   1HB   LYS  13          2HB       LYS  13  -0.073   9.049  -0.373
   85   2HB   LYS  13          1HB       LYS  13   1.605   9.591  -0.362
   86   1HG   LYS  13          2HG       LYS  13   0.650  11.667  -0.377
   87   2HG   LYS  13          1HG       LYS  13   0.550  11.376  -2.113
   88   1HD   LYS  13          2HD       LYS  13  -1.691  11.529  -1.986
   89   2HD   LYS  13          1HD       LYS  13  -1.709  10.114  -0.932
   90   1HE   LYS  13          2HE       LYS  13  -1.401  11.543   1.045
   91   2HE   LYS  13          1HE       LYS  13  -1.309  12.980   0.008
   92   1HZ   LYS  13          1HZ       LYS  13  -3.565  12.661   0.815
   93   2HZ   LYS  13          2HZ       LYS  13  -3.603  11.091   0.165
   94   3HZ   LYS  13          3HZ       LYS  13  -3.506  12.440  -0.865
   95    H    ASN  14           H        ASN  14   0.386   6.397  -2.151
   96    HA   ASN  14           HA       ASN  14   1.617   4.413  -1.884
   97   1HB   ASN  14          2HB       ASN  14   2.433   5.461  -4.086
   98   2HB   ASN  14          1HB       ASN  14   3.851   5.990  -3.181
   99   1HD2  ASN  14          1HD2      ASN  14   5.444   4.403  -2.640
  100   2HD2  ASN  14          2HD2      ASN  14   5.327   2.776  -3.113
  101    H    GLU  15           H        GLU  15   1.640   4.887   0.497
  102    HA   GLU  15           HA       GLU  15   4.284   5.827   1.523
  103   1HB   GLU  15          2HB       GLU  15   1.559   5.418   2.796
  104   2HB   GLU  15          1HB       GLU  15   2.983   5.969   3.675
  105   1HG   GLU  15          2HG       GLU  15   1.700   7.372   1.310
  106   2HG   GLU  15          1HG       GLU  15   1.619   7.893   2.992
  107    H    CYS  16           H        CYS  16   4.107   3.196   0.332
  108    HA   CYS  16           HA       CYS  16   4.336   1.411   2.733
  109   1HB   CYS  16          2HB       CYS  16   3.291   1.140  -0.045
  110   2HB   CYS  16          1HB       CYS  16   4.132  -0.264   0.612
  111    H    CYS  17           H        CYS  17   5.850  -0.616   1.790
  112    HA   CYS  17           HA       CYS  17   8.489   0.658   1.344
  113   1HB   CYS  17          2HB       CYS  17   7.575  -1.373   2.932
  114   2HB   CYS  17          1HB       CYS  17   8.218  -2.286   1.567
  115    H    SER  18           H        SER  18   9.989  -0.700  -0.183
  116    HA   SER  18           HA       SER  18   9.072  -0.499  -2.871
  117   1HB   SER  18          2HB       SER  18  11.437  -0.523  -1.950
  118   2HB   SER  18          1HB       SER  18  11.282  -2.270  -1.786
  119    HG   SER  18           HG       SER  18  11.430  -0.671  -4.079
  120    H    GLY  19           H        GLY  19   7.870  -1.889  -4.114
  121   1HA   GLY  19          2HA       GLY  19   7.275  -4.087  -4.937
  122   2HA   GLY  19          1HA       GLY  19   7.774  -4.771  -3.392
  123    H    TYR  20           H        TYR  20   6.210  -2.422  -2.078
  124    HA   TYR  20           HA       TYR  20   3.496  -3.672  -2.376
  125   1HB   TYR  20          2HB       TYR  20   4.749  -2.372   0.065
  126   2HB   TYR  20          1HB       TYR  20   3.239  -3.279   0.011
  127    HD1  TYR  20           HD1      TYR  20   6.751  -3.477   0.573
  128    HD2  TYR  20           HD2      TYR  20   3.391  -5.748  -0.850
  129    HE1  TYR  20           HE1      TYR  20   8.000  -5.579   0.978
  130    HE2  TYR  20           HE2      TYR  20   4.642  -7.849  -0.444
  131    HH   TYR  20           HH       TYR  20   7.683  -8.164  -0.226
  132    H    ALA  21           H        ALA  21   1.792  -2.267  -2.716
  133    HA   ALA  21           HA       ALA  21   2.313   0.680  -2.487
  134   1HB   ALA  21          1HB       ALA  21   0.897  -0.838  -4.707
  135   2HB   ALA  21          2HB       ALA  21   2.514  -0.143  -4.819
  136   3HB   ALA  21          3HB       ALA  21   1.112   0.911  -4.638
  137    H    CYS  22           H        CYS  22   0.551   1.862  -1.681
  138    HA   CYS  22           HA       CYS  22  -1.514   0.462  -0.227
  139   1HB   CYS  22          2HB       CYS  22  -1.332   3.373  -1.079
  140   2HB   CYS  22          1HB       CYS  22  -2.290   2.737   0.259
  141    H    ASN  23           H        ASN  23  -3.586  -0.075  -0.874
  142    HA   ASN  23           HA       ASN  23  -4.404   0.705  -3.656
  143   1HB   ASN  23          2HB       ASN  23  -4.312  -1.793  -2.104
  144   2HB   ASN  23          1HB       ASN  23  -5.850  -1.537  -2.928
  145   1HD2  ASN  23          1HD2      ASN  23  -2.301  -1.502  -3.577
  146   2HD2  ASN  23          2HD2      ASN  23  -2.447  -1.993  -5.196
  147    H    SER  24           H        SER  24  -6.882   0.597  -3.908
  148    HA   SER  24           HA       SER  24  -8.141   2.066  -1.633
  149   1HB   SER  24          2HB       SER  24  -7.967   2.975  -4.012
  150   2HB   SER  24          1HB       SER  24  -9.108   1.719  -4.483
  151    HG   SER  24           HG       SER  24 -10.665   2.764  -3.499
  152    H    ARG  25           H        ARG  25  -8.625  -0.732  -3.793
  153    HA   ARG  25           HA       ARG  25 -11.221  -1.549  -3.103
  154   1HB   ARG  25          2HB       ARG  25  -8.717  -2.750  -4.095
  155   2HB   ARG  25          1HB       ARG  25  -9.792  -3.903  -3.305
  156   1HG   ARG  25          2HG       ARG  25 -11.289  -2.114  -5.037
  157   2HG   ARG  25          1HG       ARG  25 -10.014  -2.941  -5.932
  158   1HD   ARG  25          2HD       ARG  25 -11.086  -4.944  -5.799
  159   2HD   ARG  25          1HD       ARG  25 -11.456  -4.717  -4.079
  160    HE   ARG  25           HE       ARG  25 -13.421  -3.425  -4.712
  161   1HH1  ARG  25          2HH1      ARG  25 -12.633  -2.187  -7.241
  162   2HH1  ARG  25          1HH1      ARG  25 -13.461  -3.137  -8.430
  163   1HH2  ARG  25          1HH2      ARG  25 -14.065  -5.791  -6.272
  164   2HH2  ARG  25          2HH2      ARG  25 -14.272  -5.182  -7.880
  165    H    ASP  26           H        ASP  26  -8.191  -2.605  -1.481
  166    HA   ASP  26           HA       ASP  26  -9.794  -3.563   0.843
  167   1HB   ASP  26          2HB       ASP  26  -6.996  -3.936  -0.213
  168   2HB   ASP  26          1HB       ASP  26  -7.387  -4.381   1.450
  169    H    LYS  27           H        LYS  27  -8.064  -0.781  -0.124
  170    HA   LYS  27           HA       LYS  27  -7.362   1.135   1.042
  171   1HB   LYS  27          2HB       LYS  27  -9.550  -0.130   2.490
  172   2HB   LYS  27          1HB       LYS  27  -8.487   0.749   3.589
  173   1HG   LYS  27          2HG       LYS  27  -8.628   2.654   1.807
  174   2HG   LYS  27          1HG       LYS  27 -10.064   1.794   1.250
  175   1HD   LYS  27          2HD       LYS  27 -11.263   2.693   2.925
  176   2HD   LYS  27          1HD       LYS  27 -10.183   1.950   4.103
  177   1HE   LYS  27          2HE       LYS  27  -9.219   4.427   2.719
  178   2HE   LYS  27          1HE       LYS  27 -10.448   4.604   3.988
  179   1HZ   LYS  27          1HZ       LYS  27  -9.076   3.240   5.451
  180   2HZ   LYS  27          2HZ       LYS  27  -8.225   4.620   4.945
  181   3HZ   LYS  27          3HZ       LYS  27  -7.888   3.109   4.246
  182    H    TRP  28           H        TRP  28  -5.564  -1.132   1.057
  183    HA   TRP  28           HA       TRP  28  -4.038  -0.495   3.523
  184   1HB   TRP  28          2HB       TRP  28  -3.839  -2.838   4.139
  185   2HB   TRP  28          1HB       TRP  28  -5.543  -2.438   3.988
  186    HD1  TRP  28           HD1      TRP  28  -4.268  -2.736   0.567
  187    HE1  TRP  28           HE1      TRP  28  -4.759  -5.062  -0.412
  188    HE3  TRP  28           HE3      TRP  28  -5.556  -5.227   4.830
  189    HZ2  TRP  28           HZ2      TRP  28  -5.595  -7.641   0.486
  190    HZ3  TRP  28           HZ3      TRP  28  -6.199  -7.619   4.738
  191    HH2  TRP  28           HH2      TRP  28  -6.221  -8.828   2.573
  192    H    CYS  29           H        CYS  29  -1.965  -2.259   3.277
  193    HA   CYS  29           HA       CYS  29  -0.615  -1.292   0.842
  194   1HB   CYS  29          2HB       CYS  29   0.258  -1.505   3.298
  195   2HB   CYS  29          1HB       CYS  29   0.493  -3.205   2.893
  196    H    LYS  30           H        LYS  30  -1.070  -2.451  -1.007
  197    HA   LYS  30           HA       LYS  30  -1.262  -5.436  -0.802
  198   1HB   LYS  30          2HB       LYS  30  -3.157  -3.882  -1.698
  199   2HB   LYS  30          1HB       LYS  30  -2.138  -3.726  -3.132
  200   1HG   LYS  30          2HG       LYS  30  -2.043  -6.314  -3.104
  201   2HG   LYS  30          1HG       LYS  30  -3.416  -6.217  -2.002
  202   1HD   LYS  30          2HD       LYS  30  -4.747  -6.051  -3.813
  203   2HD   LYS  30          1HD       LYS  30  -4.050  -4.455  -4.093
  204   1HE   LYS  30          2HE       LYS  30  -3.556  -5.494  -6.129
  205   2HE   LYS  30          1HE       LYS  30  -2.093  -5.898  -5.212
  206   1HZ   LYS  30          1HZ       LYS  30  -3.140  -7.869  -6.229
  207   2HZ   LYS  30          2HZ       LYS  30  -4.545  -7.581  -5.320
  208   3HZ   LYS  30          3HZ       LYS  30  -3.087  -7.970  -4.536
  209    H    VAL  31           H        VAL  31   0.025  -6.695  -2.231
  210    HA   VAL  31           HA       VAL  31   2.596  -5.707  -2.943
  211    HB   VAL  31           HB       VAL  31   1.873  -8.090  -2.562
  212   1HG1  VAL  31          1HG1      VAL  31  -0.187  -7.799  -4.082
  213   2HG1  VAL  31          2HG1      VAL  31   0.711  -9.309  -4.238
  214   3HG1  VAL  31          3HG1      VAL  31   0.924  -8.029  -5.432
  215   1HG2  VAL  31          1HG2      VAL  31   3.962  -7.226  -3.935
  216   2HG2  VAL  31          2HG2      VAL  31   3.106  -7.953  -5.296
  217   3HG2  VAL  31          3HG2      VAL  31   3.567  -8.944  -3.912
  218    H    LEU  32           H        LEU  32   3.425  -4.865  -4.860
  219    HA   LEU  32           HA       LEU  32   1.482  -4.392  -7.100
  220   1HB   LEU  32          2HB       LEU  32   2.237  -2.473  -5.476
  221   2HB   LEU  32          1HB       LEU  32   3.750  -2.541  -6.379
  222    HG   LEU  32           HG       LEU  32   2.169  -2.449  -8.481
  223   1HD1  LEU  32          1HD1      LEU  32  -0.007  -1.954  -8.131
  224   2HD1  LEU  32          2HD1      LEU  32   0.401  -0.670  -6.993
  225   3HD1  LEU  32          3HD1      LEU  32   0.268  -2.336  -6.432
  226   1HD2  LEU  32          1HD2      LEU  32   2.035   0.211  -7.824
  227   2HD2  LEU  32          2HD2      LEU  32   3.480  -0.585  -8.447
  228   3HD2  LEU  32          3HD2      LEU  32   3.277  -0.359  -6.709
  229    H    LEU  33           H        LEU  33   2.408  -6.357  -8.111
  230    HA   LEU  33           HA       LEU  33   5.176  -5.925  -9.202
  231   1HB   LEU  33          1HB       LEU  33   3.643  -8.383  -8.335
  232   2HB   LEU  33          2HB       LEU  33   5.070  -8.502  -9.363
  233    HG   LEU  33           HG       LEU  33   5.111  -6.970  -6.759
  234   1HD1  LEU  33          1HD1      LEU  33   4.416  -9.401  -6.458
  235   2HD1  LEU  33          2HD1      LEU  33   5.985  -9.845  -7.130
  236   3HD1  LEU  33          3HD1      LEU  33   5.898  -8.930  -5.624
  237   1HD2  LEU  33          1HD2      LEU  33   6.892  -6.919  -8.750
  238   2HD2  LEU  33          2HD2      LEU  33   7.406  -6.899  -7.063
  239   3HD2  LEU  33          3HD2      LEU  33   7.438  -8.407  -7.976
  240   1HN   NH2  34          1HN       NH2  34   1.998  -5.917 -11.470
  241   2HN   NH2  34          2HN       NH2  34   2.230  -5.495  -9.759
  Start of MODEL   13
    1   1H    GLU   1          1H        GLU   1   8.412   8.928  -0.080
    2   2H    GLU   1          2H        GLU   1   9.489   8.429   1.136
    3   3H    GLU   1          3H        GLU   1   8.634   9.888   1.300
    4    HA   GLU   1           HA       GLU   1   7.631   8.191   2.700
    5   1HB   GLU   1          2HB       GLU   1   6.422   9.688   0.512
    6   2HB   GLU   1          1HB       GLU   1   5.447   8.279   0.926
    7   1HG   GLU   1          2HG       GLU   1   6.503   9.866   3.209
    8   2HG   GLU   1          1HG       GLU   1   5.240  10.626   2.243
    9    H    CYS   2           H        CYS   2   8.395   6.048   2.686
   10    HA   CYS   2           HA       CYS   2   7.272   4.269   0.545
   11   1HB   CYS   2          2HB       CYS   2  10.020   4.758   1.481
   12   2HB   CYS   2          1HB       CYS   2   9.592   3.048   1.424
   13    H    LYS   3           H        LYS   3   5.637   3.241   1.679
   14    HA   LYS   3           HA       LYS   3   6.036   2.423   4.498
   15   1HB   LYS   3          2HB       LYS   3   3.751   2.360   2.510
   16   2HB   LYS   3          1HB       LYS   3   3.614   1.664   4.123
   17   1HG   LYS   3          2HG       LYS   3   3.868   3.755   5.183
   18   2HG   LYS   3          1HG       LYS   3   4.562   4.500   3.743
   19   1HD   LYS   3          2HD       LYS   3   2.122   3.691   2.799
   20   2HD   LYS   3          1HD       LYS   3   1.731   4.094   4.471
   21   1HE   LYS   3          2HE       LYS   3   3.042   6.292   4.054
   22   2HE   LYS   3          1HE       LYS   3   2.883   5.894   2.332
   23   1HZ   LYS   3          1HZ       LYS   3   0.651   6.055   4.293
   24   2HZ   LYS   3          2HZ       LYS   3   0.494   5.625   2.657
   25   3HZ   LYS   3          3HZ       LYS   3   0.986   7.193   3.082
   26    H    GLY   4           H        GLY   4   6.064   0.224   5.168
   27   1HA   GLY   4          2HA       GLY   4   6.960  -1.697   3.117
   28   2HA   GLY   4          1HA       GLY   4   6.974  -1.960   4.860
   29    H    PHE   5           H        PHE   5   6.037  -4.064   3.555
   30    HA   PHE   5           HA       PHE   5   3.240  -4.032   2.839
   31   1HB   PHE   5          2HB       PHE   5   4.730  -5.754   2.044
   32   2HB   PHE   5          1HB       PHE   5   5.205  -6.183   3.686
   33    HD1  PHE   5           HD1      PHE   5   3.950  -7.744   4.958
   34    HD2  PHE   5           HD2      PHE   5   2.317  -6.135   1.325
   35    HE1  PHE   5           HE1      PHE   5   2.086  -9.373   5.074
   36    HE2  PHE   5           HE2      PHE   5   0.452  -7.766   1.442
   37    HZ   PHE   5           HZ       PHE   5   0.337  -9.384   3.317
   38    H    GLY   6           H        GLY   6   1.414  -4.435   4.114
   39   1HA   GLY   6          2HA       GLY   6   0.140  -4.880   6.046
   40   2HA   GLY   6          1HA       GLY   6   1.606  -5.469   6.827
   41    H    LYS   7           H        LYS   7   1.267  -2.260   5.371
   42    HA   LYS   7           HA       LYS   7   1.526  -1.067   8.117
   43   1HB   LYS   7          2HB       LYS   7   2.717  -0.378   5.421
   44   2HB   LYS   7          1HB       LYS   7   2.716   0.774   6.755
   45   1HG   LYS   7          2HG       LYS   7   3.715  -2.003   7.273
   46   2HG   LYS   7          1HG       LYS   7   4.759  -0.884   6.399
   47   1HD   LYS   7          2HD       LYS   7   3.420   0.003   8.941
   48   2HD   LYS   7          1HD       LYS   7   4.887  -0.973   9.017
   49   1HE   LYS   7          2HE       LYS   7   4.882   1.396   7.177
   50   2HE   LYS   7          1HE       LYS   7   5.049   1.684   8.920
   51   1HZ   LYS   7          1HZ       LYS   7   6.829   0.063   8.998
   52   2HZ   LYS   7          2HZ       LYS   7   7.205   1.273   7.867
   53   3HZ   LYS   7          3HZ       LYS   7   6.666  -0.248   7.339
   54    H    SER   8           H        SER   8  -0.105   0.327   8.665
   55    HA   SER   8           HA       SER   8  -2.441   0.748   7.124
   56   1HB   SER   8          2HB       SER   8  -1.129   2.175   9.438
   57   2HB   SER   8          1HB       SER   8  -2.676   2.720   8.797
   58    HG   SER   8           HG       SER   8  -3.602   1.059   9.693
   59    H    CYS   9           H        CYS   9  -2.619   1.866   5.230
   60    HA   CYS   9           HA       CYS   9  -1.234   4.495   4.965
   61   1HB   CYS   9          2HB       CYS   9  -0.263   3.855   2.873
   62   2HB   CYS   9          1HB       CYS   9   0.068   2.519   3.972
   63    H    VAL  10           H        VAL  10  -2.154   5.723   3.034
   64    HA   VAL  10           HA       VAL  10  -5.086   5.215   2.861
   65    HB   VAL  10           HB       VAL  10  -4.139   7.392   3.694
   66   1HG1  VAL  10          1HG1      VAL  10  -2.246   7.270   1.885
   67   2HG1  VAL  10          2HG1      VAL  10  -2.917   8.841   2.318
   68   3HG1  VAL  10          3HG1      VAL  10  -3.440   8.038   0.839
   69   1HG2  VAL  10          1HG2      VAL  10  -6.408   7.218   2.682
   70   2HG2  VAL  10          2HG2      VAL  10  -5.711   7.599   1.107
   71   3HG2  VAL  10          3HG2      VAL  10  -5.670   8.796   2.401
   72    HA   PRO  11           HA       PRO  11  -4.354   3.822  -1.312
   73   1HB   PRO  11          2HB       PRO  11  -6.972   3.329  -1.934
   74   2HB   PRO  11          1HB       PRO  11  -5.997   2.242  -0.926
   75   1HG   PRO  11          2HG       PRO  11  -8.055   4.225  -0.127
   76   2HG   PRO  11          1HG       PRO  11  -7.677   2.643   0.570
   77   1HD   PRO  11          2HD       PRO  11  -6.892   5.051   1.647
   78   2HD   PRO  11          1HD       PRO  11  -6.086   3.498   1.954
   79    H    GLY  12           H        GLY  12  -5.217   4.494  -3.540
   80   1HA   GLY  12          2HA       GLY  12  -6.586   6.179  -4.787
   81   2HA   GLY  12          1HA       GLY  12  -6.208   7.322  -3.495
   82    H    LYS  13           H        LYS  13  -3.742   7.639  -3.156
   83    HA   LYS  13           HA       LYS  13  -2.517   8.097  -5.838
   84   1HB   LYS  13          2HB       LYS  13  -2.408   9.297  -3.114
   85   2HB   LYS  13          1HB       LYS  13  -0.929   9.387  -4.071
   86   1HG   LYS  13          2HG       LYS  13  -3.469  10.083  -5.464
   87   2HG   LYS  13          1HG       LYS  13  -2.879  11.233  -4.264
   88   1HD   LYS  13          2HD       LYS  13  -1.033  10.108  -6.367
   89   2HD   LYS  13          1HD       LYS  13  -2.053  11.506  -6.709
   90   1HE   LYS  13          2HE       LYS  13  -0.464  11.569  -4.172
   91   2HE   LYS  13          1HE       LYS  13   0.408  11.814  -5.698
   92   1HZ   LYS  13          1HZ       LYS  13  -2.062  13.258  -4.882
   93   2HZ   LYS  13          2HZ       LYS  13  -1.200  13.493  -6.328
   94   3HZ   LYS  13          3HZ       LYS  13  -0.495  13.905  -4.838
   95    H    ASN  14           H        ASN  14  -2.425   5.663  -3.582
   96    HA   ASN  14           HA       ASN  14  -0.877   3.980  -3.042
   97   1HB   ASN  14          2HB       ASN  14   0.084   5.012  -5.725
   98   2HB   ASN  14          1HB       ASN  14   0.760   3.573  -4.961
   99   1HD2  ASN  14          1HD2      ASN  14  -2.038   4.847  -6.658
  100   2HD2  ASN  14          2HD2      ASN  14  -2.903   3.388  -6.720
  101    H    GLU  15           H        GLU  15  -0.253   5.717  -1.306
  102    HA   GLU  15           HA       GLU  15   2.270   7.138  -1.624
  103   1HB   GLU  15          2HB       GLU  15   0.373   6.449   0.616
  104   2HB   GLU  15          1HB       GLU  15   1.917   7.226   0.966
  105   1HG   GLU  15          2HG       GLU  15   1.066   8.794  -1.074
  106   2HG   GLU  15          1HG       GLU  15  -0.488   8.324  -0.386
  107    H    CYS  16           H        CYS  16   1.470   3.843  -0.942
  108    HA   CYS  16           HA       CYS  16   3.620   3.094   0.796
  109   1HB   CYS  16          2HB       CYS  16   1.455   1.879  -0.015
  110   2HB   CYS  16          1HB       CYS  16   2.452   1.352  -1.370
  111    H    CYS  17           H        CYS  17   5.524   1.732   0.092
  112    HA   CYS  17           HA       CYS  17   7.061   3.066  -1.991
  113   1HB   CYS  17          2HB       CYS  17   7.687   1.867   0.296
  114   2HB   CYS  17          1HB       CYS  17   7.824   0.447  -0.740
  115    H    SER  18           H        SER  18   8.127   1.811  -3.787
  116    HA   SER  18           HA       SER  18   6.305   0.561  -5.550
  117   1HB   SER  18          2HB       SER  18   8.389  -0.119  -6.745
  118   2HB   SER  18          1HB       SER  18   8.447   1.556  -6.208
  119    HG   SER  18           HG       SER  18  10.041  -0.520  -5.548
  120    H    GLY  19           H        GLY  19   5.708  -1.579  -5.902
  121   1HA   GLY  19          2HA       GLY  19   6.051  -3.990  -5.688
  122   2HA   GLY  19          1HA       GLY  19   6.974  -3.690  -4.212
  123    H    TYR  20           H        TYR  20   5.274  -1.937  -2.863
  124    HA   TYR  20           HA       TYR  20   2.943  -3.722  -2.268
  125   1HB   TYR  20          2HB       TYR  20   4.352  -1.588  -0.624
  126   2HB   TYR  20          1HB       TYR  20   3.049  -2.624  -0.047
  127    HD1  TYR  20           HD1      TYR  20   6.361  -2.232   0.373
  128    HD2  TYR  20           HD2      TYR  20   3.653  -5.260  -1.026
  129    HE1  TYR  20           HE1      TYR  20   8.016  -3.983   0.955
  130    HE2  TYR  20           HE2      TYR  20   5.309  -7.010  -0.445
  131    HH   TYR  20           HH       TYR  20   8.293  -6.684  -0.123
  132    H    ALA  21           H        ALA  21   0.883  -2.907  -2.540
  133    HA   ALA  21           HA       ALA  21   0.613   0.002  -3.245
  134   1HB   ALA  21          1HB       ALA  21   0.305  -1.583  -5.117
  135   2HB   ALA  21          2HB       ALA  21  -1.216  -0.779  -4.726
  136   3HB   ALA  21          3HB       ALA  21  -0.931  -2.436  -4.193
  137    H    CYS  22           H        CYS  22  -1.097   1.135  -2.265
  138    HA   CYS  22           HA       CYS  22  -2.181   0.090   0.217
  139   1HB   CYS  22          2HB       CYS  22  -2.570   2.562  -1.477
  140   2HB   CYS  22          1HB       CYS  22  -3.520   2.303  -0.014
  141    H    ASN  23           H        ASN  23  -3.842  -1.374   0.259
  142    HA   ASN  23           HA       ASN  23  -5.703  -1.603  -2.028
  143   1HB   ASN  23          2HB       ASN  23  -4.900  -3.169   0.382
  144   2HB   ASN  23          1HB       ASN  23  -6.522  -3.455  -0.252
  145   1HD2  ASN  23          1HD2      ASN  23  -3.109  -3.219  -1.429
  146   2HD2  ASN  23          2HD2      ASN  23  -3.295  -4.400  -2.633
  147    H    SER  24           H        SER  24  -8.055  -1.607  -1.669
  148    HA   SER  24           HA       SER  24  -8.888   0.484   0.271
  149   1HB   SER  24          2HB       SER  24 -10.061  -0.846  -2.171
  150   2HB   SER  24          1HB       SER  24 -11.051   0.173  -1.131
  151    HG   SER  24           HG       SER  24  -8.900   0.827  -2.790
  152    H    ARG  25           H        ARG  25  -8.516  -2.774   0.527
  153    HA   ARG  25           HA       ARG  25 -11.109  -3.246   1.943
  154   1HB   ARG  25          2HB       ARG  25  -9.544  -4.718   0.116
  155   2HB   ARG  25          1HB       ARG  25  -9.331  -5.529   1.668
  156   1HG   ARG  25          2HG       ARG  25 -11.953  -5.225   1.832
  157   2HG   ARG  25          1HG       ARG  25 -11.837  -5.112   0.075
  158   1HD   ARG  25          2HD       ARG  25 -10.763  -7.291  -0.057
  159   2HD   ARG  25          1HD       ARG  25 -10.668  -7.391   1.712
  160    HE   ARG  25           HE       ARG  25 -13.233  -7.223   1.649
  161   1HH1  ARG  25          2HH1      ARG  25 -13.477  -6.920  -1.317
  162   2HH1  ARG  25          1HH1      ARG  25 -13.814  -8.541  -1.827
  163   1HH2  ARG  25          1HH2      ARG  25 -12.747  -9.980   1.151
  164   2HH2  ARG  25          2HH2      ARG  25 -13.399 -10.278  -0.426
  165    H    ASP  26           H        ASP  26  -7.596  -3.910   2.337
  166    HA   ASP  26           HA       ASP  26  -7.955  -4.239   5.260
  167   1HB   ASP  26          2HB       ASP  26  -5.748  -4.628   3.241
  168   2HB   ASP  26          1HB       ASP  26  -5.396  -4.660   4.968
  169    H    LYS  27           H        LYS  27  -7.358  -1.653   3.131
  170    HA   LYS  27           HA       LYS  27  -6.620   0.555   3.457
  171   1HB   LYS  27          2HB       LYS  27  -8.193  -0.190   5.543
  172   2HB   LYS  27          1HB       LYS  27  -6.713   0.225   6.409
  173   1HG   LYS  27          2HG       LYS  27  -6.727   2.386   4.971
  174   2HG   LYS  27          1HG       LYS  27  -8.415   1.986   4.649
  175   1HD   LYS  27          2HD       LYS  27  -8.759   1.826   7.151
  176   2HD   LYS  27          1HD       LYS  27  -7.134   2.483   7.349
  177   1HE   LYS  27          2HE       LYS  27  -9.026   3.955   5.544
  178   2HE   LYS  27          1HE       LYS  27  -9.240   4.112   7.298
  179   1HZ   LYS  27          1HZ       LYS  27  -7.657   5.750   6.462
  180   2HZ   LYS  27          2HZ       LYS  27  -6.684   4.511   5.827
  181   3HZ   LYS  27          3HZ       LYS  27  -6.893   4.654   7.507
  182    H    TRP  28           H        TRP  28  -4.537  -1.496   3.287
  183    HA   TRP  28           HA       TRP  28  -2.375   0.008   4.648
  184   1HB   TRP  28          2HB       TRP  28  -1.525  -1.934   5.792
  185   2HB   TRP  28          1HB       TRP  28  -3.234  -1.808   6.177
  186    HD1  TRP  28           HD1      TRP  28  -3.268  -3.097   2.805
  187    HE1  TRP  28           HE1      TRP  28  -3.418  -5.663   2.753
  188    HE3  TRP  28           HE3      TRP  28  -2.042  -4.148   7.649
  189    HZ2  TRP  28           HZ2      TRP  28  -3.069  -7.875   4.527
  190    HZ3  TRP  28           HZ3      TRP  28  -1.961  -6.495   8.440
  191    HH2  TRP  28           HH2      TRP  28  -2.473  -8.358   6.886
  192    H    CYS  29           H        CYS  29  -0.223  -1.559   4.065
  193    HA   CYS  29           HA       CYS  29  -0.081  -1.352   1.128
  194   1HB   CYS  29          2HB       CYS  29   1.816  -1.874   3.411
  195   2HB   CYS  29          1HB       CYS  29   2.340  -2.092   1.742
  196    H    LYS  30           H        LYS  30   0.001  -3.093  -0.274
  197    HA   LYS  30           HA       LYS  30   0.227  -5.846   0.869
  198   1HB   LYS  30          2HB       LYS  30  -2.159  -4.658   0.172
  199   2HB   LYS  30          1HB       LYS  30  -1.724  -5.498  -1.318
  200   1HG   LYS  30          2HG       LYS  30  -1.196  -7.504   0.295
  201   2HG   LYS  30          1HG       LYS  30  -2.252  -6.639   1.411
  202   1HD   LYS  30          2HD       LYS  30  -4.119  -6.839   0.005
  203   2HD   LYS  30          1HD       LYS  30  -3.128  -7.139  -1.425
  204   1HE   LYS  30          2HE       LYS  30  -2.649  -9.369  -0.770
  205   2HE   LYS  30          1HE       LYS  30  -3.157  -9.074   0.904
  206   1HZ   LYS  30          1HZ       LYS  30  -4.933  -8.921  -1.478
  207   2HZ   LYS  30          2HZ       LYS  30  -5.402  -8.676   0.137
  208   3HZ   LYS  30          3HZ       LYS  30  -4.890 -10.212  -0.379
  209    H    VAL  31           H        VAL  31   1.360  -7.259  -0.485
  210    HA   VAL  31           HA       VAL  31   3.044  -6.194  -2.536
  211    HB   VAL  31           HB       VAL  31   3.375  -8.242  -1.071
  212   1HG1  VAL  31          1HG1      VAL  31   1.730  -9.676  -3.162
  213   2HG1  VAL  31          2HG1      VAL  31   1.030  -9.135  -1.637
  214   3HG1  VAL  31          3HG1      VAL  31   2.346 -10.308  -1.636
  215   1HG2  VAL  31          1HG2      VAL  31   3.686  -8.568  -4.071
  216   2HG2  VAL  31          2HG2      VAL  31   4.536  -9.525  -2.858
  217   3HG2  VAL  31          3HG2      VAL  31   4.838  -7.792  -2.984
  218    H    LEU  32           H        LEU  32   2.805  -6.095  -4.753
  219    HA   LEU  32           HA       LEU  32   0.112  -6.482  -5.869
  220   1HB   LEU  32          2HB       LEU  32   1.807  -4.569  -6.274
  221   2HB   LEU  32          1HB       LEU  32   2.641  -5.709  -7.331
  222    HG   LEU  32           HG       LEU  32   0.195  -6.051  -8.317
  223   1HD1  LEU  32          1HD1      LEU  32  -1.065  -3.934  -8.307
  224   2HD1  LEU  32          2HD1      LEU  32   0.139  -3.214  -7.239
  225   3HD1  LEU  32          3HD1      LEU  32  -0.867  -4.545  -6.665
  226   1HD2  LEU  32          1HD2      LEU  32   0.741  -4.386 -10.032
  227   2HD2  LEU  32          2HD2      LEU  32   2.208  -5.232  -9.537
  228   3HD2  LEU  32          3HD2      LEU  32   1.883  -3.605  -8.938
  229    H    LEU  33           H        LEU  33   3.347  -7.907  -6.265
  230    HA   LEU  33           HA       LEU  33   2.348  -9.857  -8.257
  231   1HB   LEU  33          1HB       LEU  33   5.036  -9.243  -6.992
  232   2HB   LEU  33          2HB       LEU  33   4.801 -10.534  -8.171
  233    HG   LEU  33           HG       LEU  33   3.552  -8.273  -9.291
  234   1HD1  LEU  33          1HD1      LEU  33   4.958  -7.052  -7.495
  235   2HD1  LEU  33          2HD1      LEU  33   6.356  -7.522  -8.462
  236   3HD1  LEU  33          3HD1      LEU  33   5.106  -6.493  -9.162
  237   1HD2  LEU  33          1HD2      LEU  33   4.795 -10.083 -10.462
  238   2HD2  LEU  33          2HD2      LEU  33   5.334  -8.482 -10.967
  239   3HD2  LEU  33          3HD2      LEU  33   6.308  -9.425  -9.838
  240   1HN   NH2  34          1HN       NH2  34   4.117 -12.139  -5.510
  241   2HN   NH2  34          2HN       NH2  34   4.829 -10.932  -6.603
  Start of MODEL   14
    1   1H    GLU   1          1H        GLU   1  11.241   5.361   0.418
    2   2H    GLU   1          2H        GLU   1  12.569   4.716   1.260
    3   3H    GLU   1          3H        GLU   1  12.212   6.372   1.374
    4    HA   GLU   1           HA       GLU   1  11.494   5.215   3.384
    5   1HB   GLU   1          2HB       GLU   1   9.860   6.728   1.474
    6   2HB   GLU   1          1HB       GLU   1   8.883   5.802   2.614
    7   1HG   GLU   1          2HG       GLU   1   9.226   7.783   3.800
    8   2HG   GLU   1          1HG       GLU   1  10.545   6.779   4.402
    9    H    CYS   2           H        CYS   2  10.245   3.533   4.322
   10    HA   CYS   2           HA       CYS   2   9.061   1.525   2.433
   11   1HB   CYS   2          2HB       CYS   2  11.263   0.773   3.109
   12   2HB   CYS   2          1HB       CYS   2  10.923   1.147   4.799
   13    H    LYS   3           H        LYS   3   7.004   0.935   3.035
   14    HA   LYS   3           HA       LYS   3   6.102   1.644   5.808
   15   1HB   LYS   3          2HB       LYS   3   4.973   1.931   3.075
   16   2HB   LYS   3          1HB       LYS   3   3.826   1.481   4.339
   17   1HG   LYS   3          2HG       LYS   3   4.380   3.411   5.652
   18   2HG   LYS   3          1HG       LYS   3   5.767   3.785   4.628
   19   1HD   LYS   3          2HD       LYS   3   4.448   4.597   2.897
   20   2HD   LYS   3          1HD       LYS   3   3.047   3.637   3.377
   21   1HE   LYS   3          2HE       LYS   3   3.103   5.135   5.544
   22   2HE   LYS   3          1HE       LYS   3   4.030   6.244   4.515
   23   1HZ   LYS   3          1HZ       LYS   3   1.388   5.047   3.852
   24   2HZ   LYS   3          2HZ       LYS   3   2.292   6.058   2.828
   25   3HZ   LYS   3          3HZ       LYS   3   1.662   6.663   4.285
   26    H    GLY   4           H        GLY   4   4.574   0.155   6.803
   27   1HA   GLY   4          2HA       GLY   4   5.056  -2.654   5.991
   28   2HA   GLY   4          1HA       GLY   4   4.390  -2.127   7.535
   29    H    PHE   5           H        PHE   5   2.952  -4.069   6.637
   30    HA   PHE   5           HA       PHE   5   0.927  -3.380   4.658
   31   1HB   PHE   5          2HB       PHE   5   1.532  -5.674   4.963
   32   2HB   PHE   5          1HB       PHE   5   1.331  -5.570   6.711
   33    HD1  PHE   5           HD1      PHE   5  -0.587  -5.222   3.513
   34    HD2  PHE   5           HD2      PHE   5  -0.705  -6.192   7.694
   35    HE1  PHE   5           HE1      PHE   5  -2.957  -5.918   3.284
   36    HE2  PHE   5           HE2      PHE   5  -3.073  -6.888   7.467
   37    HZ   PHE   5           HZ       PHE   5  -4.200  -6.750   5.261
   38    H    GLY   6           H        GLY   6  -1.174  -2.617   5.045
   39   1HA   GLY   6          2HA       GLY   6  -3.071  -2.002   6.362
   40   2HA   GLY   6          1HA       GLY   6  -2.139  -2.327   7.821
   41    H    LYS   7           H        LYS   7  -0.289  -0.453   5.690
   42    HA   LYS   7           HA       LYS   7  -0.719   1.955   7.364
   43   1HB   LYS   7          2HB       LYS   7   1.538   0.987   6.836
   44   2HB   LYS   7          1HB       LYS   7   1.257   1.355   5.135
   45   1HG   LYS   7          2HG       LYS   7   2.503   3.202   5.927
   46   2HG   LYS   7          1HG       LYS   7   0.837   3.779   5.921
   47   1HD   LYS   7          2HD       LYS   7   0.779   2.915   8.382
   48   2HD   LYS   7          1HD       LYS   7   2.539   2.956   8.265
   49   1HE   LYS   7          2HE       LYS   7   2.353   5.364   7.500
   50   2HE   LYS   7          1HE       LYS   7   0.625   5.286   7.899
   51   1HZ   LYS   7          1HZ       LYS   7   2.854   4.642   9.763
   52   2HZ   LYS   7          2HZ       LYS   7   1.197   4.583  10.135
   53   3HZ   LYS   7          3HZ       LYS   7   1.941   6.071   9.789
   54    H    SER   8           H        SER   8  -1.987   3.625   6.643
   55    HA   SER   8           HA       SER   8  -3.611   3.639   4.379
   56   1HB   SER   8          2HB       SER   8  -3.414   5.196   6.471
   57   2HB   SER   8          1HB       SER   8  -2.365   6.170   5.444
   58    HG   SER   8           HG       SER   8  -4.890   6.364   5.507
   59    H    CYS   9           H        CYS   9  -3.270   3.956   2.206
   60    HA   CYS   9           HA       CYS   9  -1.033   5.586   1.206
   61   1HB   CYS   9          2HB       CYS   9   0.031   3.437   1.749
   62   2HB   CYS   9          1HB       CYS   9  -1.182   2.579   0.799
   63    H    VAL  10           H        VAL  10  -1.262   6.037  -1.069
   64    HA   VAL  10           HA       VAL  10  -3.983   5.461  -2.157
   65    HB   VAL  10           HB       VAL  10  -1.816   7.497  -2.778
   66   1HG1  VAL  10          1HG1      VAL  10  -3.611   8.516  -4.264
   67   2HG1  VAL  10          2HG1      VAL  10  -4.483   6.990  -4.121
   68   3HG1  VAL  10          3HG1      VAL  10  -2.889   7.027  -4.874
   69   1HG2  VAL  10          1HG2      VAL  10  -4.603   8.207  -1.972
   70   2HG2  VAL  10          2HG2      VAL  10  -3.081   9.009  -1.580
   71   3HG2  VAL  10          3HG2      VAL  10  -3.550   7.540  -0.724
   72    HA   PRO  11           HA       PRO  11  -2.032   2.601  -4.962
   73   1HB   PRO  11          2HB       PRO  11  -4.176   2.206  -6.615
   74   2HB   PRO  11          1HB       PRO  11  -4.049   1.470  -5.005
   75   1HG   PRO  11          2HG       PRO  11  -5.589   3.863  -5.873
   76   2HG   PRO  11          1HG       PRO  11  -6.033   2.591  -4.726
   77   1HD   PRO  11          2HD       PRO  11  -5.158   5.059  -3.971
   78   2HD   PRO  11          1HD       PRO  11  -4.939   3.596  -2.986
   79    H    GLY  12           H        GLY  12  -0.813   2.988  -6.801
   80   1HA   GLY  12          2HA       GLY  12  -0.871   3.857  -9.182
   81   2HA   GLY  12          1HA       GLY  12  -1.593   5.321  -8.514
   82    H    LYS  13           H        LYS  13  -0.012   5.712  -6.247
   83    HA   LYS  13           HA       LYS  13   2.511   6.644  -7.486
   84   1HB   LYS  13          2HB       LYS  13   0.913   7.130  -5.002
   85   2HB   LYS  13          1HB       LYS  13   2.635   7.506  -4.953
   86   1HG   LYS  13          2HG       LYS  13   2.211   8.761  -7.183
   87   2HG   LYS  13          1HG       LYS  13   0.506   8.680  -6.737
   88   1HD   LYS  13          2HD       LYS  13   2.431   9.620  -4.655
   89   2HD   LYS  13          1HD       LYS  13   2.059  10.724  -5.979
   90   1HE   LYS  13          2HE       LYS  13  -0.405  10.319  -5.500
   91   2HE   LYS  13          1HE       LYS  13   0.103   9.472  -4.025
   92   1HZ   LYS  13          1HZ       LYS  13  -0.253  11.806  -3.553
   93   2HZ   LYS  13          2HZ       LYS  13   0.826  12.256  -4.785
   94   3HZ   LYS  13          3HZ       LYS  13   1.396  11.440  -3.408
   95    H    ASN  14           H        ASN  14   1.415   4.029  -5.460
   96    HA   ASN  14           HA       ASN  14   2.552   2.248  -4.433
   97   1HB   ASN  14          2HB       ASN  14   4.690   3.289  -6.324
   98   2HB   ASN  14          1HB       ASN  14   4.806   1.764  -5.449
   99   1HD2  ASN  14          1HD2      ASN  14   3.566   3.236  -8.303
  100   2HD2  ASN  14          2HD2      ASN  14   2.613   1.933  -8.827
  101    H    GLU  15           H        GLU  15   2.401   3.689  -2.466
  102    HA   GLU  15           HA       GLU  15   5.008   4.884  -1.641
  103   1HB   GLU  15          2HB       GLU  15   2.316   5.655  -1.475
  104   2HB   GLU  15          1HB       GLU  15   2.741   5.188   0.172
  105   1HG   GLU  15          2HG       GLU  15   4.618   6.923  -1.407
  106   2HG   GLU  15          1HG       GLU  15   3.203   7.645  -0.637
  107    H    CYS  16           H        CYS  16   4.926   2.037  -1.684
  108    HA   CYS  16           HA       CYS  16   5.034   1.431   1.251
  109   1HB   CYS  16          2HB       CYS  16   3.595   0.098  -1.008
  110   2HB   CYS  16          1HB       CYS  16   4.270  -0.935   0.252
  111    H    CYS  17           H        CYS  17   6.243  -0.847   1.450
  112    HA   CYS  17           HA       CYS  17   8.905  -0.493   0.337
  113   1HB   CYS  17          2HB       CYS  17   7.681  -1.795   2.482
  114   2HB   CYS  17          1HB       CYS  17   8.280  -3.114   1.476
  115    H    SER  18           H        SER  18  10.021  -2.379  -0.815
  116    HA   SER  18           HA       SER  18   8.778  -2.975  -3.316
  117   1HB   SER  18          2HB       SER  18  11.137  -4.038  -1.761
  118   2HB   SER  18          1HB       SER  18  10.720  -4.716  -3.331
  119    HG   SER  18           HG       SER  18  11.193  -2.838  -4.282
  120    H    GLY  19           H        GLY  19   7.228  -4.482  -3.784
  121   1HA   GLY  19          2HA       GLY  19   6.442  -6.802  -3.743
  122   2HA   GLY  19          1HA       GLY  19   7.058  -6.940  -2.097
  123    H    TYR  20           H        TYR  20   5.947  -4.300  -1.302
  124    HA   TYR  20           HA       TYR  20   3.144  -5.192  -0.839
  125   1HB   TYR  20          2HB       TYR  20   4.831  -2.965   0.363
  126   2HB   TYR  20          1HB       TYR  20   3.245  -3.470   0.942
  127    HD1  TYR  20           HD1      TYR  20   2.936  -5.670   2.027
  128    HD2  TYR  20           HD2      TYR  20   6.811  -4.307   0.771
  129    HE1  TYR  20           HE1      TYR  20   4.004  -7.427   3.412
  130    HE2  TYR  20           HE2      TYR  20   7.880  -6.065   2.154
  131    HH   TYR  20           HH       TYR  20   6.837  -7.448   4.492
  132    H    ALA  21           H        ALA  21   1.546  -4.306  -2.089
  133    HA   ALA  21           HA       ALA  21   2.078  -1.694  -3.469
  134   1HB   ALA  21          1HB       ALA  21   1.737  -3.743  -4.852
  135   2HB   ALA  21          2HB       ALA  21   0.476  -2.542  -5.131
  136   3HB   ALA  21          3HB       ALA  21   0.146  -3.948  -4.118
  137    H    CYS  22           H        CYS  22   0.344  -0.135  -3.519
  138    HA   CYS  22           HA       CYS  22  -1.402  -0.219  -1.132
  139   1HB   CYS  22          2HB       CYS  22  -0.913   1.890  -3.262
  140   2HB   CYS  22          1HB       CYS  22  -1.778   2.148  -1.746
  141    H    ASN  23           H        ASN  23  -3.653  -0.346  -1.222
  142    HA   ASN  23           HA       ASN  23  -4.853  -0.937  -3.908
  143   1HB   ASN  23          2HB       ASN  23  -4.725  -2.616  -1.925
  144   2HB   ASN  23          1HB       ASN  23  -5.997  -1.633  -1.201
  145   1HD2  ASN  23          1HD2      ASN  23  -5.252  -3.329  -4.305
  146   2HD2  ASN  23          2HD2      ASN  23  -6.864  -3.753  -4.624
  147    H    SER  24           H        SER  24  -7.173  -0.234  -4.137
  148    HA   SER  24           HA       SER  24  -7.560   2.490  -2.990
  149   1HB   SER  24          2HB       SER  24  -7.655   1.657  -5.511
  150   2HB   SER  24          1HB       SER  24  -9.310   1.235  -5.078
  151    HG   SER  24           HG       SER  24  -9.496   3.302  -5.664
  152    H    ARG  25           H        ARG  25  -8.949  -0.747  -2.910
  153    HA   ARG  25           HA       ARG  25 -11.579  -0.113  -1.964
  154   1HB   ARG  25          2HB       ARG  25 -10.285  -2.337  -2.746
  155   2HB   ARG  25          1HB       ARG  25 -10.130  -2.547  -1.002
  156   1HG   ARG  25          2HG       ARG  25 -12.249  -3.297  -0.927
  157   2HG   ARG  25          1HG       ARG  25 -12.807  -1.725  -1.502
  158   1HD   ARG  25          2HD       ARG  25 -11.681  -3.549  -3.575
  159   2HD   ARG  25          1HD       ARG  25 -13.256  -3.998  -2.891
  160    HE   ARG  25           HE       ARG  25 -12.889  -1.173  -3.731
  161   1HH1  ARG  25          2HH1      ARG  25 -15.565  -2.456  -3.137
  162   2HH1  ARG  25          1HH1      ARG  25 -16.181  -2.735  -4.732
  163   1HH2  ARG  25          1HH2      ARG  25 -13.097  -2.327  -6.282
  164   2HH2  ARG  25          2HH2      ARG  25 -14.781  -2.661  -6.517
  165    H    ASP  26           H        ASP  26  -8.610  -0.990  -0.142
  166    HA   ASP  26           HA       ASP  26  -9.885  -0.037   2.382
  167   1HB   ASP  26          2HB       ASP  26  -8.424  -2.252   1.764
  168   2HB   ASP  26          1HB       ASP  26  -7.146  -1.180   2.333
  169    H    LYS  27           H        LYS  27  -7.761   1.077  -0.070
  170    HA   LYS  27           HA       LYS  27  -6.370   2.964  -0.247
  171   1HB   LYS  27          2HB       LYS  27  -8.027   3.694   2.193
  172   2HB   LYS  27          1HB       LYS  27  -7.042   4.832   1.276
  173   1HG   LYS  27          2HG       LYS  27  -8.368   4.144  -0.783
  174   2HG   LYS  27          1HG       LYS  27  -9.463   3.295   0.308
  175   1HD   LYS  27          2HD       LYS  27  -8.764   6.216   0.668
  176   2HD   LYS  27          1HD       LYS  27 -10.132   5.688  -0.312
  177   1HE   LYS  27          2HE       LYS  27  -9.852   4.623   2.491
  178   2HE   LYS  27          1HE       LYS  27 -10.524   6.245   2.234
  179   1HZ   LYS  27          1HZ       LYS  27 -12.285   4.606   2.133
  180   2HZ   LYS  27          2HZ       LYS  27 -11.455   3.734   0.935
  181   3HZ   LYS  27          3HZ       LYS  27 -12.057   5.288   0.597
  182    H    TRP  28           H        TRP  28  -5.141   0.766   1.018
  183    HA   TRP  28           HA       TRP  28  -3.217   2.179   2.774
  184   1HB   TRP  28          2HB       TRP  28  -3.506   0.652   4.601
  185   2HB   TRP  28          1HB       TRP  28  -5.105   1.225   4.154
  186    HD1  TRP  28           HD1      TRP  28  -4.424  -1.120   1.519
  187    HE1  TRP  28           HE1      TRP  28  -5.323  -3.472   2.054
  188    HE3  TRP  28           HE3      TRP  28  -5.212  -0.630   6.533
  189    HZ2  TRP  28           HZ2      TRP  28  -6.262  -4.953   4.315
  190    HZ3  TRP  28           HZ3      TRP  28  -6.112  -2.525   7.856
  191    HH2  TRP  28           HH2      TRP  28  -6.638  -4.682   6.752
  192    H    CYS  29           H        CYS  29  -1.653   0.087   3.574
  193    HA   CYS  29           HA       CYS  29  -0.411  -0.762   1.043
  194   1HB   CYS  29          2HB       CYS  29   0.614   0.120   3.315
  195   2HB   CYS  29          1HB       CYS  29   0.493  -1.574   3.791
  196    H    LYS  30           H        LYS  30  -0.236  -2.912   0.343
  197    HA   LYS  30           HA       LYS  30  -1.533  -5.041   1.989
  198   1HB   LYS  30          2HB       LYS  30  -3.007  -3.831   0.191
  199   2HB   LYS  30          1HB       LYS  30  -2.062  -4.771  -0.964
  200   1HG   LYS  30          2HG       LYS  30  -2.948  -6.430   1.253
  201   2HG   LYS  30          1HG       LYS  30  -4.315  -5.654   0.454
  202   1HD   LYS  30          2HD       LYS  30  -2.164  -6.934  -1.208
  203   2HD   LYS  30          1HD       LYS  30  -3.408  -7.943  -0.469
  204   1HE   LYS  30          2HE       LYS  30  -4.964  -5.967  -1.521
  205   2HE   LYS  30          1HE       LYS  30  -3.642  -6.002  -2.704
  206   1HZ   LYS  30          1HZ       LYS  30  -3.877  -8.395  -2.866
  207   2HZ   LYS  30          2HZ       LYS  30  -5.357  -7.646  -3.231
  208   3HZ   LYS  30          3HZ       LYS  30  -5.126  -8.384  -1.718
  209    H    VAL  31           H        VAL  31  -0.283  -6.877   1.977
  210    HA   VAL  31           HA       VAL  31   2.231  -7.000   0.588
  211    HB   VAL  31           HB       VAL  31   1.617  -8.120   2.748
  212   1HG1  VAL  31          1HG1      VAL  31  -0.650  -8.907   1.787
  213   2HG1  VAL  31          2HG1      VAL  31   0.229 -10.037   2.816
  214   3HG1  VAL  31          3HG1      VAL  31   0.264 -10.231   1.064
  215   1HG2  VAL  31          1HG2      VAL  31   2.929 -10.108   2.349
  216   2HG2  VAL  31          2HG2      VAL  31   3.560  -8.840   1.298
  217   3HG2  VAL  31          3HG2      VAL  31   2.517 -10.099   0.634
  218    H    LEU  32           H        LEU  32   2.757  -7.887  -1.388
  219    HA   LEU  32           HA       LEU  32   0.556  -9.224  -2.934
  220   1HB   LEU  32          2HB       LEU  32   1.601  -6.790  -3.425
  221   2HB   LEU  32          1HB       LEU  32   2.784  -7.770  -4.292
  222    HG   LEU  32           HG       LEU  32  -0.045  -8.517  -4.748
  223   1HD1  LEU  32          1HD1      LEU  32   1.107  -5.911  -5.794
  224   2HD1  LEU  32          2HD1      LEU  32  -0.253  -6.069  -4.683
  225   3HD1  LEU  32          3HD1      LEU  32  -0.398  -6.648  -6.342
  226   1HD2  LEU  32          1HD2      LEU  32   0.802  -8.686  -7.072
  227   2HD2  LEU  32          2HD2      LEU  32   1.845  -9.559  -5.948
  228   3HD2  LEU  32          3HD2      LEU  32   2.334  -7.978  -6.559
  229    H    LEU  33           H        LEU  33   1.185 -11.385  -2.660
  230    HA   LEU  33           HA       LEU  33   3.923 -12.102  -3.665
  231   1HB   LEU  33          1HB       LEU  33   2.364 -12.970  -1.236
  232   2HB   LEU  33          2HB       LEU  33   3.579 -14.042  -1.932
  233    HG   LEU  33           HG       LEU  33   4.248 -11.164  -1.351
  234   1HD1  LEU  33          1HD1      LEU  33   3.272 -12.269   0.711
  235   2HD1  LEU  33          2HD1      LEU  33   4.584 -13.443   0.618
  236   3HD1  LEU  33          3HD1      LEU  33   4.944 -11.736   0.882
  237   1HD2  LEU  33          1HD2      LEU  33   5.833 -13.751  -1.483
  238   2HD2  LEU  33          2HD2      LEU  33   5.829 -12.466  -2.692
  239   3HD2  LEU  33          3HD2      LEU  33   6.520 -12.173  -1.096
  240   1HN   NH2  34          1HN       NH2  34   1.652 -13.397  -6.043
  241   2HN   NH2  34          2HN       NH2  34   2.430 -11.915  -5.446
  Start of MODEL   15
    1   1H    GLU   1          1H        GLU   1   9.347   6.653   4.265
    2   2H    GLU   1          2H        GLU   1   9.559   8.025   3.287
    3   3H    GLU   1          3H        GLU   1  10.448   6.611   2.976
    4    HA   GLU   1           HA       GLU   1   7.502   6.936   2.675
    5   1HB   GLU   1          2HB       GLU   1   9.921   7.100   0.943
    6   2HB   GLU   1          1HB       GLU   1   8.522   6.278   0.254
    7   1HG   GLU   1          2HG       GLU   1   7.894   8.394  -0.325
    8   2HG   GLU   1          1HG       GLU   1   7.312   8.456   1.339
    9    H    CYS   2           H        CYS   2   7.568   4.988   4.250
   10    HA   CYS   2           HA       CYS   2   7.576   2.498   2.652
   11   1HB   CYS   2          2HB       CYS   2   9.873   2.598   3.356
   12   2HB   CYS   2          1HB       CYS   2   9.418   3.079   4.990
   13    H    LYS   3           H        LYS   3   5.677   1.522   3.221
   14    HA   LYS   3           HA       LYS   3   4.709   1.801   6.050
   15   1HB   LYS   3          2HB       LYS   3   3.437   2.031   3.366
   16   2HB   LYS   3          1HB       LYS   3   2.479   1.242   4.620
   17   1HG   LYS   3          2HG       LYS   3   3.073   3.240   6.115
   18   2HG   LYS   3          1HG       LYS   3   3.638   4.033   4.644
   19   1HD   LYS   3          2HD       LYS   3   1.118   2.958   3.991
   20   2HD   LYS   3          1HD       LYS   3   0.923   3.674   5.591
   21   1HE   LYS   3          2HE       LYS   3   2.506   5.435   3.917
   22   2HE   LYS   3          1HE       LYS   3   0.962   5.055   3.130
   23   1HZ   LYS   3          1HZ       LYS   3  -0.197   5.584   5.163
   24   2HZ   LYS   3          2HZ       LYS   3   0.758   6.911   4.702
   25   3HZ   LYS   3          3HZ       LYS   3   1.265   5.895   5.967
   26    H    GLY   4           H        GLY   4   4.046  -0.116   7.072
   27   1HA   GLY   4          2HA       GLY   4   5.044  -2.615   5.990
   28   2HA   GLY   4          1HA       GLY   4   4.143  -2.430   7.494
   29    H    PHE   5           H        PHE   5   3.302  -4.571   6.343
   30    HA   PHE   5           HA       PHE   5   1.327  -4.189   4.223
   31   1HB   PHE   5          2HB       PHE   5   2.561  -6.282   4.486
   32   2HB   PHE   5          1HB       PHE   5   1.965  -6.462   6.136
   33    HD1  PHE   5           HD1      PHE   5  -0.202  -7.355   6.590
   34    HD2  PHE   5           HD2      PHE   5   0.940  -6.402   2.560
   35    HE1  PHE   5           HE1      PHE   5  -2.224  -8.513   5.745
   36    HE2  PHE   5           HE2      PHE   5  -1.082  -7.563   1.715
   37    HZ   PHE   5           HZ       PHE   5  -2.664  -8.617   3.306
   38    H    GLY   6           H        GLY   6  -0.859  -3.781   4.495
   39   1HA   GLY   6          2HA       GLY   6  -2.946  -3.599   5.603
   40   2HA   GLY   6          1HA       GLY   6  -2.204  -4.288   7.047
   41    H    LYS   7           H        LYS   7  -0.932  -1.493   5.294
   42    HA   LYS   7           HA       LYS   7  -1.476   0.190   7.714
   43   1HB   LYS   7          2HB       LYS   7   0.889  -0.539   6.444
   44   2HB   LYS   7          1HB       LYS   7   0.574   1.075   5.810
   45   1HG   LYS   7          2HG       LYS   7   1.857   1.360   7.816
   46   2HG   LYS   7          1HG       LYS   7   0.201   1.828   8.201
   47   1HD   LYS   7          2HD       LYS   7  -0.197  -0.097   9.456
   48   2HD   LYS   7          1HD       LYS   7   1.060  -1.018   8.630
   49   1HE   LYS   7          2HE       LYS   7   1.755   1.372  10.352
   50   2HE   LYS   7          1HE       LYS   7   1.584  -0.253  11.043
   51   1HZ   LYS   7          1HZ       LYS   7   3.093  -1.019   9.198
   52   2HZ   LYS   7          2HZ       LYS   7   3.832  -0.058  10.389
   53   3HZ   LYS   7          3HZ       LYS   7   3.424   0.615   8.884
   54    H    SER   8           H        SER   8  -2.981   1.766   7.348
   55    HA   SER   8           HA       SER   8  -4.306   2.339   4.948
   56   1HB   SER   8          2HB       SER   8  -3.677   4.010   7.393
   57   2HB   SER   8          1HB       SER   8  -4.778   4.563   6.134
   58    HG   SER   8           HG       SER   8  -6.114   2.853   6.570
   59    H    CYS   9           H        CYS   9  -3.518   3.162   3.053
   60    HA   CYS   9           HA       CYS   9  -1.424   5.299   3.167
   61   1HB   CYS   9          2HB       CYS   9  -0.130   4.134   1.522
   62   2HB   CYS   9          1HB       CYS   9  -0.572   2.922   2.722
   63    H    VAL  10           H        VAL  10  -1.206   6.238   0.796
   64    HA   VAL  10           HA       VAL  10  -3.977   6.802  -0.164
   65    HB   VAL  10           HB       VAL  10  -1.304   8.186  -0.587
   66   1HG1  VAL  10          1HG1      VAL  10  -2.836  10.068  -1.388
   67   2HG1  VAL  10          2HG1      VAL  10  -4.120   8.861  -1.469
   68   3HG1  VAL  10          3HG1      VAL  10  -2.683   8.688  -2.477
   69   1HG2  VAL  10          1HG2      VAL  10  -3.599   8.564   1.323
   70   2HG2  VAL  10          2HG2      VAL  10  -2.648   9.960   0.818
   71   3HG2  VAL  10          3HG2      VAL  10  -1.866   8.614   1.646
   72    HA   PRO  11           HA       PRO  11  -2.765   4.125  -3.587
   73   1HB   PRO  11          2HB       PRO  11  -5.262   4.001  -4.708
   74   2HB   PRO  11          1HB       PRO  11  -4.770   3.005  -3.324
   75   1HG   PRO  11          2HG       PRO  11  -6.400   5.492  -3.382
   76   2HG   PRO  11          1HG       PRO  11  -6.578   4.048  -2.374
   77   1HD   PRO  11          2HD       PRO  11  -5.464   6.379  -1.493
   78   2HD   PRO  11          1HD       PRO  11  -5.063   4.781  -0.827
   79    H    GLY  12           H        GLY  12  -1.655   5.192  -5.181
   80   1HA   GLY  12          2HA       GLY  12  -2.321   6.294  -7.469
   81   2HA   GLY  12          1HA       GLY  12  -2.872   7.609  -6.430
   82    H    LYS  13           H        LYS  13  -0.844   7.611  -4.495
   83    HA   LYS  13           HA       LYS  13   1.456   8.634  -6.105
   84   1HB   LYS  13          2HB       LYS  13   0.152   9.213  -3.488
   85   2HB   LYS  13          1HB       LYS  13   1.893   9.479  -3.578
   86   1HG   LYS  13          2HG       LYS  13   1.280  10.700  -5.840
   87   2HG   LYS  13          1HG       LYS  13  -0.311  10.838  -5.091
   88   1HD   LYS  13          2HD       LYS  13   0.703  12.785  -4.323
   89   2HD   LYS  13          1HD       LYS  13   1.077  11.674  -3.007
   90   1HE   LYS  13          2HE       LYS  13   3.239  12.350  -3.365
   91   2HE   LYS  13          1HE       LYS  13   3.182  11.221  -4.732
   92   1HZ   LYS  13          1HZ       LYS  13   2.500  12.937  -6.188
   93   2HZ   LYS  13          2HZ       LYS  13   3.815  13.567  -5.314
   94   3HZ   LYS  13          3HZ       LYS  13   2.230  14.027  -4.914
   95    H    ASN  14           H        ASN  14   0.782   5.702  -5.002
   96    HA   ASN  14           HA       ASN  14   2.007   3.888  -4.133
   97   1HB   ASN  14          2HB       ASN  14   3.323   4.913  -6.151
   98   2HB   ASN  14          1HB       ASN  14   4.452   5.468  -4.915
   99   1HD2  ASN  14          1HD2      ASN  14   5.593   3.802  -3.638
  100   2HD2  ASN  14          2HD2      ASN  14   5.684   2.200  -4.192
  101    H    GLU  15           H        GLU  15   1.322   4.698  -1.913
  102    HA   GLU  15           HA       GLU  15   3.543   5.942  -0.350
  103   1HB   GLU  15          2HB       GLU  15   0.630   5.979  -0.365
  104   2HB   GLU  15          1HB       GLU  15   1.251   5.607   1.242
  105   1HG   GLU  15          2HG       GLU  15   2.479   7.854  -0.329
  106   2HG   GLU  15          1HG       GLU  15   0.956   8.117   0.521
  107    H    CYS  16           H        CYS  16   4.080   3.292  -1.071
  108    HA   CYS  16           HA       CYS  16   3.735   1.855   1.541
  109   1HB   CYS  16          2HB       CYS  16   3.463   0.864  -1.311
  110   2HB   CYS  16          1HB       CYS  16   3.626  -0.227   0.065
  111    H    CYS  17           H        CYS  17   5.396  -0.121   1.492
  112    HA   CYS  17           HA       CYS  17   8.067   1.060   1.017
  113   1HB   CYS  17          2HB       CYS  17   6.997  -0.377   3.030
  114   2HB   CYS  17          1HB       CYS  17   7.654  -1.702   2.071
  115    H    SER  18           H        SER  18   9.734  -0.820   0.288
  116    HA   SER  18           HA       SER  18   9.250  -1.365  -2.482
  117   1HB   SER  18          2HB       SER  18  11.441  -1.136  -1.168
  118   2HB   SER  18          1HB       SER  18  11.184  -2.798  -0.642
  119    HG   SER  18           HG       SER  18  12.454  -2.713  -2.528
  120    H    GLY  19           H        GLY  19   7.929  -2.923  -3.322
  121   1HA   GLY  19          2HA       GLY  19   7.352  -5.274  -3.608
  122   2HA   GLY  19          1HA       GLY  19   7.713  -5.535  -1.902
  123    H    TYR  20           H        TYR  20   6.195  -2.983  -1.215
  124    HA   TYR  20           HA       TYR  20   3.484  -4.228  -1.231
  125   1HB   TYR  20          2HB       TYR  20   4.759  -2.006   0.398
  126   2HB   TYR  20          1HB       TYR  20   3.116  -2.601   0.635
  127    HD1  TYR  20           HD1      TYR  20   6.649  -3.206   1.225
  128    HD2  TYR  20           HD2      TYR  20   2.745  -4.995   1.322
  129    HE1  TYR  20           HE1      TYR  20   7.522  -5.033   2.656
  130    HE2  TYR  20           HE2      TYR  20   3.618  -6.822   2.753
  131    HH   TYR  20           HH       TYR  20   6.554  -7.699   3.030
  132    H    ALA  21           H        ALA  21   1.635  -2.943  -1.797
  133    HA   ALA  21           HA       ALA  21   2.126  -0.316  -3.124
  134   1HB   ALA  21          1HB       ALA  21   2.278  -1.675  -5.010
  135   2HB   ALA  21          2HB       ALA  21   0.537  -1.398  -4.963
  136   3HB   ALA  21          3HB       ALA  21   1.209  -2.903  -4.334
  137    H    CYS  22           H        CYS  22   0.272   1.035  -3.080
  138    HA   CYS  22           HA       CYS  22  -1.686   0.578  -1.033
  139   1HB   CYS  22          2HB       CYS  22  -1.289   2.517  -3.301
  140   2HB   CYS  22          1HB       CYS  22  -2.769   2.578  -2.344
  141    H    ASN  23           H        ASN  23  -3.530  -0.651  -1.137
  142    HA   ASN  23           HA       ASN  23  -4.479  -1.588  -3.811
  143   1HB   ASN  23          2HB       ASN  23  -3.831  -2.997  -1.653
  144   2HB   ASN  23          1HB       ASN  23  -5.483  -2.608  -1.174
  145   1HD2  ASN  23          1HD2      ASN  23  -3.530  -4.417  -3.500
  146   2HD2  ASN  23          2HD2      ASN  23  -4.824  -5.262  -4.202
  147    H    SER  24           H        SER  24  -6.876  -1.719  -4.104
  148    HA   SER  24           HA       SER  24  -8.193   0.755  -3.130
  149   1HB   SER  24          2HB       SER  24  -8.086  -0.007  -5.545
  150   2HB   SER  24          1HB       SER  24  -9.148  -1.342  -5.102
  151    HG   SER  24           HG       SER  24 -10.773   0.007  -4.941
  152    H    ARG  25           H        ARG  25  -8.267  -2.681  -2.526
  153    HA   ARG  25           HA       ARG  25 -10.960  -3.033  -1.659
  154   1HB   ARG  25          2HB       ARG  25  -8.456  -4.433  -1.680
  155   2HB   ARG  25          1HB       ARG  25  -9.166  -4.595  -0.075
  156   1HG   ARG  25          2HG       ARG  25 -10.549  -6.165  -0.900
  157   2HG   ARG  25          1HG       ARG  25 -11.300  -4.920  -1.898
  158   1HD   ARG  25          2HD       ARG  25  -8.991  -5.473  -3.314
  159   2HD   ARG  25          1HD       ARG  25  -9.453  -7.069  -2.689
  160    HE   ARG  25           HE       ARG  25 -11.075  -5.392  -4.507
  161   1HH1  ARG  25          1HH2      ARG  25 -10.613  -8.260  -5.080
  162   2HH1  ARG  25          2HH2      ARG  25 -12.083  -9.003  -4.546
  163   1HH2  ARG  25          2HH1      ARG  25 -13.084  -6.271  -2.646
  164   2HH2  ARG  25          1HH1      ARG  25 -13.486  -7.874  -3.165
  165    H    ASP  26           H        ASP  26  -8.045  -2.344   0.336
  166    HA   ASP  26           HA       ASP  26  -9.880  -1.223   2.437
  167   1HB   ASP  26          2HB       ASP  26  -7.401  -2.929   2.509
  168   2HB   ASP  26          1HB       ASP  26  -7.845  -1.956   3.911
  169    H    LYS  27           H        LYS  27  -7.856  -0.159   0.097
  170    HA   LYS  27           HA       LYS  27  -6.521   1.764  -0.189
  171   1HB   LYS  27          2HB       LYS  27  -8.742   2.293   1.505
  172   2HB   LYS  27          1HB       LYS  27  -7.369   3.168   2.184
  173   1HG   LYS  27          2HG       LYS  27  -6.914   4.187  -0.009
  174   2HG   LYS  27          1HG       LYS  27  -8.262   3.294  -0.712
  175   1HD   LYS  27          2HD       LYS  27  -9.412   5.212  -0.227
  176   2HD   LYS  27          1HD       LYS  27  -9.532   4.471   1.369
  177   1HE   LYS  27          2HE       LYS  27  -7.633   5.735   2.182
  178   2HE   LYS  27          1HE       LYS  27  -7.283   6.344   0.552
  179   1HZ   LYS  27          1HZ       LYS  27  -8.621   7.896   1.956
  180   2HZ   LYS  27          2HZ       LYS  27  -9.879   6.754   1.939
  181   3HZ   LYS  27          3HZ       LYS  27  -9.360   7.473   0.489
  182    H    TRP  28           H        TRP  28  -5.210  -0.367   1.156
  183    HA   TRP  28           HA       TRP  28  -3.418   1.167   2.999
  184   1HB   TRP  28          2HB       TRP  28  -3.288  -0.864   4.408
  185   2HB   TRP  28          1HB       TRP  28  -4.935  -0.266   4.289
  186    HD1  TRP  28           HD1      TRP  28  -4.035  -2.010   1.141
  187    HE1  TRP  28           HE1      TRP  28  -5.027  -4.383   1.112
  188    HE3  TRP  28           HE3      TRP  28  -5.409  -2.443   6.036
  189    HZ2  TRP  28           HZ2      TRP  28  -6.244  -6.227   2.925
  190    HZ3  TRP  28           HZ3      TRP  28  -6.483  -4.519   6.859
  191    HH2  TRP  28           HH2      TRP  28  -6.903  -6.410   5.311
  192    H    CYS  29           H        CYS  29  -1.392  -0.547   3.405
  193    HA   CYS  29           HA       CYS  29  -0.219  -0.833   0.708
  194   1HB   CYS  29          2HB       CYS  29   0.742  -0.906   3.562
  195   2HB   CYS  29          1HB       CYS  29   1.790  -1.471   2.261
  196    H    LYS  30           H        LYS  30  -0.757  -2.712  -0.321
  197    HA   LYS  30           HA       LYS  30  -0.763  -5.268   1.247
  198   1HB   LYS  30          2HB       LYS  30  -2.786  -4.278  -0.122
  199   2HB   LYS  30          1HB       LYS  30  -1.897  -4.888  -1.518
  200   1HG   LYS  30          2HG       LYS  30  -1.737  -7.100  -0.126
  201   2HG   LYS  30          1HG       LYS  30  -3.093  -6.422   0.775
  202   1HD   LYS  30          2HD       LYS  30  -3.754  -6.002  -1.915
  203   2HD   LYS  30          1HD       LYS  30  -3.067  -7.626  -1.872
  204   1HE   LYS  30          2HE       LYS  30  -4.760  -8.455  -0.527
  205   2HE   LYS  30          1HE       LYS  30  -5.024  -6.895   0.276
  206   1HZ   LYS  30          1HZ       LYS  30  -5.663  -7.471  -2.571
  207   2HZ   LYS  30          2HZ       LYS  30  -5.964  -6.016  -1.747
  208   3HZ   LYS  30          3HZ       LYS  30  -6.803  -7.428  -1.316
  209    H    VAL  31           H        VAL  31   0.268  -7.133   0.170
  210    HA   VAL  31           HA       VAL  31   2.834  -6.590  -0.962
  211    HB   VAL  31           HB       VAL  31   1.105  -9.087  -1.132
  212   1HG1  VAL  31          1HG1      VAL  31   2.948  -9.400  -2.596
  213   2HG1  VAL  31          2HG1      VAL  31   3.457 -10.155  -1.085
  214   3HG1  VAL  31          3HG1      VAL  31   4.055  -8.552  -1.515
  215   1HG2  VAL  31          1HG2      VAL  31   1.255  -8.687   1.166
  216   2HG2  VAL  31          2HG2      VAL  31   2.822  -7.888   1.026
  217   3HG2  VAL  31          3HG2      VAL  31   2.711  -9.643   0.892
  218    H    LEU  32           H        LEU  32   3.580  -6.857  -3.153
  219    HA   LEU  32           HA       LEU  32   1.989  -5.747  -5.216
  220   1HB   LEU  32          2HB       LEU  32   4.568  -6.180  -4.908
  221   2HB   LEU  32          1HB       LEU  32   4.221  -7.685  -5.758
  222    HG   LEU  32           HG       LEU  32   2.966  -6.129  -7.454
  223   1HD1  LEU  32          1HD1      LEU  32   3.494  -3.876  -7.465
  224   2HD1  LEU  32          2HD1      LEU  32   5.031  -4.123  -6.637
  225   3HD1  LEU  32          3HD1      LEU  32   3.521  -4.175  -5.727
  226   1HD2  LEU  32          1HD2      LEU  32   5.761  -6.943  -7.162
  227   2HD2  LEU  32          2HD2      LEU  32   5.585  -5.515  -8.181
  228   3HD2  LEU  32          3HD2      LEU  32   4.723  -6.999  -8.586
  229    H    LEU  33           H        LEU  33   2.881  -9.181  -4.745
  230    HA   LEU  33           HA       LEU  33   0.289 -10.007  -5.932
  231   1HB   LEU  33          1HB       LEU  33   1.447 -11.414  -7.606
  232   2HB   LEU  33          2HB       LEU  33   1.854  -9.713  -7.819
  233    HG   LEU  33           HG       LEU  33   3.724 -10.795  -5.965
  234   1HD1  LEU  33          1HD1      LEU  33   3.252 -12.508  -8.417
  235   2HD1  LEU  33          2HD1      LEU  33   4.764 -12.521  -7.510
  236   3HD1  LEU  33          3HD1      LEU  33   3.265 -13.027  -6.732
  237   1HD2  LEU  33          1HD2      LEU  33   3.684  -9.100  -8.145
  238   2HD2  LEU  33          2HD2      LEU  33   5.139  -9.614  -7.292
  239   3HD2  LEU  33          3HD2      LEU  33   4.621 -10.466  -8.747
  240   1HN   NH2  34          1HN       NH2  34   0.315 -12.181  -3.356
  241   2HN   NH2  34          2HN       NH2  34  -0.313 -10.746  -4.195
  Start of MODEL   16
    1   1H    GLU   1          1H        GLU   1   9.817   7.725   4.441
    2   2H    GLU   1          2H        GLU   1   8.936   9.137   4.780
    3   3H    GLU   1          3H        GLU   1   8.775   8.373   3.270
    4    HA   GLU   1           HA       GLU   1   7.901   7.270   5.897
    5   1HB   GLU   1          2HB       GLU   1   6.763   9.033   3.903
    6   2HB   GLU   1          1HB       GLU   1   5.825   7.543   3.987
    7   1HG   GLU   1          2HG       GLU   1   4.822   8.839   5.657
    8   2HG   GLU   1          1HG       GLU   1   5.987   7.891   6.580
    9    H    CYS   2           H        CYS   2   7.451   5.084   5.868
   10    HA   CYS   2           HA       CYS   2   7.308   3.654   3.248
   11   1HB   CYS   2          2HB       CYS   2   9.613   3.477   3.835
   12   2HB   CYS   2          1HB       CYS   2   9.239   3.232   5.540
   13    H    LYS   3           H        LYS   3   5.531   2.334   3.312
   14    HA   LYS   3           HA       LYS   3   4.397   1.566   5.970
   15   1HB   LYS   3          2HB       LYS   3   3.377   2.017   3.187
   16   2HB   LYS   3          1HB       LYS   3   2.482   0.912   4.229
   17   1HG   LYS   3          2HG       LYS   3   1.680   2.598   5.508
   18   2HG   LYS   3          1HG       LYS   3   3.254   3.389   5.594
   19   1HD   LYS   3          2HD       LYS   3   2.897   4.620   3.650
   20   2HD   LYS   3          1HD       LYS   3   1.722   3.468   3.014
   21   1HE   LYS   3          2HE       LYS   3   0.030   4.215   4.575
   22   2HE   LYS   3          1HE       LYS   3   1.208   5.213   5.449
   23   1HZ   LYS   3          1HZ       LYS   3  -0.127   6.463   3.779
   24   2HZ   LYS   3          2HZ       LYS   3   0.595   5.529   2.558
   25   3HZ   LYS   3          3HZ       LYS   3   1.547   6.553   3.524
   26    H    GLY   4           H        GLY   4   3.570  -0.677   6.177
   27   1HA   GLY   4          2HA       GLY   4   5.246  -2.615   4.634
   28   2HA   GLY   4          1HA       GLY   4   4.667  -2.890   6.277
   29    H    PHE   5           H        PHE   5   3.753  -4.921   5.405
   30    HA   PHE   5           HA       PHE   5   1.587  -4.800   3.440
   31   1HB   PHE   5          2HB       PHE   5   3.195  -6.709   3.848
   32   2HB   PHE   5          1HB       PHE   5   2.371  -7.001   5.378
   33    HD1  PHE   5           HD1      PHE   5  -0.082  -7.593   5.375
   34    HD2  PHE   5           HD2      PHE   5   2.256  -7.433   1.774
   35    HE1  PHE   5           HE1      PHE   5  -1.810  -8.921   4.194
   36    HE2  PHE   5           HE2      PHE   5   0.526  -8.762   0.594
   37    HZ   PHE   5           HZ       PHE   5  -1.507  -9.505   1.803
   38    H    GLY   6           H        GLY   6  -0.612  -4.672   3.882
   39   1HA   GLY   6          2HA       GLY   6  -2.607  -4.561   5.125
   40   2HA   GLY   6          1HA       GLY   6  -1.739  -5.261   6.492
   41    H    LYS   7           H        LYS   7  -0.559  -2.351   4.904
   42    HA   LYS   7           HA       LYS   7  -1.169  -0.824   7.404
   43   1HB   LYS   7          2HB       LYS   7   1.203  -1.311   6.320
   44   2HB   LYS   7          1HB       LYS   7   0.765   0.045   5.279
   45   1HG   LYS   7          2HG       LYS   7   1.874   1.079   7.081
   46   2HG   LYS   7          1HG       LYS   7   0.168   1.272   7.484
   47   1HD   LYS   7          2HD       LYS   7   0.637   0.277   9.454
   48   2HD   LYS   7          1HD       LYS   7   0.832  -1.222   8.546
   49   1HE   LYS   7          2HE       LYS   7   2.911  -1.093   9.609
   50   2HE   LYS   7          1HE       LYS   7   3.274  -0.225   8.105
   51   1HZ   LYS   7          1HZ       LYS   7   2.339   1.020  10.640
   52   2HZ   LYS   7          2HZ       LYS   7   2.666   1.850   9.193
   53   3HZ   LYS   7          3HZ       LYS   7   3.923   1.083  10.040
   54    H    SER   8           H        SER   8  -2.943   0.478   7.161
   55    HA   SER   8           HA       SER   8  -4.303   1.173   4.814
   56   1HB   SER   8          2HB       SER   8  -4.784   1.523   7.369
   57   2HB   SER   8          1HB       SER   8  -4.021   3.092   7.122
   58    HG   SER   8           HG       SER   8  -6.463   2.661   6.728
   59    H    CYS   9           H        CYS   9  -3.652   2.360   3.071
   60    HA   CYS   9           HA       CYS   9  -1.836   4.700   3.504
   61   1HB   CYS   9          2HB       CYS   9  -0.477   3.952   1.632
   62   2HB   CYS   9          1HB       CYS   9  -0.626   2.612   2.767
   63    H    VAL  10           H        VAL  10  -1.682   5.748   1.048
   64    HA   VAL  10           HA       VAL  10  -4.536   6.128   0.194
   65    HB   VAL  10           HB       VAL  10  -2.142   8.002   0.100
   66   1HG1  VAL  10          1HG1      VAL  10  -3.815   8.414  -1.685
   67   2HG1  VAL  10          2HG1      VAL  10  -3.803   9.718  -0.497
   68   3HG1  VAL  10          3HG1      VAL  10  -5.083   8.505  -0.462
   69   1HG2  VAL  10          1HG2      VAL  10  -4.401   7.603   2.046
   70   2HG2  VAL  10          2HG2      VAL  10  -3.740   9.221   1.809
   71   3HG2  VAL  10          3HG2      VAL  10  -2.695   7.915   2.371
   72    HA   PRO  11           HA       PRO  11  -2.733   4.298  -3.528
   73   1HB   PRO  11          2HB       PRO  11  -5.132   3.842  -4.773
   74   2HB   PRO  11          1HB       PRO  11  -4.461   2.758  -3.538
   75   1HG   PRO  11          2HG       PRO  11  -6.576   4.834  -3.288
   76   2HG   PRO  11          1HG       PRO  11  -6.462   3.239  -2.528
   77   1HD   PRO  11          2HD       PRO  11  -5.877   5.571  -1.235
   78   2HD   PRO  11          1HD       PRO  11  -5.150   4.004  -0.815
   79    H    GLY  12           H        GLY  12  -2.419   5.183  -5.637
   80   1HA   GLY  12          2HA       GLY  12  -3.023   6.691  -7.461
   81   2HA   GLY  12          1HA       GLY  12  -3.926   7.671  -6.307
   82    H    LYS  13           H        LYS  13  -2.101   8.030  -4.267
   83    HA   LYS  13           HA       LYS  13  -0.151   9.860  -5.537
   84   1HB   LYS  13          2HB       LYS  13  -1.512   9.482  -2.947
   85   2HB   LYS  13          1HB       LYS  13   0.165  10.008  -2.797
   86   1HG   LYS  13          2HG       LYS  13  -0.855  12.069  -3.027
   87   2HG   LYS  13          1HG       LYS  13  -0.569  11.698  -4.727
   88   1HD   LYS  13          2HD       LYS  13  -2.782  11.805  -5.109
   89   2HD   LYS  13          1HD       LYS  13  -3.027  10.458  -3.999
   90   1HE   LYS  13          2HE       LYS  13  -4.311  12.100  -2.948
   91   2HE   LYS  13          1HE       LYS  13  -2.746  12.390  -2.165
   92   1HZ   LYS  13          1HZ       LYS  13  -2.218  14.003  -3.889
   93   2HZ   LYS  13          2HZ       LYS  13  -3.653  14.441  -3.092
   94   3HZ   LYS  13          3HZ       LYS  13  -3.718  13.734  -4.635
   95    H    ASN  14           H        ASN  14  -0.156   6.620  -4.485
   96    HA   ASN  14           HA       ASN  14   1.553   5.061  -4.075
   97   1HB   ASN  14          2HB       ASN  14   2.294   6.849  -6.126
   98   2HB   ASN  14          1HB       ASN  14   3.732   6.671  -5.121
   99   1HD2  ASN  14          1HD2      ASN  14   4.897   4.708  -5.293
  100   2HD2  ASN  14          2HD2      ASN  14   4.373   3.377  -6.207
  101    H    GLU  15           H        GLU  15   1.163   5.839  -1.730
  102    HA   GLU  15           HA       GLU  15   3.560   7.259  -0.629
  103   1HB   GLU  15          2HB       GLU  15   0.788   6.698   0.482
  104   2HB   GLU  15          1HB       GLU  15   2.044   7.606   1.325
  105   1HG   GLU  15          2HG       GLU  15   1.917   8.808  -1.196
  106   2HG   GLU  15          1HG       GLU  15   0.233   8.486  -0.787
  107    H    CYS  16           H        CYS  16   3.267   4.278  -1.404
  108    HA   CYS  16           HA       CYS  16   3.667   3.029   1.284
  109   1HB   CYS  16          2HB       CYS  16   1.969   2.260  -0.520
  110   2HB   CYS  16          1HB       CYS  16   3.375   1.643  -1.385
  111    H    CYS  17           H        CYS  17   5.427   1.316   1.334
  112    HA   CYS  17           HA       CYS  17   7.977   2.398   0.532
  113   1HB   CYS  17          2HB       CYS  17   6.984   0.530   2.318
  114   2HB   CYS  17          1HB       CYS  17   7.844  -0.475   1.153
  115    H    SER  18           H        SER  18   9.528   1.372  -0.949
  116    HA   SER  18           HA       SER  18   8.473   0.739  -3.532
  117   1HB   SER  18          2HB       SER  18  10.871   0.138  -3.983
  118   2HB   SER  18          1HB       SER  18  10.693   1.687  -3.166
  119    HG   SER  18           HG       SER  18  12.114  -0.363  -2.388
  120    H    GLY  19           H        GLY  19   7.330  -1.097  -3.966
  121   1HA   GLY  19          2HA       GLY  19   7.788  -3.588  -4.371
  122   2HA   GLY  19          1HA       GLY  19   8.179  -3.648  -2.652
  123    H    TYR  20           H        TYR  20   6.128  -1.939  -1.681
  124    HA   TYR  20           HA       TYR  20   3.754  -3.714  -2.067
  125   1HB   TYR  20          2HB       TYR  20   4.578  -1.742   0.095
  126   2HB   TYR  20          1HB       TYR  20   3.085  -2.678   0.128
  127    HD1  TYR  20           HD1      TYR  20   6.696  -2.741   0.612
  128    HD2  TYR  20           HD2      TYR  20   3.174  -5.176   0.258
  129    HE1  TYR  20           HE1      TYR  20   7.927  -4.665   1.577
  130    HE2  TYR  20           HE2      TYR  20   4.405  -7.099   1.223
  131    HH   TYR  20           HH       TYR  20   6.922  -6.990   2.953
  132    H    ALA  21           H        ALA  21   1.960  -2.902  -3.085
  133    HA   ALA  21           HA       ALA  21   1.885   0.032  -3.704
  134   1HB   ALA  21          1HB       ALA  21   1.155  -2.505  -5.083
  135   2HB   ALA  21          2HB       ALA  21   1.831  -1.020  -5.752
  136   3HB   ALA  21          3HB       ALA  21   0.107  -1.121  -5.392
  137    H    CYS  22           H        CYS  22  -0.119   1.162  -3.418
  138    HA   CYS  22           HA       CYS  22  -1.743   0.332  -1.171
  139   1HB   CYS  22          2HB       CYS  22  -1.756   2.546  -3.214
  140   2HB   CYS  22          1HB       CYS  22  -3.121   2.365  -2.113
  141    H    ASN  23           H        ASN  23  -3.218  -1.304  -1.341
  142    HA   ASN  23           HA       ASN  23  -4.485  -1.934  -3.939
  143   1HB   ASN  23          2HB       ASN  23  -3.638  -3.331  -1.643
  144   2HB   ASN  23          1HB       ASN  23  -5.398  -3.455  -1.638
  145   1HD2  ASN  23          1HD2      ASN  23  -2.511  -4.074  -3.668
  146   2HD2  ASN  23          2HD2      ASN  23  -3.262  -5.228  -4.661
  147    H    SER  24           H        SER  24  -6.724  -1.798  -4.315
  148    HA   SER  24           HA       SER  24  -8.180   0.232  -2.786
  149   1HB   SER  24          2HB       SER  24  -8.110  -0.482  -5.369
  150   2HB   SER  24          1HB       SER  24  -9.457  -1.498  -4.866
  151    HG   SER  24           HG       SER  24 -10.644   0.234  -4.539
  152    H    ARG  25           H        ARG  25  -7.981  -3.252  -2.744
  153    HA   ARG  25           HA       ARG  25 -10.526  -4.065  -1.860
  154   1HB   ARG  25          2HB       ARG  25  -8.286  -5.331  -2.365
  155   2HB   ARG  25          1HB       ARG  25  -7.971  -5.111  -0.643
  156   1HG   ARG  25          2HG       ARG  25  -9.998  -6.291  -0.052
  157   2HG   ARG  25          1HG       ARG  25 -10.512  -6.350  -1.737
  158   1HD   ARG  25          2HD       ARG  25  -8.001  -7.692  -0.658
  159   2HD   ARG  25          1HD       ARG  25  -9.529  -8.526  -1.004
  160    HE   ARG  25           HE       ARG  25  -7.726  -7.312  -3.030
  161   1HH1  ARG  25          2HH1      ARG  25 -10.989  -8.213  -2.453
  162   2HH1  ARG  25          1HH1      ARG  25 -11.183  -9.017  -3.972
  163   1HH2  ARG  25          1HH2      ARG  25  -7.862  -8.659  -4.912
  164   2HH2  ARG  25          2HH2      ARG  25  -9.420  -9.269  -5.362
  165    H    ASP  26           H        ASP  26  -7.767  -3.074   0.233
  166    HA   ASP  26           HA       ASP  26  -9.772  -2.267   2.319
  167   1HB   ASP  26          2HB       ASP  26  -7.805  -4.360   2.316
  168   2HB   ASP  26          1HB       ASP  26  -7.328  -3.151   3.508
  169    H    LYS  27           H        LYS  27  -8.297  -0.627   0.304
  170    HA   LYS  27           HA       LYS  27  -6.794   1.194   0.141
  171   1HB   LYS  27          2HB       LYS  27  -7.644   2.974   1.465
  172   2HB   LYS  27          1HB       LYS  27  -8.994   1.862   1.273
  173   1HG   LYS  27          2HG       LYS  27  -7.426   1.169   3.618
  174   2HG   LYS  27          1HG       LYS  27  -7.948   2.848   3.688
  175   1HD   LYS  27          2HD       LYS  27 -10.200   1.508   2.751
  176   2HD   LYS  27          1HD       LYS  27  -9.530   0.405   3.953
  177   1HE   LYS  27          2HE       LYS  27  -9.505   2.204   5.633
  178   2HE   LYS  27          1HE       LYS  27 -10.125   3.351   4.427
  179   1HZ   LYS  27          1HZ       LYS  27 -12.022   1.835   4.081
  180   2HZ   LYS  27          2HZ       LYS  27 -11.967   2.455   5.663
  181   3HZ   LYS  27          3HZ       LYS  27 -11.462   0.861   5.355
  182    H    TRP  28           H        TRP  28  -5.355  -0.981   1.188
  183    HA   TRP  28           HA       TRP  28  -3.547   0.415   3.123
  184   1HB   TRP  28          2HB       TRP  28  -3.214  -1.767   4.230
  185   2HB   TRP  28          1HB       TRP  28  -4.904  -1.288   4.259
  186    HD1  TRP  28           HD1      TRP  28  -4.010  -2.536   0.875
  187    HE1  TRP  28           HE1      TRP  28  -4.845  -4.950   0.564
  188    HE3  TRP  28           HE3      TRP  28  -5.171  -3.695   5.707
  189    HZ2  TRP  28           HZ2      TRP  28  -5.868  -7.092   2.148
  190    HZ3  TRP  28           HZ3      TRP  28  -6.076  -5.932   6.277
  191    HH2  TRP  28           HH2      TRP  28  -6.426  -7.631   4.504
  192    H    CYS  29           H        CYS  29  -1.436  -1.272   3.194
  193    HA   CYS  29           HA       CYS  29  -0.392  -1.107   0.419
  194   1HB   CYS  29          2HB       CYS  29   0.669  -1.180   3.209
  195   2HB   CYS  29          1HB       CYS  29   1.725  -1.766   1.924
  196    H    LYS  30           H        LYS  30  -0.351  -2.920  -0.816
  197    HA   LYS  30           HA       LYS  30  -0.231  -5.597   0.542
  198   1HB   LYS  30          2HB       LYS  30  -2.222  -4.530  -1.035
  199   2HB   LYS  30          1HB       LYS  30  -1.264  -5.418  -2.220
  200   1HG   LYS  30          2HG       LYS  30  -1.465  -7.105   0.039
  201   2HG   LYS  30          1HG       LYS  30  -3.080  -6.449  -0.225
  202   1HD   LYS  30          2HD       LYS  30  -2.671  -7.036  -2.725
  203   2HD   LYS  30          1HD       LYS  30  -1.376  -8.066  -2.113
  204   1HE   LYS  30          2HE       LYS  30  -3.063  -9.621  -1.944
  205   2HE   LYS  30          1HE       LYS  30  -3.426  -8.767  -0.432
  206   1HZ   LYS  30          1HZ       LYS  30  -5.382  -8.894  -1.875
  207   2HZ   LYS  30          2HZ       LYS  30  -4.539  -8.081  -3.106
  208   3HZ   LYS  30          3HZ       LYS  30  -4.892  -7.286  -1.646
  209    H    VAL  31           H        VAL  31   1.074  -7.207  -0.547
  210    HA   VAL  31           HA       VAL  31   3.485  -6.170  -1.800
  211    HB   VAL  31           HB       VAL  31   3.243  -8.158  -0.241
  212   1HG1  VAL  31          1HG1      VAL  31   2.402 -10.234  -1.056
  213   2HG1  VAL  31          2HG1      VAL  31   2.337  -9.642  -2.716
  214   3HG1  VAL  31          3HG1      VAL  31   1.198  -9.031  -1.517
  215   1HG2  VAL  31          1HG2      VAL  31   5.070  -9.287  -1.191
  216   2HG2  VAL  31          2HG2      VAL  31   5.170  -7.696  -1.947
  217   3HG2  VAL  31          3HG2      VAL  31   4.481  -9.055  -2.837
  218    H    LEU  32           H        LEU  32   4.203  -6.619  -3.982
  219    HA   LEU  32           HA       LEU  32   2.140  -6.429  -6.011
  220   1HB   LEU  32          2HB       LEU  32   5.078  -6.398  -5.772
  221   2HB   LEU  32          1HB       LEU  32   4.503  -7.072  -7.296
  222    HG   LEU  32           HG       LEU  32   3.100  -4.619  -6.437
  223   1HD1  LEU  32          1HD1      LEU  32   4.930  -3.373  -6.020
  224   2HD1  LEU  32          2HD1      LEU  32   5.427  -3.643  -7.691
  225   3HD1  LEU  32          3HD1      LEU  32   5.996  -4.721  -6.417
  226   1HD2  LEU  32          1HD2      LEU  32   3.199  -4.141  -8.788
  227   2HD2  LEU  32          2HD2      LEU  32   2.900  -5.874  -8.651
  228   3HD2  LEU  32          3HD2      LEU  32   4.519  -5.286  -9.030
  229    H    LEU  33           H        LEU  33   0.926  -8.163  -6.664
  230    HA   LEU  33           HA       LEU  33   2.085 -10.912  -6.478
  231   1HB   LEU  33          1HB       LEU  33  -0.659  -9.683  -6.537
  232   2HB   LEU  33          2HB       LEU  33  -0.464 -11.374  -6.997
  233    HG   LEU  33           HG       LEU  33   1.067 -10.984  -4.634
  234   1HD1  LEU  33          1HD1      LEU  33  -0.580  -8.947  -4.517
  235   2HD1  LEU  33          2HD1      LEU  33  -1.784 -10.172  -4.119
  236   3HD1  LEU  33          3HD1      LEU  33  -0.366  -9.961  -3.091
  237   1HD2  LEU  33          1HD2      LEU  33  -0.553 -12.890  -5.692
  238   2HD2  LEU  33          2HD2      LEU  33  -0.050 -12.885  -4.002
  239   3HD2  LEU  33          3HD2      LEU  33  -1.625 -12.234  -4.455
  240   1HN   NH2  34          1HN       NH2  34   2.915 -10.895  -9.774
  241   2HN   NH2  34          2HN       NH2  34   3.372 -10.821  -8.058
  Start of MODEL   17
    1   1H    GLU   1          1H        GLU   1  10.348   7.056   1.295
    2   2H    GLU   1          2H        GLU   1  10.260   8.459   2.249
    3   3H    GLU   1          3H        GLU   1   8.876   7.887   1.445
    4    HA   GLU   1           HA       GLU   1  10.283   6.585   3.723
    5   1HB   GLU   1          2HB       GLU   1   8.854   8.578   4.167
    6   2HB   GLU   1          1HB       GLU   1   7.511   7.772   3.357
    7   1HG   GLU   1          2HG       GLU   1   7.023   6.576   5.202
    8   2HG   GLU   1          1HG       GLU   1   8.693   6.033   5.357
    9    H    CYS   2           H        CYS   2  10.036   4.390   3.778
   10    HA   CYS   2           HA       CYS   2   8.358   3.043   1.756
   11   1HB   CYS   2          2HB       CYS   2  10.670   2.495   3.445
   12   2HB   CYS   2          1HB       CYS   2   9.508   1.170   3.502
   13    H    LYS   3           H        LYS   3   6.440   1.968   2.209
   14    HA   LYS   3           HA       LYS   3   5.293   2.333   4.934
   15   1HB   LYS   3          2HB       LYS   3   4.175   1.603   2.212
   16   2HB   LYS   3          1HB       LYS   3   3.191   1.658   3.675
   17   1HG   LYS   3          2HG       LYS   3   4.873   4.048   3.216
   18   2HG   LYS   3          1HG       LYS   3   3.591   3.801   2.033
   19   1HD   LYS   3          2HD       LYS   3   2.184   3.308   4.270
   20   2HD   LYS   3          1HD       LYS   3   3.392   4.404   4.942
   21   1HE   LYS   3          2HE       LYS   3   1.787   5.047   2.444
   22   2HE   LYS   3          1HE       LYS   3   1.317   5.573   4.072
   23   1HZ   LYS   3          1HZ       LYS   3   3.850   6.184   2.645
   24   2HZ   LYS   3          2HZ       LYS   3   3.616   6.484   4.301
   25   3HZ   LYS   3          3HZ       LYS   3   2.662   7.285   3.147
   26    H    GLY   4           H        GLY   4   4.579   0.557   6.174
   27   1HA   GLY   4          2HA       GLY   4   5.805  -2.039   5.498
   28   2HA   GLY   4          1HA       GLY   4   5.031  -1.623   7.028
   29    H    PHE   5           H        PHE   5   3.139  -2.653   7.371
   30    HA   PHE   5           HA       PHE   5   1.359  -3.236   5.034
   31   1HB   PHE   5          2HB       PHE   5   2.734  -5.211   5.590
   32   2HB   PHE   5          1HB       PHE   5   2.206  -5.115   7.269
   33    HD1  PHE   5           HD1      PHE   5   0.502  -6.564   7.889
   34    HD2  PHE   5           HD2      PHE   5   0.633  -5.109   3.849
   35    HE1  PHE   5           HE1      PHE   5  -1.506  -7.910   7.339
   36    HE2  PHE   5           HE2      PHE   5  -1.375  -6.456   3.300
   37    HZ   PHE   5           HZ       PHE   5  -2.445  -7.857   5.044
   38    H    GLY   6           H        GLY   6  -0.684  -2.501   5.462
   39   1HA   GLY   6          2HA       GLY   6  -2.676  -2.182   6.723
   40   2HA   GLY   6          1HA       GLY   6  -1.817  -2.705   8.171
   41    H    LYS   7           H        LYS   7  -1.018  -0.110   5.850
   42    HA   LYS   7           HA       LYS   7  -1.337   1.882   8.068
   43   1HB   LYS   7          2HB       LYS   7   1.039   0.987   6.608
   44   2HB   LYS   7          1HB       LYS   7   0.816   2.734   6.508
   45   1HG   LYS   7          2HG       LYS   7   0.618   1.254   9.136
   46   2HG   LYS   7          1HG       LYS   7   2.157   1.856   8.520
   47   1HD   LYS   7          2HD       LYS   7   1.361   4.127   8.514
   48   2HD   LYS   7          1HD       LYS   7  -0.292   3.608   8.841
   49   1HE   LYS   7          2HE       LYS   7   0.409   4.237  10.986
   50   2HE   LYS   7          1HE       LYS   7   0.830   2.514  10.996
   51   1HZ   LYS   7          1HZ       LYS   7   2.703   3.956  11.661
   52   2HZ   LYS   7          2HZ       LYS   7   2.660   4.693  10.131
   53   3HZ   LYS   7          3HZ       LYS   7   3.045   3.044  10.273
   54    H    SER   8           H        SER   8  -2.358   3.745   7.414
   55    HA   SER   8           HA       SER   8  -3.938   4.027   5.178
   56   1HB   SER   8          2HB       SER   8  -3.737   6.488   5.625
   57   2HB   SER   8          1HB       SER   8  -3.968   5.534   7.086
   58    HG   SER   8           HG       SER   8  -1.781   6.990   6.215
   59    H    CYS   9           H        CYS   9  -3.535   4.106   3.018
   60    HA   CYS   9           HA       CYS   9  -1.076   5.477   2.017
   61   1HB   CYS   9          2HB       CYS   9  -0.400   3.194   2.159
   62   2HB   CYS   9          1HB       CYS   9  -1.962   2.618   1.582
   63    H    VAL  10           H        VAL  10  -1.421   6.504   0.030
   64    HA   VAL  10           HA       VAL  10  -4.213   6.440  -1.033
   65    HB   VAL  10           HB       VAL  10  -1.889   8.362  -1.419
   66   1HG1  VAL  10          1HG1      VAL  10  -4.268   8.003  -2.943
   67   2HG1  VAL  10          2HG1      VAL  10  -3.082   9.301  -3.079
   68   3HG1  VAL  10          3HG1      VAL  10  -4.467   9.482  -2.003
   69   1HG2  VAL  10          1HG2      VAL  10  -3.934   9.696  -0.127
   70   2HG2  VAL  10          2HG2      VAL  10  -2.512   9.017   0.665
   71   3HG2  VAL  10          3HG2      VAL  10  -4.011   8.091   0.601
   72    HA   PRO  11           HA       PRO  11  -2.355   4.031  -4.347
   73   1HB   PRO  11          2HB       PRO  11  -4.706   3.473  -5.633
   74   2HB   PRO  11          1HB       PRO  11  -4.161   2.597  -4.190
   75   1HG   PRO  11          2HG       PRO  11  -6.181   4.762  -4.439
   76   2HG   PRO  11          1HG       PRO  11  -6.176   3.336  -3.391
   77   1HD   PRO  11          2HD       PRO  11  -5.539   5.863  -2.546
   78   2HD   PRO  11          1HD       PRO  11  -4.953   4.376  -1.770
   79    H    GLY  12           H        GLY  12  -1.741   4.629  -6.451
   80   1HA   GLY  12          2HA       GLY  12  -2.846   5.946  -8.492
   81   2HA   GLY  12          1HA       GLY  12  -2.657   7.297  -7.374
   82    H    LYS  13           H        LYS  13  -0.257   7.032  -6.252
   83    HA   LYS  13           HA       LYS  13   1.645   6.983  -8.571
   84   1HB   LYS  13          2HB       LYS  13   1.084   9.104  -7.211
   85   2HB   LYS  13          1HB       LYS  13   2.002   8.361  -5.902
   86   1HG   LYS  13          2HG       LYS  13   3.920   9.045  -6.850
   87   2HG   LYS  13          1HG       LYS  13   3.540   8.111  -8.298
   88   1HD   LYS  13          2HD       LYS  13   1.960  10.559  -8.150
   89   2HD   LYS  13          1HD       LYS  13   3.691  10.896  -8.124
   90   1HE   LYS  13          2HE       LYS  13   2.857   8.844 -10.098
   91   2HE   LYS  13          1HE       LYS  13   2.293  10.494 -10.430
   92   1HZ   LYS  13          1HZ       LYS  13   4.522  11.317 -10.144
   93   2HZ   LYS  13          2HZ       LYS  13   4.548  10.072 -11.300
   94   3HZ   LYS  13          3HZ       LYS  13   5.090   9.776  -9.717
   95    H    ASN  14           H        ASN  14   0.737   4.805  -6.438
   96    HA   ASN  14           HA       ASN  14   1.762   2.993  -5.353
   97   1HB   ASN  14          2HB       ASN  14   3.021   3.414  -7.704
   98   2HB   ASN  14          1HB       ASN  14   4.382   3.657  -6.608
   99   1HD2  ASN  14          1HD2      ASN  14   1.790   1.289  -7.404
  100   2HD2  ASN  14          2HD2      ASN  14   2.653  -0.066  -6.856
  101    H    GLU  15           H        GLU  15   1.621   4.111  -3.271
  102    HA   GLU  15           HA       GLU  15   4.158   5.392  -2.334
  103   1HB   GLU  15          2HB       GLU  15   1.252   5.482  -1.551
  104   2HB   GLU  15          1HB       GLU  15   2.486   5.962  -0.385
  105   1HG   GLU  15          2HG       GLU  15   2.497   7.990  -1.368
  106   2HG   GLU  15          1HG       GLU  15   3.245   7.225  -2.769
  107    H    CYS  16           H        CYS  16   4.792   2.871  -2.430
  108    HA   CYS  16           HA       CYS  16   4.608   1.894   0.372
  109   1HB   CYS  16          2HB       CYS  16   3.436   0.655  -2.081
  110   2HB   CYS  16          1HB       CYS  16   4.150  -0.427  -0.887
  111    H    CYS  17           H        CYS  17   6.147  -0.014   0.671
  112    HA   CYS  17           HA       CYS  17   8.730   0.594  -0.541
  113   1HB   CYS  17          2HB       CYS  17   7.866  -0.408   1.826
  114   2HB   CYS  17          1HB       CYS  17   8.281  -1.910   1.002
  115    H    SER  18           H        SER  18  10.078  -1.286  -1.472
  116    HA   SER  18           HA       SER  18   8.952  -2.297  -3.869
  117   1HB   SER  18          2HB       SER  18  11.420  -2.091  -2.810
  118   2HB   SER  18          1HB       SER  18  11.144  -3.804  -2.511
  119    HG   SER  18           HG       SER  18  11.317  -4.165  -4.575
  120    H    GLY  19           H        GLY  19   7.579  -4.001  -4.239
  121   1HA   GLY  19          2HA       GLY  19   6.881  -6.309  -3.943
  122   2HA   GLY  19          1HA       GLY  19   7.511  -6.259  -2.295
  123    H    TYR  20           H        TYR  20   6.312  -3.754  -1.538
  124    HA   TYR  20           HA       TYR  20   3.512  -4.677  -1.146
  125   1HB   TYR  20          2HB       TYR  20   5.428  -2.762   0.172
  126   2HB   TYR  20          1HB       TYR  20   3.700  -2.633   0.500
  127    HD1  TYR  20           HD1      TYR  20   2.517  -4.347   1.743
  128    HD2  TYR  20           HD2      TYR  20   6.681  -4.799   0.788
  129    HE1  TYR  20           HE1      TYR  20   2.677  -6.238   3.338
  130    HE2  TYR  20           HE2      TYR  20   6.842  -6.690   2.384
  131    HH   TYR  20           HH       TYR  20   5.179  -7.295   4.692
  132    H    ALA  21           H        ALA  21   1.737  -3.415  -1.793
  133    HA   ALA  21           HA       ALA  21   2.301  -0.890  -3.309
  134   1HB   ALA  21          1HB       ALA  21   1.200  -1.719  -5.181
  135   2HB   ALA  21          2HB       ALA  21   0.206  -2.825  -4.231
  136   3HB   ALA  21          3HB       ALA  21   1.896  -3.213  -4.555
  137    H    CYS  22           H        CYS  22   0.024   0.198  -3.779
  138    HA   CYS  22           HA       CYS  22  -1.387   0.355  -1.175
  139   1HB   CYS  22          2HB       CYS  22  -0.503   2.225  -2.886
  140   2HB   CYS  22          1HB       CYS  22  -2.119   2.003  -3.558
  141    H    ASN  23           H        ASN  23  -3.206  -0.852  -0.859
  142    HA   ASN  23           HA       ASN  23  -4.656  -1.974  -3.205
  143   1HB   ASN  23          2HB       ASN  23  -3.820  -2.956  -0.751
  144   2HB   ASN  23          1HB       ASN  23  -5.542  -2.674  -0.492
  145   1HD2  ASN  23          1HD2      ASN  23  -3.372  -4.980  -1.635
  146   2HD2  ASN  23          2HD2      ASN  23  -4.434  -5.878  -2.606
  147    H    SER  24           H        SER  24  -7.150  -2.113  -2.822
  148    HA   SER  24           HA       SER  24  -8.120   0.613  -2.045
  149   1HB   SER  24          2HB       SER  24  -8.917  -1.475  -4.053
  150   2HB   SER  24          1HB       SER  24 -10.097  -0.278  -3.526
  151    HG   SER  24           HG       SER  24  -9.054   0.625  -5.235
  152    H    ARG  25           H        ARG  25  -8.306  -2.731  -1.127
  153    HA   ARG  25           HA       ARG  25 -10.933  -2.928  -0.056
  154   1HB   ARG  25          2HB       ARG  25  -8.241  -4.125   0.595
  155   2HB   ARG  25          1HB       ARG  25  -9.662  -4.550   1.550
  156   1HG   ARG  25          2HG       ARG  25 -10.312  -5.995  -0.042
  157   2HG   ARG  25          1HG       ARG  25 -10.393  -4.675  -1.209
  158   1HD   ARG  25          2HD       ARG  25  -7.638  -5.229  -0.878
  159   2HD   ARG  25          1HD       ARG  25  -8.441  -6.801  -1.044
  160    HE   ARG  25           HE       ARG  25  -8.276  -4.746  -3.108
  161   1HH1  ARG  25          1HH2      ARG  25  -9.653  -7.736  -2.071
  162   2HH1  ARG  25          2HH2      ARG  25 -10.661  -7.907  -3.466
  163   1HH2  ARG  25          2HH1      ARG  25  -9.800  -4.831  -4.820
  164   2HH2  ARG  25          1HH1      ARG  25 -10.743  -6.269  -5.020
  165    H    ASP  26           H        ASP  26  -7.923  -2.092   1.714
  166    HA   ASP  26           HA       ASP  26  -9.614  -0.675   3.749
  167   1HB   ASP  26          2HB       ASP  26  -7.190  -2.397   3.784
  168   2HB   ASP  26          1HB       ASP  26  -7.213  -1.066   4.940
  169    H    LYS  27           H        LYS  27  -7.798   0.039   1.084
  170    HA   LYS  27           HA       LYS  27  -6.684   1.973   0.345
  171   1HB   LYS  27          2HB       LYS  27  -8.824   2.729   1.770
  172   2HB   LYS  27          1HB       LYS  27  -7.574   3.409   2.813
  173   1HG   LYS  27          2HG       LYS  27  -6.623   4.258   0.456
  174   2HG   LYS  27          1HG       LYS  27  -8.332   4.155   0.027
  175   1HD   LYS  27          2HD       LYS  27  -8.966   5.714   1.676
  176   2HD   LYS  27          1HD       LYS  27  -7.455   5.523   2.565
  177   1HE   LYS  27          2HE       LYS  27  -6.210   6.718   0.891
  178   2HE   LYS  27          1HE       LYS  27  -7.579   6.679  -0.239
  179   1HZ   LYS  27          1HZ       LYS  27  -7.561   8.005   2.425
  180   2HZ   LYS  27          2HZ       LYS  27  -8.891   7.933   1.369
  181   3HZ   LYS  27          3HZ       LYS  27  -7.497   8.798   0.927
  182    H    TRP  28           H        TRP  28  -5.045   0.162   1.737
  183    HA   TRP  28           HA       TRP  28  -3.121   2.042   3.022
  184   1HB   TRP  28          2HB       TRP  28  -2.772   0.398   4.852
  185   2HB   TRP  28          1HB       TRP  28  -4.412   1.022   4.823
  186    HD1  TRP  28           HD1      TRP  28  -3.878  -1.528   2.144
  187    HE1  TRP  28           HE1      TRP  28  -4.922  -3.774   2.849
  188    HE3  TRP  28           HE3      TRP  28  -4.794  -0.558   7.070
  189    HZ2  TRP  28           HZ2      TRP  28  -6.006  -5.002   5.199
  190    HZ3  TRP  28           HZ3      TRP  28  -5.831  -2.281   8.520
  191    HH2  TRP  28           HH2      TRP  28  -6.438  -4.499   7.592
  192    H    CYS  29           H        CYS  29  -1.055   0.405   3.620
  193    HA   CYS  29           HA       CYS  29  -0.111  -0.426   0.966
  194   1HB   CYS  29          2HB       CYS  29   1.120   0.827   2.891
  195   2HB   CYS  29          1HB       CYS  29   1.334  -0.777   3.590
  196    H    LYS  30           H        LYS  30  -0.330  -2.465   0.203
  197    HA   LYS  30           HA       LYS  30  -0.353  -4.760   2.125
  198   1HB   LYS  30          2HB       LYS  30  -2.659  -4.097   1.507
  199   2HB   LYS  30          1HB       LYS  30  -2.243  -4.251  -0.199
  200   1HG   LYS  30          2HG       LYS  30  -2.614  -6.471  -0.141
  201   2HG   LYS  30          1HG       LYS  30  -1.495  -6.660   1.208
  202   1HD   LYS  30          2HD       LYS  30  -3.262  -7.111   2.529
  203   2HD   LYS  30          1HD       LYS  30  -3.790  -5.445   2.301
  204   1HE   LYS  30          2HE       LYS  30  -5.650  -6.767   1.596
  205   2HE   LYS  30          1HE       LYS  30  -4.854  -6.292   0.085
  206   1HZ   LYS  30          1HZ       LYS  30  -4.237  -8.385  -0.322
  207   2HZ   LYS  30          2HZ       LYS  30  -5.326  -8.858   0.892
  208   3HZ   LYS  30          3HZ       LYS  30  -3.684  -8.635   1.262
  209    H    VAL  31           H        VAL  31   0.694  -6.610   1.316
  210    HA   VAL  31           HA       VAL  31   2.619  -6.317  -0.790
  211    HB   VAL  31           HB       VAL  31   2.604  -7.864   1.241
  212   1HG1  VAL  31          1HG1      VAL  31   0.220  -8.703   0.529
  213   2HG1  VAL  31          2HG1      VAL  31   1.362  -9.846   1.237
  214   3HG1  VAL  31          3HG1      VAL  31   1.120  -9.809  -0.509
  215   1HG2  VAL  31          1HG2      VAL  31   3.143  -9.148  -1.456
  216   2HG2  VAL  31          2HG2      VAL  31   3.857  -9.625   0.085
  217   3HG2  VAL  31          3HG2      VAL  31   4.244  -8.055  -0.618
  218    H    LEU  32           H        LEU  32   2.653  -7.314  -2.899
  219    HA   LEU  32           HA       LEU  32   0.215  -7.194  -4.402
  220   1HB   LEU  32          2HB       LEU  32   3.030  -7.603  -4.800
  221   2HB   LEU  32          1HB       LEU  32   2.156  -8.837  -5.705
  222    HG   LEU  32           HG       LEU  32   2.479  -6.826  -7.081
  223   1HD1  LEU  32          1HD1      LEU  32   0.209  -6.567  -7.821
  224   2HD1  LEU  32          2HD1      LEU  32  -0.422  -6.995  -6.231
  225   3HD1  LEU  32          3HD1      LEU  32   0.361  -8.221  -7.228
  226   1HD2  LEU  32          1HD2      LEU  32   0.697  -5.331  -5.157
  227   2HD2  LEU  32          2HD2      LEU  32   1.710  -4.682  -6.447
  228   3HD2  LEU  32          3HD2      LEU  32   2.452  -5.313  -4.977
  229    H    LEU  33           H        LEU  33  -1.252  -8.791  -4.966
  230    HA   LEU  33           HA       LEU  33  -1.074 -11.375  -3.534
  231   1HB   LEU  33          1HB       LEU  33  -3.415 -11.560  -4.166
  232   2HB   LEU  33          2HB       LEU  33  -3.121  -9.918  -3.598
  233    HG   LEU  33           HG       LEU  33  -2.557  -9.751  -6.309
  234   1HD1  LEU  33          1HD1      LEU  33  -4.929 -11.582  -5.849
  235   2HD1  LEU  33          2HD1      LEU  33  -4.602 -10.753  -7.371
  236   3HD1  LEU  33          3HD1      LEU  33  -3.466 -11.956  -6.759
  237   1HD2  LEU  33          1HD2      LEU  33  -4.139  -8.469  -4.500
  238   2HD2  LEU  33          2HD2      LEU  33  -4.184  -8.142  -6.232
  239   3HD2  LEU  33          3HD2      LEU  33  -5.368  -9.232  -5.510
  240   1HN   NH2  34          1HN       NH2  34   0.287 -13.272  -5.945
  241   2HN   NH2  34          2HN       NH2  34   0.224 -12.598  -4.302
  Start of MODEL   18
    1   1H    GLU   1          1H        GLU   1   8.905   7.753   4.303
    2   2H    GLU   1          2H        GLU   1   9.172   6.641   3.046
    3   3H    GLU   1          3H        GLU   1   9.429   6.181   4.661
    4    HA   GLU   1           HA       GLU   1   7.057   6.415   5.135
    5   1HB   GLU   1          2HB       GLU   1   7.232   7.446   2.314
    6   2HB   GLU   1          1HB       GLU   1   5.722   6.724   2.871
    7   1HG   GLU   1          2HG       GLU   1   6.299   8.351   4.979
    8   2HG   GLU   1          1HG       GLU   1   6.991   9.284   3.653
    9    H    CYS   2           H        CYS   2   8.036   4.187   5.415
   10    HA   CYS   2           HA       CYS   2   7.467   2.349   3.120
   11   1HB   CYS   2          2HB       CYS   2   9.557   2.648   5.071
   12   2HB   CYS   2          1HB       CYS   2   8.802   1.070   5.293
   13    H    LYS   3           H        LYS   3   5.340   1.671   3.317
   14    HA   LYS   3           HA       LYS   3   4.155   1.168   5.981
   15   1HB   LYS   3          2HB       LYS   3   3.244   1.289   3.118
   16   2HB   LYS   3          1HB       LYS   3   2.219   0.490   4.310
   17   1HG   LYS   3          2HG       LYS   3   1.442   2.523   4.889
   18   2HG   LYS   3          1HG       LYS   3   3.042   2.880   5.540
   19   1HD   LYS   3          2HD       LYS   3   3.754   3.646   3.279
   20   2HD   LYS   3          1HD       LYS   3   2.109   3.380   2.699
   21   1HE   LYS   3          2HE       LYS   3   1.424   5.366   3.552
   22   2HE   LYS   3          1HE       LYS   3   2.116   4.979   5.140
   23   1HZ   LYS   3          1HZ       LYS   3   4.313   5.519   4.270
   24   2HZ   LYS   3          2HZ       LYS   3   3.270   6.855   4.143
   25   3HZ   LYS   3          3HZ       LYS   3   3.638   5.929   2.768
   26    H    GLY   4           H        GLY   4   3.984  -0.858   6.874
   27   1HA   GLY   4          2HA       GLY   4   5.221  -3.130   5.501
   28   2HA   GLY   4          1HA       GLY   4   4.553  -3.144   7.134
   29    H    PHE   5           H        PHE   5   2.392  -3.754   7.430
   30    HA   PHE   5           HA       PHE   5   0.813  -4.400   4.968
   31   1HB   PHE   5          2HB       PHE   5   2.015  -6.395   5.781
   32   2HB   PHE   5          1HB       PHE   5   1.320  -6.167   7.385
   33    HD1  PHE   5           HD1      PHE   5   0.195  -6.398   3.806
   34    HD2  PHE   5           HD2      PHE   5  -0.597  -7.375   7.914
   35    HE1  PHE   5           HE1      PHE   5  -1.823  -7.664   3.117
   36    HE2  PHE   5           HE2      PHE   5  -2.613  -8.641   7.224
   37    HZ   PHE   5           HZ       PHE   5  -3.227  -8.786   4.826
   38    H    GLY   6           H        GLY   6  -1.293  -3.736   5.139
   39   1HA   GLY   6          2HA       GLY   6  -3.343  -3.127   6.127
   40   2HA   GLY   6          1HA       GLY   6  -2.709  -3.656   7.684
   41    H    LYS   7           H        LYS   7  -1.117  -1.290   5.584
   42    HA   LYS   7           HA       LYS   7  -1.577   0.779   7.708
   43   1HB   LYS   7          2HB       LYS   7   0.733  -0.101   6.048
   44   2HB   LYS   7          1HB       LYS   7   0.600   1.633   6.335
   45   1HG   LYS   7          2HG       LYS   7   0.479  -0.443   8.539
   46   2HG   LYS   7          1HG       LYS   7   1.956   0.400   8.073
   47   1HD   LYS   7          2HD       LYS   7  -0.580   1.840   8.898
   48   2HD   LYS   7          1HD       LYS   7   0.710   1.433  10.028
   49   1HE   LYS   7          2HE       LYS   7   1.771   3.339   9.416
   50   2HE   LYS   7          1HE       LYS   7   1.960   2.665   7.786
   51   1HZ   LYS   7          1HZ       LYS   7  -0.282   3.418   7.254
   52   2HZ   LYS   7          2HZ       LYS   7   0.690   4.729   7.726
   53   3HZ   LYS   7          3HZ       LYS   7  -0.450   4.082   8.807
   54    H    SER   8           H        SER   8  -3.013   2.308   7.030
   55    HA   SER   8           HA       SER   8  -4.095   2.650   4.468
   56   1HB   SER   8          2HB       SER   8  -4.771   3.610   6.748
   57   2HB   SER   8          1HB       SER   8  -3.598   4.888   6.443
   58    HG   SER   8           HG       SER   8  -4.932   5.743   5.059
   59    H    CYS   9           H        CYS   9  -3.317   3.506   2.581
   60    HA   CYS   9           HA       CYS   9  -1.068   5.468   2.677
   61   1HB   CYS   9          2HB       CYS   9   0.085   4.097   0.918
   62   2HB   CYS   9          1HB       CYS   9  -0.063   3.256   2.460
   63    H    VAL  10           H        VAL  10  -0.623   6.097   0.186
   64    HA   VAL  10           HA       VAL  10  -3.300   6.761  -0.983
   65    HB   VAL  10           HB       VAL  10  -0.551   8.038  -1.206
   66   1HG1  VAL  10          1HG1      VAL  10  -1.947   9.912  -2.285
   67   2HG1  VAL  10          2HG1      VAL  10  -3.204   8.694  -2.498
   68   3HG1  VAL  10          3HG1      VAL  10  -1.633   8.486  -3.274
   69   1HG2  VAL  10          1HG2      VAL  10  -3.036   8.592   0.392
   70   2HG2  VAL  10          2HG2      VAL  10  -2.011   9.941  -0.099
   71   3HG2  VAL  10          3HG2      VAL  10  -1.349   8.648   0.902
   72    HA   PRO  11           HA       PRO  11  -2.027   3.965  -4.241
   73   1HB   PRO  11          2HB       PRO  11  -4.311   4.192  -5.732
   74   2HB   PRO  11          1HB       PRO  11  -4.209   3.200  -4.265
   75   1HG   PRO  11          2HG       PRO  11  -5.401   5.891  -4.648
   76   2HG   PRO  11          1HG       PRO  11  -5.932   4.555  -3.617
   77   1HD   PRO  11          2HD       PRO  11  -4.579   6.774  -2.716
   78   2HD   PRO  11          1HD       PRO  11  -4.605   5.203  -1.885
   79    H    GLY  12           H        GLY  12  -1.761   4.189  -6.679
   80   1HA   GLY  12          2HA       GLY  12  -1.631   5.568  -8.672
   81   2HA   GLY  12          1HA       GLY  12  -1.787   7.002  -7.655
   82    H    LYS  13           H        LYS  13   0.102   7.071  -5.912
   83    HA   LYS  13           HA       LYS  13   2.634   6.999  -7.453
   84   1HB   LYS  13          2HB       LYS  13   1.421   8.578  -5.396
   85   2HB   LYS  13          1HB       LYS  13   2.919   7.911  -4.749
   86   1HG   LYS  13          2HG       LYS  13   4.215   9.168  -6.124
   87   2HG   LYS  13          1HG       LYS  13   3.153   8.914  -7.509
   88   1HD   LYS  13          2HD       LYS  13   1.746  10.694  -6.924
   89   2HD   LYS  13          1HD       LYS  13   2.270  10.682  -5.240
   90   1HE   LYS  13          2HE       LYS  13   4.035  12.061  -5.667
   91   2HE   LYS  13          1HE       LYS  13   4.450  11.206  -7.166
   92   1HZ   LYS  13          1HZ       LYS  13   2.583  12.247  -8.264
   93   2HZ   LYS  13          2HZ       LYS  13   3.584  13.448  -7.601
   94   3HZ   LYS  13          3HZ       LYS  13   2.126  13.034  -6.832
   95    H    ASN  14           H        ASN  14   0.985   5.168  -4.994
   96    HA   ASN  14           HA       ASN  14   1.585   3.241  -3.798
   97   1HB   ASN  14          2HB       ASN  14   2.357   2.835  -6.268
   98   2HB   ASN  14          1HB       ASN  14   3.982   3.043  -5.615
   99   1HD2  ASN  14          1HD2      ASN  14   4.867   1.321  -4.358
  100   2HD2  ASN  14          2HD2      ASN  14   4.032  -0.123  -4.041
  101    H    GLU  15           H        GLU  15   2.139   4.713  -1.971
  102    HA   GLU  15           HA       GLU  15   5.047   5.215  -1.555
  103   1HB   GLU  15          2HB       GLU  15   2.477   6.053  -0.185
  104   2HB   GLU  15          1HB       GLU  15   4.064   6.424   0.489
  105   1HG   GLU  15          2HG       GLU  15   4.142   8.235  -0.845
  106   2HG   GLU  15          1HG       GLU  15   4.208   7.149  -2.234
  107    H    CYS  16           H        CYS  16   4.254   2.468  -1.535
  108    HA   CYS  16           HA       CYS  16   4.176   1.714   1.353
  109   1HB   CYS  16          2HB       CYS  16   3.293   0.596  -1.241
  110   2HB   CYS  16          1HB       CYS  16   3.963  -0.589  -0.122
  111    H    CYS  17           H        CYS  17   5.594  -0.229   1.907
  112    HA   CYS  17           HA       CYS  17   8.361   0.295   1.064
  113   1HB   CYS  17          2HB       CYS  17   7.192  -0.430   3.380
  114   2HB   CYS  17          1HB       CYS  17   7.594  -2.033   2.765
  115    H    SER  18           H        SER  18   9.765  -1.717   0.554
  116    HA   SER  18           HA       SER  18   8.878  -2.966  -1.867
  117   1HB   SER  18          2HB       SER  18  10.967  -4.322  -1.517
  118   2HB   SER  18          1HB       SER  18  11.224  -2.591  -1.326
  119    HG   SER  18           HG       SER  18  11.950  -3.102   0.576
  120    H    GLY  19           H        GLY  19   7.750  -4.859  -2.199
  121   1HA   GLY  19          2HA       GLY  19   7.156  -7.154  -1.623
  122   2HA   GLY  19          1HA       GLY  19   7.440  -6.767   0.073
  123    H    TYR  20           H        TYR  20   5.919  -4.109  -0.498
  124    HA   TYR  20           HA       TYR  20   3.149  -5.263  -0.458
  125   1HB   TYR  20          2HB       TYR  20   4.369  -3.050   1.230
  126   2HB   TYR  20          1HB       TYR  20   2.686  -3.567   1.305
  127    HD1  TYR  20           HD1      TYR  20   2.122  -5.886   2.078
  128    HD2  TYR  20           HD2      TYR  20   6.110  -4.301   2.298
  129    HE1  TYR  20           HE1      TYR  20   2.739  -7.663   3.692
  130    HE2  TYR  20           HE2      TYR  20   6.727  -6.081   3.911
  131    HH   TYR  20           HH       TYR  20   5.451  -8.726   4.308
  132    H    ALA  21           H        ALA  21   1.511  -3.852  -1.328
  133    HA   ALA  21           HA       ALA  21   2.501  -1.418  -2.771
  134   1HB   ALA  21          1HB       ALA  21   0.965  -3.817  -3.774
  135   2HB   ALA  21          2HB       ALA  21   2.438  -3.106  -4.435
  136   3HB   ALA  21          3HB       ALA  21   0.895  -2.271  -4.620
  137    H    CYS  22           H        CYS  22   1.016   0.294  -2.782
  138    HA   CYS  22           HA       CYS  22  -1.120   0.298  -0.842
  139   1HB   CYS  22          2HB       CYS  22   0.362   2.203  -1.799
  140   2HB   CYS  22          1HB       CYS  22  -0.787   2.235  -3.137
  141    H    ASN  23           H        ASN  23  -3.164  -0.497  -1.112
  142    HA   ASN  23           HA       ASN  23  -4.161  -0.986  -3.896
  143   1HB   ASN  23          2HB       ASN  23  -3.934  -2.565  -1.570
  144   2HB   ASN  23          1HB       ASN  23  -5.656  -2.230  -1.739
  145   1HD2  ASN  23          1HD2      ASN  23  -6.760  -3.066  -3.644
  146   2HD2  ASN  23          2HD2      ASN  23  -6.026  -4.199  -4.672
  147    H    SER  24           H        SER  24  -6.481  -0.583  -4.267
  148    HA   SER  24           HA       SER  24  -7.439   1.838  -2.826
  149   1HB   SER  24          2HB       SER  24  -7.972   0.463  -5.446
  150   2HB   SER  24          1HB       SER  24  -9.151   1.612  -4.818
  151    HG   SER  24           HG       SER  24  -7.834   3.175  -5.303
  152    H    ARG  25           H        ARG  25  -8.228  -1.569  -3.254
  153    HA   ARG  25           HA       ARG  25 -10.970  -1.593  -2.491
  154   1HB   ARG  25          2HB       ARG  25  -8.642  -3.503  -2.258
  155   2HB   ARG  25          1HB       ARG  25 -10.235  -3.951  -1.647
  156   1HG   ARG  25          2HG       ARG  25 -11.232  -3.744  -3.809
  157   2HG   ARG  25          1HG       ARG  25  -9.810  -2.929  -4.461
  158   1HD   ARG  25          2HD       ARG  25  -9.585  -5.156  -5.253
  159   2HD   ARG  25          1HD       ARG  25  -8.546  -5.132  -3.814
  160    HE   ARG  25           HE       ARG  25 -11.403  -6.001  -3.613
  161   1HH1  ARG  25          1HH2      ARG  25  -9.717  -5.967  -1.155
  162   2HH1  ARG  25          2HH2      ARG  25  -9.152  -7.601  -1.065
  163   1HH2  ARG  25          2HH1      ARG  25  -9.950  -8.340  -4.365
  164   2HH2  ARG  25          1HH1      ARG  25  -9.284  -8.948  -2.886
  165    H    ASP  26           H        ASP  26  -8.058  -2.030  -0.442
  166    HA   ASP  26           HA       ASP  26  -9.721  -1.547   1.993
  167   1HB   ASP  26          2HB       ASP  26  -7.071  -2.828   1.355
  168   2HB   ASP  26          1HB       ASP  26  -7.440  -2.341   3.009
  169    H    LYS  27           H        LYS  27  -7.720   0.177  -0.132
  170    HA   LYS  27           HA       LYS  27  -6.659   2.269  -0.005
  171   1HB   LYS  27          2HB       LYS  27  -8.440   2.361   2.455
  172   2HB   LYS  27          1HB       LYS  27  -7.639   3.765   1.752
  173   1HG   LYS  27          2HG       LYS  27  -9.381   3.999   0.346
  174   2HG   LYS  27          1HG       LYS  27  -8.943   2.457  -0.390
  175   1HD   LYS  27          2HD       LYS  27 -11.078   1.924   0.290
  176   2HD   LYS  27          1HD       LYS  27 -10.214   1.509   1.770
  177   1HE   LYS  27          2HE       LYS  27 -10.711   4.282   1.960
  178   2HE   LYS  27          1HE       LYS  27 -12.221   3.562   1.370
  179   1HZ   LYS  27          1HZ       LYS  27 -12.045   1.874   3.106
  180   2HZ   LYS  27          2HZ       LYS  27 -12.107   3.432   3.780
  181   3HZ   LYS  27          3HZ       LYS  27 -10.628   2.601   3.692
  182    H    TRP  28           H        TRP  28  -5.299  -0.041   1.224
  183    HA   TRP  28           HA       TRP  28  -3.505   1.477   3.046
  184   1HB   TRP  28          2HB       TRP  28  -3.609  -0.263   4.732
  185   2HB   TRP  28          1HB       TRP  28  -5.245   0.267   4.374
  186    HD1  TRP  28           HD1      TRP  28  -4.234  -1.874   1.570
  187    HE1  TRP  28           HE1      TRP  28  -5.110  -4.273   1.875
  188    HE3  TRP  28           HE3      TRP  28  -5.598  -1.693   6.486
  189    HZ2  TRP  28           HZ2      TRP  28  -6.246  -5.905   3.930
  190    HZ3  TRP  28           HZ3      TRP  28  -6.579  -3.683   7.590
  191    HH2  TRP  28           HH2      TRP  28  -6.904  -5.787   6.320
  192    H    CYS  29           H        CYS  29  -1.696  -0.448   3.702
  193    HA   CYS  29           HA       CYS  29  -0.404  -0.994   1.114
  194   1HB   CYS  29          2HB       CYS  29   0.529  -0.126   3.447
  195   2HB   CYS  29          1HB       CYS  29   0.680  -1.852   3.776
  196    H    LYS  30           H        LYS  30  -0.992  -2.843   0.063
  197    HA   LYS  30           HA       LYS  30  -1.742  -5.272   1.629
  198   1HB   LYS  30          2HB       LYS  30  -2.781  -3.989  -0.607
  199   2HB   LYS  30          1HB       LYS  30  -1.885  -5.337  -1.308
  200   1HG   LYS  30          2HG       LYS  30  -3.225  -6.422   0.916
  201   2HG   LYS  30          1HG       LYS  30  -4.403  -5.371   0.130
  202   1HD   LYS  30          2HD       LYS  30  -3.394  -6.557  -2.059
  203   2HD   LYS  30          1HD       LYS  30  -3.093  -7.844  -0.891
  204   1HE   LYS  30          2HE       LYS  30  -5.375  -8.153  -0.444
  205   2HE   LYS  30          1HE       LYS  30  -5.800  -6.518  -0.987
  206   1HZ   LYS  30          1HZ       LYS  30  -5.182  -7.122  -3.235
  207   2HZ   LYS  30          2HZ       LYS  30  -6.367  -8.194  -2.660
  208   3HZ   LYS  30          3HZ       LYS  30  -4.742  -8.682  -2.732
  209    H    VAL  31           H        VAL  31  -0.936  -7.381   0.338
  210    HA   VAL  31           HA       VAL  31   2.021  -7.158   0.207
  211    HB   VAL  31           HB       VAL  31   0.148  -9.549   0.069
  212   1HG1  VAL  31          1HG1      VAL  31   2.236 -10.762   0.832
  213   2HG1  VAL  31          2HG1      VAL  31   3.136  -9.282   0.500
  214   3HG1  VAL  31          3HG1      VAL  31   2.318 -10.130  -0.813
  215   1HG2  VAL  31          1HG2      VAL  31   1.161  -9.750   2.509
  216   2HG2  VAL  31          2HG2      VAL  31  -0.239  -8.719   2.211
  217   3HG2  VAL  31          3HG2      VAL  31   1.369  -8.007   2.337
  218    H    LEU  32           H        LEU  32   3.223  -7.910  -1.643
  219    HA   LEU  32           HA       LEU  32   2.066  -7.280  -4.217
  220   1HB   LEU  32          2HB       LEU  32   4.623  -7.802  -3.024
  221   2HB   LEU  32          1HB       LEU  32   4.466  -8.810  -4.462
  222    HG   LEU  32           HG       LEU  32   5.435  -6.604  -5.012
  223   1HD1  LEU  32          1HD1      LEU  32   2.613  -6.708  -6.086
  224   2HD1  LEU  32          2HD1      LEU  32   3.837  -7.886  -6.562
  225   3HD1  LEU  32          3HD1      LEU  32   4.076  -6.174  -6.914
  226   1HD2  LEU  32          1HD2      LEU  32   4.306  -4.567  -4.601
  227   2HD2  LEU  32          2HD2      LEU  32   4.074  -5.478  -3.110
  228   3HD2  LEU  32          3HD2      LEU  32   2.771  -5.379  -4.293
  229    H    LEU  33           H        LEU  33   3.200 -10.365  -2.807
  230    HA   LEU  33           HA       LEU  33   1.327 -11.801  -4.663
  231   1HB   LEU  33          1HB       LEU  33   4.227 -12.218  -3.977
  232   2HB   LEU  33          2HB       LEU  33   3.244 -13.597  -4.470
  233    HG   LEU  33           HG       LEU  33   2.927 -11.200  -6.166
  234   1HD1  LEU  33          1HD1      LEU  33   5.551 -12.716  -6.044
  235   2HD1  LEU  33          2HD1      LEU  33   5.077 -11.659  -7.373
  236   3HD1  LEU  33          3HD1      LEU  33   5.313 -10.991  -5.758
  237   1HD2  LEU  33          1HD2      LEU  33   1.960 -13.488  -6.591
  238   2HD2  LEU  33          2HD2      LEU  33   2.939 -12.874  -7.923
  239   3HD2  LEU  33          3HD2      LEU  33   3.604 -14.083  -6.825
  240   1HN   NH2  34          1HN       NH2  34   0.050 -12.385  -1.429
  241   2HN   NH2  34          2HN       NH2  34   0.181 -11.198  -2.745
  Start of MODEL   19
    1   1H    GLU   1          1H        GLU   1   6.412  10.695   1.838
    2   2H    GLU   1          2H        GLU   1   5.177   9.608   2.266
    3   3H    GLU   1          3H        GLU   1   6.133   9.316   0.892
    4    HA   GLU   1           HA       GLU   1   8.097   9.008   2.291
    5   1HB   GLU   1          2HB       GLU   1   6.760  10.616   3.975
    6   2HB   GLU   1          1HB       GLU   1   6.316   9.067   4.692
    7   1HG   GLU   1          2HG       GLU   1   9.106   8.975   4.091
    8   2HG   GLU   1          1HG       GLU   1   8.788  10.487   4.943
    9    H    CYS   2           H        CYS   2   8.354   6.949   3.736
   10    HA   CYS   2           HA       CYS   2   7.037   4.730   2.505
   11   1HB   CYS   2          2HB       CYS   2   8.986   5.289   4.617
   12   2HB   CYS   2          1HB       CYS   2   8.005   3.868   4.975
   13    H    LYS   3           H        LYS   3   5.069   3.813   2.937
   14    HA   LYS   3           HA       LYS   3   3.543   4.775   5.324
   15   1HB   LYS   3          2HB       LYS   3   2.777   3.482   2.688
   16   2HB   LYS   3          1HB       LYS   3   1.613   3.860   3.958
   17   1HG   LYS   3          2HG       LYS   3   3.473   5.955   2.821
   18   2HG   LYS   3          1HG       LYS   3   1.906   5.609   2.094
   19   1HD   LYS   3          2HD       LYS   3   0.978   7.006   3.597
   20   2HD   LYS   3          1HD       LYS   3   1.401   5.841   4.852
   21   1HE   LYS   3          2HE       LYS   3   2.450   7.834   5.592
   22   2HE   LYS   3          1HE       LYS   3   3.766   6.983   4.760
   23   1HZ   LYS   3          1HZ       LYS   3   1.945   8.942   3.457
   24   2HZ   LYS   3          2HZ       LYS   3   3.302   8.193   2.757
   25   3HZ   LYS   3          3HZ       LYS   3   3.502   9.315   4.016
   26    H    GLY   4           H        GLY   4   2.968   3.327   6.927
   27   1HA   GLY   4          2HA       GLY   4   4.026   0.580   6.747
   28   2HA   GLY   4          1HA       GLY   4   3.346   1.335   8.188
   29    H    PHE   5           H        PHE   5   2.185  -0.768   8.369
   30    HA   PHE   5           HA       PHE   5   0.107  -1.428   6.416
   31   1HB   PHE   5          2HB       PHE   5   1.522  -2.712   8.423
   32   2HB   PHE   5          1HB       PHE   5  -0.082  -2.543   9.134
   33    HD1  PHE   5           HD1      PHE   5  -2.089  -3.440   7.914
   34    HD2  PHE   5           HD2      PHE   5   1.931  -4.222   6.611
   35    HE1  PHE   5           HE1      PHE   5  -2.906  -5.320   6.519
   36    HE2  PHE   5           HE2      PHE   5   1.112  -6.102   5.216
   37    HZ   PHE   5           HZ       PHE   5  -1.305  -6.651   5.171
   38    H    GLY   6           H        GLY   6  -2.108  -0.972   6.593
   39   1HA   GLY   6          2HA       GLY   6  -4.103  -0.101   7.520
   40   2HA   GLY   6          1HA       GLY   6  -3.242   0.174   9.033
   41    H    LYS   7           H        LYS   7  -2.078   1.391   5.933
   42    HA   LYS   7           HA       LYS   7  -2.659   4.177   6.890
   43   1HB   LYS   7          2HB       LYS   7  -0.281   2.770   5.902
   44   2HB   LYS   7          1HB       LYS   7  -0.581   4.278   5.036
   45   1HG   LYS   7          2HG       LYS   7  -0.729   4.211   8.041
   46   2HG   LYS   7          1HG       LYS   7   0.834   4.348   7.234
   47   1HD   LYS   7          2HD       LYS   7   0.326   6.427   6.305
   48   2HD   LYS   7          1HD       LYS   7  -1.414   6.159   6.402
   49   1HE   LYS   7          2HE       LYS   7  -1.189   7.587   8.211
   50   2HE   LYS   7          1HE       LYS   7  -0.808   6.067   9.043
   51   1HZ   LYS   7          1HZ       LYS   7   0.933   7.721   9.400
   52   2HZ   LYS   7          2HZ       LYS   7   1.171   7.856   7.723
   53   3HZ   LYS   7          3HZ       LYS   7   1.528   6.399   8.522
   54    H    SER   8           H        SER   8  -4.080   5.265   5.598
   55    HA   SER   8           HA       SER   8  -5.429   4.309   3.356
   56   1HB   SER   8          2HB       SER   8  -5.808   6.394   4.786
   57   2HB   SER   8          1HB       SER   8  -4.616   7.198   3.769
   58    HG   SER   8           HG       SER   8  -6.705   7.526   2.958
   59    H    CYS   9           H        CYS   9  -4.604   3.625   1.430
   60    HA   CYS   9           HA       CYS   9  -2.439   5.246   0.131
   61   1HB   CYS   9          2HB       CYS   9  -1.373   3.331   1.101
   62   2HB   CYS   9          1HB       CYS   9  -2.676   2.261   0.585
   63    H    VAL  10           H        VAL  10  -2.669   5.448  -2.117
   64    HA   VAL  10           HA       VAL  10  -5.263   4.540  -3.259
   65    HB   VAL  10           HB       VAL  10  -3.108   6.455  -4.225
   66   1HG1  VAL  10          1HG1      VAL  10  -4.320   5.596  -6.132
   67   2HG1  VAL  10          2HG1      VAL  10  -4.936   7.213  -5.793
   68   3HG1  VAL  10          3HG1      VAL  10  -5.864   5.796  -5.303
   69   1HG2  VAL  10          1HG2      VAL  10  -5.708   6.797  -2.729
   70   2HG2  VAL  10          2HG2      VAL  10  -5.043   8.109  -3.702
   71   3HG2  VAL  10          3HG2      VAL  10  -4.121   7.465  -2.345
   72    HA   PRO  11           HA       PRO  11  -3.044   1.245  -5.297
   73   1HB   PRO  11          2HB       PRO  11  -5.112   0.414  -6.894
   74   2HB   PRO  11          1HB       PRO  11  -4.993   0.009  -5.170
   75   1HG   PRO  11          2HG       PRO  11  -6.606   2.132  -6.507
   76   2HG   PRO  11          1HG       PRO  11  -7.051   1.047  -5.179
   77   1HD   PRO  11          2HD       PRO  11  -6.341   3.625  -4.774
   78   2HD   PRO  11          1HD       PRO  11  -6.001   2.341  -3.591
   79    H    GLY  12           H        GLY  12  -1.697   1.454  -7.052
   80   1HA   GLY  12          2HA       GLY  12  -1.468   1.775  -9.503
   81   2HA   GLY  12          1HA       GLY  12  -2.637   3.089  -9.379
   82    H    LYS  13           H        LYS  13  -1.377   4.105  -6.859
   83    HA   LYS  13           HA       LYS  13   0.762   5.702  -8.140
   84   1HB   LYS  13          2HB       LYS  13  -1.026   5.836  -5.765
   85   2HB   LYS  13          1HB       LYS  13   0.545   6.617  -5.593
   86   1HG   LYS  13          2HG       LYS  13  -0.021   8.304  -6.989
   87   2HG   LYS  13          1HG       LYS  13  -0.728   7.198  -8.168
   88   1HD   LYS  13          2HD       LYS  13  -2.830   7.248  -7.159
   89   2HD   LYS  13          1HD       LYS  13  -2.175   7.707  -5.587
   90   1HE   LYS  13          2HE       LYS  13  -3.105   9.738  -6.300
   91   2HE   LYS  13          1HE       LYS  13  -1.442   9.904  -6.898
   92   1HZ   LYS  13          1HZ       LYS  13  -3.732   8.797  -8.442
   93   2HZ   LYS  13          2HZ       LYS  13  -2.137   8.946  -9.007
   94   3HZ   LYS  13          3HZ       LYS  13  -3.052  10.334  -8.663
   95    H    ASN  14           H        ASN  14   0.409   3.089  -5.819
   96    HA   ASN  14           HA       ASN  14   1.994   1.830  -4.620
   97   1HB   ASN  14          2HB       ASN  14   2.779   1.767  -7.055
   98   2HB   ASN  14          1HB       ASN  14   3.936   3.024  -6.619
   99   1HD2  ASN  14          1HD2      ASN  14   5.950   2.116  -6.203
  100   2HD2  ASN  14          2HD2      ASN  14   6.211   0.632  -5.423
  101    H    GLU  15           H        GLU  15   1.556   3.670  -2.949
  102    HA   GLU  15           HA       GLU  15   4.018   5.316  -2.491
  103   1HB   GLU  15          2HB       GLU  15   1.170   5.548  -1.453
  104   2HB   GLU  15          1HB       GLU  15   2.472   6.681  -1.092
  105   1HG   GLU  15          2HG       GLU  15   1.468   6.047  -3.887
  106   2HG   GLU  15          1HG       GLU  15   1.003   7.470  -2.954
  107    H    CYS  16           H        CYS  16   3.656   2.396  -1.770
  108    HA   CYS  16           HA       CYS  16   3.617   2.516   1.210
  109   1HB   CYS  16          2HB       CYS  16   3.595   0.253  -0.814
  110   2HB   CYS  16          1HB       CYS  16   3.530   0.021   0.933
  111    H    CYS  17           H        CYS  17   5.363   1.242   2.337
  112    HA   CYS  17           HA       CYS  17   8.003   2.019   1.396
  113   1HB   CYS  17          2HB       CYS  17   6.890   1.607   3.798
  114   2HB   CYS  17          1HB       CYS  17   7.577   0.000   3.562
  115    H    SER  18           H        SER  18   9.803   0.316   1.293
  116    HA   SER  18           HA       SER  18   9.387  -1.535  -0.815
  117   1HB   SER  18          2HB       SER  18  11.454  -1.201   1.360
  118   2HB   SER  18          1HB       SER  18  11.605  -2.475   0.153
  119    HG   SER  18           HG       SER  18  12.632  -0.414  -0.369
  120    H    GLY  19           H        GLY  19   8.512  -3.568  -0.842
  121   1HA   GLY  19          2HA       GLY  19   8.211  -5.802   0.053
  122   2HA   GLY  19          1HA       GLY  19   8.434  -5.152   1.676
  123    H    TYR  20           H        TYR  20   6.498  -2.879   0.490
  124    HA   TYR  20           HA       TYR  20   3.976  -4.399   1.061
  125   1HB   TYR  20          2HB       TYR  20   4.808  -1.580   1.839
  126   2HB   TYR  20          1HB       TYR  20   3.236  -2.300   2.186
  127    HD1  TYR  20           HD1      TYR  20   6.654  -1.967   3.259
  128    HD2  TYR  20           HD2      TYR  20   3.167  -4.455   3.578
  129    HE1  TYR  20           HE1      TYR  20   7.593  -3.017   5.298
  130    HE2  TYR  20           HE2      TYR  20   4.105  -5.506   5.619
  131    HH   TYR  20           HH       TYR  20   6.228  -4.351   7.474
  132    H    ALA  21           H        ALA  21   2.252  -3.973  -0.312
  133    HA   ALA  21           HA       ALA  21   2.647  -1.894  -2.442
  134   1HB   ALA  21          1HB       ALA  21   1.479  -3.591  -3.920
  135   2HB   ALA  21          2HB       ALA  21   1.618  -4.744  -2.593
  136   3HB   ALA  21          3HB       ALA  21   3.071  -4.097  -3.355
  137    H    CYS  22           H        CYS  22   0.718  -0.814  -3.088
  138    HA   CYS  22           HA       CYS  22  -1.322  -0.445  -1.122
  139   1HB   CYS  22          2HB       CYS  22  -0.461   0.876  -3.302
  140   2HB   CYS  22          1HB       CYS  22  -1.878   0.095  -4.005
  141    H    ASN  23           H        ASN  23  -3.426  -1.301  -0.958
  142    HA   ASN  23           HA       ASN  23  -4.053  -3.628  -2.754
  143   1HB   ASN  23          2HB       ASN  23  -3.408  -3.792  -0.174
  144   2HB   ASN  23          1HB       ASN  23  -5.106  -3.368   0.037
  145   1HD2  ASN  23          1HD2      ASN  23  -2.914  -5.909  -1.029
  146   2HD2  ASN  23          2HD2      ASN  23  -4.112  -7.083  -1.299
  147    H    SER  24           H        SER  24  -6.328  -3.952  -3.224
  148    HA   SER  24           HA       SER  24  -7.894  -1.431  -3.271
  149   1HB   SER  24          2HB       SER  24  -8.071  -4.153  -4.575
  150   2HB   SER  24          1HB       SER  24  -9.376  -2.980  -4.718
  151    HG   SER  24           HG       SER  24  -6.927  -3.049  -5.923
  152    H    ARG  25           H        ARG  25  -8.271  -4.822  -2.163
  153    HA   ARG  25           HA       ARG  25 -10.864  -4.468  -0.950
  154   1HB   ARG  25          2HB       ARG  25  -8.584  -6.437  -0.713
  155   2HB   ARG  25          1HB       ARG  25 -10.027  -6.602   0.287
  156   1HG   ARG  25          2HG       ARG  25 -10.766  -6.104  -2.469
  157   2HG   ARG  25          1HG       ARG  25  -9.695  -7.501  -2.363
  158   1HD   ARG  25          2HD       ARG  25 -12.026  -7.216  -0.460
  159   2HD   ARG  25          1HD       ARG  25 -12.244  -7.928  -2.071
  160    HE   ARG  25           HE       ARG  25  -9.999  -8.982  -0.448
  161   1HH1  ARG  25          1HH2      ARG  25 -12.660  -9.762   0.757
  162   2HH1  ARG  25          2HH2      ARG  25 -12.981 -11.264  -0.045
  163   1HH2  ARG  25          2HH1      ARG  25 -10.635 -10.729  -2.554
  164   2HH2  ARG  25          1HH1      ARG  25 -11.830 -11.813  -1.925
  165    H    ASP  26           H        ASP  26  -7.544  -4.101   0.249
  166    HA   ASP  26           HA       ASP  26  -8.456  -3.544   3.009
  167   1HB   ASP  26          2HB       ASP  26  -5.779  -3.647   1.592
  168   2HB   ASP  26          1HB       ASP  26  -5.950  -3.278   3.304
  169    H    LYS  27           H        LYS  27  -7.436  -1.813   0.128
  170    HA   LYS  27           HA       LYS  27  -7.447   0.476  -0.394
  171   1HB   LYS  27          2HB       LYS  27  -9.500  -0.012   1.424
  172   2HB   LYS  27          1HB       LYS  27  -8.656   1.379   2.109
  173   1HG   LYS  27          2HG       LYS  27  -9.008   1.578  -0.796
  174   2HG   LYS  27          1HG       LYS  27 -10.538   1.483   0.076
  175   1HD   LYS  27          2HD       LYS  27  -9.951   3.369   1.460
  176   2HD   LYS  27          1HD       LYS  27  -8.305   3.387   0.825
  177   1HE   LYS  27          2HE       LYS  27  -9.104   4.017  -1.388
  178   2HE   LYS  27          1HE       LYS  27 -10.790   3.851  -0.863
  179   1HZ   LYS  27          1HZ       LYS  27  -8.792   5.697   0.341
  180   2HZ   LYS  27          2HZ       LYS  27 -10.417   5.541   0.813
  181   3HZ   LYS  27          3HZ       LYS  27 -10.030   6.161  -0.720
  182    H    TRP  28           H        TRP  28  -5.375  -0.810   1.650
  183    HA   TRP  28           HA       TRP  28  -4.067   1.800   2.218
  184   1HB   TRP  28          2HB       TRP  28  -3.591   1.097   4.536
  185   2HB   TRP  28          1HB       TRP  28  -5.321   1.167   4.243
  186    HD1  TRP  28           HD1      TRP  28  -2.809  -1.719   3.515
  187    HE1  TRP  28           HE1      TRP  28  -3.698  -3.842   4.669
  188    HE3  TRP  28           HE3      TRP  28  -6.925   0.206   5.834
  189    HZ2  TRP  28           HZ2      TRP  28  -5.871  -4.622   6.360
  190    HZ3  TRP  28           HZ3      TRP  28  -8.386  -1.246   7.213
  191    HH2  TRP  28           HH2      TRP  28  -7.865  -3.655   7.480
  192    H    CYS  29           H        CYS  29  -1.760   1.099   3.332
  193    HA   CYS  29           HA       CYS  29  -0.334  -0.302   1.236
  194   1HB   CYS  29          2HB       CYS  29   0.259   0.961   3.887
  195   2HB   CYS  29          1HB       CYS  29   1.489  -0.073   3.160
  196    H    LYS  30           H        LYS  30  -0.646  -2.482   1.026
  197    HA   LYS  30           HA       LYS  30  -0.717  -4.180   3.495
  198   1HB   LYS  30          2HB       LYS  30  -2.425  -3.982   1.347
  199   2HB   LYS  30          1HB       LYS  30  -1.392  -5.322   0.849
  200   1HG   LYS  30          2HG       LYS  30  -1.913  -5.874   3.522
  201   2HG   LYS  30          1HG       LYS  30  -3.446  -5.236   2.931
  202   1HD   LYS  30          2HD       LYS  30  -3.862  -7.135   1.796
  203   2HD   LYS  30          1HD       LYS  30  -2.305  -7.035   0.976
  204   1HE   LYS  30          2HE       LYS  30  -2.089  -9.052   2.169
  205   2HE   LYS  30          1HE       LYS  30  -1.367  -7.892   3.303
  206   1HZ   LYS  30          1HZ       LYS  30  -4.237  -8.671   3.277
  207   2HZ   LYS  30          2HZ       LYS  30  -3.482  -7.638   4.395
  208   3HZ   LYS  30          3HZ       LYS  30  -3.083  -9.288   4.356
  209    H    VAL  31           H        VAL  31   0.232  -6.509   2.885
  210    HA   VAL  31           HA       VAL  31   3.038  -6.100   2.143
  211    HB   VAL  31           HB       VAL  31   2.039  -7.617   3.958
  212   1HG1  VAL  31          1HG1      VAL  31   1.097  -9.695   3.373
  213   2HG1  VAL  31          2HG1      VAL  31   1.690  -9.601   1.715
  214   3HG1  VAL  31          3HG1      VAL  31   0.352  -8.576   2.232
  215   1HG2  VAL  31          1HG2      VAL  31   3.821  -9.134   2.054
  216   2HG2  VAL  31          2HG2      VAL  31   3.858  -9.113   3.817
  217   3HG2  VAL  31          3HG2      VAL  31   4.409  -7.707   2.907
  218    H    LEU  32           H        LEU  32   4.072  -7.544   0.446
  219    HA   LEU  32           HA       LEU  32   2.853  -7.244  -2.119
  220   1HB   LEU  32          2HB       LEU  32   5.280  -8.289  -0.928
  221   2HB   LEU  32          1HB       LEU  32   4.743  -9.339  -2.239
  222    HG   LEU  32           HG       LEU  32   6.249  -7.524  -3.039
  223   1HD1  LEU  32          1HD1      LEU  32   3.370  -7.566  -3.955
  224   2HD1  LEU  32          2HD1      LEU  32   4.764  -8.354  -4.694
  225   3HD1  LEU  32          3HD1      LEU  32   4.593  -6.600  -4.781
  226   1HD2  LEU  32          1HD2      LEU  32   5.401  -5.862  -1.297
  227   2HD2  LEU  32          2HD2      LEU  32   3.989  -5.637  -2.328
  228   3HD2  LEU  32          3HD2      LEU  32   5.593  -5.219  -2.928
  229    H    LEU  33           H        LEU  33   3.349 -10.226  -0.207
  230    HA   LEU  33           HA       LEU  33   0.929 -11.390  -1.540
  231   1HB   LEU  33          1HB       LEU  33   3.719 -12.500  -1.179
  232   2HB   LEU  33          2HB       LEU  33   2.338 -13.561  -1.461
  233    HG   LEU  33           HG       LEU  33   2.238 -11.375  -3.328
  234   1HD1  LEU  33          1HD1      LEU  33   4.772 -11.486  -2.765
  235   2HD1  LEU  33          2HD1      LEU  33   4.745 -13.019  -3.638
  236   3HD1  LEU  33          3HD1      LEU  33   4.296 -11.525  -4.463
  237   1HD2  LEU  33          1HD2      LEU  33   1.198 -13.615  -3.578
  238   2HD2  LEU  33          2HD2      LEU  33   2.233 -13.220  -4.949
  239   3HD2  LEU  33          3HD2      LEU  33   2.804 -14.333  -3.705
  240   1HN   NH2  34          1HN       NH2  34   1.821 -13.649   1.618
  241   2HN   NH2  34          2HN       NH2  34   2.603 -13.607   0.022
  Start of MODEL   20
    1   1H    GLU   1          1H        GLU   1   2.040   4.855 -13.266
    2   2H    GLU   1          2H        GLU   1   1.491   3.247 -13.307
    3   3H    GLU   1          3H        GLU   1   2.637   3.727 -12.148
    4    HA   GLU   1           HA       GLU   1   1.043   5.095 -11.014
    5   1HB   GLU   1          2HB       GLU   1   0.059   5.697 -13.315
    6   2HB   GLU   1          1HB       GLU   1  -0.910   4.231 -13.165
    7   1HG   GLU   1          2HG       GLU   1  -2.361   5.274 -11.798
    8   2HG   GLU   1          1HG       GLU   1  -1.055   5.743 -10.710
    9    H    CYS   2           H        CYS   2   1.935   2.782 -10.168
   10    HA   CYS   2           HA       CYS   2  -0.285   1.416  -8.944
   11   1HB   CYS   2          2HB       CYS   2   0.490   0.614 -11.615
   12   2HB   CYS   2          1HB       CYS   2   0.784  -0.711 -10.490
   13    H    LYS   3           H        LYS   3   0.688   0.927  -7.008
   14    HA   LYS   3           HA       LYS   3   3.585   0.452  -6.818
   15   1HB   LYS   3          2HB       LYS   3   1.268   0.515  -4.862
   16   2HB   LYS   3          1HB       LYS   3   2.934   0.221  -4.362
   17   1HG   LYS   3          2HG       LYS   3   2.257   2.622  -6.050
   18   2HG   LYS   3          1HG       LYS   3   2.026   2.667  -4.302
   19   1HD   LYS   3          2HD       LYS   3   4.268   2.670  -3.870
   20   2HD   LYS   3          1HD       LYS   3   4.631   1.586  -5.214
   21   1HE   LYS   3          2HE       LYS   3   4.403   3.419  -6.817
   22   2HE   LYS   3          1HE       LYS   3   3.907   4.524  -5.520
   23   1HZ   LYS   3          1HZ       LYS   3   6.296   4.684  -5.990
   24   2HZ   LYS   3          2HZ       LYS   3   6.485   3.040  -5.607
   25   3HZ   LYS   3          3HZ       LYS   3   6.003   4.145  -4.409
   26    H    GLY   4           H        GLY   4   4.288  -1.511  -5.415
   27   1HA   GLY   4          2HA       GLY   4   2.770  -3.933  -6.313
   28   2HA   GLY   4          1HA       GLY   4   4.525  -3.888  -6.149
   29    H    PHE   5           H        PHE   5   4.941  -5.295  -4.498
   30    HA   PHE   5           HA       PHE   5   3.393  -4.973  -1.946
   31   1HB   PHE   5          2HB       PHE   5   3.078  -7.138  -2.974
   32   2HB   PHE   5          1HB       PHE   5   4.808  -7.316  -3.257
   33    HD1  PHE   5           HD1      PHE   5   2.579  -6.493  -0.333
   34    HD2  PHE   5           HD2      PHE   5   5.886  -8.791  -1.833
   35    HE1  PHE   5           HE1      PHE   5   2.842  -7.569   1.886
   36    HE2  PHE   5           HE2      PHE   5   6.147  -9.865   0.386
   37    HZ   PHE   5           HZ       PHE   5   4.625  -9.254   2.245
   38    H    GLY   6           H        GLY   6   4.566  -4.239  -0.210
   39   1HA   GLY   6          2HA       GLY   6   6.430  -3.939   1.219
   40   2HA   GLY   6          1HA       GLY   6   7.415  -4.858   0.081
   41    H    LYS   7           H        LYS   7   5.439  -1.995  -0.660
   42    HA   LYS   7           HA       LYS   7   7.971  -0.533  -1.357
   43   1HB   LYS   7          2HB       LYS   7   5.236  -0.516  -2.682
   44   2HB   LYS   7          1HB       LYS   7   6.608   0.466  -3.192
   45   1HG   LYS   7          2HG       LYS   7   6.619  -2.567  -3.076
   46   2HG   LYS   7          1HG       LYS   7   6.352  -1.625  -4.543
   47   1HD   LYS   7          2HD       LYS   7   8.559  -0.628  -4.375
   48   2HD   LYS   7          1HD       LYS   7   8.828  -1.389  -2.808
   49   1HE   LYS   7          2HE       LYS   7   8.211  -3.083  -5.233
   50   2HE   LYS   7          1HE       LYS   7   9.868  -2.546  -4.897
   51   1HZ   LYS   7          1HZ       LYS   7   8.082  -3.993  -3.007
   52   2HZ   LYS   7          2HZ       LYS   7   9.638  -3.417  -2.636
   53   3HZ   LYS   7          3HZ       LYS   7   9.436  -4.645  -3.792
   54    H    SER   8           H        SER   8   8.207   1.392  -0.290
   55    HA   SER   8           HA       SER   8   6.492   2.319   1.756
   56   1HB   SER   8          2HB       SER   8   8.676   3.487   0.057
   57   2HB   SER   8          1HB       SER   8   7.811   4.536   1.179
   58    HG   SER   8           HG       SER   8   9.518   2.378   1.658
   59    H    CYS   9           H        CYS   9   4.555   3.398   1.697
   60    HA   CYS   9           HA       CYS   9   3.901   5.083  -0.686
   61   1HB   CYS   9          2HB       CYS   9   1.853   3.921  -1.057
   62   2HB   CYS   9          1HB       CYS   9   3.056   2.654  -0.830
   63    H    VAL  10           H        VAL  10   1.459   6.000  -0.080
   64    HA   VAL  10           HA       VAL  10   1.800   7.209   2.639
   65    HB   VAL  10           HB       VAL  10   0.247   8.142   0.200
   66   1HG1  VAL  10          1HG1      VAL  10  -0.788   9.243   1.965
   67   2HG1  VAL  10          2HG1      VAL  10   0.539  10.356   1.632
   68   3HG1  VAL  10          3HG1      VAL  10   0.661   9.214   2.969
   69   1HG2  VAL  10          1HG2      VAL  10   2.479   8.403  -0.442
   70   2HG2  VAL  10          2HG2      VAL  10   3.032   8.653   1.214
   71   3HG2  VAL  10          3HG2      VAL  10   2.173   9.940   0.366
   72    HA   PRO  11           HA       PRO  11  -1.835   4.659   3.477
   73   1HB   PRO  11          2HB       PRO  11  -1.762   5.003   6.191
   74   2HB   PRO  11          1HB       PRO  11  -0.736   3.832   5.339
   75   1HG   PRO  11          2HG       PRO  11  -0.061   6.537   6.378
   76   2HG   PRO  11          1HG       PRO  11   0.910   5.057   6.368
   77   1HD   PRO  11          2HD       PRO  11   1.256   7.101   4.593
   78   2HD   PRO  11          1HD       PRO  11   1.659   5.406   4.235
   79    H    GLY  12           H        GLY  12  -3.939   5.394   3.521
   80   1HA   GLY  12          2HA       GLY  12  -5.703   6.800   4.485
   81   2HA   GLY  12          1HA       GLY  12  -4.495   8.058   4.754
   82    H    LYS  13           H        LYS  13  -3.222   7.936   2.202
   83    HA   LYS  13           HA       LYS  13  -5.226   9.392   0.587
   84   1HB   LYS  13          2HB       LYS  13  -2.238   8.919   0.469
   85   2HB   LYS  13          1HB       LYS  13  -3.097   9.775  -0.810
   86   1HG   LYS  13          2HG       LYS  13  -4.067  11.029   1.430
   87   2HG   LYS  13          1HG       LYS  13  -2.411  10.670   1.917
   88   1HD   LYS  13          2HD       LYS  13  -2.763  11.758  -0.828
   89   2HD   LYS  13          1HD       LYS  13  -3.074  12.876   0.500
   90   1HE   LYS  13          2HE       LYS  13  -0.788  13.190   0.329
   91   2HE   LYS  13          1HE       LYS  13  -0.762  11.767   1.388
   92   1HZ   LYS  13          1HZ       LYS  13  -0.760  11.670  -1.585
   93   2HZ   LYS  13          2HZ       LYS  13  -0.648  10.340  -0.534
   94   3HZ   LYS  13          3HZ       LYS  13   0.617  11.470  -0.617
   95    H    ASN  14           H        ASN  14  -4.266   6.159   0.835
   96    HA   ASN  14           HA       ASN  14  -4.510   4.296  -0.588
   97   1HB   ASN  14          2HB       ASN  14  -6.751   5.677  -0.664
   98   2HB   ASN  14          1HB       ASN  14  -6.247   6.049  -2.314
   99   1HD2  ASN  14          1HD2      ASN  14  -8.016   3.821  -0.534
  100   2HD2  ASN  14          2HD2      ASN  14  -7.932   2.502  -1.600
  101    H    GLU  15           H        GLU  15  -2.142   5.348  -1.099
  102    HA   GLU  15           HA       GLU  15  -1.939   6.046  -3.991
  103   1HB   GLU  15          2HB       GLU  15  -0.135   6.240  -1.567
  104   2HB   GLU  15          1HB       GLU  15   0.480   6.507  -3.198
  105   1HG   GLU  15          2HG       GLU  15  -1.824   8.041  -3.158
  106   2HG   GLU  15          1HG       GLU  15  -1.186   8.251  -1.526
  107    H    CYS  16           H        CYS  16  -2.614   3.555  -4.129
  108    HA   CYS  16           HA       CYS  16  -0.082   2.038  -4.566
  109   1HB   CYS  16          2HB       CYS  16  -2.264   1.513  -2.623
  110   2HB   CYS  16          1HB       CYS  16  -1.716   0.110  -3.539
  111    H    CYS  17           H        CYS  17  -0.804  -0.193  -5.669
  112    HA   CYS  17           HA       CYS  17  -2.291   0.513  -8.091
  113   1HB   CYS  17          2HB       CYS  17  -0.216  -0.965  -7.839
  114   2HB   CYS  17          1HB       CYS  17  -1.287  -2.196  -7.173
  115    H    SER  18           H        SER  18  -4.140  -0.851  -8.859
  116    HA   SER  18           HA       SER  18  -6.320  -0.987  -7.042
  117   1HB   SER  18          2HB       SER  18  -5.649  -2.123  -9.745
  118   2HB   SER  18          1HB       SER  18  -7.147  -2.611  -8.959
  119    HG   SER  18           HG       SER  18  -6.308  -0.073  -9.837
  120    H    GLY  19           H        GLY  19  -6.707  -2.445  -5.415
  121   1HA   GLY  19          2HA       GLY  19  -7.039  -4.783  -4.726
  122   2HA   GLY  19          1HA       GLY  19  -5.646  -5.223  -5.713
  123    H    TYR  20           H        TYR  20  -3.843  -3.200  -4.902
  124    HA   TYR  20           HA       TYR  20  -3.162  -4.188  -2.185
  125   1HB   TYR  20          2HB       TYR  20  -1.771  -2.879  -4.499
  126   2HB   TYR  20          1HB       TYR  20  -1.048  -2.743  -2.896
  127    HD1  TYR  20           HD1      TYR  20  -2.504  -5.283  -5.239
  128    HD2  TYR  20           HD2      TYR  20   0.284  -4.486  -2.069
  129    HE1  TYR  20           HE1      TYR  20  -1.615  -7.588  -5.440
  130    HE2  TYR  20           HE2      TYR  20   1.172  -6.792  -2.271
  131    HH   TYR  20           HH       TYR  20  -0.261  -9.213  -3.516
  132    H    ALA  21           H        ALA  21  -3.116  -2.856  -0.388
  133    HA   ALA  21           HA       ALA  21  -3.861   0.030  -0.776
  134   1HB   ALA  21          1HB       ALA  21  -4.644  -1.967   1.374
  135   2HB   ALA  21          2HB       ALA  21  -5.692  -1.352   0.095
  136   3HB   ALA  21          3HB       ALA  21  -5.116  -0.267   1.360
  137    H    CYS  22           H        CYS  22  -3.095   1.453   1.009
  138    HA   CYS  22           HA       CYS  22  -0.327   0.864   1.751
  139   1HB   CYS  22          2HB       CYS  22  -2.287   3.125   2.008
  140   2HB   CYS  22          1HB       CYS  22  -0.812   3.164   2.974
  141    H    ASN  23           H        ASN  23   0.290  -0.127   3.625
  142    HA   ASN  23           HA       ASN  23  -1.731  -0.639   5.742
  143   1HB   ASN  23          2HB       ASN  23   0.303  -2.091   4.516
  144   2HB   ASN  23          1HB       ASN  23   0.988  -1.682   6.089
  145   1HD2  ASN  23          1HD2      ASN  23   0.465  -3.156   7.707
  146   2HD2  ASN  23          2HD2      ASN  23  -0.928  -4.126   7.732
  147    H    SER  24           H        SER  24  -1.424   0.029   7.911
  148    HA   SER  24           HA       SER  24   0.303   2.398   8.285
  149   1HB   SER  24          2HB       SER  24  -0.970   2.562  10.396
  150   2HB   SER  24          1HB       SER  24  -2.058   2.320   9.033
  151    HG   SER  24           HG       SER  24  -2.286   0.953  11.035
  152    H    ARG  25           H        ARG  25   0.337  -1.009   9.079
  153    HA   ARG  25           HA       ARG  25   2.063  -0.912  11.387
  154   1HB   ARG  25          2HB       ARG  25   0.635  -2.796   9.911
  155   2HB   ARG  25          1HB       ARG  25   2.318  -3.259   9.651
  156   1HG   ARG  25          2HG       ARG  25   2.214  -2.657  12.370
  157   2HG   ARG  25          1HG       ARG  25   0.685  -3.484  12.065
  158   1HD   ARG  25          2HD       ARG  25   2.031  -5.339  12.417
  159   2HD   ARG  25          1HD       ARG  25   2.331  -5.121  10.680
  160    HE   ARG  25           HE       ARG  25   4.173  -3.425  11.869
  161   1HH1  ARG  25          2HH1      ARG  25   5.204  -5.721  10.386
  162   2HH1  ARG  25          1HH1      ARG  25   5.970  -6.685  11.605
  163   1HH2  ARG  25          1HH2      ARG  25   4.336  -5.116  14.241
  164   2HH2  ARG  25          2HH2      ARG  25   5.476  -6.341  13.796
  165    H    ASP  26           H        ASP  26   2.746  -1.479   7.911
  166    HA   ASP  26           HA       ASP  26   5.658  -1.045   8.467
  167   1HB   ASP  26          2HB       ASP  26   4.021  -2.534   6.438
  168   2HB   ASP  26          1HB       ASP  26   5.662  -2.039   6.020
  169    H    LYS  27           H        LYS  27   2.960   0.638   7.288
  170    HA   LYS  27           HA       LYS  27   2.721   2.629   6.060
  171   1HB   LYS  27          2HB       LYS  27   5.062   2.705   7.630
  172   2HB   LYS  27          1HB       LYS  27   5.532   3.370   6.066
  173   1HG   LYS  27          2HG       LYS  27   4.414   5.280   6.485
  174   2HG   LYS  27          1HG       LYS  27   2.935   4.384   6.829
  175   1HD   LYS  27          2HD       LYS  27   4.195   3.848   9.107
  176   2HD   LYS  27          1HD       LYS  27   5.056   5.337   8.714
  177   1HE   LYS  27          2HE       LYS  27   2.980   6.593   8.620
  178   2HE   LYS  27          1HE       LYS  27   2.026   5.107   8.797
  179   1HZ   LYS  27          1HZ       LYS  27   2.343   6.243  10.934
  180   2HZ   LYS  27          2HZ       LYS  27   4.027   6.098  10.766
  181   3HZ   LYS  27          3HZ       LYS  27   3.062   4.707  10.930
  182    H    TRP  28           H        TRP  28   3.128   0.233   4.512
  183    HA   TRP  28           HA       TRP  28   4.389   1.438   2.088
  184   1HB   TRP  28          2HB       TRP  28   5.575  -0.658   1.665
  185   2HB   TRP  28          1HB       TRP  28   6.006  -0.040   3.252
  186    HD1  TRP  28           HD1      TRP  28   2.650  -1.516   3.543
  187    HE1  TRP  28           HE1      TRP  28   2.779  -3.899   4.503
  188    HE3  TRP  28           HE3      TRP  28   7.649  -2.390   3.038
  189    HZ2  TRP  28           HZ2      TRP  28   4.747  -5.917   4.993
  190    HZ3  TRP  28           HZ3      TRP  28   8.628  -4.549   3.759
  191    HH2  TRP  28           HH2      TRP  28   7.184  -6.313   4.735
  192    H    CYS  29           H        CYS  29   3.979  -0.535   0.270
  193    HA   CYS  29           HA       CYS  29   1.030  -0.596   0.053
  194   1HB   CYS  29          2HB       CYS  29   2.894   0.041  -1.708
  195   2HB   CYS  29          1HB       CYS  29   2.961  -1.703  -1.965
  196    H    LYS  30           H        LYS  30  -0.083  -2.373   0.705
  197    HA   LYS  30           HA       LYS  30   1.230  -5.062   0.508
  198   1HB   LYS  30          2HB       LYS  30   0.790  -3.650   2.828
  199   2HB   LYS  30          1HB       LYS  30  -0.684  -4.613   2.716
  200   1HG   LYS  30          2HG       LYS  30   1.645  -6.214   2.055
  201   2HG   LYS  30          1HG       LYS  30   1.820  -5.482   3.649
  202   1HD   LYS  30          2HD       LYS  30  -0.800  -6.749   2.926
  203   2HD   LYS  30          1HD       LYS  30   0.553  -7.788   3.374
  204   1HE   LYS  30          2HE       LYS  30   0.086  -7.365   5.550
  205   2HE   LYS  30          1HE       LYS  30   0.506  -5.664   5.270
  206   1HZ   LYS  30          1HZ       LYS  30  -2.141  -6.909   4.723
  207   2HZ   LYS  30          2HZ       LYS  30  -1.732  -5.286   4.426
  208   3HZ   LYS  30          3HZ       LYS  30  -1.788  -5.872   6.019
  209    H    VAL  31           H        VAL  31  -0.345  -6.826   0.239
  210    HA   VAL  31           HA       VAL  31  -2.548  -6.160  -1.498
  211    HB   VAL  31           HB       VAL  31  -1.182  -8.281  -1.457
  212   1HG1  VAL  31          1HG1      VAL  31  -1.478  -9.919   0.205
  213   2HG1  VAL  31          2HG1      VAL  31  -2.973  -9.188   0.791
  214   3HG1  VAL  31          3HG1      VAL  31  -1.422  -8.420   1.133
  215   1HG2  VAL  31          1HG2      VAL  31  -4.032  -7.963  -1.808
  216   2HG2  VAL  31          2HG2      VAL  31  -3.677  -9.595  -1.244
  217   3HG2  VAL  31          3HG2      VAL  31  -2.913  -8.985  -2.712
  218    H    LEU  32           H        LEU  32  -4.728  -5.907  -1.033
  219    HA   LEU  32           HA       LEU  32  -5.498  -5.911   1.865
  220   1HB   LEU  32          2HB       LEU  32  -5.533  -3.748   0.702
  221   2HB   LEU  32          1HB       LEU  32  -6.567  -4.421  -0.556
  222    HG   LEU  32           HG       LEU  32  -7.705  -4.909   2.070
  223   1HD1  LEU  32          1HD1      LEU  32  -7.269  -2.009   1.294
  224   2HD1  LEU  32          2HD1      LEU  32  -6.448  -2.825   2.625
  225   3HD1  LEU  32          3HD1      LEU  32  -8.196  -2.592   2.676
  226   1HD2  LEU  32          1HD2      LEU  32  -9.176  -5.039   0.254
  227   2HD2  LEU  32          2HD2      LEU  32  -8.488  -3.618  -0.532
  228   3HD2  LEU  32          3HD2      LEU  32  -9.528  -3.428   0.879
  229    H    LEU  33           H        LEU  33  -7.143  -7.269   2.506
  230    HA   LEU  33           HA       LEU  33  -8.721  -8.674   0.368
  231   1HB   LEU  33          1HB       LEU  33  -7.495  -9.629   2.969
  232   2HB   LEU  33          2HB       LEU  33  -8.690 -10.575   2.081
  233    HG   LEU  33           HG       LEU  33  -6.714  -9.697   0.213
  234   1HD1  LEU  33          1HD1      LEU  33  -5.657 -10.728   2.837
  235   2HD1  LEU  33          2HD1      LEU  33  -4.814 -11.100   1.333
  236   3HD1  LEU  33          3HD1      LEU  33  -5.034  -9.422   1.829
  237   1HD2  LEU  33          1HD2      LEU  33  -8.250 -11.849   0.499
  238   2HD2  LEU  33          2HD2      LEU  33  -6.725 -11.942  -0.382
  239   3HD2  LEU  33          3HD2      LEU  33  -6.811 -12.492   1.291
  240   1HN   NH2  34          1HN       NH2  34 -10.340  -6.448   3.154
  241   2HN   NH2  34          2HN       NH2  34  -8.725  -6.414   2.414