*HEADER    TOXIN                                   14-JUL-05   2AAP              
*TITLE     SOLUTION STRUCTURE OF JINGZHAOTOXIN-VII                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: JINGZHAOTOXIN-VII;                                         
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CHILOBRACHYS JINGZHAO;                          
*SOURCE   3 ORGANISM_COMMON: CHINESE SPIDER                                      
*KEYWDS    SPIDER TOXIN, ICK MOTIF                                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.LIAO, S.P.LIANG                                                     
*REVDAT   1   02-AUG-05 2AAP    0                                                

!C2
assign (resid 2 and name HN)(resid 2 and name HB#) 5.0 3.2 1.0
assign (resid 2 and name HN)(resid 1 and name HA#) 2.7 0.9 1.0

assign (resid 2 and name HA)(resid 2 and name HB#) 3.5 1.7 1.0

!G3
assign (resid 3 and name HN)(resid 4 and name HN) 5.0 3.2 0.0
assign (resid 3 and name HN)(resid 16 and name HA) 2.7 0.9 0.0
assign (resid 3 and name HN)(resid 3 and name HA#) 2.7 0.9 1.0
assign (resid 3 and name HN)(resid 2 and name HA) 5.0 3.2 0.0
assign (resid 3 and name HN)(resid 2 and name HB#) 3.5 1.7 1.0
assign (resid 3 and name HN)(resid 7 and name HB#) 5.0 3.2 1.0
assign (resid 3 and name HN)(resid 17 and name HA) 5.0 3.2 0.0
assign (resid 3 and name HN)(resid 15 and name HD#) 6.0 4.2 2.4

assign (resid 3 and name HA#)(resid 7 and name HB#) 3.5 1.7 2.0
assign (resid 3 and name HA#)(resid 4 and name HA#) 3.5 1.7 2.0

!G4
assign (resid 4 and name HN)(resid 5 and name HN) 5.0 3.2 0.0
assign (resid 4 and name HN)(resid 3 and name HA#) 2.7 0.9 1.0
assign (resid 4 and name HN)(resid 4 and name HA#) 2.7 0.9 1.0 
assign (resid 4 and name HN)(resid 7 and name HB#) 2.7 0.9 1.0
assign (resid 4 and name HN)(resid 16 and name HA) 6.0 4.2 0.0

assign (resid 4 and name HA#)(resid 5 and name HD#) 5.0 3.2 3.4 

!L5
assign (resid 5 and name HN)(resid 20 and name HE# ) 3.5 1.7 2.4
assign (resid 5 and name HN)(resid 29 and name HB#) 6.0 4.2 1.0
assign (resid 5 and name HN)(resid 4 and name HA#) 2.7 0.9 1.0
assign (resid 5 and name HN)(resid 5 and name HA) 3.5 1.7 0.0
assign (resid 5 and name HN)(resid 5 and name HB#) 3.5 1.7 1.0
assign (resid 5 and name HN)(resid 5 and name HG) 5.0 3.2 0.0
assign (resid 5 and name HN)(resid 5 and name HD#) 5.0 3.2 2.4

assign (resid 5 and name HA)(resid 5 and name HB#) 2.7 0.9 1.0
assign (resid 5 and name HA)(resid 5 and name HG) 5.0 3.2 0.0
assign (resid 5 and name HA)(resid 5 and name HD#) 5.0 3.2 2.4
assign (resid 5 and name HA)(resid 6 and name HB#) 6.0 4.2 1.0
assign (resid 5 and name HB#)(resid 5 and name HG) 2.7 0.9 1.0
assign (resid 5 and name HB#)(resid 5 and name HD#) 3.5 1.7 3.4
assign (resid 5 and name HG)(resid 5 and name HD#) 2.7 0.9 2.4


!M6
assign (resid 6 and name HN)(resid 29 and name HB#) 5.0 3.2 1.0
assign (resid 6 and name HN)(resid 29 and name HN) 5.0 3.2 0.0
assign (resid 6 and name HN)(resid 6 and name HA) 3.5 1.7 0.0
assign (resid 6 and name HN)(resid 6 and name HB#) 3.5 1.7 1.0
assign (resid 6 and name HN)(resid 5 and name HB#) 3.5 1.7 1.0 
assign (resid 6 and name HN)(resid 6 and name HG#) 5.0 3.2 1.0
assign (resid 6 and name HN)(resid 5 and name HD#) 5.0 3.2 2.4
assign (resid 6 and name HN)(resid 5 and name HA) 3.5 1.7 0.0
assign (resid 6 and name HN)(resid 7 and name HN) 2.7 0.9 0.0
assign (resid 6 and name HN)(resid 5 and name HN) 3.5 1.7 0.0 
assign (resid 6 and name HN)(resid 28 and name HD1) 5.0 3.2 0.0
assign (resid 6 and name HN)(resid 20 and name HE#) 5.0 3.2 2.4
assign (resid 6 and name HN)(resid 20 and name HD#) 5.0 3.2 2.4
assign (resid 6 and name HN)(resid 7 and name HB#) 5.0 3.2 1.0
assign (resid 6 and name HA)(resid 6 and name HB#) 3.5 1.7 1.0
assign (resid 6 and name HA)(resid 6 and name HG#) 3.5 1.7 1.0
assign (resid 6 and name HB#)(resid 6 and name HG#) 2.7 0.9 2.0
assign (resid 6 and name HB#)(resid 5 and name HD#) 3.5 1.7 3.4

!A7
assign (resid 7 and name HN)(resid 28 and name HA) 5.0 3.2 0.0
assign (resid 7 and name HN)(resid 7 and name HA) 3.5 1.7 0.0
assign (resid 7 and name HN)(resid 29 and name HB#) 3.5 1.7 1.0
assign (resid 7 and name HN)(resid 6 and name HA) 3.5 1.7 0.0
assign (resid 7 and name HN)(resid 6 and name HB#) 5.0 3.2 1.0
assign (resid 7 and name HN)(resid 7 and name HB#) 2.7 0.9 1.0
assign (resid 7 and name HN)(resid 5 and name HD#) 5.0 3.2 2.4

assign (resid 7 and name HA)(resid 7 and name HB#) 3.5 1.7 1.0

!G8
assign (resid 8 and name HN)(resid 29 and name HB#) 5.0 3.2 1.0
assign (resid 8 and name HN)(resid 28 and name HA) 5.0 3.2 0.0
assign (resid 8 and name HN)(resid 7 and name HA) 2.7 0.9 0.0
assign (resid 8 and name HN)(resid 8 and name HA#) 2.7 3.5 1.0
assign (resid 8 and name HN)(resid 7 and name HB#) 3.5 1.7 1.0
assign (resid 8 and name HN)(resid 9 and name HN) 5.0 3.2 0.0
assign (resid 8 and name HN)(resid 7 and name HN) 5.0 3.2 0.0

!C9
assign (resid 9 and name HN)(resid 9 and name HA) 5.0 3.2 0.0
assign (resid 9 and name HN)(resid 8 and name HA#) 2.7 0.9 1.0
assign (resid 9 and name HN)(resid 9 and name HB#) 3.5 1.7 1.0
assign (resid 9 and name HN)(resid 28 and name HA) 2.7 0.9 0.0
assign (resid 9 and name HN)(resid 28 and name HB#) 5.0 3.2 1.0

assign (resid 9 and name HA)(resid 9 and name HB#) 3.5 1.7 1.0

!D10
assign (resid 10 and name HN)(resid 9 and name HN) 3.5 1.7 0.0
assign (resid 10 and name HN)(resid 9 and name HA) 3.5 1.7 0.0
assign (resid 10 and name HN)(resid 9 and name HB#) 3.5 1.7 1.0
assign (resid 10 and name HN)(resid 10 and name HA) 3.5 1.7 0.0
assign (resid 10 and name HN)(resid 14 and name HB) 5.0 3.2 0.0
assign (resid 10 and name HN)(resid 10 and name HB#) 3.5 1.7 1.0
assign (resid 10 and name HN)(resid 14 and name HG2#) 5.0 3.2 1.0
assign (resid 10 and name HN)(resid 27 and name HB#) 5.0 3.2 1.0
assign (resid 10 and name HN)(resid 28 and name HA) 6.0 4.2 0.0

assign (resid 10 and name HA)(resid 27 and name HB#) 5.0 3.2 1.0
assign (resid 10 and name HA)(resid 27 and name HG#) 5.0 3.2 1.0
assign (resid 10 and name HA)(resid 27 and name HD#) 3.5 1.7 1.0
assign (resid 10 and name HA)(resid 10 and name HB#) 2.7 0.9 1.0
assign (resid 10 and name HA)(resid 11 and name HA#) 5.0 3.2 1.0

!G11
assign (resid 11 and name HN)(resid 10 and name HA) 3.5 1.7 0.0
assign (resid 11 and name HN)(resid 11 and name HA#) 2.7 0.9 1.0
assign (resid 11 and name HN)(resid 10 and name HB#) 3.5 1.7 1.0
assign (resid 11 and name HN)(resid 12 and name HB#) 5.0 3.2 1.0
assign (resid 11 and name HN)(resid 12 and name HG#) 6.0 4.2 1.0
assign (resid 11 and name HN)(resid 13 and name HN) 5.0 3.2 0.0
assign (resid 11 and name HN)(resid 27 and name HE#) 5.0 3.2 1.0
assign (resid 11 and name HA#)(resid 14 and name HA) 5.0 3.2 1.0

!K12
assign (resid 12 and name HN)(resid 12 and name HA) 3.5 1.7 0.0
assign (resid 12 and name HN)(resid 13 and name HB#) 5.0 3.2 1.0
assign (resid 12 and name HN)(resid 11 and name HA#) 3.5 1.7 1.0
assign (resid 12 and name HN)(resid 12 and name HB#) 2.7 0.9 1.0
assign (resid 12 and name HN)(resid 12 and name HG#) 3.5 1.7 1.0
assign (resid 12 and name HN)(resid 14 and name HN) 5.0 3.2 0.0
assign (resid 12 and name HN)(resid 11 and name HN) 5.0 3.2 0.0

assign (resid 12 and name HZ#)(resid 13 and name HB#) 5.0 3.2 1.0
assign (resid 12 and name HZ#)(resid 12 and name HA) 5.0 3.2 1.0
assign (resid 12 and name HZ#)(resid 11 and name HA#) 3.5 1.7 2.0
assign (resid 12 and name HA)(resid 12 and name HB#) 2.7 0.9 1.0
assign (resid 12 and name HA)(resid 12 and name HG#) 3.5 1.7 1.0
assign (resid 12 and name HA)(resid 22 and name HB#) 5.0 3.2 1.0
assign (resid 12 and name HB#)(resid 12 and name HG#) 2.7 0.9 2.0
assign (resid 12 and name HG#)(resid 12 and name HD#) 2.7 0.9 2.0

!S13
assign (resid 13 and name HN)(resid 11 and name HA#) 5.0 3.2 1.0
assign (resid 13 and name HN)(resid 12 and name HN) 2.7 0.9 0.0
assign (resid 13 and name HN)(resid 14 and name HN) 2.7 0.9 0.0
assign (resid 13 and name HN)(resid 13 and name HA) 3.5 1.7 0.0
assign (resid 13 and name HN)(resid 12 and name HA) 3.5 1.7 0.0
assign (resid 13 and name HN)(resid 13 and name HB#) 2.7 0.9 1.0
assign (resid 13 and name HN)(resid 12 and name HB#) 3.5 1.7 1.0
assign (resid 13 and name HN)(resid 12 and name HG#) 5.0 3.2 1.0

assign (resid 13 and name HA)(resid 13 and name HB#) 2.7 0.9 1.0

!T14
assign (resid 14 and name HN)(resid 14 and name HA) 3.5 1.7 0.0
assign (resid 14 and name HN)(resid 14 and name HG2#) 5.0 3.2 1.0
assign (resid 14 and name HN)(resid 14 and name HB) 5.0 3.2 0.0
assign (resid 14 and name HN)(resid 13 and name HA) 5.0 3.2 0.0
assign (resid 14 and name HN)(resid 13 and name HB#) 3.5 1.7 1.0
assign (resid 14 and name HN)(resid 12 and name HA) 5.0 3.2 0.0

assign (resid 14 and name HA)(resid 14 and name HB) 3.5 1.7 0.0
assign (resid 14 and name HA)(resid 14 and name HG2#) 5.0 3.2 1.0
assign (resid 14 and name HB)(resid 14 and name HG2#) 2.7 0.9 1.0
assign (resid 14 and name HB)(resid 9 and name HB#) 3.5 1.7 1.0

!F15
assign (resid 15 and name HN)(resid 14 and name HN) 5.0 3.2 0.0
assign (resid 15 and name HN)(resid 15 and name HD#) 3.5 1.7 2.4
assign (resid 15 and name HN)(resid 14 and name HB) 5.0 3.2 0.0
assign (resid 15 and name HN)(resid 15 and name HB#) 2.7 0.9 1.0
assign (resid 15 and name HN)(resid 14 and name HG2#) 5.0 3.2 1.0
assign (resid 15 and name HN)(resid 14 and name HA) 3.5 1.7 0.0
assign (resid 15 and name HN)(resid 15 and name HA) 5.0 3.2 0.0
assign (resid 15 and name HA)(resid 15 and name HB#) 2.7 0.9 1.0

assign (resid 15 and name HD#)(resid 15 and name HA) 3.5 1.7 2.4
assign (resid 15 and name HD#)(resid 14 and name HA) 5.0 3.2 2.4
assign (resid 15 and name HD#)(resid 15 and name HB#) 2.7 0.9 3.4

!c16
assign (resid 16 and name HN)(resid 15 and name HN) 5.0 3.2 0.0
assign (resid 16 and name HN)(resid 15 and name HD#) 5.0 3.2 2.4
assign (resid 16 and name HN)(resid 15 and name HB#) 3.5 1.7 1.0
assign (resid 16 and name HN)(resid 16 and name HA) 3.5 1.7 0.0
assign (resid 16 and name HN)(resid 16 and name HB#) 2.7 0.9 1.0
assign (resid 16 and name HN)(resid 15 and name HA) 3.5 1.7 0.0
assign (resid 16 and name HN)(resid 20 and name HB#) 5.0 3.2 1.0

assign (resid 16 and name HA)(resid 3 and name HA#) 3.5 1.7 1.0
assign (resid 16 and name HA)(resid 16 and name HB#) 2.7 0.9 1.0
assign (resid 16 and name HA)(resid 15 and name HB#) 5.0 3.2 1.0
assign (resid 16 and name HB#)(resid 20 and name HB#) 3.5 1.7 2.0
assign (resid 16 and name HB#)(resid 29 and name HB#) 3.5 1.7 2.0

!C17
assign (resid 17 and name HN)(resid 16 and name HN) 5.0 3.2 0.0
assign (resid 17 and name HN)(resid 3 and name HN) 3.5 1.7 0.0
assign (resid 17 and name HN)(resid 18 and name HN) 3.5 1.7 0.0
assign (resid 17 and name HN)(resid 20 and name HN) 5.0 3.2 0.0
assign (resid 17 and name HN)(resid 4 and name HN) 5.0 3.2 0.0
assign (resid 17 and name HN)(resid 20 and name HD#) 3.5 1.7 2.4
assign (resid 17 and name HN)(resid 16 and name HA) 3.5 1.7 0.0
assign (resid 17 and name HN)(resid 17 and name HA) 5.0 3.2 0.0
assign (resid 17 and name HN)(resid 3 and name HA#) 5.0 3.2 1.0
assign (resid 17 and name HN)(resid 4 and name HA#) 6.0 4.2 1.0
assign (resid 17 and name HN)(resid 16 and name HB#) 3.5 1.7 1.0
assign (resid 17 and name HN)(resid 2 and name HB#) 5.0 3.2 1.0
assign (resid 17 and name HN)(resid 20 and name HB#) 2.7 0.9 1.0
assign (resid 17 and name HN)(resid 17 and name HB#) 2.7 0.9 1.0

assign (resid 17 and name HA)(resid 17 and name HB#) 2.7 0.9 1.0
assign (resid 17 and name HB#)(resid 2 and name HB#) 3.5 1.7 2.0

!S18
assign (resid 18 and name HN)(resid 17 and name HA) 3.5 1.7 0.0
assign (resid 18 and name HN)(resid 17 and name HB#) 2.7 0.9 1.0
assign (resid 18 and name HN)(resid 18 and name HA) 3.5 1.7 0.0
assign (resid 18 and name HN)(resid 20 and name HD#) 5.0 3.2 2.4
assign (resid 18 and name HN)(resid 18 and name HB#) 2.7 0.9 1.0
assign (resid 18 and name HN)(resid 2 and name HB#) 6.0 4.2 1.0

assign (resid 18 and name HA)(resid 18 and name HB#) 2.7 0.9 1.0
assign (resid 18 and name HA)(resid 19 and name HA#) 5.0 3.2 1.0

!G19
assign (resid 19 and name HN)(resid 32 and name HB#) 5.0 3.2 1.0
assign (resid 19 and name HN)(resid 20 and name HN) 2.7 0.9 0.0
assign (resid 19 and name HN)(resid 20 and name HD#) 5.0 3.2 2.4
assign (resid 19 and name HN)(resid 18 and name HA) 3.5 1.7 0.0
assign (resid 19 and name HN)(resid 18 and name HB#) 3.5 1.7 1.0
assign (resid 19 and name HN)(resid 19 and name HA#) 2.7 0.9 1.0
assign (resid 19 and name HN)(resid 20 and name HB#) 5.0 3.2 1.0
assign (resid 19 and name HN)(resid 20 and name HA) 6.0 4.2 1.0

assign (resid 19 and name HA#)(resid 18 and name HB#) 3.5 1.7 2.0
assign (resid 19 and name HA#)(resid 32 and name HB#) 3.5 1.7 2.0
assign (resid 19 and name HA#)(resid 20 and name HB#) 5.0 3.5 2.0

!Y20
assign (resid 20 and name HN)(resid 20 and name HD#) 2.7 0.9 2.4
assign (resid 20 and name HN)(resid 21 and name HA) 6.0 4.2 0.0
assign (resid 20 and name HN)(resid 20 and name HA) 3.5 1.7 0.0
assign (resid 20 and name HN)(resid 18 and name HA) 5.0 3.2 0.0
assign (resid 20 and name HN)(resid 19 and name HA#) 3.5 1.7 1.0
assign (resid 20 and name HN)(resid 20 and name HB#) 2.7 0.9 1.0
assign (resid 20 and name HN)(resid 32 and name HB#) 5.0 3.2 1.0
assign (resid 20 and name HN)(resid 20 and name HE#) 5.0 3.2 2.4

assign (resid 20 and name HD#)(resid 20 and name HA) 3.5 1.7 2.4
assign (resid 20 and name HD#)(resid 16 and name HA) 5.0 3.2 2.4
assign (resid 20 and name HD#)(resid 31 and name HA) 3.5 1.7 2.4
assign (resid 20 and name HD#)(resid 17 and name HB#) 3.5 1.7 3.4
assign (resid 20 and name HD#)(resid 29 and name HB#) 3.5 1.7 3.4
assign (resid 20 and name HD#)(resid 20 and name HB#) 2.7 0.9 3.4
assign (resid 20 and name HD#)(resid 5 and name HG) 5.0 3.2 2.4
assign (resid 20 and name HD#)(resid 5 and name HD#) 5.0 3.2 4.8

assign (resid 20 and name HE#)(resid 20 and name HA) 5.0 3.2 2.4
assign (resid 20 and name HE#)(resid 31 and name HA) 5.0 3.2 2.4
assign (resid 20 and name HE#)(resid 29 and name HB#) 5.0 3.2 3.4
assign (resid 20 and name HE#)(resid 5 and name HA) 3.5 1.7 2.4
assign (resid 20 and name HE#)(resid 4 and name HA#) 3.5 1.7 3.4
assign (resid 20 and name HE#)(resid 5 and name HB#) 3.5 1.7 3.4
assign (resid 20 and name HE#)(resid 5 and name HG) 3.5 1.7 2.4
assign (resid 20 and name HE#)(resid 5 and name HD#) 3.5 1.7 4.8

assign (resid 20 and name HA)(resid 31 and name HA) 2.7 0.9 0.0
assign (resid 20 and name HA)(resid 20 and name HB#) 2.7 0.9 1.0
assign (resid 20 and name HA)(resid 29 and name HB#) 5.0 3.2 1.0
assign (resid 20 and name HA)(resid 32 and name HB#) 5.0 3.2 1.0
assign (resid 20 and name HA)(resid 5 and name HD#) 5.0 3.2 2.4

!N21
assign (resid 21 and name HN)(resid 32 and name HN) 5.0 3.2 0.0
assign (resid 21 and name HN)(resid 20 and name HN) 5.0 3.2 0.0
assign (resid 21 and name HN)(resid 30 and name HN) 3.5 1.7 0.0
assign (resid 21 and name HN)(resid 20 and name HD#) 5.0 3.2 2.4
assign (resid 21 and name HN)(resid 20 and name HA) 2.7 0.9 0.0
assign (resid 21 and name HN)(resid 21 and name HA) 3.5 1.7 0.0
assign (resid 21 and name HN)(resid 31 and name HA) 5.0 3.2 0.0
assign (resid 21 and name HN)(resid 32 and name HA) 5.0 3.2 0.0
assign (resid 21 and name HN)(resid 29 and name HB#) 5.0 3.2 1.0
assign (resid 21 and name HN)(resid 20 and name HB#) 3.5 1.7 1.0
assign (resid 21 and name HN)(resid 21 and name HB#) 3.5 1.7 1.0
assign (resid 21 and name HN)(resid 30 and name HG#) 5.0 3.2 2.4

assign (resid 21 and name HA)(resid 21 and name HB#) 2.7 0.9 1.0
assign (resid 21 and name HA)(resid 22 and name HB#) 5.0 3.2 1.0
assign (resid 21 and name HA)(resid 29 and name HB#) 5.0 3.2 1.0
assign (resid 21 and name HB#)(resid 30 and name HG#) 3.5 1.7 3.4

!C22
assign (resid 22 and name HN)(resid 21 and name HD2#) 3.5 1.7 1.0
assign (resid 22 and name HN)(resid 21 and name HB#) 3.5 1.7 1.0
assign (resid 22 and name HN)(resid 22 and name HB#) 2.7 0.9 1.0
assign (resid 22 and name HN)(resid 21 and name HA) 2.7 0.9 0.0
assign (resid 22 and name HN)(resid 30 and name HG#) 5.0 3.2 2.4
assign (resid 22 and name HN)(resid 14 and name HG2#) 5.0 3.2 1.0

assign (resid 22 and name HB#)(resid 14 and name HG2#) 3.5 1.7 2.0
assign (resid 22 and name HB#)(resid 9 and name HB#) 3.5 1.7 2.0
assign (resid 22 and name HA)(resid 22 and name HB#) 3.5 1.7 1.0

!S23
assign (resid 23 and name HN)(resid 30 and name HG#) 5.0 3.2 2.4
assign (resid 23 and name HN)(resid 28 and name HN) 3.5 1.7 0.0
assign (resid 23 and name HN)(resid 27 and name HN) 5.0 3.2 0.0
assign (resid 23 and name HN)(resid 28 and name HD1) 5.0 3.2 0.0
assign (resid 23 and name HN)(resid 29 and name HA) 3.5 1.7 0.0
assign (resid 23 and name HN)(resid 23 and name HA) 3.5 1.7 0.0
assign (resid 23 and name HN)(resid 23 and name HB#) 2.7 0.9 1.0
assign (resid 23 and name HN)(resid 22 and name HB#) 5.0 3.2 1.0
assign (resid 23 and name HN)(resid 22 and name HA) 2.7 0.9 0.0
assign (resid 23 and name HN)(resid 26 and name HB#) 5.0 3.2 1.0

assign (resid 23 and name HA)(resid 23 and name HB#) 2.7 0.9 1.0
assign (resid 23 and name HA)(resid 24 and name HD#) 3.5 1.7 1.0
assign (resid 23 and name HA)(resid 26 and name HB#) 5.0 3.2 1.0
assign (resid 23 and name HB#)(resid 26 and name HB#) 3.5 1.7 2.0

!P24
assign (resid 24 and name HA)(resid 24 and name HB#) 2.7 0.9 1.0
assign (resid 24 and name HA)(resid 24 and name HG#) 3.5 1.7 1.0
assign (resid 24 and name HA)(resid 24 and name HD#) 3.5 1.7 1.0
assign (resid 24 and name HB#)(resid 24 and name HG#) 2.7 0.9 2.0
assign (resid 24 and name HB#)(resid 24 and name HD#) 3.5 1.7 2.0
assign (resid 24 and name HD#)(resid 24 and name HG#) 2.7 0.9 2.0

!T25
assign (resid 25 and name HN)(resid 24 and name HA) 3.5 1.7 0.0
assign (resid 25 and name HN)(resid 24 and name HD#) 3.5 1.7 1.0
assign (resid 25 and name HN)(resid 25 and name HA) 3.5 1.7 0.0
assign (resid 25 and name HN)(resid 25 and name HB) 3.5 1.7 0.0
assign (resid 25 and name HN)(resid 24 and name HB#) 3.5 1.7 1.0
assign (resid 25 and name HN)(resid 24 and name HG#) 3.5 1.7 1.0
assign (resid 25 and name HN)(resid 25 and name HG2#) 5.0 3.2 1.0

assign (resid 25 and name HA)(resid 25 and name HG2#) 3.5 1.7 1.0
assign (resid 25 and name HA)(resid 25 and name HB) 3.5 1.7 0.0

!W26
assign (resid 26 and name HN)(resid 26 and name HA) 3.5 1.7 0.0
assign (resid 26 and name HN)(resid 25 and name HA) 3.5 1.7 0.0
assign (resid 26 and name HN)(resid 25 and name HB) 5.0 3.2 0.0
assign (resid 26 and name HN)(resid 26 and name HB#) 2.7 0.9 1.0

assign (resid 26 and name HE1)(resid 26 and name HA) 6.0 4.2 0.0
assign (resid 26 and name HE1)(resid 25 and name HB) 5.0 3.2 0.0
assign (resid 26 and name HE1)(resid 25 and name HG2#) 3.5 1.7 1.0
assign (resid 26 and name HE1)(resid 26 and name HD1) 2.7 0.9 0.0
assign (resid 26 and name HE1)(resid 23 and name HB#) 5.0 3.2 1.0
assign (resid 26 and name HD1)(resid 23 and name HB#) 5.0 3.2 1.0
assign (resid 26 and name HD1)(resid 26 and name HA) 5.0 3.2 0.0
assign (resid 26 and name HD1)(resid 25 and name HB) 5.0 3.2 0.0
assign (resid 26 and name HD1)(resid 26 and name HB#) 3.5 1.7 1.0
assign (resid 26 and name HD1)(resid 25 and name HG2#) 5.0 3.2 1.0

assign (resid 26 and name HA)(resid 26 and name HB#) 2.7 0.9 1.0
assign (resid 26 and name HA)(resid 25 and name HG2#) 5.0 3.2 1.0

!K27
assign (resid 27 and name HN)(resid 26 and name HA) 3.5 1.7 0.0
assign (resid 27 and name HN)(resid 27 and name HA) 3.5 1.7 0.0
assign (resid 27 and name HN)(resid 27 and name HB#) 3.5 1.7 1.0
assign (resid 27 and name HN)(resid 26 and name HB#) 3.5 1.7 1.0
assign (resid 27 and name HN)(resid 26 and name HN) 2.7 0.9 0.0
assign (resid 27 and name HN)(resid 28 and name HN) 3.5 1.7 0.0
assign (resid 27 and name HN)(resid 27 and name HG#) 5.0 3.2 1.0
assign (resid 27 and name HN)(resid 27 and name HD#) 5.0 3.2 1.0

assign (resid 27 and name HA)(resid 27 and name HD#) 3.5 1.7 1.0
assign (resid 27 and name HA)(resid 27 and name HG#) 2.7 0.9 1.0
assign (resid 27 and name HA)(resid 27 and name HB#) 2.7 0.9 1.0
assign (resid 27 and name HB#)(resid 27 and name HD#) 2.7 0.9 2.0
assign (resid 27 and name HB#)(resid 27 and name HG#) 2.7 0.9 2.0

!W28
assign (resid 28 and name HN)(resid 26 and name HB#) 5.0 3.2 1.0
assign (resid 28 and name HN)(resid 28 and name HA) 3.5 1.7 0.0
assign (resid 28 and name HN)(resid 27 and name HA) 3.5 1.7 0.0
assign (resid 28 and name HN)(resid 28 and name HB#) 3.5 1.7 1.0
assign (resid 28 and name HN)(resid 27 and name HB#) 3.5 1.7 1.0
assign (resid 28 and name HN)(resid 27 and name HD#) 5.0 3.2 1.0
assign (resid 28 and name HN)(resid 27 and name HG#) 5.0 3.2 1.0
assign (resid 28 and name HN)(resid 23 and name HB#) 3.5 1.7 1.0

assign (resid 28 and name HE3)(resid 28 and name HB#) 2.7 0.9 1.0
assign (resid 28 and name HE3)(resid 26 and name HB#) 3.5 1.7 1.0
assign (resid 28 and name HE3)(resid 6 and name HB#) 5.0 3.2 1.0
assign (resid 28 and name HE3)(resid 23 and name HB#) 6.0 4.2 1.0
assign (resid 28 and name HE3)(resid 28 and name HA) 5.0 3.2 0.0

assign (resid 28 and name HE1)(resid 26 and name HB#) 5.0 3.2 1.0
assign (resid 28 and name HE1)(resid 26 and name HE3) 5.0 3.2 0.0
assign (resid 28 and name HE1)(resid 28 and name HD1) 2.7 0.9 0.0
assign (resid 28 and name HE1)(resid 28 and name HZ2) 5.0 3.2 0.0
assign (resid 28 and name HE1)(resid 6 and name HG#) 5.0 3.2 1.0
assign (resid 28 and name HE1)(resid 30 and name HG#) 3.5 1.7 2.4
assign (resid 28 and name HE1)(resid 23 and name HB#) 5.0 3.2 1.0
assign (resid 28 and name HE1)(resid 28 and name HB#) 5.0 3.2 1.0
assign (resid 28 and name HE1)(resid 6 and name HE#) 5.0 3.2 2.4

assign (resid 28 and name HD1)(resid 28 and name HB#) 3.5 1.7 1.0
assign (resid 28 and name HD1)(resid 29 and name HA) 5.0 3.2 0.0
assign (resid 28 and name HD1)(resid 30 and name HA) 5.0 1.7 0.0
assign (resid 28 and name HD1)(resid 23 and name HB#) 3.5 1.7 1.0
assign (resid 28 and name HD1)(resid 6 and name HB#) 6.0 4.2 1.0
assign (resid 28 and name HD1)(resid 30 and name HG#) 3.5 1.7 2.4

assign (resid 28 and name HA)(resid 8 and name HA#) 2.7 0.9 1.0
assign (resid 28 and name HA)(resid 29 and name HB#) 5.0 3.2 1.0
assign (resid 28 and name HA)(resid 28 and name HB#) 2.7 0.9 1.0
assign (resid 28 and name HA)(resid 27 and name HB#) 5.0 3.2 1.0

!C29
assign (resid 29 and name HN)(resid 9 and name HN) 6.0 4.2 0.0
assign (resid 29 and name HN)(resid 28 and name HD1) 5.0 3.2 0.0
assign (resid 29 and name HN)(resid 28 and name HB#) 2.7 0.9 1.0
assign (resid 29 and name HN)(resid 28 and name HN) 5.0 3.2 0.0
assign (resid 29 and name HN)(resid 28 and name HA) 2.7 0.9 0.0
assign (resid 29 and name HN)(resid 29 and name HA) 3.5 1.7 0.0
assign (resid 29 and name HN)(resid 8 and name HA#) 5.0 3.2 1.0
assign (resid 29 and name HN)(resid 29 and name HB#) 3.5 1.7 1.0
assign (resid 29 and name HN)(resid 22 and name HB#) 5.0 3.2 1.0
assign (resid 29 and name HN)(resid 7 and name HN) 3.5 1.7 0.0
assign (resid 29 and name HN)(resid 7 and name HB#) 5.0 3.2 1.0
assign (resid 29 and name HN)(resid 7 and name HA) 5.0 3.2 0.0
assign (resid 29 and name HN)(resid 8 and name HN) 5.0 3.2 0.0

assign (resid 29 and name HA)(resid 22 and name HB#) 3.5 1.7 1.0
assign (resid 29 and name HA)(resid 29 and name HB#) 3.5 1.7 1.0
assign (resid 29 and name HA)(resid 30 and name HG#) 5.0 3.2 2.4
assign (resid 29 and name HA)(resid 28 and name HA) 5.0 3.2 0.0

!V30
assign (resid 30 and name HN)(resid 23 and name HN) 5.0 3.2 0.0
assign (resid 30 and name HN)(resid 29 and name HN) 5.0 3.2 0.0
assign (resid 30 and name HN)(resid 31 and name HN) 5.0 3.2 0.0
assign (resid 30 and name HN)(resid 21 and name HA) 5.0 3.2 0.0
assign (resid 30 and name HN)(resid 20 and name HB#) 3.5 1.7 1.0
assign (resid 30 and name HN)(resid 20 and name HD#) 5.0 3.2 2.4
assign (resid 30 and name HN)(resid 28 and name HD1) 5.0 3.2 0.0
assign (resid 30 and name HN)(resid 29 and name HA) 2.7 0.9 0.0
assign (resid 30 and name HN)(resid 30 and name HA) 3.5 1.7 0.0
assign (resid 30 and name HN)(resid 29 and name HB#) 3.5 1.7 1.0
assign (resid 30 and name HN)(resid 30 and name HB) 5.0 3.2 0.0
assign (resid 30 and name HN)(resid 30 and name HG#) 3.5 1.7 2.4
assign (resid 30 and name HN)(resid 5 and name HD#) 5.0 3.2 2.4

assign (resid 30 and name HA)(resid 30 and name HB) 3.5 1.7 0.0
assign (resid 30 and name HA)(resid 30 and name HG#) 3.5 1.7 2.4
assign (resid 30 and name HA)(resid 5 and name HD#) 3.5 1.7 2.4
assign (resid 30 and name HB)(resid 30 and name HG#) 2.7 0.9 2.4
assign (resid 30 and name HB)(resid 5 and name HD#) 5.0 3.2 2.4


!Y31
assign (resid 31 and name HN)(resid 20 and name HD#) 5.0 3.2 2.4
assign (resid 31 and name HN)(resid 20 and name HE#) 5.0 3.2 2.4
assign (resid 31 and name HN)(resid 31 and name HD#) 5.0 3.2 2.4
assign (resid 31 and name HN)(resid 31 and name HA) 3.5 1.7 0.0
assign (resid 31 and name HN)(resid 31 and name HB#) 3.5 1.7 1.0
assign (resid 31 and name HN)(resid 30 and name HB) 2.7 0.9 0.0
assign (resid 31 and name HN)(resid 30 and name HG#) 5.0 3.2 2.4
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) 2.7 0.9 0.0
assign (resid 31 and name HN)(resid 5 and name HD#) 3.5 1.7 2.4

assign (resid 31 and name HD#)(resid 31 and name HE#) 2.7 0.9 4.8
assign (resid 31 and name HD#)(resid 20 and name HA) 3.5 1.7 2.4
assign (resid 31 and name HD#)(resid 31 and name HA) 3.5 1.7 2.4
assign (resid 31 and name HD#)(resid 31 and name HB#) 2.7 0.9 3.4

assign (resid 31 and name HE#)(resid 5 and name HD#) 5.0 3.2 4.8
assign (resid 31 and name HE#)(resid 31 and name HA) 5.0 3.2 2.4
assign (resid 31 and name HE#)(resid 31 and name HB#) 5.0 3.2 3.4

assign (resid 31 and name HA)(resid 31 and name HB#) 3.5 1.7 1.0
assign (resid 31 and name HB#)(resid 30 and name HG#) 5.0 3.2 3.4

!A32
assign (resid 32 and name HN)(resid 31 and name HA) 3.5 1.7 0.0
assign (resid 32 and name HN)(resid 31 and name HD#) 3.5 1.7 2.4
assign (resid 32 and name HN)(resid 20 and name HD#) 5.0 3.2 2.4
assign (resid 32 and name HN)(resid 20 and name HA) 3.5 1.7 0.0
assign (resid 32 and name HN)(resid 32 and name HA) 3.5 1.7 0.0
assign (resid 32 and name HN)(resid 19 and name HA#) 5.0 3.2 1.0
assign (resid 32 and name HN)(resid 31 and name HB#) 3.5 1.7 1.0
assign (resid 32 and name HN)(resid 32 and name HB#) 2.7 0.9 1.0

assign (resid 32 and name HA)(resid 32 and name HB#) 2.7 0.9 1.0

!R33
assign (resid 33 and name HN)(resid 32 and name HA) 2.7 0.9 0.0
assign (resid 33 and name HN)(resid 33 and name HA) 3.5 1.7 0.0
assign (resid 33 and name HN)(resid 33 and name HB#) 3.5 1.7 1.0
assign (resid 33 and name HN)(resid 33 and name HG#) 5.0 3.2 1.0

assign (resid 33 and name HA)(resid 34 and name HD#) 3.5 1.7 1.0
assign (resid 33 and name HA)(resid 33 and name HB#) 3.5 1.7 1.0
assign (resid 33 and name HB#)(resid 32 and name HB#) 5.0 3.2 2.0

!P34
assign (resid 34 and name HA)(resid 34 and name HB#) 3.5 1.7 1.0
assign (resid 34 and name HA)(resid 34 and name HG#) 3.5 1.7 1.0
assign (resid 34 and name HD#)(resid 33 and name HB#) 5.0 3.2 2.0
assign (resid 34 and name HD#)(resid 34 and name HB#) 3.5 1.7 2.0
assign (resid 34 and name HD#)(resid 34 and name HG#) 2.7 0.9 2.0

!S-Sbond
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
 

!HBOND
assign (resid 30 and name hn)(resid 21 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 21 and name hn)(resid 30 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 9 and name hn)(resid 27 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 10 and name hn)(resid 27 and name o) 1.8 0.3 0.5
assign (resid 10 and name n)(resid 27 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 7 and name n)(resid 29 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 29 and name n)(resid 7 and name o) 2.8 0.4 0.5

assign (resid 14 and name hn)(resid 11 and name o) 1.8 0.3 0.5
assign (resid 14 and name n)(resid 11 and name o) 2.8 0.4 0.5

assign (resid 32 and name hn)(resid 19 and name o) 1.8 0.3 0.5
assign (resid 32 and name n)(resid 19 and name o) 2.8 0.4 0.5

assign (resid 27 and name hn)(resid 23 and name o) 1.8 0.3 0.5
assign (resid 27 and name n)(resid 23 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
assign (resid 23 and name n)(resid 28 and name o) 2.8 0.4 0.5

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


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  -4.916   9.796  -0.280
    2   2H    GLY   1          2HT       GLY   1  -6.409  10.517   0.092
    3   3H    GLY   1          3HT       GLY   1  -5.853   9.192   0.998
    4   1HA   GLY   1          2HA       GLY   1  -4.579  11.874   0.897
    5   2HA   GLY   1          1HA       GLY   1  -5.564  11.257   2.225
    6    H    CYS   2           H        CYS   2  -4.469  10.265   3.847
    7    HA   CYS   2           HA       CYS   2  -1.711   9.225   3.269
    8   1HB   CYS   2          2HB       CYS   2  -1.462  11.119   4.641
    9   2HB   CYS   2          1HB       CYS   2  -2.951  10.792   5.526
   10    H    GLY   3           H        GLY   3  -1.879   6.997   3.234
   11   1HA   GLY   3          2HA       GLY   3  -3.292   5.699   5.527
   12   2HA   GLY   3          1HA       GLY   3  -3.569   5.125   3.882
   13    H    GLY   4           H        GLY   4  -2.092   4.053   6.451
   14   1HA   GLY   4          2HA       GLY   4   0.089   2.795   4.894
   15   2HA   GLY   4          1HA       GLY   4   0.566   3.688   6.337
   16    H    LEU   5           H        LEU   5   0.965   0.886   5.986
   17    HA   LEU   5           HA       LEU   5   0.708  -1.138   7.153
   18   1HB   LEU   5          2HB       LEU   5   0.391   1.089   8.936
   19   2HB   LEU   5          1HB       LEU   5  -0.693  -0.198   9.458
   20    HG   LEU   5           HG       LEU   5   1.492  -0.474  10.526
   21   1HD1  LEU   5          1HD1      LEU   5   1.130  -2.686  10.349
   22   2HD1  LEU   5          2HD1      LEU   5   1.952  -2.690   8.789
   23   3HD1  LEU   5          3HD1      LEU   5   0.210  -2.427   8.868
   24   1HD2  LEU   5          1HD2      LEU   5   3.520  -0.800   9.226
   25   2HD2  LEU   5          2HD2      LEU   5   2.774   0.717   8.723
   26   3HD2  LEU   5          3HD2      LEU   5   2.611  -0.722   7.717
   27    H    MET   6           H        MET   6  -0.875  -1.885   5.555
   28    HA   MET   6           HA       MET   6  -2.923  -2.847   4.924
   29   1HB   MET   6          2HB       MET   6  -2.788  -2.884   7.905
   30   2HB   MET   6          1HB       MET   6  -4.352  -3.253   7.179
   31   1HG   MET   6          2HG       MET   6  -2.994  -4.848   5.629
   32   2HG   MET   6          1HG       MET   6  -1.738  -4.712   6.860
   33   1HE   MET   6          1HE       MET   6  -4.662  -6.269   5.558
   34   2HE   MET   6          2HE       MET   6  -5.739  -5.334   6.592
   35   3HE   MET   6          3HE       MET   6  -5.558  -7.067   6.857
   36    H    ALA   7           H        ALA   7  -2.720   0.084   4.920
   37    HA   ALA   7           HA       ALA   7  -5.290   1.126   5.917
   38   1HB   ALA   7          1HB       ALA   7  -2.777   2.105   4.715
   39   2HB   ALA   7          2HB       ALA   7  -3.795   2.848   5.949
   40   3HB   ALA   7          3HB       ALA   7  -4.208   3.020   4.243
   41    H    GLY   8           H        GLY   8  -7.085   1.653   4.595
   42   1HA   GLY   8          2HA       GLY   8  -7.539   0.064   2.267
   43   2HA   GLY   8          1HA       GLY   8  -8.540   1.425   2.766
   44    H    CYS   9           H        CYS   9  -6.720   0.342   0.267
   45    HA   CYS   9           HA       CYS   9  -5.804   3.071  -0.558
   46   1HB   CYS   9          2HB       CYS   9  -3.948   1.655  -0.603
   47   2HB   CYS   9          1HB       CYS   9  -4.912   0.246  -1.047
   48    H    ASP  10           H        ASP  10  -6.993   0.077  -2.119
   49    HA   ASP  10           HA       ASP  10  -8.509  -0.256  -3.890
   50   1HB   ASP  10          2HB       ASP  10  -9.739   1.238  -2.068
   51   2HB   ASP  10          1HB       ASP  10  -9.658   2.460  -3.336
   52    H    GLY  11           H        GLY  11  -6.555   0.073  -5.317
   53   1HA   GLY  11          2HA       GLY  11  -6.869   1.300  -7.666
   54   2HA   GLY  11          1HA       GLY  11  -6.410   2.694  -6.683
   55    H    LYS  12           H        LYS  12  -5.137   0.477  -8.742
   56    HA   LYS  12           HA       LYS  12  -2.724  -0.378  -7.428
   57   1HB   LYS  12          2HB       LYS  12  -2.084  -1.063  -9.629
   58   2HB   LYS  12          1HB       LYS  12  -3.837  -1.222  -9.575
   59   1HG   LYS  12          2HG       LYS  12  -3.395   1.426 -10.385
   60   2HG   LYS  12          1HG       LYS  12  -2.200   0.482 -11.273
   61   1HD   LYS  12          2HD       LYS  12  -3.983  -1.044 -12.048
   62   2HD   LYS  12          1HD       LYS  12  -5.179  -0.089 -11.171
   63   1HE   LYS  12          2HE       LYS  12  -3.380   1.057 -13.339
   64   2HE   LYS  12          1HE       LYS  12  -5.044   0.506 -13.618
   65   1HZ   LYS  12          1HZ       LYS  12  -5.663   1.977 -11.675
   66   2HZ   LYS  12          2HZ       LYS  12  -5.217   2.784 -13.101
   67   3HZ   LYS  12          3HZ       LYS  12  -4.120   2.669 -11.811
   68    H    SER  13           H        SER  13  -3.691   2.738  -8.546
   69    HA   SER  13           HA       SER  13  -0.844   3.670  -8.683
   70   1HB   SER  13          2HB       SER  13  -1.699   5.425 -10.089
   71   2HB   SER  13          1HB       SER  13  -2.445   3.930 -10.642
   72    HG   SER  13           HG       SER  13  -3.558   6.148  -9.455
   73    H    THR  14           H        THR  14  -3.300   3.489  -6.451
   74    HA   THR  14           HA       THR  14  -3.462   6.161  -5.397
   75    HB   THR  14           HB       THR  14  -3.974   3.359  -4.414
   76    HG1  THR  14           1HG      THR  14  -5.985   3.918  -4.795
   77   1HG2  THR  14          1HG2      THR  14  -4.053   5.906  -2.790
   78   2HG2  THR  14          2HG2      THR  14  -3.250   4.387  -2.391
   79   3HG2  THR  14          3HG2      THR  14  -5.010   4.487  -2.364
   80    H    PHE  15           H        PHE  15  -2.114   7.223  -3.951
   81    HA   PHE  15           HA       PHE  15   0.465   5.892  -3.266
   82   1HB   PHE  15          2HB       PHE  15   0.543   8.015  -4.473
   83   2HB   PHE  15          1HB       PHE  15  -0.488   8.776  -3.262
   84    HD1  PHE  15           1HD      PHE  15   0.695  10.252  -1.908
   85    HD2  PHE  15           2HD      PHE  15   2.567   6.580  -3.122
   86    HE1  PHE  15           1HE      PHE  15   2.693  10.822  -0.556
   87    HE2  PHE  15           2HE      PHE  15   4.564   7.151  -1.768
   88    HZ   PHE  15           HZ       PHE  15   4.627   9.272  -0.486
   89    H    CYS  16           H        CYS  16   1.050   5.535  -1.143
   90    HA   CYS  16           HA       CYS  16  -1.010   5.718   0.947
   91   1HB   CYS  16          2HB       CYS  16   1.916   4.911   1.102
   92   2HB   CYS  16          1HB       CYS  16   0.633   4.449   2.215
   93    H    CYS  17           H        CYS  17   0.748   6.281   3.173
   94    HA   CYS  17           HA       CYS  17   0.721   9.205   3.084
   95   1HB   CYS  17          2HB       CYS  17   0.276   7.412   5.007
   96   2HB   CYS  17          1HB       CYS  17   2.005   7.622   5.278
   97    H    SER  18           H        SER  18   3.366   7.050   4.142
   98    HA   SER  18           HA       SER  18   5.299   8.211   2.273
   99   1HB   SER  18          2HB       SER  18   6.648   9.232   4.149
  100   2HB   SER  18          1HB       SER  18   5.109  10.038   3.860
  101    HG   SER  18           HG       SER  18   5.994   8.914   6.093
  102    H    GLY  19           H        GLY  19   6.645   6.507   1.844
  103   1HA   GLY  19          2HA       GLY  19   8.191   4.765   2.349
  104   2HA   GLY  19          1HA       GLY  19   7.709   4.860   4.042
  105    H    TYR  20           H        TYR  20   4.834   4.770   2.459
  106    HA   TYR  20           HA       TYR  20   4.611   1.810   2.786
  107   1HB   TYR  20          2HB       TYR  20   2.647   4.122   2.745
  108   2HB   TYR  20          1HB       TYR  20   2.141   2.435   2.822
  109    HD1  TYR  20           1HD      TYR  20   2.722   5.232   4.780
  110    HD2  TYR  20           2HD      TYR  20   3.632   1.036   4.659
  111    HE1  TYR  20           1HE      TYR  20   3.086   5.239   7.232
  112    HE2  TYR  20           2HE      TYR  20   3.997   1.043   7.109
  113    HH   TYR  20           HH       TYR  20   4.706   3.247   8.856
  114    H    ASN  21           H        ASN  21   3.014   0.789   1.182
  115    HA   ASN  21           HA       ASN  21   2.945   2.088  -1.490
  116   1HB   ASN  21          2HB       ASN  21   5.078   0.624  -0.953
  117   2HB   ASN  21          1HB       ASN  21   3.978  -0.727  -1.228
  118   1HD2  ASN  21          1HD2      ASN  21   5.131   2.303  -2.808
  119   2HD2  ASN  21          2HD2      ASN  21   4.938   1.723  -4.391
  120    H    CYS  22           H        CYS  22   0.976   1.670  -2.415
  121    HA   CYS  22           HA       CYS  22  -0.963  -0.035  -1.099
  122   1HB   CYS  22          2HB       CYS  22  -1.661   1.970  -2.228
  123   2HB   CYS  22          1HB       CYS  22  -0.867   1.474  -3.723
  124    H    SER  23           H        SER  23  -1.427  -2.161  -1.520
  125    HA   SER  23           HA       SER  23   0.112  -3.558  -3.648
  126   1HB   SER  23          2HB       SER  23  -1.684  -4.637  -1.449
  127   2HB   SER  23          1HB       SER  23  -0.510  -5.552  -2.390
  128    HG   SER  23           HG       SER  23   1.020  -4.827  -1.140
  129    HA   PRO  24           HA       PRO  24  -3.590  -3.460  -6.139
  130   1HB   PRO  24          2HB       PRO  24  -2.681  -5.084  -8.149
  131   2HB   PRO  24          1HB       PRO  24  -2.202  -3.383  -7.985
  132   1HG   PRO  24          2HG       PRO  24  -0.724  -5.847  -7.205
  133   2HG   PRO  24          1HG       PRO  24  -0.119  -4.351  -7.932
  134   1HD   PRO  24          2HD       PRO  24   0.134  -4.936  -5.286
  135   2HD   PRO  24          1HD       PRO  24   0.032  -3.276  -5.915
  136    H    THR  25           H        THR  25  -2.063  -6.343  -4.862
  137    HA   THR  25           HA       THR  25  -4.281  -8.133  -5.627
  138    HB   THR  25           HB       THR  25  -1.852  -8.524  -3.845
  139    HG1  THR  25           1HG      THR  25  -0.892  -8.342  -5.702
  140   1HG2  THR  25          1HG2      THR  25  -3.961 -10.345  -4.948
  141   2HG2  THR  25          2HG2      THR  25  -3.203 -10.346  -3.354
  142   3HG2  THR  25          3HG2      THR  25  -2.319 -10.958  -4.752
  143    H    TRP  26           H        TRP  26  -3.221  -6.292  -2.806
  144    HA   TRP  26           HA       TRP  26  -5.393  -7.535  -1.158
  145   1HB   TRP  26          2HB       TRP  26  -3.022  -5.833  -0.340
  146   2HB   TRP  26          1HB       TRP  26  -4.078  -6.749   0.730
  147    HD1  TRP  26           HD       TRP  26  -4.223  -9.444  -0.939
  148    HE1  TRP  26           1HE      TRP  26  -2.153 -10.974  -1.059
  149    HE3  TRP  26           3HE      TRP  26  -0.571  -6.085   0.256
  150    HZ2  TRP  26           2HZ      TRP  26   0.678 -10.799  -0.690
  151    HZ3  TRP  26           3HZ      TRP  26   1.801  -6.791   0.367
  152    HH2  TRP  26           HH       TRP  26   2.431  -9.142  -0.104
  153    H    LYS  27           H        LYS  27  -4.593  -4.656  -2.856
  154    HA   LYS  27           HA       LYS  27  -5.680  -2.592  -3.054
  155   1HB   LYS  27          2HB       LYS  27  -7.612  -4.572  -2.138
  156   2HB   LYS  27          1HB       LYS  27  -8.052  -2.948  -1.616
  157   1HG   LYS  27          2HG       LYS  27  -9.007  -3.423  -3.830
  158   2HG   LYS  27          1HG       LYS  27  -7.801  -2.142  -3.946
  159   1HD   LYS  27          2HD       LYS  27  -6.335  -3.439  -5.135
  160   2HD   LYS  27          1HD       LYS  27  -6.793  -4.916  -4.287
  161   1HE   LYS  27          2HE       LYS  27  -7.644  -5.230  -6.489
  162   2HE   LYS  27          1HE       LYS  27  -9.058  -4.683  -5.567
  163   1HZ   LYS  27          1HZ       LYS  27  -8.650  -3.425  -7.674
  164   2HZ   LYS  27          2HZ       LYS  27  -7.214  -2.834  -6.985
  165   3HZ   LYS  27          3HZ       LYS  27  -8.715  -2.458  -6.283
  166    H    TRP  28           H        TRP  28  -3.914  -3.094  -0.623
  167    HA   TRP  28           HA       TRP  28  -4.998  -0.810   0.966
  168   1HB   TRP  28          2HB       TRP  28  -4.433  -1.961   3.056
  169   2HB   TRP  28          1HB       TRP  28  -5.565  -2.920   2.119
  170    HD1  TRP  28           HD       TRP  28  -1.699  -2.791   1.739
  171    HE1  TRP  28           1HE      TRP  28  -0.796  -5.176   2.064
  172    HE3  TRP  28           3HE      TRP  28  -6.032  -5.219   2.926
  173    HZ2  TRP  28           2HZ      TRP  28  -1.773  -7.774   2.747
  174    HZ3  TRP  28           3HZ      TRP  28  -6.014  -7.648   3.415
  175    HH2  TRP  28           HH       TRP  28  -3.892  -8.927   3.327
  176    H    CYS  29           H        CYS  29  -3.190   0.078   2.467
  177    HA   CYS  29           HA       CYS  29  -0.676   0.248   0.865
  178   1HB   CYS  29          2HB       CYS  29  -2.265   1.997   2.677
  179   2HB   CYS  29          1HB       CYS  29  -0.518   2.220   2.713
  180    H    VAL  30           H        VAL  30   1.092  -0.830   1.626
  181    HA   VAL  30           HA       VAL  30   1.378  -1.246   4.583
  182    HB   VAL  30           HB       VAL  30   2.451  -3.504   3.788
  183   1HG1  VAL  30          1HG1      VAL  30   0.423  -3.410   5.118
  184   2HG1  VAL  30          2HG1      VAL  30   0.198  -4.583   3.821
  185   3HG1  VAL  30          3HG1      VAL  30  -0.532  -2.981   3.698
  186   1HG2  VAL  30          1HG2      VAL  30   2.271  -2.762   1.335
  187   2HG2  VAL  30          2HG2      VAL  30   0.539  -3.064   1.482
  188   3HG2  VAL  30          3HG2      VAL  30   1.687  -4.384   1.706
  189    H    TYR  31           H        TYR  31   3.810  -2.149   4.898
  190    HA   TYR  31           HA       TYR  31   5.611  -0.063   4.272
  191   1HB   TYR  31          2HB       TYR  31   7.268  -1.539   5.192
  192   2HB   TYR  31          1HB       TYR  31   5.760  -1.931   6.013
  193    HD1  TYR  31           1HD      TYR  31   4.448  -3.959   5.316
  194    HD2  TYR  31           2HD      TYR  31   8.368  -3.124   3.769
  195    HE1  TYR  31           1HE      TYR  31   4.642  -6.305   4.542
  196    HE2  TYR  31           2HE      TYR  31   8.562  -5.471   2.996
  197    HH   TYR  31           HH       TYR  31   6.906  -7.897   4.053
  198    H    ALA  32           H        ALA  32   7.112   0.254   2.592
  199    HA   ALA  32           HA       ALA  32   6.576  -1.226   0.082
  200   1HB   ALA  32          1HB       ALA  32   7.078   1.398   0.751
  201   2HB   ALA  32          2HB       ALA  32   7.226   0.737  -0.877
  202   3HB   ALA  32          3HB       ALA  32   8.652   0.871   0.153
  203    H    ARG  33           H        ARG  33   8.079  -2.564  -0.933
  204    HA   ARG  33           HA       ARG  33  10.840  -2.768   0.146
  205   1HB   ARG  33          2HB       ARG  33   9.296  -4.250   1.476
  206   2HB   ARG  33          1HB       ARG  33   8.927  -5.121  -0.011
  207   1HG   ARG  33          2HG       ARG  33  10.662  -6.438   0.741
  208   2HG   ARG  33          1HG       ARG  33  11.602  -5.237  -0.146
  209   1HD   ARG  33          2HD       ARG  33  12.343  -4.182   1.794
  210   2HD   ARG  33          1HD       ARG  33  10.929  -4.698   2.735
  211    HE   ARG  33           HE       ARG  33  13.099  -6.579   1.871
  212   1HH1  ARG  33          1HH2      ARG  33  12.551  -5.219   4.686
  213   2HH1  ARG  33          2HH2      ARG  33  11.954  -6.600   5.544
  214   1HH2  ARG  33          1HH1      ARG  33  11.491  -8.512   2.681
  215   2HH2  ARG  33          2HH1      ARG  33  11.352  -8.468   4.406
  216    HA   PRO  34           HA       PRO  34  10.591  -3.285  -4.422
  217   1HB   PRO  34          2HB       PRO  34  12.803  -1.771  -4.971
  218   2HB   PRO  34          1HB       PRO  34  11.184  -1.078  -4.759
  219   1HG   PRO  34          2HG       PRO  34  13.467  -1.171  -2.858
  220   2HG   PRO  34          1HG       PRO  34  12.270   0.105  -3.127
  221   1HD   PRO  34          2HD       PRO  34  12.193  -1.658  -1.028
  222   2HD   PRO  34          1HD       PRO  34  10.766  -0.827  -1.688
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1  -4.006  11.310   1.263
    2   2H    GLY   1          2HT       GLY   1  -2.840  12.544   1.348
    3   3H    GLY   1          3HT       GLY   1  -4.491  12.919   1.486
    4   1HA   GLY   1          2HA       GLY   1  -3.540  13.001   3.659
    5   2HA   GLY   1          1HA       GLY   1  -4.591  11.588   3.548
    6    H    CYS   2           H        CYS   2  -3.555  10.149   4.909
    7    HA   CYS   2           HA       CYS   2  -0.802   9.299   4.104
    8   1HB   CYS   2          2HB       CYS   2  -1.747  10.541   6.604
    9   2HB   CYS   2          1HB       CYS   2  -0.818   9.063   6.855
   10    H    GLY   3           H        GLY   3  -1.475   7.297   3.277
   11   1HA   GLY   3          2HA       GLY   3  -3.015   5.521   5.131
   12   2HA   GLY   3          1HA       GLY   3  -3.033   5.362   3.374
   13    H    GLY   4           H        GLY   4  -2.020   3.663   5.826
   14   1HA   GLY   4          2HA       GLY   4   0.116   2.362   4.364
   15   2HA   GLY   4          1HA       GLY   4   0.744   3.278   5.734
   16    H    LEU   5           H        LEU   5   0.815   0.399   5.441
   17    HA   LEU   5           HA       LEU   5   0.448  -1.528   6.738
   18   1HB   LEU   5          2HB       LEU   5   0.519   0.787   8.416
   19   2HB   LEU   5          1HB       LEU   5  -0.702  -0.306   9.067
   20    HG   LEU   5           HG       LEU   5   1.499  -0.816  10.028
   21   1HD1  LEU   5          1HD1      LEU   5  -0.127  -2.673   8.506
   22   2HD1  LEU   5          2HD1      LEU   5   0.679  -2.913  10.055
   23   3HD1  LEU   5          3HD1      LEU   5   1.552  -3.212   8.552
   24   1HD2  LEU   5          1HD2      LEU   5   2.313  -0.472   7.249
   25   2HD2  LEU   5          2HD2      LEU   5   2.913  -1.992   7.912
   26   3HD2  LEU   5          3HD2      LEU   5   3.302  -0.467   8.709
   27    H    MET   6           H        MET   6  -1.266  -2.370   5.441
   28    HA   MET   6           HA       MET   6  -3.436  -3.153   4.995
   29   1HB   MET   6          2HB       MET   6  -3.397  -2.593   7.961
   30   2HB   MET   6          1HB       MET   6  -4.848  -3.226   7.184
   31   1HG   MET   6          2HG       MET   6  -3.892  -5.265   6.739
   32   2HG   MET   6          1HG       MET   6  -2.282  -4.580   6.522
   33   1HE   MET   6          1HE       MET   6  -2.730  -7.212   7.859
   34   2HE   MET   6          2HE       MET   6  -1.814  -7.164   9.363
   35   3HE   MET   6          3HE       MET   6  -1.111  -6.498   7.891
   36    H    ALA   7           H        ALA   7  -2.884  -0.321   4.504
   37    HA   ALA   7           HA       ALA   7  -5.308   1.153   5.333
   38   1HB   ALA   7          1HB       ALA   7  -3.747   2.440   3.284
   39   2HB   ALA   7          2HB       ALA   7  -2.653   1.713   4.460
   40   3HB   ALA   7          3HB       ALA   7  -3.876   2.868   4.989
   41    H    GLY   8           H        GLY   8  -7.033   0.023   4.283
   42   1HA   GLY   8          2HA       GLY   8  -7.068  -0.886   1.603
   43   2HA   GLY   8          1HA       GLY   8  -8.507  -0.433   2.515
   44    H    CYS   9           H        CYS   9  -6.463   0.436  -0.062
   45    HA   CYS   9           HA       CYS   9  -7.659   3.181  -0.191
   46   1HB   CYS   9          2HB       CYS   9  -5.662   3.742  -1.509
   47   2HB   CYS   9          1HB       CYS   9  -5.191   3.020   0.027
   48    H    ASP  10           H        ASP  10  -6.943   0.251  -2.075
   49    HA   ASP  10           HA       ASP  10  -7.926  -0.599  -4.036
   50   1HB   ASP  10          2HB       ASP  10  -9.912   0.410  -2.533
   51   2HB   ASP  10          1HB       ASP  10 -10.056   1.492  -3.918
   52    H    GLY  11           H        GLY  11  -6.325   0.063  -5.531
   53   1HA   GLY  11          2HA       GLY  11  -6.876   1.543  -7.739
   54   2HA   GLY  11          1HA       GLY  11  -6.350   2.794  -6.611
   55    H    LYS  12           H        LYS  12  -5.252   0.751  -8.980
   56    HA   LYS  12           HA       LYS  12  -2.737  -0.190  -7.983
   57   1HB   LYS  12          2HB       LYS  12  -2.251  -0.543 -10.322
   58   2HB   LYS  12          1HB       LYS  12  -3.975  -0.834 -10.101
   59   1HG   LYS  12          2HG       LYS  12  -4.055   1.808 -10.647
   60   2HG   LYS  12          1HG       LYS  12  -2.595   1.379 -11.538
   61   1HD   LYS  12          2HD       LYS  12  -3.731  -0.055 -12.978
   62   2HD   LYS  12          1HD       LYS  12  -5.038  -0.338 -11.829
   63   1HE   LYS  12          2HE       LYS  12  -4.647   2.446 -12.892
   64   2HE   LYS  12          1HE       LYS  12  -5.456   1.240 -13.912
   65   1HZ   LYS  12          1HZ       LYS  12  -6.944   0.727 -12.079
   66   2HZ   LYS  12          2HZ       LYS  12  -7.042   2.379 -12.463
   67   3HZ   LYS  12          3HZ       LYS  12  -6.173   1.873 -11.093
   68    H    SER  13           H        SER  13  -3.797   3.012  -8.798
   69    HA   SER  13           HA       SER  13  -0.956   3.986  -8.762
   70   1HB   SER  13          2HB       SER  13  -2.513   4.171 -10.858
   71   2HB   SER  13          1HB       SER  13  -3.309   5.454  -9.951
   72    HG   SER  13           HG       SER  13  -1.592   6.685 -10.179
   73    H    THR  14           H        THR  14  -2.904   3.524  -6.459
   74    HA   THR  14           HA       THR  14  -3.666   6.227  -5.579
   75    HB   THR  14           HB       THR  14  -3.763   3.441  -4.374
   76    HG1  THR  14           1HG      THR  14  -6.005   3.830  -4.656
   77   1HG2  THR  14          1HG2      THR  14  -3.824   4.475  -2.360
   78   2HG2  THR  14          2HG2      THR  14  -5.428   5.026  -2.846
   79   3HG2  THR  14          3HG2      THR  14  -4.026   6.068  -3.087
   80    H    PHE  15           H        PHE  15  -2.411   7.538  -4.296
   81    HA   PHE  15           HA       PHE  15   0.312   6.652  -3.585
   82   1HB   PHE  15          2HB       PHE  15  -0.616   8.943  -4.542
   83   2HB   PHE  15          1HB       PHE  15  -0.894   9.299  -2.836
   84    HD1  PHE  15           1HD      PHE  15   1.803   7.670  -4.896
   85    HD2  PHE  15           2HD      PHE  15   0.820  10.470  -1.789
   86    HE1  PHE  15           1HE      PHE  15   4.208   8.199  -4.612
   87    HE2  PHE  15           2HE      PHE  15   3.226  11.000  -1.506
   88    HZ   PHE  15           HZ       PHE  15   4.920   9.864  -2.918
   89    H    CYS  16           H        CYS  16   1.144   6.952  -1.367
   90    HA   CYS  16           HA       CYS  16  -0.970   6.623   0.740
   91   1HB   CYS  16          2HB       CYS  16   1.562   5.134   0.086
   92   2HB   CYS  16          1HB       CYS  16   0.973   5.151   1.748
   93    H    CYS  17           H        CYS  17   0.711   6.650   2.965
   94    HA   CYS  17           HA       CYS  17   1.292   9.480   3.241
   95   1HB   CYS  17          2HB       CYS  17   0.393   7.882   4.983
   96   2HB   CYS  17          1HB       CYS  17   1.997   7.167   5.074
   97    H    SER  18           H        SER  18   3.631   7.084   4.399
   98    HA   SER  18           HA       SER  18   5.686   7.995   2.465
   99   1HB   SER  18          2HB       SER  18   5.530   8.661   5.391
  100   2HB   SER  18          1HB       SER  18   7.113   8.447   4.650
  101    HG   SER  18           HG       SER  18   6.814  10.204   3.479
  102    H    GLY  19           H        GLY  19   6.753   6.155   1.878
  103   1HA   GLY  19          2HA       GLY  19   7.944   4.131   2.120
  104   2HA   GLY  19          1HA       GLY  19   7.732   4.257   3.866
  105    H    TYR  20           H        TYR  20   4.939   4.487   1.777
  106    HA   TYR  20           HA       TYR  20   4.161   1.678   2.486
  107   1HB   TYR  20          2HB       TYR  20   2.642   4.290   2.724
  108   2HB   TYR  20          1HB       TYR  20   1.834   2.726   2.762
  109    HD1  TYR  20           1HD      TYR  20   3.196   0.950   4.361
  110    HD2  TYR  20           2HD      TYR  20   3.077   5.217   4.806
  111    HE1  TYR  20           1HE      TYR  20   3.756   0.713   6.763
  112    HE2  TYR  20           2HE      TYR  20   3.637   4.983   7.209
  113    HH   TYR  20           HH       TYR  20   4.985   2.517   8.551
  114    H    ASN  21           H        ASN  21   3.147   0.566   0.796
  115    HA   ASN  21           HA       ASN  21   2.486   2.125  -1.679
  116   1HB   ASN  21          2HB       ASN  21   4.716   0.623  -1.377
  117   2HB   ASN  21          1HB       ASN  21   3.594  -0.626  -1.923
  118   1HD2  ASN  21          1HD2      ASN  21   2.339  -0.063  -4.001
  119   2HD2  ASN  21          2HD2      ASN  21   3.138   0.871  -5.172
  120    H    CYS  22           H        CYS  22   0.454   1.689  -2.403
  121    HA   CYS  22           HA       CYS  22  -1.273  -0.236  -1.098
  122   1HB   CYS  22          2HB       CYS  22  -1.382   1.766  -3.304
  123   2HB   CYS  22          1HB       CYS  22  -2.616   0.507  -3.323
  124    H    SER  23           H        SER  23  -1.253  -2.410  -1.514
  125    HA   SER  23           HA       SER  23   0.078  -3.485  -3.902
  126   1HB   SER  23          2HB       SER  23   0.049  -4.380  -1.470
  127   2HB   SER  23          1HB       SER  23  -1.556  -4.995  -1.854
  128    HG   SER  23           HG       SER  23  -0.649  -6.525  -2.966
  129    HA   PRO  24           HA       PRO  24  -3.635  -3.696  -6.316
  130   1HB   PRO  24          2HB       PRO  24  -2.752  -5.440  -8.227
  131   2HB   PRO  24          1HB       PRO  24  -2.246  -3.741  -8.168
  132   1HG   PRO  24          2HG       PRO  24  -0.802  -6.178  -7.256
  133   2HG   PRO  24          1HG       PRO  24  -0.177  -4.732  -8.063
  134   1HD   PRO  24          2HD       PRO  24   0.063  -5.190  -5.385
  135   2HD   PRO  24          1HD       PRO  24   0.018  -3.566  -6.105
  136    H    THR  25           H        THR  25  -2.015  -6.596  -5.116
  137    HA   THR  25           HA       THR  25  -4.327  -8.346  -5.626
  138    HB   THR  25           HB       THR  25  -1.698  -8.715  -4.149
  139    HG1  THR  25           1HG      THR  25  -1.055  -8.625  -6.152
  140   1HG2  THR  25          1HG2      THR  25  -2.261 -11.185  -4.728
  141   2HG2  THR  25          2HG2      THR  25  -3.920 -10.609  -4.888
  142   3HG2  THR  25          3HG2      THR  25  -3.074 -10.444  -3.349
  143    H    TRP  26           H        TRP  26  -2.880  -6.608  -2.900
  144    HA   TRP  26           HA       TRP  26  -4.785  -7.829  -0.976
  145   1HB   TRP  26          2HB       TRP  26  -2.625  -5.729  -0.612
  146   2HB   TRP  26          1HB       TRP  26  -3.429  -6.632   0.662
  147    HD1  TRP  26           HD       TRP  26  -3.291  -9.401  -1.221
  148    HE1  TRP  26           1HE      TRP  26  -1.059 -10.685  -1.186
  149    HE3  TRP  26           3HE      TRP  26  -0.183  -5.729   0.496
  150    HZ2  TRP  26           2HZ      TRP  26   1.677 -10.224  -0.518
  151    HZ3  TRP  26           3HZ      TRP  26   2.231  -6.182   0.823
  152    HH2  TRP  26           HH       TRP  26   3.163  -8.422   0.318
  153    H    LYS  27           H        LYS  27  -4.343  -4.879  -2.807
  154    HA   LYS  27           HA       LYS  27  -5.808  -3.071  -3.142
  155   1HB   LYS  27          2HB       LYS  27  -7.417  -5.123  -2.533
  156   2HB   LYS  27          1HB       LYS  27  -7.727  -4.122  -1.114
  157   1HG   LYS  27          2HG       LYS  27  -9.335  -3.516  -2.814
  158   2HG   LYS  27          1HG       LYS  27  -8.179  -2.192  -2.668
  159   1HD   LYS  27          2HD       LYS  27  -7.660  -2.398  -4.847
  160   2HD   LYS  27          1HD       LYS  27  -7.140  -4.060  -4.566
  161   1HE   LYS  27          2HE       LYS  27  -9.810  -4.458  -4.574
  162   2HE   LYS  27          1HE       LYS  27  -9.724  -3.052  -5.653
  163   1HZ   LYS  27          1HZ       LYS  27  -9.389  -5.059  -6.926
  164   2HZ   LYS  27          2HZ       LYS  27  -8.136  -5.556  -5.891
  165   3HZ   LYS  27          3HZ       LYS  27  -7.936  -4.185  -6.875
  166    H    TRP  28           H        TRP  28  -4.190  -3.722  -0.297
  167    HA   TRP  28           HA       TRP  28  -5.051  -1.101   0.868
  168   1HB   TRP  28          2HB       TRP  28  -4.590  -2.060   3.075
  169   2HB   TRP  28          1HB       TRP  28  -5.740  -3.072   2.214
  170    HD1  TRP  28           HD       TRP  28  -1.850  -2.979   2.359
  171    HE1  TRP  28           1HE      TRP  28  -1.022  -5.390   2.725
  172    HE3  TRP  28           3HE      TRP  28  -6.322  -5.429   2.574
  173    HZ2  TRP  28           2HZ      TRP  28  -2.105  -8.006   3.075
  174    HZ3  TRP  28           3HZ      TRP  28  -6.395  -7.881   2.932
  175    HH2  TRP  28           HH       TRP  28  -4.293  -9.172   3.182
  176    H    CYS  29           H        CYS  29  -3.234  -0.090   2.205
  177    HA   CYS  29           HA       CYS  29  -0.729  -0.217   0.624
  178   1HB   CYS  29          2HB       CYS  29  -2.160   1.861   1.328
  179   2HB   CYS  29          1HB       CYS  29  -1.338   1.681   2.877
  180    H    VAL  30           H        VAL  30   1.264  -0.724   1.523
  181    HA   VAL  30           HA       VAL  30   1.494  -1.322   4.425
  182    HB   VAL  30           HB       VAL  30   2.619  -3.560   3.601
  183   1HG1  VAL  30          1HG1      VAL  30   0.590  -3.399   5.007
  184   2HG1  VAL  30          2HG1      VAL  30   0.477  -4.721   3.846
  185   3HG1  VAL  30          3HG1      VAL  30  -0.389  -3.215   3.552
  186   1HG2  VAL  30          1HG2      VAL  30   0.561  -3.342   1.418
  187   2HG2  VAL  30          2HG2      VAL  30   1.950  -4.422   1.534
  188   3HG2  VAL  30          3HG2      VAL  30   2.188  -2.718   1.144
  189    H    TYR  31           H        TYR  31   3.862  -1.811   4.949
  190    HA   TYR  31           HA       TYR  31   5.620   0.172   4.052
  191   1HB   TYR  31          2HB       TYR  31   7.407  -1.362   4.964
  192   2HB   TYR  31          1HB       TYR  31   6.039  -1.134   6.047
  193    HD1  TYR  31           1HD      TYR  31   4.577  -2.959   6.626
  194    HD2  TYR  31           2HD      TYR  31   7.633  -3.482   3.651
  195    HE1  TYR  31           1HE      TYR  31   4.211  -5.409   6.680
  196    HE2  TYR  31           2HE      TYR  31   7.261  -5.933   3.705
  197    HH   TYR  31           HH       TYR  31   4.770  -7.396   4.641
  198    H    ALA  32           H        ALA  32   6.898   0.448   2.248
  199    HA   ALA  32           HA       ALA  32   6.586  -1.425   0.006
  200   1HB   ALA  32          1HB       ALA  32   7.498   0.351  -1.257
  201   2HB   ALA  32          2HB       ALA  32   8.401   0.983   0.120
  202   3HB   ALA  32          3HB       ALA  32   6.650   1.179   0.050
  203    H    ARG  33           H        ARG  33   8.524  -2.207  -1.203
  204    HA   ARG  33           HA       ARG  33  10.850  -2.797   0.605
  205   1HB   ARG  33          2HB       ARG  33   8.943  -4.544  -0.307
  206   2HB   ARG  33          1HB       ARG  33  10.166  -4.692  -1.567
  207   1HG   ARG  33          2HG       ARG  33  11.594  -5.793  -0.200
  208   2HG   ARG  33          1HG       ARG  33  11.315  -4.668   1.130
  209   1HD   ARG  33          2HD       ARG  33   9.173  -6.659   0.393
  210   2HD   ARG  33          1HD       ARG  33  10.532  -7.153   1.423
  211    HE   ARG  33           HE       ARG  33   8.476  -5.146   2.125
  212   1HH1  ARG  33          1HH2      ARG  33   9.849  -7.555   3.665
  213   2HH1  ARG  33          2HH2      ARG  33  10.637  -6.662   4.922
  214   1HH2  ARG  33          1HH1      ARG  33  10.206  -3.581   3.369
  215   2HH2  ARG  33          2HH1      ARG  33  10.840  -4.406   4.754
  216    HA   PRO  34           HA       PRO  34  13.111  -0.893  -2.721
  217   1HB   PRO  34          2HB       PRO  34  15.627  -1.599  -1.901
  218   2HB   PRO  34          1HB       PRO  34  14.691  -0.295  -1.143
  219   1HG   PRO  34          2HG       PRO  34  15.110  -3.100  -0.234
  220   2HG   PRO  34          1HG       PRO  34  15.054  -1.604   0.710
  221   1HD   PRO  34          2HD       PRO  34  12.971  -3.347   0.555
  222   2HD   PRO  34          1HD       PRO  34  12.766  -1.601   0.822
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  -3.147  12.728   5.907
    2   2H    GLY   1          2HT       GLY   1  -4.312  11.523   6.190
    3   3H    GLY   1          3HT       GLY   1  -4.743  13.163   6.278
    4   1HA   GLY   1          2HA       GLY   1  -5.556  12.563   4.216
    5   2HA   GLY   1          1HA       GLY   1  -3.989  13.280   3.843
    6    H    CYS   2           H        CYS   2  -2.229  11.276   4.536
    7    HA   CYS   2           HA       CYS   2  -2.740   9.283   2.408
    8   1HB   CYS   2          2HB       CYS   2  -0.359   8.826   2.697
    9   2HB   CYS   2          1HB       CYS   2  -0.604  10.569   2.649
   10    H    GLY   3           H        GLY   3  -1.920   6.964   2.975
   11   1HA   GLY   3          2HA       GLY   3  -2.714   6.187   5.747
   12   2HA   GLY   3          1HA       GLY   3  -3.418   5.351   4.362
   13    H    GLY   4           H        GLY   4  -1.594   4.359   6.551
   14   1HA   GLY   4          2HA       GLY   4   0.356   3.026   4.748
   15   2HA   GLY   4          1HA       GLY   4   0.983   3.838   6.182
   16    H    LEU   5           H        LEU   5   0.988   0.950   5.489
   17    HA   LEU   5           HA       LEU   5   0.749  -1.093   6.628
   18   1HB   LEU   5          2HB       LEU   5   0.991   0.987   8.522
   19   2HB   LEU   5          1HB       LEU   5  -0.318  -0.034   9.113
   20    HG   LEU   5           HG       LEU   5   1.798  -0.861   9.994
   21   1HD1  LEU   5          1HD1      LEU   5   1.420  -3.095   9.540
   22   2HD1  LEU   5          2HD1      LEU   5   1.255  -2.823   7.805
   23   3HD1  LEU   5          3HD1      LEU   5  -0.071  -2.413   8.892
   24   1HD2  LEU   5          1HD2      LEU   5   2.650  -0.377   7.209
   25   2HD2  LEU   5          2HD2      LEU   5   3.246  -1.887   7.898
   26   3HD2  LEU   5          3HD2      LEU   5   3.599  -0.354   8.695
   27    H    MET   6           H        MET   6  -0.990  -1.923   5.418
   28    HA   MET   6           HA       MET   6  -3.163  -2.728   5.026
   29   1HB   MET   6          2HB       MET   6  -3.223  -2.091   7.991
   30   2HB   MET   6          1HB       MET   6  -4.542  -2.918   7.164
   31   1HG   MET   6          2HG       MET   6  -1.717  -3.927   6.896
   32   2HG   MET   6          1HG       MET   6  -2.689  -4.360   8.302
   33   1HE   MET   6          1HE       MET   6  -1.473  -6.470   6.378
   34   2HE   MET   6          2HE       MET   6  -2.820  -7.592   6.211
   35   3HE   MET   6          3HE       MET   6  -2.487  -6.854   7.776
   36    H    ALA   7           H        ALA   7  -2.635   0.049   4.436
   37    HA   ALA   7           HA       ALA   7  -5.018   1.577   5.312
   38   1HB   ALA   7          1HB       ALA   7  -3.448   3.183   5.033
   39   2HB   ALA   7          2HB       ALA   7  -3.597   2.938   3.293
   40   3HB   ALA   7          3HB       ALA   7  -2.374   2.055   4.207
   41    H    GLY   8           H        GLY   8  -6.794   2.000   3.966
   42   1HA   GLY   8          2HA       GLY   8  -7.346   0.210   1.799
   43   2HA   GLY   8          1HA       GLY   8  -8.294   1.642   2.196
   44    H    CYS   9           H        CYS   9  -6.406   0.273  -0.169
   45    HA   CYS   9           HA       CYS   9  -5.500   2.899  -1.279
   46   1HB   CYS   9          2HB       CYS   9  -3.685   1.406  -1.184
   47   2HB   CYS   9          1HB       CYS   9  -4.693   0.013  -1.567
   48    H    ASP  10           H        ASP  10  -6.550  -0.181  -2.739
   49    HA   ASP  10           HA       ASP  10  -7.974  -0.613  -4.573
   50   1HB   ASP  10          2HB       ASP  10  -9.400   0.169  -2.546
   51   2HB   ASP  10          1HB       ASP  10  -9.596   1.673  -3.445
   52    H    GLY  11           H        GLY  11  -6.173   0.442  -5.944
   53   1HA   GLY  11          2HA       GLY  11  -6.799   1.702  -8.153
   54   2HA   GLY  11          1HA       GLY  11  -6.986   3.075  -7.058
   55    H    LYS  12           H        LYS  12  -4.840   1.701  -9.126
   56    HA   LYS  12           HA       LYS  12  -2.333   1.740  -7.748
   57   1HB   LYS  12          2HB       LYS  12  -3.260   2.094 -10.594
   58   2HB   LYS  12          1HB       LYS  12  -1.548   2.190 -10.187
   59   1HG   LYS  12          2HG       LYS  12  -1.474  -0.047  -9.442
   60   2HG   LYS  12          1HG       LYS  12  -3.227  -0.141  -9.275
   61   1HD   LYS  12          2HD       LYS  12  -2.220   0.488 -11.994
   62   2HD   LYS  12          1HD       LYS  12  -1.889  -1.142 -11.409
   63   1HE   LYS  12          2HE       LYS  12  -4.017  -1.344 -12.449
   64   2HE   LYS  12          1HE       LYS  12  -4.418  -1.164 -10.731
   65   1HZ   LYS  12          1HZ       LYS  12  -5.109   0.971 -11.009
   66   2HZ   LYS  12          2HZ       LYS  12  -5.469   0.404 -12.568
   67   3HZ   LYS  12          3HZ       LYS  12  -4.044   1.287 -12.291
   68    H    SER  13           H        SER  13  -4.430   4.334  -8.632
   69    HA   SER  13           HA       SER  13  -2.246   6.354  -8.639
   70   1HB   SER  13          2HB       SER  13  -4.150   6.247 -10.327
   71   2HB   SER  13          1HB       SER  13  -5.236   6.687  -9.014
   72    HG   SER  13           HG       SER  13  -3.388   8.202 -10.392
   73    H    THR  14           H        THR  14  -3.329   4.791  -6.173
   74    HA   THR  14           HA       THR  14  -4.738   6.712  -4.517
   75    HB   THR  14           HB       THR  14  -4.575   4.126  -4.359
   76    HG1  THR  14           1HG      THR  14  -5.590   4.823  -2.660
   77   1HG2  THR  14          1HG2      THR  14  -1.915   4.517  -4.221
   78   2HG2  THR  14          2HG2      THR  14  -2.706   3.131  -3.474
   79   3HG2  THR  14          3HG2      THR  14  -2.290   4.539  -2.498
   80    H    PHE  15           H        PHE  15  -3.544   7.168  -2.231
   81    HA   PHE  15           HA       PHE  15  -0.773   8.171  -2.789
   82   1HB   PHE  15          2HB       PHE  15  -3.272   9.603  -2.194
   83   2HB   PHE  15          1HB       PHE  15  -1.950  10.052  -1.118
   84    HD1  PHE  15           1HD      PHE  15  -3.482  10.883  -4.121
   85    HD2  PHE  15           2HD      PHE  15   0.430  10.242  -2.463
   86    HE1  PHE  15           1HE      PHE  15  -2.491  12.275  -5.918
   87    HE2  PHE  15           2HE      PHE  15   1.419  11.632  -4.261
   88    HZ   PHE  15           HZ       PHE  15  -0.040  12.648  -5.989
   89    H    CYS  16           H        CYS  16   0.168   6.535  -1.468
   90    HA   CYS  16           HA       CYS  16  -0.798   5.986   1.241
   91   1HB   CYS  16          2HB       CYS  16   1.687   5.263  -0.346
   92   2HB   CYS  16          1HB       CYS  16   1.356   4.638   1.270
   93    H    CYS  17           H        CYS  17   1.150   6.087   3.009
   94    HA   CYS  17           HA       CYS  17   1.767   8.947   3.288
   95   1HB   CYS  17          2HB       CYS  17   2.155   6.466   4.977
   96   2HB   CYS  17          1HB       CYS  17   2.695   8.059   5.507
   97    H    SER  18           H        SER  18   4.179   6.782   4.552
   98    HA   SER  18           HA       SER  18   6.057   7.439   2.325
   99   1HB   SER  18          2HB       SER  18   7.396   7.706   4.854
  100   2HB   SER  18          1HB       SER  18   7.156   8.931   3.616
  101    HG   SER  18           HG       SER  18   5.897   8.575   6.005
  102    H    GLY  19           H        GLY  19   6.884   5.499   1.692
  103   1HA   GLY  19          2HA       GLY  19   8.194   3.525   1.969
  104   2HA   GLY  19          1HA       GLY  19   7.967   3.647   3.713
  105    H    TYR  20           H        TYR  20   5.294   3.769   1.383
  106    HA   TYR  20           HA       TYR  20   4.446   1.045   2.315
  107   1HB   TYR  20          2HB       TYR  20   2.809   3.582   2.004
  108   2HB   TYR  20          1HB       TYR  20   2.129   2.000   2.375
  109    HD1  TYR  20           1HD      TYR  20   3.234   4.995   3.798
  110    HD2  TYR  20           2HD      TYR  20   3.403   0.748   4.405
  111    HE1  TYR  20           1HE      TYR  20   3.703   5.358   6.205
  112    HE2  TYR  20           2HE      TYR  20   3.873   1.110   6.811
  113    HH   TYR  20           HH       TYR  20   3.245   3.451   8.474
  114    H    ASN  21           H        ASN  21   3.496  -0.251   0.718
  115    HA   ASN  21           HA       ASN  21   3.261   0.935  -2.031
  116   1HB   ASN  21          2HB       ASN  21   5.233  -0.576  -1.603
  117   2HB   ASN  21          1HB       ASN  21   4.096  -1.875  -1.238
  118   1HD2  ASN  21          1HD2      ASN  21   2.865  -2.797  -3.024
  119   2HD2  ASN  21          2HD2      ASN  21   3.253  -2.456  -4.642
  120    H    CYS  22           H        CYS  22   1.304   0.583  -3.025
  121    HA   CYS  22           HA       CYS  22  -0.841  -0.773  -1.551
  122   1HB   CYS  22          2HB       CYS  22  -1.354   1.276  -2.672
  123   2HB   CYS  22          1HB       CYS  22  -0.591   0.733  -4.166
  124    H    SER  23           H        SER  23  -1.503  -2.872  -1.906
  125    HA   SER  23           HA       SER  23  -0.171  -4.452  -4.038
  126   1HB   SER  23          2HB       SER  23  -0.816  -4.933  -1.414
  127   2HB   SER  23          1HB       SER  23  -2.164  -5.704  -2.241
  128    HG   SER  23           HG       SER  23   0.590  -6.247  -2.380
  129    HA   PRO  24           HA       PRO  24  -3.762  -4.182  -6.624
  130   1HB   PRO  24          2HB       PRO  24  -3.177  -6.234  -8.334
  131   2HB   PRO  24          1HB       PRO  24  -2.354  -4.662  -8.393
  132   1HG   PRO  24          2HG       PRO  24  -1.432  -7.238  -7.229
  133   2HG   PRO  24          1HG       PRO  24  -0.516  -5.998  -8.097
  134   1HD   PRO  24          2HD       PRO  24  -0.489  -6.296  -5.376
  135   2HD   PRO  24          1HD       PRO  24  -0.157  -4.763  -6.212
  136    H    THR  25           H        THR  25  -2.806  -7.257  -5.147
  137    HA   THR  25           HA       THR  25  -5.460  -8.476  -5.590
  138    HB   THR  25           HB       THR  25  -3.083  -9.461  -3.983
  139    HG1  THR  25           1HG      THR  25  -3.680  -9.725  -6.745
  140   1HG2  THR  25          1HG2      THR  25  -5.195 -10.698  -3.656
  141   2HG2  THR  25          2HG2      THR  25  -4.005 -11.679  -4.510
  142   3HG2  THR  25          3HG2      THR  25  -5.328 -10.926  -5.400
  143    H    TRP  26           H        TRP  26  -3.542  -7.176  -2.891
  144    HA   TRP  26           HA       TRP  26  -5.593  -7.831  -0.888
  145   1HB   TRP  26          2HB       TRP  26  -3.125  -6.071  -0.744
  146   2HB   TRP  26          1HB       TRP  26  -4.019  -6.725   0.622
  147    HD1  TRP  26           HD       TRP  26  -4.397  -9.627  -0.990
  148    HE1  TRP  26           1HE      TRP  26  -2.399 -11.245  -0.905
  149    HE3  TRP  26           3HE      TRP  26  -0.666  -6.376   0.276
  150    HZ2  TRP  26           2HZ      TRP  26   0.405 -11.184  -0.365
  151    HZ3  TRP  26           3HZ      TRP  26   1.657  -7.185   0.571
  152    HH2  TRP  26           HH       TRP  26   2.197  -9.583   0.252
  153    H    LYS  27           H        LYS  27  -4.727  -5.079  -2.883
  154    HA   LYS  27           HA       LYS  27  -5.875  -3.073  -3.300
  155   1HB   LYS  27          2HB       LYS  27  -7.765  -4.938  -2.506
  156   2HB   LYS  27          1HB       LYS  27  -8.076  -3.576  -1.430
  157   1HG   LYS  27          2HG       LYS  27  -9.395  -3.156  -3.365
  158   2HG   LYS  27          1HG       LYS  27  -7.991  -2.100  -3.523
  159   1HD   LYS  27          2HD       LYS  27  -6.916  -3.670  -5.039
  160   2HD   LYS  27          1HD       LYS  27  -8.215  -4.840  -4.799
  161   1HE   LYS  27          2HE       LYS  27  -9.837  -3.259  -5.795
  162   2HE   LYS  27          1HE       LYS  27  -8.530  -2.084  -6.045
  163   1HZ   LYS  27          1HZ       LYS  27  -7.334  -3.770  -7.331
  164   2HZ   LYS  27          2HZ       LYS  27  -8.839  -3.412  -8.032
  165   3HZ   LYS  27          3HZ       LYS  27  -8.633  -4.846  -7.145
  166    H    TRP  28           H        TRP  28  -4.125  -3.568  -0.714
  167    HA   TRP  28           HA       TRP  28  -4.938  -0.978   0.545
  168   1HB   TRP  28          2HB       TRP  28  -4.474  -1.937   2.760
  169   2HB   TRP  28          1HB       TRP  28  -5.719  -2.860   1.934
  170    HD1  TRP  28           HD       TRP  28  -1.845  -3.161   1.682
  171    HE1  TRP  28           1HE      TRP  28  -1.213  -5.602   2.198
  172    HE3  TRP  28           3HE      TRP  28  -6.459  -5.056   2.780
  173    HZ2  TRP  28           2HZ      TRP  28  -2.489  -8.037   2.982
  174    HZ3  TRP  28           3HZ      TRP  28  -6.720  -7.438   3.412
  175    HH2  TRP  28           HH       TRP  28  -4.743  -8.930   3.514
  176    H    CYS  29           H        CYS  29  -3.028  -0.161   2.002
  177    HA   CYS  29           HA       CYS  29  -0.506  -0.499   0.426
  178   1HB   CYS  29          2HB       CYS  29  -1.897   1.727   0.846
  179   2HB   CYS  29          1HB       CYS  29  -1.017   1.725   2.375
  180    H    VAL  30           H        VAL  30   1.197  -1.480   1.425
  181    HA   VAL  30           HA       VAL  30   1.267  -1.563   4.426
  182    HB   VAL  30           HB       VAL  30   2.285  -3.901   4.020
  183   1HG1  VAL  30          1HG1      VAL  30  -0.004  -4.909   3.679
  184   2HG1  VAL  30          2HG1      VAL  30  -0.606  -3.279   3.375
  185   3HG1  VAL  30          3HG1      VAL  30   0.075  -3.688   4.949
  186   1HG2  VAL  30          1HG2      VAL  30   0.786  -3.825   1.413
  187   2HG2  VAL  30          2HG2      VAL  30   2.063  -4.927   1.933
  188   3HG2  VAL  30          3HG2      VAL  30   2.462  -3.276   1.461
  189    H    TYR  31           H        TYR  31   3.600  -2.253   5.143
  190    HA   TYR  31           HA       TYR  31   5.502  -0.336   4.361
  191   1HB   TYR  31          2HB       TYR  31   5.716  -1.573   6.409
  192   2HB   TYR  31          1HB       TYR  31   5.751  -3.112   5.551
  193    HD1  TYR  31           1HD      TYR  31   7.838  -4.116   5.376
  194    HD2  TYR  31           2HD      TYR  31   7.587   0.173   5.414
  195    HE1  TYR  31           1HE      TYR  31  10.306  -3.970   5.196
  196    HE2  TYR  31           2HE      TYR  31  10.055   0.318   5.234
  197    HH   TYR  31           HH       TYR  31  11.945  -1.786   4.172
  198    H    ALA  32           H        ALA  32   6.736  -0.110   2.546
  199    HA   ALA  32           HA       ALA  32   6.744  -2.223   0.485
  200   1HB   ALA  32          1HB       ALA  32   6.379   0.224   0.048
  201   2HB   ALA  32          2HB       ALA  32   7.724  -0.446  -0.874
  202   3HB   ALA  32          3HB       ALA  32   8.037   0.523   0.566
  203    H    ARG  33           H        ARG  33   9.073  -2.347  -0.683
  204    HA   ARG  33           HA       ARG  33  11.195  -2.666   1.410
  205   1HB   ARG  33          2HB       ARG  33   9.983  -4.626  -0.507
  206   2HB   ARG  33          1HB       ARG  33  11.693  -4.795  -0.108
  207   1HG   ARG  33          2HG       ARG  33  10.893  -4.564   2.365
  208   2HG   ARG  33          1HG       ARG  33   9.306  -4.977   1.718
  209   1HD   ARG  33          2HD       ARG  33  11.454  -6.731   0.724
  210   2HD   ARG  33          1HD       ARG  33  11.200  -6.832   2.477
  211    HE   ARG  33           HE       ARG  33   9.015  -7.197   0.457
  212   1HH1  ARG  33          1HH1      ARG  33   8.396  -6.489   3.392
  213   2HH1  ARG  33          2HH1      ARG  33   8.068  -8.063   4.038
  214   1HH2  ARG  33          1HH2      ARG  33   9.485  -9.752   1.352
  215   2HH2  ARG  33          2HH2      ARG  33   8.686  -9.915   2.880
  216    HA   PRO  34           HA       PRO  34  13.584  -0.538  -1.656
  217   1HB   PRO  34          2HB       PRO  34  16.070  -1.003  -0.611
  218   2HB   PRO  34          1HB       PRO  34  14.933   0.171   0.080
  219   1HG   PRO  34          2HG       PRO  34  15.581  -2.588   0.977
  220   2HG   PRO  34          1HG       PRO  34  15.244  -1.139   1.935
  221   1HD   PRO  34          2HD       PRO  34  13.426  -3.135   1.503
  222   2HD   PRO  34          1HD       PRO  34  12.982  -1.449   1.843
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  -4.720   9.457   0.890
    2   2H    GLY   1          2HT       GLY   1  -4.770  10.925   0.036
    3   3H    GLY   1          3HT       GLY   1  -6.116  10.420   0.940
    4   1HA   GLY   1          2HA       GLY   1  -4.319  12.174   1.826
    5   2HA   GLY   1          1HA       GLY   1  -5.283  11.140   2.880
    6    H    CYS   2           H        CYS   2  -4.186   9.778   4.220
    7    HA   CYS   2           HA       CYS   2  -1.351   9.076   3.534
    8   1HB   CYS   2          2HB       CYS   2  -2.386  10.786   5.601
    9   2HB   CYS   2          1HB       CYS   2  -1.670   9.363   6.357
   10    H    GLY   3           H        GLY   3  -1.555   6.866   3.196
   11   1HA   GLY   3          2HA       GLY   3  -3.129   5.293   5.195
   12   2HA   GLY   3          1HA       GLY   3  -2.787   4.753   3.551
   13    H    GLY   4           H        GLY   4  -2.072   3.727   6.408
   14   1HA   GLY   4          2HA       GLY   4   0.690   2.953   5.669
   15   2HA   GLY   4          1HA       GLY   4   0.477   3.752   7.225
   16    H    LEU   5           H        LEU   5   1.013   0.827   6.105
   17    HA   LEU   5           HA       LEU   5   0.667  -1.349   6.919
   18   1HB   LEU   5          2HB       LEU   5   0.398   0.541   9.091
   19   2HB   LEU   5          1HB       LEU   5  -0.666  -0.837   9.367
   20    HG   LEU   5           HG       LEU   5   1.537  -1.288  10.334
   21   1HD1  LEU   5          1HD1      LEU   5   0.148  -3.051   8.955
   22   2HD1  LEU   5          2HD1      LEU   5   1.782  -3.450   9.485
   23   3HD1  LEU   5          3HD1      LEU   5   1.496  -2.939   7.822
   24   1HD2  LEU   5          1HD2      LEU   5   3.493  -0.787   9.291
   25   2HD2  LEU   5          2HD2      LEU   5   2.498   0.191   8.214
   26   3HD2  LEU   5          3HD2      LEU   5   2.945  -1.450   7.751
   27    H    MET   6           H        MET   6  -0.887  -2.051   5.412
   28    HA   MET   6           HA       MET   6  -2.971  -2.852   4.675
   29   1HB   MET   6          2HB       MET   6  -3.410  -2.600   7.668
   30   2HB   MET   6          1HB       MET   6  -4.547  -3.399   6.584
   31   1HG   MET   6          2HG       MET   6  -2.342  -4.682   5.804
   32   2HG   MET   6          1HG       MET   6  -1.815  -4.260   7.433
   33   1HE   MET   6          1HE       MET   6  -1.634  -6.732   6.672
   34   2HE   MET   6          2HE       MET   6  -3.038  -7.642   6.120
   35   3HE   MET   6          3HE       MET   6  -2.479  -7.821   7.781
   36    H    ALA   7           H        ALA   7  -2.553  -0.087   4.346
   37    HA   ALA   7           HA       ALA   7  -5.005   1.314   5.257
   38   1HB   ALA   7          1HB       ALA   7  -3.652   3.107   4.998
   39   2HB   ALA   7          2HB       ALA   7  -3.358   2.700   3.306
   40   3HB   ALA   7          3HB       ALA   7  -2.356   1.989   4.572
   41    H    GLY   8           H        GLY   8  -6.841   1.380   4.014
   42   1HA   GLY   8          2HA       GLY   8  -7.269  -0.083   1.672
   43   2HA   GLY   8          1HA       GLY   8  -8.240   1.317   2.124
   44    H    CYS   9           H        CYS   9  -6.340   0.106  -0.289
   45    HA   CYS   9           HA       CYS   9  -5.365   2.779  -1.206
   46   1HB   CYS   9          2HB       CYS   9  -3.614   1.177  -1.144
   47   2HB   CYS   9          1HB       CYS   9  -4.654  -0.101  -1.769
   48    H    ASP  10           H        ASP  10  -6.566  -0.181  -2.807
   49    HA   ASP  10           HA       ASP  10  -8.043  -0.471  -4.622
   50   1HB   ASP  10          2HB       ASP  10  -9.309   0.707  -2.582
   51   2HB   ASP  10          1HB       ASP  10  -9.462   2.016  -3.753
   52    H    GLY  11           H        GLY  11  -5.961   0.452  -5.848
   53   1HA   GLY  11          2HA       GLY  11  -6.733   1.907  -8.076
   54   2HA   GLY  11          1HA       GLY  11  -6.200   3.139  -6.933
   55    H    LYS  12           H        LYS  12  -5.113   1.544  -9.504
   56    HA   LYS  12           HA       LYS  12  -2.564   0.471  -8.709
   57   1HB   LYS  12          2HB       LYS  12  -2.132   0.505 -11.108
   58   2HB   LYS  12          1HB       LYS  12  -3.813   0.046 -10.843
   59   1HG   LYS  12          2HG       LYS  12  -3.763   2.882 -10.998
   60   2HG   LYS  12          1HG       LYS  12  -2.772   2.285 -12.330
   61   1HD   LYS  12          2HD       LYS  12  -4.541   1.175 -13.335
   62   2HD   LYS  12          1HD       LYS  12  -5.403   0.950 -11.811
   63   1HE   LYS  12          2HE       LYS  12  -5.007   3.750 -12.833
   64   2HE   LYS  12          1HE       LYS  12  -6.280   2.743 -13.549
   65   1HZ   LYS  12          1HZ       LYS  12  -5.890   3.238 -10.642
   66   2HZ   LYS  12          2HZ       LYS  12  -7.090   2.244 -11.322
   67   3HZ   LYS  12          3HZ       LYS  12  -7.110   3.919 -11.601
   68    H    SER  13           H        SER  13  -3.678   3.733  -8.925
   69    HA   SER  13           HA       SER  13  -0.851   4.747  -8.964
   70   1HB   SER  13          2HB       SER  13  -2.619   5.312 -10.805
   71   2HB   SER  13          1HB       SER  13  -3.326   6.359  -9.578
   72    HG   SER  13           HG       SER  13  -1.791   7.723  -9.985
   73    H    THR  14           H        THR  14  -2.726   3.824  -6.660
   74    HA   THR  14           HA       THR  14  -3.194   6.314  -5.151
   75    HB   THR  14           HB       THR  14  -3.606   3.351  -4.714
   76    HG1  THR  14           1HG      THR  14  -5.645   3.853  -5.087
   77   1HG2  THR  14          1HG2      THR  14  -4.875   4.205  -2.605
   78   2HG2  THR  14          2HG2      THR  14  -3.818   5.610  -2.739
   79   3HG2  THR  14          3HG2      THR  14  -3.125   4.004  -2.513
   80    H    PHE  15           H        PHE  15  -1.760   7.140  -3.667
   81    HA   PHE  15           HA       PHE  15   0.724   5.573  -3.101
   82   1HB   PHE  15          2HB       PHE  15   0.049   8.524  -2.845
   83   2HB   PHE  15          1HB       PHE  15   1.639   7.817  -2.561
   84    HD1  PHE  15           1HD      PHE  15  -0.144   9.591  -4.903
   85    HD2  PHE  15           2HD      PHE  15   2.257   6.041  -4.610
   86    HE1  PHE  15           1HE      PHE  15   0.343   9.720  -7.333
   87    HE2  PHE  15           2HE      PHE  15   2.743   6.170  -7.038
   88    HZ   PHE  15           HZ       PHE  15   1.787   8.009  -8.400
   89    H    CYS  16           H        CYS  16   1.509   5.492  -0.906
   90    HA   CYS  16           HA       CYS  16  -0.645   5.400   1.111
   91   1HB   CYS  16          2HB       CYS  16   2.317   4.772   1.330
   92   2HB   CYS  16          1HB       CYS  16   1.035   4.207   2.400
   93    H    CYS  17           H        CYS  17   1.097   6.001   3.381
   94    HA   CYS  17           HA       CYS  17   0.913   8.946   3.305
   95   1HB   CYS  17          2HB       CYS  17   0.052   7.464   5.159
   96   2HB   CYS  17          1HB       CYS  17   1.727   7.075   5.547
   97    H    SER  18           H        SER  18   3.422   6.832   4.724
   98    HA   SER  18           HA       SER  18   5.551   8.130   3.153
   99   1HB   SER  18          2HB       SER  18   6.634   8.988   5.273
  100   2HB   SER  18          1HB       SER  18   5.128   9.801   4.855
  101    HG   SER  18           HG       SER  18   4.621   9.254   6.832
  102    H    GLY  19           H        GLY  19   6.720   6.326   2.623
  103   1HA   GLY  19          2HA       GLY  19   8.282   4.582   3.090
  104   2HA   GLY  19          1HA       GLY  19   7.787   4.621   4.781
  105    H    TYR  20           H        TYR  20   5.334   4.470   2.294
  106    HA   TYR  20           HA       TYR  20   4.985   1.529   2.749
  107   1HB   TYR  20          2HB       TYR  20   2.909   3.736   3.003
  108   2HB   TYR  20          1HB       TYR  20   2.545   2.013   3.070
  109    HD1  TYR  20           1HD      TYR  20   3.760   0.606   4.876
  110    HD2  TYR  20           2HD      TYR  20   3.566   4.895   4.940
  111    HE1  TYR  20           1HE      TYR  20   4.290   0.594   7.296
  112    HE2  TYR  20           2HE      TYR  20   4.096   4.882   7.362
  113    HH   TYR  20           HH       TYR  20   3.685   2.686   9.317
  114    H    ASN  21           H        ASN  21   3.650   0.517   1.034
  115    HA   ASN  21           HA       ASN  21   3.296   2.180  -1.435
  116   1HB   ASN  21          2HB       ASN  21   5.467   0.985  -1.489
  117   2HB   ASN  21          1HB       ASN  21   4.628  -0.541  -1.210
  118   1HD2  ASN  21          1HD2      ASN  21   4.378   2.257  -3.504
  119   2HD2  ASN  21          2HD2      ASN  21   4.084   1.289  -4.867
  120    H    CYS  22           H        CYS  22   1.384   1.715  -2.518
  121    HA   CYS  22           HA       CYS  22  -0.632   0.054  -1.320
  122   1HB   CYS  22          2HB       CYS  22  -1.243   1.932  -2.681
  123   2HB   CYS  22          1HB       CYS  22  -0.261   1.360  -4.028
  124    H    SER  23           H        SER  23  -1.389  -2.013  -1.951
  125    HA   SER  23           HA       SER  23   0.490  -3.609  -3.658
  126   1HB   SER  23          2HB       SER  23  -1.183  -4.126  -1.221
  127   2HB   SER  23          1HB       SER  23  -0.815  -5.472  -2.294
  128    HG   SER  23           HG       SER  23   0.762  -5.179  -0.641
  129    HA   PRO  24           HA       PRO  24  -2.981  -3.867  -6.440
  130   1HB   PRO  24          2HB       PRO  24  -1.862  -5.616  -8.217
  131   2HB   PRO  24          1HB       PRO  24  -1.427  -3.897  -8.151
  132   1HG   PRO  24          2HG       PRO  24   0.026  -6.259  -7.083
  133   2HG   PRO  24          1HG       PRO  24   0.659  -4.782  -7.825
  134   1HD   PRO  24          2HD       PRO  24   0.630  -5.263  -5.125
  135   2HD   PRO  24          1HD       PRO  24   0.658  -3.642  -5.852
  136    H    THR  25           H        THR  25  -1.429  -6.654  -4.934
  137    HA   THR  25           HA       THR  25  -3.643  -8.485  -5.647
  138    HB   THR  25           HB       THR  25  -1.152  -8.838  -3.944
  139    HG1  THR  25           1HG      THR  25  -1.679  -9.337  -6.688
  140   1HG2  THR  25          1HG2      THR  25  -2.753 -10.580  -3.462
  141   2HG2  THR  25          2HG2      THR  25  -1.521 -11.265  -4.522
  142   3HG2  THR  25          3HG2      THR  25  -3.094 -10.810  -5.178
  143    H    TRP  26           H        TRP  26  -2.570  -6.551  -2.907
  144    HA   TRP  26           HA       TRP  26  -4.561  -7.879  -1.117
  145   1HB   TRP  26          2HB       TRP  26  -2.368  -5.855  -0.557
  146   2HB   TRP  26          1HB       TRP  26  -3.303  -6.734   0.648
  147    HD1  TRP  26           HD       TRP  26  -0.473  -7.143  -1.838
  148    HE1  TRP  26           1HE      TRP  26   0.670  -9.419  -1.464
  149    HE3  TRP  26           3HE      TRP  26  -3.725  -9.231   1.504
  150    HZ2  TRP  26           2HZ      TRP  26   0.269 -11.806   0.054
  151    HZ3  TRP  26           3HZ      TRP  26  -3.318 -11.504   2.398
  152    HH2  TRP  26           HH       TRP  26  -1.328 -12.795   1.678
  153    H    LYS  27           H        LYS  27  -4.133  -5.046  -3.032
  154    HA   LYS  27           HA       LYS  27  -5.537  -3.212  -3.418
  155   1HB   LYS  27          2HB       LYS  27  -7.136  -5.297  -2.570
  156   2HB   LYS  27          1HB       LYS  27  -7.592  -3.992  -1.473
  157   1HG   LYS  27          2HG       LYS  27  -7.464  -2.668  -3.873
  158   2HG   LYS  27          1HG       LYS  27  -8.048  -4.254  -4.377
  159   1HD   LYS  27          2HD       LYS  27  -9.560  -3.782  -2.127
  160   2HD   LYS  27          1HD       LYS  27  -9.409  -2.164  -2.813
  161   1HE   LYS  27          2HE       LYS  27 -11.067  -2.731  -4.258
  162   2HE   LYS  27          1HE       LYS  27  -9.922  -3.854  -5.017
  163   1HZ   LYS  27          1HZ       LYS  27 -10.506  -5.516  -3.352
  164   2HZ   LYS  27          2HZ       LYS  27 -11.881  -5.033  -4.225
  165   3HZ   LYS  27          3HZ       LYS  27 -11.624  -4.449  -2.650
  166    H    TRP  28           H        TRP  28  -3.763  -3.517  -0.736
  167    HA   TRP  28           HA       TRP  28  -4.745  -0.908   0.319
  168   1HB   TRP  28          2HB       TRP  28  -4.500  -1.725   2.628
  169   2HB   TRP  28          1HB       TRP  28  -5.669  -2.687   1.739
  170    HD1  TRP  28           HD       TRP  28  -1.804  -2.946   2.130
  171    HE1  TRP  28           1HE      TRP  28  -1.246  -5.382   2.757
  172    HE3  TRP  28           3HE      TRP  28  -6.508  -4.931   2.286
  173    HZ2  TRP  28           2HZ      TRP  28  -2.602  -7.840   3.263
  174    HZ3  TRP  28           3HZ      TRP  28  -6.844  -7.321   2.848
  175    HH2  TRP  28           HH       TRP  28  -4.899  -8.777   3.336
  176    H    CYS  29           H        CYS  29  -2.999  -0.031   1.958
  177    HA   CYS  29           HA       CYS  29  -0.428  -0.038   0.510
  178   1HB   CYS  29          2HB       CYS  29  -1.889   1.607   2.511
  179   2HB   CYS  29          1HB       CYS  29  -0.130   1.669   2.601
  180    H    VAL  30           H        VAL  30   1.420  -1.000   1.244
  181    HA   VAL  30           HA       VAL  30   1.412  -2.229   3.984
  182    HB   VAL  30           HB       VAL  30   2.754  -4.049   2.931
  183   1HG1  VAL  30          1HG1      VAL  30   0.172  -3.989   3.007
  184   2HG1  VAL  30          2HG1      VAL  30   0.930  -5.149   1.915
  185   3HG1  VAL  30          3HG1      VAL  30   0.263  -3.645   1.279
  186   1HG2  VAL  30          1HG2      VAL  30   3.408  -4.036   0.716
  187   2HG2  VAL  30          2HG2      VAL  30   3.405  -2.296   1.007
  188   3HG2  VAL  30          3HG2      VAL  30   2.031  -3.059   0.206
  189    H    TYR  31           H        TYR  31   3.961  -2.896   4.354
  190    HA   TYR  31           HA       TYR  31   5.377  -0.386   4.635
  191   1HB   TYR  31          2HB       TYR  31   5.557  -3.137   5.481
  192   2HB   TYR  31          1HB       TYR  31   7.134  -2.613   4.890
  193    HD1  TYR  31           1HD      TYR  31   5.124  -2.769   7.732
  194    HD2  TYR  31           2HD      TYR  31   7.732  -0.070   5.643
  195    HE1  TYR  31           1HE      TYR  31   5.485  -1.494   9.827
  196    HE2  TYR  31           2HE      TYR  31   8.091   1.206   7.738
  197    HH   TYR  31           HH       TYR  31   7.748   0.251  10.552
  198    H    ALA  32           H        ALA  32   7.255   0.323   3.508
  199    HA   ALA  32           HA       ALA  32   7.396  -0.358   0.687
  200   1HB   ALA  32          1HB       ALA  32   9.261   1.290   0.753
  201   2HB   ALA  32          2HB       ALA  32   9.203   1.261   2.516
  202   3HB   ALA  32          3HB       ALA  32   7.832   1.888   1.598
  203    H    ARG  33           H        ARG  33   8.310  -2.273   0.036
  204    HA   ARG  33           HA       ARG  33  10.143  -3.841   1.606
  205   1HB   ARG  33          2HB       ARG  33   8.968  -3.827  -1.130
  206   2HB   ARG  33          1HB       ARG  33  10.441  -4.774  -0.922
  207   1HG   ARG  33          2HG       ARG  33   8.838  -5.345   1.332
  208   2HG   ARG  33          1HG       ARG  33   7.752  -5.391  -0.057
  209   1HD   ARG  33          2HD       ARG  33   8.555  -7.472  -0.481
  210   2HD   ARG  33          1HD       ARG  33  10.093  -6.704  -0.922
  211    HE   ARG  33           HE       ARG  33  10.669  -6.835   1.558
  212   1HH1  ARG  33          1HH1      ARG  33   7.954  -7.853   2.416
  213   2HH1  ARG  33          2HH1      ARG  33   8.254  -9.550   2.590
  214   1HH2  ARG  33          1HH2      ARG  33  11.222  -9.480   0.787
  215   2HH2  ARG  33          2HH2      ARG  33  10.107 -10.473   1.666
  216    HA   PRO  34           HA       PRO  34  13.574  -2.212  -1.318
  217   1HB   PRO  34          2HB       PRO  34  12.991  -0.114  -2.978
  218   2HB   PRO  34          1HB       PRO  34  12.783  -1.811  -3.452
  219   1HG   PRO  34          2HG       PRO  34  10.752   0.163  -2.544
  220   2HG   PRO  34          1HG       PRO  34  10.633  -1.090  -3.789
  221   1HD   PRO  34          2HD       PRO  34   9.577  -1.338  -1.287
  222   2HD   PRO  34          1HD       PRO  34  10.090  -2.718  -2.280
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1  -4.588   8.645   0.772
    2   2H    GLY   1          2HT       GLY   1  -3.192   8.891  -0.168
    3   3H    GLY   1          3HT       GLY   1  -4.593   9.808  -0.464
    4   1HA   GLY   1          2HA       GLY   1  -3.133  11.226   0.699
    5   2HA   GLY   1          1HA       GLY   1  -4.376  10.720   1.843
    6    H    CYS   2           H        CYS   2  -3.765   9.539   3.641
    7    HA   CYS   2           HA       CYS   2  -0.845   8.886   3.877
    8   1HB   CYS   2          2HB       CYS   2  -1.743  10.710   5.318
    9   2HB   CYS   2          1HB       CYS   2  -2.904   9.572   6.002
   10    H    GLY   3           H        GLY   3  -1.498   6.770   2.828
   11   1HA   GLY   3          2HA       GLY   3  -3.001   4.947   4.634
   12   2HA   GLY   3          1HA       GLY   3  -2.591   4.611   2.951
   13    H    GLY   4           H        GLY   4  -1.946   3.392   5.806
   14   1HA   GLY   4          2HA       GLY   4   0.711   2.432   5.003
   15   2HA   GLY   4          1HA       GLY   4   0.689   3.364   6.501
   16    H    LEU   5           H        LEU   5   1.083   0.383   5.802
   17    HA   LEU   5           HA       LEU   5   0.633  -1.682   6.834
   18   1HB   LEU   5          2HB       LEU   5   0.079   0.469   8.798
   19   2HB   LEU   5          1HB       LEU   5  -0.609  -1.103   9.197
   20    HG   LEU   5           HG       LEU   5   1.653  -0.884  10.142
   21   1HD1  LEU   5          1HD1      LEU   5   1.964  -2.771   7.823
   22   2HD1  LEU   5          2HD1      LEU   5   0.702  -3.067   9.020
   23   3HD1  LEU   5          3HD1      LEU   5   2.393  -3.009   9.517
   24   1HD2  LEU   5          1HD2      LEU   5   2.711  -0.783   7.313
   25   2HD2  LEU   5          2HD2      LEU   5   3.572  -0.455   8.818
   26   3HD2  LEU   5          3HD2      LEU   5   2.373   0.693   8.219
   27    H    MET   6           H        MET   6  -0.930  -2.341   5.233
   28    HA   MET   6           HA       MET   6  -3.032  -3.094   4.492
   29   1HB   MET   6          2HB       MET   6  -3.201  -3.010   7.500
   30   2HB   MET   6          1HB       MET   6  -4.618  -3.474   6.559
   31   1HG   MET   6          2HG       MET   6  -2.101  -4.787   5.735
   32   2HG   MET   6          1HG       MET   6  -2.672  -5.222   7.345
   33   1HE   MET   6          1HE       MET   6  -3.405  -7.435   7.309
   34   2HE   MET   6          2HE       MET   6  -2.573  -7.656   5.772
   35   3HE   MET   6          3HE       MET   6  -4.205  -8.286   5.980
   36    H    ALA   7           H        ALA   7  -2.581  -0.304   4.266
   37    HA   ALA   7           HA       ALA   7  -4.948   1.141   5.259
   38   1HB   ALA   7          1HB       ALA   7  -2.368   1.768   4.495
   39   2HB   ALA   7          2HB       ALA   7  -3.659   2.943   4.734
   40   3HB   ALA   7          3HB       ALA   7  -3.315   2.330   3.118
   41    H    GLY   8           H        GLY   8  -6.870   1.314   4.144
   42   1HA   GLY   8          2HA       GLY   8  -7.397  -0.167   1.763
   43   2HA   GLY   8          1HA       GLY   8  -8.442   1.098   2.411
   44    H    CYS   9           H        CYS   9  -6.288   0.288  -0.099
   45    HA   CYS   9           HA       CYS   9  -5.757   3.111  -0.862
   46   1HB   CYS   9          2HB       CYS   9  -4.784   0.378  -1.616
   47   2HB   CYS   9          1HB       CYS   9  -4.574   1.694  -2.770
   48    H    ASP  10           H        ASP  10  -7.180   0.167  -2.291
   49    HA   ASP  10           HA       ASP  10  -8.884  -0.107  -3.898
   50   1HB   ASP  10          2HB       ASP  10  -9.819   1.645  -2.175
   51   2HB   ASP  10          1HB       ASP  10  -9.561   2.800  -3.481
   52    H    GLY  11           H        GLY  11  -6.419   0.283  -4.981
   53   1HA   GLY  11          2HA       GLY  11  -6.689   0.932  -7.606
   54   2HA   GLY  11          1HA       GLY  11  -6.438   2.522  -6.878
   55    H    LYS  12           H        LYS  12  -4.787   0.196  -8.427
   56    HA   LYS  12           HA       LYS  12  -2.472  -0.309  -6.822
   57   1HB   LYS  12          2HB       LYS  12  -1.454  -0.874  -9.009
   58   2HB   LYS  12          1HB       LYS  12  -3.082  -1.533  -8.873
   59   1HG   LYS  12          2HG       LYS  12  -3.244   1.132  -9.947
   60   2HG   LYS  12          1HG       LYS  12  -2.077   0.202 -10.888
   61   1HD   LYS  12          2HD       LYS  12  -3.659  -1.320 -11.608
   62   2HD   LYS  12          1HD       LYS  12  -4.656  -1.124 -10.167
   63   1HE   LYS  12          2HE       LYS  12  -4.369   1.255 -11.961
   64   2HE   LYS  12          1HE       LYS  12  -5.410  -0.072 -12.511
   65   1HZ   LYS  12          1HZ       LYS  12  -5.576   1.420  -9.951
   66   2HZ   LYS  12          2HZ       LYS  12  -6.392  -0.045 -10.213
   67   3HZ   LYS  12          3HZ       LYS  12  -6.755   1.317 -11.164
   68    H    SER  13           H        SER  13  -3.516   2.590  -8.424
   69    HA   SER  13           HA       SER  13  -0.763   3.759  -8.272
   70   1HB   SER  13          2HB       SER  13  -2.461   3.691 -10.340
   71   2HB   SER  13          1HB       SER  13  -3.096   5.130  -9.548
   72    HG   SER  13           HG       SER  13  -1.265   6.168  -9.940
   73    H    THR  14           H        THR  14  -2.788   3.377  -5.980
   74    HA   THR  14           HA       THR  14  -3.669   6.089  -5.300
   75    HB   THR  14           HB       THR  14  -3.649   3.370  -3.969
   76    HG1  THR  14           1HG      THR  14  -5.662   3.380  -4.593
   77   1HG2  THR  14          1HG2      THR  14  -5.048   4.518  -2.166
   78   2HG2  THR  14          2HG2      THR  14  -4.414   6.045  -2.779
   79   3HG2  THR  14          3HG2      THR  14  -3.315   4.836  -2.114
   80    H    PHE  15           H        PHE  15  -2.497   7.571  -4.127
   81    HA   PHE  15           HA       PHE  15   0.286   6.973  -3.416
   82   1HB   PHE  15          2HB       PHE  15  -0.588   9.102  -4.453
   83   2HB   PHE  15          1HB       PHE  15  -1.405   9.447  -2.929
   84    HD1  PHE  15           1HD      PHE  15  -0.289  10.838  -1.437
   85    HD2  PHE  15           2HD      PHE  15   2.005   8.372  -4.105
   86    HE1  PHE  15           1HE      PHE  15   1.806  11.809  -0.534
   87    HE2  PHE  15           2HE      PHE  15   4.100   9.342  -3.198
   88    HZ   PHE  15           HZ       PHE  15   3.999  11.061  -1.415
   89    H    CYS  16           H        CYS  16   1.081   6.672  -1.341
   90    HA   CYS  16           HA       CYS  16  -0.933   6.527   0.871
   91   1HB   CYS  16          2HB       CYS  16   1.611   5.071   0.162
   92   2HB   CYS  16          1HB       CYS  16   0.987   5.021   1.811
   93    H    CYS  17           H        CYS  17   0.772   6.578   3.070
   94    HA   CYS  17           HA       CYS  17   1.370   9.416   3.273
   95   1HB   CYS  17          2HB       CYS  17   0.701   7.363   4.978
   96   2HB   CYS  17          1HB       CYS  17   2.403   7.618   5.358
   97    H    SER  18           H        SER  18   3.610   6.776   4.172
   98    HA   SER  18           HA       SER  18   5.716   7.821   2.393
   99   1HB   SER  18          2HB       SER  18   5.448   8.473   5.281
  100   2HB   SER  18          1HB       SER  18   7.067   8.036   4.741
  101    HG   SER  18           HG       SER  18   6.598  10.291   4.525
  102    H    GLY  19           H        GLY  19   6.871   6.054   1.757
  103   1HA   GLY  19          2HA       GLY  19   8.023   4.006   1.882
  104   2HA   GLY  19          1HA       GLY  19   7.809   4.048   3.630
  105    H    TYR  20           H        TYR  20   5.001   4.361   1.570
  106    HA   TYR  20           HA       TYR  20   4.266   1.512   2.154
  107   1HB   TYR  20          2HB       TYR  20   2.633   4.058   2.414
  108   2HB   TYR  20          1HB       TYR  20   1.950   2.440   2.544
  109    HD1  TYR  20           1HD      TYR  20   2.909   5.074   4.477
  110    HD2  TYR  20           2HD      TYR  20   3.669   0.867   4.113
  111    HE1  TYR  20           1HE      TYR  20   3.573   4.989   6.863
  112    HE2  TYR  20           2HE      TYR  20   4.333   0.779   6.497
  113    HH   TYR  20           HH       TYR  20   3.618   2.499   8.668
  114    H    ASN  21           H        ASN  21   3.350   0.436   0.419
  115    HA   ASN  21           HA       ASN  21   2.697   2.053  -2.025
  116   1HB   ASN  21          2HB       ASN  21   4.873   0.546  -1.792
  117   2HB   ASN  21          1HB       ASN  21   3.740  -0.758  -2.150
  118   1HD2  ASN  21          1HD2      ASN  21   2.435  -0.501  -4.219
  119   2HD2  ASN  21          2HD2      ASN  21   3.127   0.356  -5.511
  120    H    CYS  22           H        CYS  22   0.661   1.676  -2.815
  121    HA   CYS  22           HA       CYS  22  -1.194  -0.085  -1.477
  122   1HB   CYS  22          2HB       CYS  22  -1.259   1.360  -4.145
  123   2HB   CYS  22          1HB       CYS  22  -2.666   0.626  -3.378
  124    H    SER  23           H        SER  23  -2.108  -2.056  -2.247
  125    HA   SER  23           HA       SER  23  -0.421  -3.521  -4.238
  126   1HB   SER  23          2HB       SER  23  -2.276  -4.456  -2.023
  127   2HB   SER  23          1HB       SER  23  -1.312  -5.517  -3.048
  128    HG   SER  23           HG       SER  23  -0.581  -3.985  -0.897
  129    HA   PRO  24           HA       PRO  24  -3.971  -3.424  -6.901
  130   1HB   PRO  24          2HB       PRO  24  -3.095  -5.226  -8.757
  131   2HB   PRO  24          1HB       PRO  24  -2.474  -3.568  -8.656
  132   1HG   PRO  24          2HG       PRO  24  -1.261  -6.104  -7.701
  133   2HG   PRO  24          1HG       PRO  24  -0.487  -4.681  -8.412
  134   1HD   PRO  24          2HD       PRO  24  -0.507  -5.251  -5.727
  135   2HD   PRO  24          1HD       PRO  24  -0.312  -3.619  -6.403
  136    H    THR  25           H        THR  25  -2.624  -6.493  -5.744
  137    HA   THR  25           HA       THR  25  -5.112  -7.979  -6.312
  138    HB   THR  25           HB       THR  25  -2.522  -8.741  -4.917
  139    HG1  THR  25           1HG      THR  25  -1.806  -8.625  -6.875
  140   1HG2  THR  25          1HG2      THR  25  -3.439 -11.047  -5.910
  141   2HG2  THR  25          2HG2      THR  25  -4.989 -10.235  -5.687
  142   3HG2  THR  25          3HG2      THR  25  -3.913 -10.475  -4.310
  143    H    TRP  26           H        TRP  26  -3.288  -6.812  -3.490
  144    HA   TRP  26           HA       TRP  26  -5.279  -7.861  -1.592
  145   1HB   TRP  26          2HB       TRP  26  -2.932  -5.984  -1.174
  146   2HB   TRP  26          1HB       TRP  26  -3.754  -6.935   0.054
  147    HD1  TRP  26           HD       TRP  26  -3.921  -9.580  -1.934
  148    HE1  TRP  26           1HE      TRP  26  -1.788 -11.007  -2.147
  149    HE3  TRP  26           3HE      TRP  26  -0.432  -6.194  -0.366
  150    HZ2  TRP  26           2HZ      TRP  26   1.026 -10.752  -1.707
  151    HZ3  TRP  26           3HZ      TRP  26   1.966  -6.813  -0.275
  152    HH2  TRP  26           HH       TRP  26   2.698  -9.085  -0.942
  153    H    LYS  27           H        LYS  27  -4.633  -4.879  -3.290
  154    HA   LYS  27           HA       LYS  27  -5.918  -2.919  -3.476
  155   1HB   LYS  27          2HB       LYS  27  -7.706  -4.826  -3.001
  156   2HB   LYS  27          1HB       LYS  27  -7.879  -3.965  -1.471
  157   1HG   LYS  27          2HG       LYS  27  -7.939  -1.851  -3.117
  158   2HG   LYS  27          1HG       LYS  27  -8.547  -3.070  -4.238
  159   1HD   LYS  27          2HD       LYS  27  -9.968  -3.647  -1.954
  160   2HD   LYS  27          1HD       LYS  27  -9.840  -1.889  -1.871
  161   1HE   LYS  27          2HE       LYS  27 -10.893  -1.607  -4.000
  162   2HE   LYS  27          1HE       LYS  27 -10.724  -3.331  -4.388
  163   1HZ   LYS  27          1HZ       LYS  27 -12.960  -2.761  -3.546
  164   2HZ   LYS  27          2HZ       LYS  27 -12.263  -2.266  -2.077
  165   3HZ   LYS  27          3HZ       LYS  27 -12.162  -3.891  -2.566
  166    H    TRP  28           H        TRP  28  -4.147  -3.708  -0.842
  167    HA   TRP  28           HA       TRP  28  -4.933  -1.170   0.549
  168   1HB   TRP  28          2HB       TRP  28  -4.410  -2.276   2.683
  169   2HB   TRP  28          1HB       TRP  28  -5.658  -3.156   1.813
  170    HD1  TRP  28           HD       TRP  28  -1.772  -3.331   1.673
  171    HE1  TRP  28           1HE      TRP  28  -1.090  -5.804   1.892
  172    HE3  TRP  28           3HE      TRP  28  -6.375  -5.472   2.202
  173    HZ2  TRP  28           2HZ      TRP  28  -2.327  -8.352   2.253
  174    HZ3  TRP  28           3HZ      TRP  28  -6.594  -7.923   2.486
  175    HH2  TRP  28           HH       TRP  28  -4.577  -9.365   2.513
  176    H    CYS  29           H        CYS  29  -3.092  -0.275   1.896
  177    HA   CYS  29           HA       CYS  29  -0.598  -0.325   0.295
  178   1HB   CYS  29          2HB       CYS  29  -2.029   1.690   1.254
  179   2HB   CYS  29          1HB       CYS  29  -1.089   1.385   2.713
  180    H    VAL  30           H        VAL  30   1.400  -0.972   1.133
  181    HA   VAL  30           HA       VAL  30   1.512  -1.921   3.969
  182    HB   VAL  30           HB       VAL  30   2.660  -3.991   3.099
  183   1HG1  VAL  30          1HG1      VAL  30   0.658  -5.126   2.745
  184   2HG1  VAL  30          2HG1      VAL  30  -0.029  -3.817   1.785
  185   3HG1  VAL  30          3HG1      VAL  30   0.090  -3.655   3.537
  186   1HG2  VAL  30          1HG2      VAL  30   2.433  -4.535   0.713
  187   2HG2  VAL  30          2HG2      VAL  30   3.346  -3.039   0.906
  188   3HG2  VAL  30          3HG2      VAL  30   1.651  -2.980   0.418
  189    H    TYR  31           H        TYR  31   3.825  -2.243   4.668
  190    HA   TYR  31           HA       TYR  31   5.479  -0.017   3.985
  191   1HB   TYR  31          2HB       TYR  31   5.350  -1.793   6.003
  192   2HB   TYR  31          1HB       TYR  31   6.687  -2.508   5.101
  193    HD1  TYR  31           1HD      TYR  31   8.516  -0.782   4.261
  194    HD2  TYR  31           2HD      TYR  31   5.819  -0.087   7.530
  195    HE1  TYR  31           1HE      TYR  31  10.045   0.952   5.152
  196    HE2  TYR  31           2HE      TYR  31   7.350   1.647   8.424
  197    HH   TYR  31           HH       TYR  31  10.318   1.938   7.871
  198    H    ALA  32           H        ALA  32   7.105   0.223   2.479
  199    HA   ALA  32           HA       ALA  32   7.314  -1.706   0.295
  200   1HB   ALA  32          1HB       ALA  32   7.370   0.793   0.094
  201   2HB   ALA  32          2HB       ALA  32   8.770   0.018  -0.649
  202   3HB   ALA  32          3HB       ALA  32   8.923   0.790   0.931
  203    H    ARG  33           H        ARG  33   9.146  -2.978  -0.234
  204    HA   ARG  33           HA       ARG  33  11.338  -3.101   1.812
  205   1HB   ARG  33          2HB       ARG  33   9.350  -4.863   1.780
  206   2HB   ARG  33          1HB       ARG  33  10.287  -5.566   0.462
  207   1HG   ARG  33          2HG       ARG  33  12.262  -5.127   2.279
  208   2HG   ARG  33          1HG       ARG  33  10.904  -5.436   3.359
  209   1HD   ARG  33          2HD       ARG  33  11.528  -7.266   1.024
  210   2HD   ARG  33          1HD       ARG  33  12.240  -7.508   2.632
  211    HE   ARG  33           HE       ARG  33   9.272  -7.316   2.265
  212   1HH1  ARG  33          1HH2      ARG  33  10.222 -10.078   1.960
  213   2HH1  ARG  33          2HH2      ARG  33  10.213 -10.685   3.582
  214   1HH2  ARG  33          1HH1      ARG  33  10.067  -7.537   5.042
  215   2HH2  ARG  33          2HH1      ARG  33  10.124  -9.244   5.330
  216    HA   PRO  34           HA       PRO  34  12.863  -2.917  -2.626
  217   1HB   PRO  34          2HB       PRO  34  14.447  -0.706  -2.322
  218   2HB   PRO  34          1HB       PRO  34  12.737  -0.616  -2.793
  219   1HG   PRO  34          2HG       PRO  34  13.992  -0.171  -0.130
  220   2HG   PRO  34          1HG       PRO  34  12.659   0.696  -0.910
  221   1HD   PRO  34          2HD       PRO  34  12.286  -1.173   1.034
  222   2HD   PRO  34          1HD       PRO  34  11.092  -0.835  -0.238
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  -0.905  13.425   6.045
    2   2H    GLY   1          2HT       GLY   1  -2.465  14.089   5.935
    3   3H    GLY   1          3HT       GLY   1  -1.705  13.463   4.550
    4   1HA   GLY   1          2HA       GLY   1  -2.616  11.918   6.917
    5   2HA   GLY   1          1HA       GLY   1  -3.348  11.902   5.314
    6    H    CYS   2           H        CYS   2  -1.287  10.206   7.271
    7    HA   CYS   2           HA       CYS   2   0.415   9.210   5.024
    8   1HB   CYS   2          2HB       CYS   2   0.624   9.503   7.963
    9   2HB   CYS   2          1HB       CYS   2   1.308   8.010   7.323
   10    H    GLY   3           H        GLY   3  -0.815   7.654   3.956
   11   1HA   GLY   3          2HA       GLY   3  -2.447   5.734   5.485
   12   2HA   GLY   3          1HA       GLY   3  -2.332   5.828   3.727
   13    H    GLY   4           H        GLY   4  -2.017   3.486   5.581
   14   1HA   GLY   4          2HA       GLY   4  -0.083   1.998   4.240
   15   2HA   GLY   4          1HA       GLY   4   0.787   2.745   5.578
   16    H    LEU   5           H        LEU   5   0.922   0.225   5.935
   17    HA   LEU   5           HA       LEU   5   0.337  -1.635   7.260
   18   1HB   LEU   5          2HB       LEU   5  -0.984   0.677   8.719
   19   2HB   LEU   5          1HB       LEU   5  -0.817  -0.935   9.405
   20    HG   LEU   5           HG       LEU   5   1.074   0.116  10.264
   21   1HD1  LEU   5          1HD1      LEU   5   2.992  -0.783   9.157
   22   2HD1  LEU   5          2HD1      LEU   5   2.189  -0.751   7.587
   23   3HD1  LEU   5          3HD1      LEU   5   1.670  -1.901   8.821
   24   1HD2  LEU   5          1HD2      LEU   5   0.562   2.168   8.734
   25   2HD2  LEU   5          2HD2      LEU   5   1.755   1.452   7.653
   26   3HD2  LEU   5          3HD2      LEU   5   2.216   1.918   9.289
   27    H    MET   6           H        MET   6  -1.065  -2.224   5.286
   28    HA   MET   6           HA       MET   6  -3.054  -3.177   4.467
   29   1HB   MET   6          2HB       MET   6  -2.848  -3.794   7.106
   30   2HB   MET   6          1HB       MET   6  -4.388  -2.933   7.111
   31   1HG   MET   6          2HG       MET   6  -4.983  -4.422   5.070
   32   2HG   MET   6          1HG       MET   6  -3.638  -5.433   5.601
   33   1HE   MET   6          1HE       MET   6  -3.768  -5.960   8.822
   34   2HE   MET   6          2HE       MET   6  -3.385  -6.694   7.268
   35   3HE   MET   6          3HE       MET   6  -4.619  -7.418   8.296
   36    H    ALA   7           H        ALA   7  -2.768  -0.348   4.198
   37    HA   ALA   7           HA       ALA   7  -5.298   0.940   4.980
   38   1HB   ALA   7          1HB       ALA   7  -3.726   2.315   2.961
   39   2HB   ALA   7          2HB       ALA   7  -2.681   1.699   4.240
   40   3HB   ALA   7          3HB       ALA   7  -4.019   2.776   4.637
   41    H    GLY   8           H        GLY   8  -7.023  -0.047   3.886
   42   1HA   GLY   8          2HA       GLY   8  -7.006  -1.058   1.242
   43   2HA   GLY   8          1HA       GLY   8  -8.455  -0.530   2.093
   44    H    CYS   9           H        CYS   9  -6.379   0.144  -0.494
   45    HA   CYS   9           HA       CYS   9  -7.457   2.931  -0.750
   46   1HB   CYS   9          2HB       CYS   9  -5.444   3.286  -2.184
   47   2HB   CYS   9          1HB       CYS   9  -5.027   2.807  -0.543
   48    H    ASP  10           H        ASP  10  -6.864  -0.118  -2.474
   49    HA   ASP  10           HA       ASP  10  -7.866  -1.019  -4.405
   50   1HB   ASP  10          2HB       ASP  10  -9.811   0.200  -2.939
   51   2HB   ASP  10          1HB       ASP  10  -9.951   1.099  -4.449
   52    H    GLY  11           H        GLY  11  -5.826   0.033  -5.390
   53   1HA   GLY  11          2HA       GLY  11  -6.077   0.947  -7.906
   54   2HA   GLY  11          1HA       GLY  11  -6.345   2.443  -7.009
   55    H    LYS  12           H        LYS  12  -3.995   0.771  -8.565
   56    HA   LYS  12           HA       LYS  12  -1.744   0.908  -6.779
   57   1HB   LYS  12          2HB       LYS  12  -0.490   0.409  -8.754
   58   2HB   LYS  12          1HB       LYS  12  -2.054  -0.372  -8.978
   59   1HG   LYS  12          2HG       LYS  12  -2.533   2.121 -10.026
   60   2HG   LYS  12          1HG       LYS  12  -0.844   1.873 -10.463
   61   1HD   LYS  12          2HD       LYS  12  -1.759   0.774 -12.249
   62   2HD   LYS  12          1HD       LYS  12  -1.846  -0.563 -11.101
   63   1HE   LYS  12          2HE       LYS  12  -4.040  -0.374 -12.087
   64   2HE   LYS  12          1HE       LYS  12  -4.174   0.327 -10.464
   65   1HZ   LYS  12          1HZ       LYS  12  -3.452   1.957 -12.833
   66   2HZ   LYS  12          2HZ       LYS  12  -3.976   2.496 -11.309
   67   3HZ   LYS  12          3HZ       LYS  12  -5.064   1.726 -12.361
   68    H    SER  13           H        SER  13  -3.513   3.403  -8.361
   69    HA   SER  13           HA       SER  13  -1.205   5.292  -8.275
   70   1HB   SER  13          2HB       SER  13  -2.721   6.696  -9.645
   71   2HB   SER  13          1HB       SER  13  -2.535   5.091 -10.342
   72    HG   SER  13           HG       SER  13  -4.583   4.751 -10.017
   73    H    THR  14           H        THR  14  -2.876   4.270  -5.868
   74    HA   THR  14           HA       THR  14  -4.446   6.533  -4.933
   75    HB   THR  14           HB       THR  14  -4.691   4.115  -4.242
   76    HG1  THR  14           1HG      THR  14  -5.642   5.423  -2.831
   77   1HG2  THR  14          1HG2      THR  14  -1.906   4.453  -3.657
   78   2HG2  THR  14          2HG2      THR  14  -2.880   2.988  -3.541
   79   3HG2  THR  14          3HG2      THR  14  -2.747   4.069  -2.155
   80    H    PHE  15           H        PHE  15  -3.580   7.126  -2.402
   81    HA   PHE  15           HA       PHE  15  -0.750   8.071  -2.708
   82   1HB   PHE  15          2HB       PHE  15  -3.277   9.588  -2.047
   83   2HB   PHE  15          1HB       PHE  15  -1.695  10.205  -1.569
   84    HD1  PHE  15           1HD      PHE  15  -4.087  10.043  -4.201
   85    HD2  PHE  15           2HD      PHE  15   0.135  10.272  -3.446
   86    HE1  PHE  15           1HE      PHE  15  -3.721  10.892  -6.501
   87    HE2  PHE  15           2HE      PHE  15   0.500  11.122  -5.746
   88    HZ   PHE  15           HZ       PHE  15  -1.428  11.431  -7.274
   89    H    CYS  16           H        CYS  16   0.252   6.896  -1.112
   90    HA   CYS  16           HA       CYS  16  -1.084   6.541   1.530
   91   1HB   CYS  16          2HB       CYS  16   1.290   5.317   0.102
   92   2HB   CYS  16          1HB       CYS  16   0.948   4.977   1.797
   93    H    CYS  17           H        CYS  17   1.288   6.319   3.099
   94    HA   CYS  17           HA       CYS  17   1.802   9.085   3.742
   95   1HB   CYS  17          2HB       CYS  17   1.786   7.189   5.344
   96   2HB   CYS  17          1HB       CYS  17   3.222   6.531   4.566
   97    H    SER  18           H        SER  18   4.383   6.722   3.111
   98    HA   SER  18           HA       SER  18   5.521   8.230   0.881
   99   1HB   SER  18          2HB       SER  18   7.593   8.819   2.241
  100   2HB   SER  18          1HB       SER  18   6.146   9.730   2.658
  101    HG   SER  18           HG       SER  18   6.330   8.932   4.584
  102    H    GLY  19           H        GLY  19   6.283   5.977   3.538
  103   1HA   GLY  19          2HA       GLY  19   7.904   4.340   1.652
  104   2HA   GLY  19          1HA       GLY  19   7.982   4.233   3.412
  105    H    TYR  20           H        TYR  20   4.928   4.438   1.689
  106    HA   TYR  20           HA       TYR  20   4.409   1.543   2.284
  107   1HB   TYR  20          2HB       TYR  20   2.714   4.012   2.769
  108   2HB   TYR  20          1HB       TYR  20   2.062   2.376   2.840
  109    HD1  TYR  20           1HD      TYR  20   4.068   4.893   4.538
  110    HD2  TYR  20           2HD      TYR  20   2.951   0.746   4.527
  111    HE1  TYR  20           1HE      TYR  20   4.898   4.664   6.862
  112    HE2  TYR  20           2HE      TYR  20   3.783   0.516   6.851
  113    HH   TYR  20           HH       TYR  20   4.126   2.634   8.896
  114    H    ASN  21           H        ASN  21   3.782   0.475   0.441
  115    HA   ASN  21           HA       ASN  21   2.657   2.098  -1.824
  116   1HB   ASN  21          2HB       ASN  21   4.557  -0.222  -1.608
  117   2HB   ASN  21          1HB       ASN  21   3.618  -0.013  -3.087
  118   1HD2  ASN  21          1HD2      ASN  21   3.743   2.325  -4.039
  119   2HD2  ASN  21          2HD2      ASN  21   5.246   3.106  -3.939
  120    H    CYS  22           H        CYS  22   0.712   1.408  -2.712
  121    HA   CYS  22           HA       CYS  22  -0.890  -0.515  -1.222
  122   1HB   CYS  22          2HB       CYS  22  -1.189   1.422  -3.440
  123   2HB   CYS  22          1HB       CYS  22  -2.294   0.048  -3.492
  124    H    SER  23           H        SER  23  -1.050  -2.663  -1.606
  125    HA   SER  23           HA       SER  23   0.417  -3.880  -3.849
  126   1HB   SER  23          2HB       SER  23  -0.350  -4.530  -1.202
  127   2HB   SER  23          1HB       SER  23  -1.177  -5.685  -2.243
  128    HG   SER  23           HG       SER  23   1.521  -5.330  -1.736
  129    HA   PRO  24           HA       PRO  24  -3.237  -4.154  -6.361
  130   1HB   PRO  24          2HB       PRO  24  -2.248  -5.855  -8.262
  131   2HB   PRO  24          1HB       PRO  24  -1.816  -4.136  -8.185
  132   1HG   PRO  24          2HG       PRO  24  -0.279  -6.514  -7.285
  133   2HG   PRO  24          1HG       PRO  24   0.293  -5.018  -8.036
  134   1HD   PRO  24          2HD       PRO  24   0.473  -5.555  -5.355
  135   2HD   PRO  24          1HD       PRO  24   0.425  -3.918  -6.044
  136    H    THR  25           H        THR  25  -1.557  -6.981  -5.082
  137    HA   THR  25           HA       THR  25  -3.754  -8.846  -5.675
  138    HB   THR  25           HB       THR  25  -1.210  -9.045  -4.027
  139    HG1  THR  25           1HG      THR  25  -1.841  -9.947  -6.642
  140   1HG2  THR  25          1HG2      THR  25  -1.659 -11.568  -4.603
  141   2HG2  THR  25          2HG2      THR  25  -3.333 -11.036  -4.762
  142   3HG2  THR  25          3HG2      THR  25  -2.483 -10.827  -3.231
  143    H    TRP  26           H        TRP  26  -2.638  -6.905  -2.946
  144    HA   TRP  26           HA       TRP  26  -4.640  -8.180  -1.139
  145   1HB   TRP  26          2HB       TRP  26  -2.430  -6.162  -0.634
  146   2HB   TRP  26          1HB       TRP  26  -3.366  -7.003   0.598
  147    HD1  TRP  26           HD       TRP  26  -0.459  -7.432  -1.752
  148    HE1  TRP  26           1HE      TRP  26   0.624  -9.738  -1.384
  149    HE3  TRP  26           3HE      TRP  26  -3.944  -9.565   1.310
  150    HZ2  TRP  26           2HZ      TRP  26   0.088 -12.168   0.024
  151    HZ3  TRP  26           3HZ      TRP  26  -3.632 -11.875   2.149
  152    HH2  TRP  26           HH       TRP  26  -1.621 -13.178   1.511
  153    H    LYS  27           H        LYS  27  -4.180  -5.337  -3.058
  154    HA   LYS  27           HA       LYS  27  -5.601  -3.514  -3.465
  155   1HB   LYS  27          2HB       LYS  27  -7.201  -5.582  -2.665
  156   2HB   LYS  27          1HB       LYS  27  -7.617  -4.347  -1.477
  157   1HG   LYS  27          2HG       LYS  27  -9.065  -3.691  -3.130
  158   2HG   LYS  27          1HG       LYS  27  -7.640  -2.823  -3.699
  159   1HD   LYS  27          2HD       LYS  27  -7.107  -4.559  -5.273
  160   2HD   LYS  27          1HD       LYS  27  -8.316  -5.640  -4.577
  161   1HE   LYS  27          2HE       LYS  27 -10.115  -4.084  -5.282
  162   2HE   LYS  27          1HE       LYS  27  -8.895  -3.022  -6.011
  163   1HZ   LYS  27          1HZ       LYS  27  -8.164  -4.823  -7.411
  164   2HZ   LYS  27          2HZ       LYS  27  -9.836  -4.610  -7.621
  165   3HZ   LYS  27          3HZ       LYS  27  -9.254  -5.898  -6.678
  166    H    TRP  28           H        TRP  28  -3.891  -3.873  -0.688
  167    HA   TRP  28           HA       TRP  28  -4.878  -1.241   0.332
  168   1HB   TRP  28          2HB       TRP  28  -4.568  -2.061   2.633
  169   2HB   TRP  28          1HB       TRP  28  -5.730  -3.048   1.760
  170    HD1  TRP  28           HD       TRP  28  -1.852  -3.221   2.031
  171    HE1  TRP  28           1HE      TRP  28  -1.220  -5.642   2.646
  172    HE3  TRP  28           3HE      TRP  28  -6.501  -5.290   2.358
  173    HZ2  TRP  28           2HZ      TRP  28  -2.514  -8.124   3.213
  174    HZ3  TRP  28           3HZ      TRP  28  -6.777  -7.683   2.944
  175    HH2  TRP  28           HH       TRP  28  -4.789  -9.102   3.369
  176    H    CYS  29           H        CYS  29  -3.169  -0.198   1.808
  177    HA   CYS  29           HA       CYS  29  -0.583  -0.274   0.390
  178   1HB   CYS  29          2HB       CYS  29  -2.150   1.708   1.334
  179   2HB   CYS  29          1HB       CYS  29  -1.088   1.501   2.726
  180    H    VAL  30           H        VAL  30   1.341  -0.914   1.263
  181    HA   VAL  30           HA       VAL  30   1.482  -1.717   4.138
  182    HB   VAL  30           HB       VAL  30   2.759  -3.785   3.221
  183   1HG1  VAL  30          1HG1      VAL  30   0.420  -3.713   4.234
  184   2HG1  VAL  30          2HG1      VAL  30   0.753  -5.070   3.159
  185   3HG1  VAL  30          3HG1      VAL  30  -0.190  -3.698   2.581
  186   1HG2  VAL  30          1HG2      VAL  30   1.060  -3.382   0.770
  187   2HG2  VAL  30          2HG2      VAL  30   2.476  -4.412   0.985
  188   3HG2  VAL  30          3HG2      VAL  30   2.670  -2.665   0.840
  189    H    TYR  31           H        TYR  31   3.970  -2.368   4.527
  190    HA   TYR  31           HA       TYR  31   5.588  -0.080   4.147
  191   1HB   TYR  31          2HB       TYR  31   5.905  -2.912   4.963
  192   2HB   TYR  31          1HB       TYR  31   7.388  -2.129   4.416
  193    HD1  TYR  31           1HD      TYR  31   7.755   0.335   5.366
  194    HD2  TYR  31           2HD      TYR  31   5.288  -2.666   7.198
  195    HE1  TYR  31           1HE      TYR  31   7.934   1.516   7.539
  196    HE2  TYR  31           2HE      TYR  31   5.466  -1.486   9.371
  197    HH   TYR  31           HH       TYR  31   7.594   0.425  10.257
  198    H    ALA  32           H        ALA  32   7.279   0.394   2.662
  199    HA   ALA  32           HA       ALA  32   6.874  -0.471  -0.076
  200   1HB   ALA  32          1HB       ALA  32   8.882   1.003  -0.426
  201   2HB   ALA  32          2HB       ALA  32   9.042   1.129   1.326
  202   3HB   ALA  32          3HB       ALA  32   7.612   1.778   0.523
  203    H    ARG  33           H        ARG  33   8.732  -1.357  -1.415
  204    HA   ARG  33           HA       ARG  33  10.128  -3.542   0.088
  205   1HB   ARG  33          2HB       ARG  33   9.234  -3.188  -2.788
  206   2HB   ARG  33          1HB       ARG  33  10.197  -4.558  -2.241
  207   1HG   ARG  33          2HG       ARG  33   7.825  -4.020  -0.576
  208   2HG   ARG  33          1HG       ARG  33   7.450  -4.488  -2.235
  209   1HD   ARG  33          2HD       ARG  33   8.561  -6.571  -2.025
  210   2HD   ARG  33          1HD       ARG  33   9.444  -6.048  -0.577
  211    HE   ARG  33           HE       ARG  33   6.460  -6.328  -0.569
  212   1HH1  ARG  33          1HH2      ARG  33   8.050  -8.779   0.163
  213   2HH1  ARG  33          2HH2      ARG  33   8.155  -8.636   1.885
  214   1HH2  ARG  33          1HH1      ARG  33   7.252  -5.281   1.930
  215   2HH2  ARG  33          2HH1      ARG  33   7.703  -6.651   2.888
  216    HA   PRO  34           HA       PRO  34  13.964  -1.542  -0.853
  217   1HB   PRO  34          2HB       PRO  34  15.641  -3.681  -0.520
  218   2HB   PRO  34          1HB       PRO  34  14.892  -2.817   0.838
  219   1HG   PRO  34          2HG       PRO  34  14.123  -5.402  -0.416
  220   2HG   PRO  34          1HG       PRO  34  14.104  -4.923   1.288
  221   1HD   PRO  34          2HD       PRO  34  11.873  -5.016  -0.283
  222   2HD   PRO  34          1HD       PRO  34  12.045  -3.946   1.125
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  -4.492  12.601   4.710
    2   2H    GLY   1          2HT       GLY   1  -5.130  11.825   6.080
    3   3H    GLY   1          3HT       GLY   1  -5.957  13.133   5.380
    4   1HA   GLY   1          2HA       GLY   1  -6.787  10.760   4.909
    5   2HA   GLY   1          1HA       GLY   1  -6.684  11.913   3.579
    6    H    CYS   2           H        CYS   2  -4.360   9.784   5.294
    7    HA   CYS   2           HA       CYS   2  -3.473   8.767   2.611
    8   1HB   CYS   2          2HB       CYS   2  -1.200   8.887   3.422
    9   2HB   CYS   2          1HB       CYS   2  -1.956  10.441   3.768
   10    H    GLY   3           H        GLY   3  -2.055   6.652   3.062
   11   1HA   GLY   3          2HA       GLY   3  -3.228   5.062   5.289
   12   2HA   GLY   3          1HA       GLY   3  -3.398   4.452   3.644
   13    H    GLY   4           H        GLY   4  -1.783   3.578   6.144
   14   1HA   GLY   4          2HA       GLY   4   0.652   2.877   4.609
   15   2HA   GLY   4          1HA       GLY   4   0.888   3.719   6.139
   16    H    LEU   5           H        LEU   5   0.890   0.715   4.829
   17    HA   LEU   5           HA       LEU   5   0.957  -1.430   5.783
   18   1HB   LEU   5          2HB       LEU   5   1.811   0.300   7.707
   19   2HB   LEU   5          1HB       LEU   5   0.420  -0.417   8.520
   20    HG   LEU   5           HG       LEU   5   1.318  -2.678   8.021
   21   1HD1  LEU   5          1HD1      LEU   5   2.912  -2.934   6.453
   22   2HD1  LEU   5          2HD1      LEU   5   4.028  -1.972   7.422
   23   3HD1  LEU   5          3HD1      LEU   5   2.981  -1.186   6.240
   24   1HD2  LEU   5          1HD2      LEU   5   2.081  -2.274  10.123
   25   2HD2  LEU   5          2HD2      LEU   5   2.633  -0.652   9.707
   26   3HD2  LEU   5          3HD2      LEU   5   3.649  -2.048   9.350
   27    H    MET   6           H        MET   6  -0.917  -2.326   4.985
   28    HA   MET   6           HA       MET   6  -3.088  -3.229   5.009
   29   1HB   MET   6          2HB       MET   6  -2.041  -3.432   7.520
   30   2HB   MET   6          1HB       MET   6  -3.503  -2.504   7.856
   31   1HG   MET   6          2HG       MET   6  -4.130  -4.614   6.000
   32   2HG   MET   6          1HG       MET   6  -3.294  -5.298   7.393
   33   1HE   MET   6          1HE       MET   6  -6.043  -3.681   5.804
   34   2HE   MET   6          2HE       MET   6  -7.378  -3.533   6.944
   35   3HE   MET   6          3HE       MET   6  -6.891  -5.126   6.369
   36    H    ALA   7           H        ALA   7  -2.631  -0.232   4.612
   37    HA   ALA   7           HA       ALA   7  -5.136   0.955   5.677
   38   1HB   ALA   7          1HB       ALA   7  -3.630   2.556   3.784
   39   2HB   ALA   7          2HB       ALA   7  -2.553   1.835   4.980
   40   3HB   ALA   7          3HB       ALA   7  -3.904   2.842   5.502
   41    H    GLY   8           H        GLY   8  -6.968   1.259   4.415
   42   1HA   GLY   8          2HA       GLY   8  -7.374  -0.189   2.017
   43   2HA   GLY   8          1HA       GLY   8  -8.400   1.139   2.557
   44    H    CYS   9           H        CYS   9  -6.778   0.193  -0.046
   45    HA   CYS   9           HA       CYS   9  -5.909   2.964  -0.806
   46   1HB   CYS   9          2HB       CYS   9  -3.963   1.637  -0.760
   47   2HB   CYS   9          1HB       CYS   9  -4.815   0.205  -1.333
   48    H    ASP  10           H        ASP  10  -6.587  -0.047  -2.599
   49    HA   ASP  10           HA       ASP  10  -7.973  -0.469  -4.459
   50   1HB   ASP  10          2HB       ASP  10  -9.442   0.510  -2.390
   51   2HB   ASP  10          1HB       ASP  10  -9.827   1.704  -3.629
   52    H    GLY  11           H        GLY  11  -6.208   0.589  -5.806
   53   1HA   GLY  11          2HA       GLY  11  -7.113   2.189  -7.846
   54   2HA   GLY  11          1HA       GLY  11  -6.577   3.357  -6.637
   55    H    LYS  12           H        LYS  12  -5.552   1.764  -9.311
   56    HA   LYS  12           HA       LYS  12  -2.920   0.840  -8.651
   57   1HB   LYS  12          2HB       LYS  12  -4.379   1.796 -11.096
   58   2HB   LYS  12          1HB       LYS  12  -2.652   1.463 -11.198
   59   1HG   LYS  12          2HG       LYS  12  -3.345  -0.669 -11.629
   60   2HG   LYS  12          1HG       LYS  12  -3.500  -0.760  -9.875
   61   1HD   LYS  12          2HD       LYS  12  -5.573  -1.550 -10.835
   62   2HD   LYS  12          1HD       LYS  12  -5.884   0.031 -10.123
   63   1HE   LYS  12          2HE       LYS  12  -5.005   0.372 -12.859
   64   2HE   LYS  12          1HE       LYS  12  -6.379  -0.748 -12.799
   65   1HZ   LYS  12          1HZ       LYS  12  -7.579   0.807 -11.416
   66   2HZ   LYS  12          2HZ       LYS  12  -7.099   1.589 -12.846
   67   3HZ   LYS  12          3HZ       LYS  12  -6.260   1.874 -11.398
   68    H    SER  13           H        SER  13  -4.229   4.054  -8.950
   69    HA   SER  13           HA       SER  13  -1.470   5.228  -9.060
   70   1HB   SER  13          2HB       SER  13  -3.339   5.722 -10.785
   71   2HB   SER  13          1HB       SER  13  -4.106   6.644  -9.495
   72    HG   SER  13           HG       SER  13  -2.671   7.873 -10.873
   73    H    THR  14           H        THR  14  -3.155   4.161  -6.651
   74    HA   THR  14           HA       THR  14  -3.689   6.583  -5.069
   75    HB   THR  14           HB       THR  14  -3.762   3.592  -4.593
   76    HG1  THR  14           1HG      THR  14  -5.870   3.872  -4.819
   77   1HG2  THR  14          1HG2      THR  14  -4.026   5.863  -2.647
   78   2HG2  THR  14          2HG2      THR  14  -3.244   4.297  -2.432
   79   3HG2  THR  14          3HG2      THR  14  -5.004   4.413  -2.424
   80    H    PHE  15           H        PHE  15  -2.274   7.493  -3.611
   81    HA   PHE  15           HA       PHE  15   0.423   6.234  -3.312
   82   1HB   PHE  15          2HB       PHE  15  -0.502   8.805  -3.960
   83   2HB   PHE  15          1HB       PHE  15   0.075   8.947  -2.300
   84    HD1  PHE  15           1HD      PHE  15   2.404   8.811  -1.771
   85    HD2  PHE  15           2HD      PHE  15   1.027   7.923  -5.742
   86    HE1  PHE  15           1HE      PHE  15   4.746   8.819  -2.585
   87    HE2  PHE  15           2HE      PHE  15   3.370   7.931  -6.556
   88    HZ   PHE  15           HZ       PHE  15   5.229   8.379  -4.977
   89    H    CYS  16           H        CYS  16   1.200   5.732  -1.254
   90    HA   CYS  16           HA       CYS  16  -0.748   5.565   0.936
   91   1HB   CYS  16          2HB       CYS  16   2.201   4.873   0.689
   92   2HB   CYS  16          1HB       CYS  16   1.172   4.414   2.045
   93    H    CYS  17           H        CYS  17   0.827   6.059   3.190
   94    HA   CYS  17           HA       CYS  17   0.815   8.989   3.261
   95   1HB   CYS  17          2HB       CYS  17   0.185   7.037   5.021
   96   2HB   CYS  17          1HB       CYS  17   1.839   7.363   5.535
   97    H    SER  18           H        SER  18   3.320   6.833   4.619
   98    HA   SER  18           HA       SER  18   5.430   8.196   3.042
   99   1HB   SER  18          2HB       SER  18   4.877   8.526   5.976
  100   2HB   SER  18          1HB       SER  18   6.542   8.598   5.408
  101    HG   SER  18           HG       SER  18   4.426  10.343   5.011
  102    H    GLY  19           H        GLY  19   6.653   6.484   2.353
  103   1HA   GLY  19          2HA       GLY  19   8.105   4.626   2.549
  104   2HA   GLY  19          1HA       GLY  19   7.792   4.608   4.284
  105    H    TYR  20           H        TYR  20   5.219   4.559   1.876
  106    HA   TYR  20           HA       TYR  20   4.737   1.656   2.433
  107   1HB   TYR  20          2HB       TYR  20   2.873   4.025   2.762
  108   2HB   TYR  20          1HB       TYR  20   2.285   2.365   2.683
  109    HD1  TYR  20           1HD      TYR  20   3.574   0.668   4.304
  110    HD2  TYR  20           2HD      TYR  20   3.360   4.919   4.857
  111    HE1  TYR  20           1HE      TYR  20   4.072   0.377   6.712
  112    HE2  TYR  20           2HE      TYR  20   3.859   4.628   7.269
  113    HH   TYR  20           HH       TYR  20   3.471   2.024   8.924
  114    H    ASN  21           H        ASN  21   3.352   0.649   0.775
  115    HA   ASN  21           HA       ASN  21   2.955   2.245  -1.723
  116   1HB   ASN  21          2HB       ASN  21   5.141   1.021  -1.746
  117   2HB   ASN  21          1HB       ASN  21   4.260  -0.491  -1.526
  118   1HD2  ASN  21          1HD2      ASN  21   4.601   2.276  -3.796
  119   2HD2  ASN  21          2HD2      ASN  21   4.090   1.410  -5.164
  120    H    CYS  22           H        CYS  22   1.042   1.712  -2.782
  121    HA   CYS  22           HA       CYS  22  -0.916   0.069  -1.440
  122   1HB   CYS  22          2HB       CYS  22  -1.472   2.032  -2.784
  123   2HB   CYS  22          1HB       CYS  22  -0.784   1.274  -4.219
  124    H    SER  23           H        SER  23  -1.198  -2.107  -1.602
  125    HA   SER  23           HA       SER  23   0.379  -3.681  -3.537
  126   1HB   SER  23          2HB       SER  23  -0.331  -4.012  -0.933
  127   2HB   SER  23          1HB       SER  23  -1.616  -4.931  -1.714
  128    HG   SER  23           HG       SER  23  -0.111  -6.242  -2.637
  129    HA   PRO  24           HA       PRO  24  -3.110  -3.863  -6.300
  130   1HB   PRO  24          2HB       PRO  24  -2.066  -5.686  -8.052
  131   2HB   PRO  24          1HB       PRO  24  -1.576  -3.980  -8.021
  132   1HG   PRO  24          2HG       PRO  24  -0.192  -6.368  -6.915
  133   2HG   PRO  24          1HG       PRO  24   0.484  -4.928  -7.691
  134   1HD   PRO  24          2HD       PRO  24   0.466  -5.348  -4.984
  135   2HD   PRO  24          1HD       PRO  24   0.523  -3.742  -5.744
  136    H    THR  25           H        THR  25  -1.672  -6.689  -4.755
  137    HA   THR  25           HA       THR  25  -3.860  -8.502  -5.490
  138    HB   THR  25           HB       THR  25  -1.585  -8.736  -3.494
  139    HG1  THR  25           1HG      THR  25  -1.821  -9.547  -6.204
  140   1HG2  THR  25          1HG2      THR  25  -2.467 -10.729  -2.956
  141   2HG2  THR  25          2HG2      THR  25  -2.361 -11.226  -4.643
  142   3HG2  THR  25          3HG2      THR  25  -3.820 -10.435  -4.048
  143    H    TRP  26           H        TRP  26  -2.871  -6.669  -2.605
  144    HA   TRP  26           HA       TRP  26  -5.249  -7.671  -1.116
  145   1HB   TRP  26          2HB       TRP  26  -2.906  -5.926  -0.302
  146   2HB   TRP  26          1HB       TRP  26  -4.113  -6.601   0.789
  147    HD1  TRP  26           HD       TRP  26  -1.094  -7.562  -1.316
  148    HE1  TRP  26           1HE      TRP  26  -0.338  -9.937  -0.664
  149    HE3  TRP  26           3HE      TRP  26  -4.949  -8.904   1.751
  150    HZ2  TRP  26           2HZ      TRP  26  -1.247 -12.119   0.946
  151    HZ3  TRP  26           3HZ      TRP  26  -4.978 -11.135   2.830
  152    HH2  TRP  26           HH       TRP  26  -3.134 -12.743   2.432
  153    H    LYS  27           H        LYS  27  -4.375  -5.004  -3.060
  154    HA   LYS  27           HA       LYS  27  -5.417  -2.957  -3.520
  155   1HB   LYS  27          2HB       LYS  27  -7.602  -4.429  -2.017
  156   2HB   LYS  27          1HB       LYS  27  -7.862  -2.913  -2.876
  157   1HG   LYS  27          2HG       LYS  27  -6.569  -5.222  -4.304
  158   2HG   LYS  27          1HG       LYS  27  -8.322  -5.189  -4.107
  159   1HD   LYS  27          2HD       LYS  27  -6.926  -2.733  -5.121
  160   2HD   LYS  27          1HD       LYS  27  -7.210  -4.075  -6.229
  161   1HE   LYS  27          2HE       LYS  27  -9.507  -3.171  -4.527
  162   2HE   LYS  27          1HE       LYS  27  -9.050  -2.170  -5.918
  163   1HZ   LYS  27          1HZ       LYS  27 -10.547  -3.810  -6.719
  164   2HZ   LYS  27          2HZ       LYS  27  -9.727  -5.062  -5.914
  165   3HZ   LYS  27          3HZ       LYS  27  -9.003  -4.280  -7.239
  166    H    TRP  28           H        TRP  28  -3.769  -3.130  -1.044
  167    HA   TRP  28           HA       TRP  28  -4.939  -0.753   0.309
  168   1HB   TRP  28          2HB       TRP  28  -4.550  -1.761   2.527
  169   2HB   TRP  28          1HB       TRP  28  -5.698  -2.693   1.587
  170    HD1  TRP  28           HD       TRP  28  -2.032  -3.212   0.727
  171    HE1  TRP  28           1HE      TRP  28  -1.287  -5.515   1.592
  172    HE3  TRP  28           3HE      TRP  28  -6.109  -4.462   3.502
  173    HZ2  TRP  28           2HZ      TRP  28  -2.283  -7.615   3.255
  174    HZ3  TRP  28           3HZ      TRP  28  -6.193  -6.619   4.725
  175    HH2  TRP  28           HH       TRP  28  -4.285  -8.197   4.601
  176    H    CYS  29           H        CYS  29  -3.190   0.132   1.960
  177    HA   CYS  29           HA       CYS  29  -0.651   0.339   0.454
  178   1HB   CYS  29          2HB       CYS  29  -2.138   1.820   2.569
  179   2HB   CYS  29          1HB       CYS  29  -0.381   1.964   2.608
  180    H    VAL  30           H        VAL  30   1.243  -0.645   1.115
  181    HA   VAL  30           HA       VAL  30   1.339  -1.857   3.859
  182    HB   VAL  30           HB       VAL  30   2.516  -3.794   2.726
  183   1HG1  VAL  30          1HG1      VAL  30   0.519  -4.884   2.372
  184   2HG1  VAL  30          2HG1      VAL  30  -0.163  -3.551   1.440
  185   3HG1  VAL  30          3HG1      VAL  30  -0.086  -3.450   3.200
  186   1HG2  VAL  30          1HG2      VAL  30   3.020  -2.356   0.641
  187   2HG2  VAL  30          2HG2      VAL  30   1.352  -2.678   0.167
  188   3HG2  VAL  30          3HG2      VAL  30   2.487  -4.013   0.359
  189    H    TYR  31           H        TYR  31   3.716  -2.544   4.339
  190    HA   TYR  31           HA       TYR  31   5.418  -0.249   4.249
  191   1HB   TYR  31          2HB       TYR  31   5.326  -2.379   5.777
  192   2HB   TYR  31          1HB       TYR  31   6.403  -3.081   4.569
  193    HD1  TYR  31           1HD      TYR  31   8.642  -2.140   4.172
  194    HD2  TYR  31           2HD      TYR  31   6.053  -0.561   7.214
  195    HE1  TYR  31           1HE      TYR  31  10.560  -0.934   5.179
  196    HE2  TYR  31           2HE      TYR  31   7.971   0.646   8.220
  197    HH   TYR  31           HH       TYR  31  10.530   1.460   6.891
  198    H    ALA  32           H        ALA  32   6.711   0.483   2.611
  199    HA   ALA  32           HA       ALA  32   6.871  -0.844   0.050
  200   1HB   ALA  32          1HB       ALA  32   8.750   1.025  -0.136
  201   2HB   ALA  32          2HB       ALA  32   8.061   1.558   1.397
  202   3HB   ALA  32          3HB       ALA  32   7.049   1.477  -0.045
  203    H    ARG  33           H        ARG  33   8.578  -2.034  -0.852
  204    HA   ARG  33           HA       ARG  33  10.284  -3.559   0.883
  205   1HB   ARG  33          2HB       ARG  33  10.063  -3.047  -2.080
  206   2HB   ARG  33          1HB       ARG  33  11.372  -4.045  -1.449
  207   1HG   ARG  33          2HG       ARG  33   8.829  -4.786  -0.251
  208   2HG   ARG  33          1HG       ARG  33   8.754  -4.884  -2.010
  209   1HD   ARG  33          2HD       ARG  33   9.645  -6.983  -1.563
  210   2HD   ARG  33          1HD       ARG  33  11.155  -6.056  -1.641
  211    HE   ARG  33           HE       ARG  33  10.613  -5.702   0.944
  212   1HH1  ARG  33          1HH1      ARG  33  12.191  -8.150  -0.181
  213   2HH1  ARG  33          2HH1      ARG  33  11.481  -9.420   0.760
  214   1HH2  ARG  33          1HH2      ARG  33   8.794  -7.490   1.822
  215   2HH2  ARG  33          2HH2      ARG  33   9.553  -9.045   1.896
  216    HA   PRO  34           HA       PRO  34  13.722  -0.847   1.348
  217   1HB   PRO  34          2HB       PRO  34  15.731  -2.672   1.708
  218   2HB   PRO  34          1HB       PRO  34  14.510  -2.318   2.946
  219   1HG   PRO  34          2HG       PRO  34  14.691  -4.613   1.068
  220   2HG   PRO  34          1HG       PRO  34  14.137  -4.568   2.747
  221   1HD   PRO  34          2HD       PRO  34  12.467  -4.660   0.574
  222   2HD   PRO  34          1HD       PRO  34  12.008  -4.004   2.159
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  -4.932  12.223   2.602
    2   2H    GLY   1          2HT       GLY   1  -3.592  12.809   3.468
    3   3H    GLY   1          3HT       GLY   1  -5.166  13.261   3.923
    4   1HA   GLY   1          2HA       GLY   1  -4.705  11.653   5.481
    5   2HA   GLY   1          1HA       GLY   1  -5.541  10.736   4.228
    6    H    CYS   2           H        CYS   2  -3.267  10.100   6.226
    7    HA   CYS   2           HA       CYS   2  -1.121   9.264   4.335
    8   1HB   CYS   2          2HB       CYS   2  -1.372  10.034   7.124
    9   2HB   CYS   2          1HB       CYS   2  -0.545   8.483   6.987
   10    H    GLY   3           H        GLY   3  -1.702   7.346   3.322
   11   1HA   GLY   3          2HA       GLY   3  -3.021   5.221   4.937
   12   2HA   GLY   3          1HA       GLY   3  -2.933   5.259   3.177
   13    H    GLY   4           H        GLY   4  -1.593   3.869   5.929
   14   1HA   GLY   4          2HA       GLY   4   0.588   2.689   4.307
   15   2HA   GLY   4          1HA       GLY   4   1.056   3.511   5.795
   16    H    LEU   5           H        LEU   5   1.114   0.594   4.960
   17    HA   LEU   5           HA       LEU   5   0.862  -1.482   6.035
   18   1HB   LEU   5          2HB       LEU   5   1.140   0.530   7.983
   19   2HB   LEU   5          1HB       LEU   5  -0.198  -0.467   8.548
   20    HG   LEU   5           HG       LEU   5   1.955  -1.325   9.392
   21   1HD1  LEU   5          1HD1      LEU   5   1.245  -3.351   7.327
   22   2HD1  LEU   5          2HD1      LEU   5  -0.059  -2.801   8.380
   23   3HD1  LEU   5          3HD1      LEU   5   1.389  -3.528   9.076
   24   1HD2  LEU   5          1HD2      LEU   5   3.785  -1.718   8.062
   25   2HD2  LEU   5          2HD2      LEU   5   3.019  -0.500   7.042
   26   3HD2  LEU   5          3HD2      LEU   5   2.805  -2.213   6.683
   27    H    MET   6           H        MET   6  -0.901  -2.205   4.756
   28    HA   MET   6           HA       MET   6  -3.078  -3.002   4.366
   29   1HB   MET   6          2HB       MET   6  -2.597  -2.925   7.258
   30   2HB   MET   6          1HB       MET   6  -4.311  -2.846   6.855
   31   1HG   MET   6          2HG       MET   6  -4.327  -4.940   5.894
   32   2HG   MET   6          1HG       MET   6  -2.642  -4.833   5.382
   33   1HE   MET   6          1HE       MET   6  -2.459  -7.228   5.980
   34   2HE   MET   6          2HE       MET   6  -3.995  -7.471   6.808
   35   3HE   MET   6          3HE       MET   6  -2.491  -7.929   7.603
   36    H    ALA   7           H        ALA   7  -2.548  -0.089   4.112
   37    HA   ALA   7           HA       ALA   7  -5.039   1.214   5.050
   38   1HB   ALA   7          1HB       ALA   7  -3.293   2.718   5.182
   39   2HB   ALA   7          2HB       ALA   7  -3.780   3.051   3.520
   40   3HB   ALA   7          3HB       ALA   7  -2.419   1.975   3.842
   41    H    GLY   8           H        GLY   8  -6.838   1.432   3.745
   42   1HA   GLY   8          2HA       GLY   8  -7.231   0.010   1.367
   43   2HA   GLY   8          1HA       GLY   8  -8.183   1.422   1.815
   44    H    CYS   9           H        CYS   9  -6.191   0.204  -0.539
   45    HA   CYS   9           HA       CYS   9  -5.095   2.855  -1.349
   46   1HB   CYS   9          2HB       CYS   9  -3.351   1.406  -1.616
   47   2HB   CYS   9          1HB       CYS   9  -4.409   0.001  -1.662
   48    H    ASP  10           H        ASP  10  -6.672   0.071  -2.953
   49    HA   ASP  10           HA       ASP  10  -8.111  -0.007  -4.831
   50   1HB   ASP  10          2HB       ASP  10  -9.065   2.313  -3.136
   51   2HB   ASP  10          1HB       ASP  10  -9.990   1.711  -4.511
   52    H    GLY  11           H        GLY  11  -6.238   0.663  -6.286
   53   1HA   GLY  11          2HA       GLY  11  -6.731   2.216  -8.380
   54   2HA   GLY  11          1HA       GLY  11  -6.356   3.478  -7.207
   55    H    LYS  12           H        LYS  12  -4.979   1.965  -9.675
   56    HA   LYS  12           HA       LYS  12  -2.465   0.968  -8.725
   57   1HB   LYS  12          2HB       LYS  12  -1.810   1.207 -11.067
   58   2HB   LYS  12          1HB       LYS  12  -3.479   0.649 -10.993
   59   1HG   LYS  12          2HG       LYS  12  -3.443   3.531 -10.945
   60   2HG   LYS  12          1HG       LYS  12  -2.487   2.960 -12.311
   61   1HD   LYS  12          2HD       LYS  12  -4.336   1.619 -13.125
   62   2HD   LYS  12          1HD       LYS  12  -5.285   1.978 -11.683
   63   1HE   LYS  12          2HE       LYS  12  -4.292   4.177 -13.519
   64   2HE   LYS  12          1HE       LYS  12  -5.857   3.374 -13.762
   65   1HZ   LYS  12          1HZ       LYS  12  -6.312   3.833 -11.359
   66   2HZ   LYS  12          2HZ       LYS  12  -6.238   5.222 -12.335
   67   3HZ   LYS  12          3HZ       LYS  12  -4.929   4.815 -11.334
   68    H    SER  13           H        SER  13  -3.688   4.200  -8.904
   69    HA   SER  13           HA       SER  13  -0.926   5.293  -8.472
   70   1HB   SER  13          2HB       SER  13  -1.857   7.362  -9.524
   71   2HB   SER  13          1HB       SER  13  -1.917   5.977 -10.608
   72    HG   SER  13           HG       SER  13  -3.964   7.368  -9.338
   73    H    THR  14           H        THR  14  -2.648   4.230  -6.395
   74    HA   THR  14           HA       THR  14  -4.199   6.220  -5.044
   75    HB   THR  14           HB       THR  14  -4.242   3.763  -4.666
   76    HG1  THR  14           1HG      THR  14  -3.535   4.533  -2.158
   77   1HG2  THR  14          1HG2      THR  14  -2.087   2.932  -4.693
   78   2HG2  THR  14          2HG2      THR  14  -2.327   3.055  -2.951
   79   3HG2  THR  14          3HG2      THR  14  -1.428   4.307  -3.808
   80    H    PHE  15           H        PHE  15  -3.620   7.432  -3.095
   81    HA   PHE  15           HA       PHE  15  -0.746   8.278  -3.084
   82   1HB   PHE  15          2HB       PHE  15  -3.319   9.602  -3.047
   83   2HB   PHE  15          1HB       PHE  15  -2.395  10.062  -1.619
   84    HD1  PHE  15           1HD      PHE  15  -1.566   9.323  -5.216
   85    HD2  PHE  15           2HD      PHE  15  -1.196  12.031  -1.901
   86    HE1  PHE  15           1HE      PHE  15  -0.158  10.824  -6.598
   87    HE2  PHE  15           2HE      PHE  15   0.211  13.531  -3.284
   88    HZ   PHE  15           HZ       PHE  15   0.731  12.928  -5.632
   89    H    CYS  16           H        CYS  16   0.079   6.713  -1.623
   90    HA   CYS  16           HA       CYS  16  -1.211   6.144   0.940
   91   1HB   CYS  16          2HB       CYS  16   1.537   5.546  -0.212
   92   2HB   CYS  16          1HB       CYS  16   0.890   4.822   1.259
   93    H    CYS  17           H        CYS  17   0.990   6.183   2.710
   94    HA   CYS  17           HA       CYS  17   1.161   9.083   3.279
   95   1HB   CYS  17          2HB       CYS  17   0.481   7.356   4.966
   96   2HB   CYS  17          1HB       CYS  17   2.101   6.671   4.864
   97    H    SER  18           H        SER  18   3.708   6.733   4.042
   98    HA   SER  18           HA       SER  18   5.563   7.900   2.067
   99   1HB   SER  18          2HB       SER  18   7.098   8.652   3.909
  100   2HB   SER  18          1HB       SER  18   5.580   9.541   3.867
  101    HG   SER  18           HG       SER  18   6.513   8.446   5.936
  102    H    GLY  19           H        GLY  19   6.407   6.002   1.284
  103   1HA   GLY  19          2HA       GLY  19   7.906   4.152   1.392
  104   2HA   GLY  19          1HA       GLY  19   7.822   4.213   3.151
  105    H    TYR  20           H        TYR  20   5.104   4.014   0.844
  106    HA   TYR  20           HA       TYR  20   4.501   1.272   1.900
  107   1HB   TYR  20          2HB       TYR  20   2.675   3.678   1.592
  108   2HB   TYR  20          1HB       TYR  20   2.087   2.047   1.912
  109    HD1  TYR  20           1HD      TYR  20   3.443   0.819   3.914
  110    HD2  TYR  20           2HD      TYR  20   2.974   5.057   3.433
  111    HE1  TYR  20           1HE      TYR  20   3.876   1.138   6.333
  112    HE2  TYR  20           2HE      TYR  20   3.406   5.380   5.853
  113    HH   TYR  20           HH       TYR  20   3.081   3.340   8.065
  114    H    ASN  21           H        ASN  21   3.201  -0.027   0.400
  115    HA   ASN  21           HA       ASN  21   3.036   1.036  -2.396
  116   1HB   ASN  21          2HB       ASN  21   5.099  -0.452  -1.662
  117   2HB   ASN  21          1HB       ASN  21   3.942  -1.773  -1.832
  118   1HD2  ASN  21          1HD2      ASN  21   2.854  -1.976  -4.011
  119   2HD2  ASN  21          2HD2      ASN  21   3.672  -1.420  -5.391
  120    H    CYS  22           H        CYS  22   1.105   0.528  -3.362
  121    HA   CYS  22           HA       CYS  22  -1.027  -0.770  -1.933
  122   1HB   CYS  22          2HB       CYS  22  -1.235   0.967  -3.718
  123   2HB   CYS  22          1HB       CYS  22  -0.677  -0.214  -4.900
  124    H    SER  23           H        SER  23  -1.408  -2.940  -1.721
  125    HA   SER  23           HA       SER  23   0.282  -4.921  -3.031
  126   1HB   SER  23          2HB       SER  23  -2.149  -5.038  -1.228
  127   2HB   SER  23          1HB       SER  23  -1.261  -6.469  -1.742
  128    HG   SER  23           HG       SER  23  -0.534  -4.416   0.002
  129    HA   PRO  24           HA       PRO  24  -2.349  -5.484  -6.557
  130   1HB   PRO  24          2HB       PRO  24  -1.252  -7.819  -7.467
  131   2HB   PRO  24          1HB       PRO  24  -0.471  -6.239  -7.667
  132   1HG   PRO  24          2HG       PRO  24   0.094  -8.392  -5.697
  133   2HG   PRO  24          1HG       PRO  24   1.211  -7.304  -6.533
  134   1HD   PRO  24          2HD       PRO  24   0.413  -6.978  -3.935
  135   2HD   PRO  24          1HD       PRO  24   0.963  -5.651  -4.982
  136    H    THR  25           H        THR  25  -1.982  -7.885  -4.015
  137    HA   THR  25           HA       THR  25  -4.387  -9.374  -4.957
  138    HB   THR  25           HB       THR  25  -2.274  -9.887  -2.842
  139    HG1  THR  25           1HG      THR  25  -1.337 -10.415  -4.665
  140   1HG2  THR  25          1HG2      THR  25  -3.979 -11.130  -1.939
  141   2HG2  THR  25          2HG2      THR  25  -3.441 -12.281  -3.160
  142   3HG2  THR  25          3HG2      THR  25  -4.841 -11.256  -3.472
  143    H    TRP  26           H        TRP  26  -3.164  -7.572  -2.138
  144    HA   TRP  26           HA       TRP  26  -5.725  -7.870  -0.696
  145   1HB   TRP  26          2HB       TRP  26  -3.204  -6.301  -0.078
  146   2HB   TRP  26          1HB       TRP  26  -4.513  -6.645   1.050
  147    HD1  TRP  26           HD       TRP  26  -1.471  -8.187  -0.558
  148    HE1  TRP  26           1HE      TRP  26  -1.088 -10.542   0.415
  149    HE3  TRP  26           3HE      TRP  26  -5.803  -8.770   2.070
  150    HZ2  TRP  26           2HZ      TRP  26  -2.437 -12.424   2.095
  151    HZ3  TRP  26           3HZ      TRP  26  -6.234 -10.851   3.344
  152    HH2  TRP  26           HH       TRP  26  -4.557 -12.678   3.361
  153    H    LYS  27           H        LYS  27  -4.234  -5.569  -2.835
  154    HA   LYS  27           HA       LYS  27  -5.064  -3.576  -3.756
  155   1HB   LYS  27          2HB       LYS  27  -7.211  -5.127  -3.274
  156   2HB   LYS  27          1HB       LYS  27  -7.593  -3.779  -2.202
  157   1HG   LYS  27          2HG       LYS  27  -6.757  -2.471  -4.469
  158   2HG   LYS  27          1HG       LYS  27  -7.567  -3.886  -5.145
  159   1HD   LYS  27          2HD       LYS  27  -8.950  -2.482  -2.912
  160   2HD   LYS  27          1HD       LYS  27  -8.905  -1.655  -4.468
  161   1HE   LYS  27          2HE       LYS  27 -10.702  -2.937  -5.031
  162   2HE   LYS  27          1HE       LYS  27  -9.559  -4.290  -5.141
  163   1HZ   LYS  27          1HZ       LYS  27 -10.996  -3.397  -2.693
  164   2HZ   LYS  27          2HZ       LYS  27  -9.824  -4.628  -2.737
  165   3HZ   LYS  27          3HZ       LYS  27 -11.297  -4.821  -3.564
  166    H    TRP  28           H        TRP  28  -3.987  -3.801  -0.731
  167    HA   TRP  28           HA       TRP  28  -4.786  -0.988  -0.071
  168   1HB   TRP  28          2HB       TRP  28  -4.488  -1.623   2.320
  169   2HB   TRP  28          1HB       TRP  28  -5.778  -2.508   1.527
  170    HD1  TRP  28           HD       TRP  28  -2.038  -3.471   1.255
  171    HE1  TRP  28           1HE      TRP  28  -1.741  -5.794   2.322
  172    HE3  TRP  28           3HE      TRP  28  -6.729  -4.194   3.132
  173    HZ2  TRP  28           2HZ      TRP  28  -3.275  -7.702   3.789
  174    HZ3  TRP  28           3HZ      TRP  28  -7.282  -6.271   4.365
  175    HH2  TRP  28           HH       TRP  28  -5.563  -8.025   4.694
  176    H    CYS  29           H        CYS  29  -3.056   0.168   1.257
  177    HA   CYS  29           HA       CYS  29  -0.445  -0.282  -0.044
  178   1HB   CYS  29          2HB       CYS  29  -1.885   1.922   0.505
  179   2HB   CYS  29          1HB       CYS  29  -0.913   1.864   1.976
  180    H    VAL  30           H        VAL  30   1.150  -1.412   0.927
  181    HA   VAL  30           HA       VAL  30   1.140  -1.678   3.919
  182    HB   VAL  30           HB       VAL  30   2.267  -3.892   3.431
  183   1HG1  VAL  30          1HG1      VAL  30   0.026  -4.759   2.194
  184   2HG1  VAL  30          2HG1      VAL  30  -0.523  -3.168   2.721
  185   3HG1  VAL  30          3HG1      VAL  30   0.076  -4.331   3.903
  186   1HG2  VAL  30          1HG2      VAL  30   2.369  -4.751   1.219
  187   2HG2  VAL  30          2HG2      VAL  30   2.962  -3.097   1.074
  188   3HG2  VAL  30          3HG2      VAL  30   1.311  -3.487   0.590
  189    H    TYR  31           H        TYR  31   3.464  -2.186   4.734
  190    HA   TYR  31           HA       TYR  31   5.236  -0.067   4.148
  191   1HB   TYR  31          2HB       TYR  31   5.392  -1.387   6.173
  192   2HB   TYR  31          1HB       TYR  31   5.699  -2.858   5.249
  193    HD1  TYR  31           1HD      TYR  31   7.905  -3.482   4.693
  194    HD2  TYR  31           2HD      TYR  31   7.089   0.553   5.927
  195    HE1  TYR  31           1HE      TYR  31  10.336  -2.997   4.714
  196    HE2  TYR  31           2HE      TYR  31   9.522   1.035   5.949
  197    HH   TYR  31           HH       TYR  31  11.787  -0.952   6.198
  198    H    ALA  32           H        ALA  32   6.504   0.322   2.393
  199    HA   ALA  32           HA       ALA  32   6.791  -1.674   0.265
  200   1HB   ALA  32          1HB       ALA  32   8.099   0.271  -0.752
  201   2HB   ALA  32          2HB       ALA  32   7.745   1.166   0.727
  202   3HB   ALA  32          3HB       ALA  32   6.428   0.631  -0.318
  203    H    ARG  33           H        ARG  33   8.444  -3.140   0.205
  204    HA   ARG  33           HA       ARG  33  10.596  -3.167   2.130
  205   1HB   ARG  33          2HB       ARG  33   9.553  -5.145   1.030
  206   2HB   ARG  33          1HB       ARG  33  10.251  -4.635  -0.507
  207   1HG   ARG  33          2HG       ARG  33  12.482  -4.614   1.016
  208   2HG   ARG  33          1HG       ARG  33  11.568  -5.866   1.859
  209   1HD   ARG  33          2HD       ARG  33  11.183  -6.528  -0.811
  210   2HD   ARG  33          1HD       ARG  33  12.869  -5.978  -0.770
  211    HE   ARG  33           HE       ARG  33  13.375  -7.891   0.512
  212   1HH1  ARG  33          1HH2      ARG  33  10.335  -8.513  -0.396
  213   2HH1  ARG  33          2HH2      ARG  33   9.792  -9.254   1.073
  214   1HH2  ARG  33          1HH1      ARG  33  12.552  -8.237   2.921
  215   2HH2  ARG  33          2HH1      ARG  33  11.049  -9.098   2.953
  216    HA   PRO  34           HA       PRO  34  13.283  -0.386  -0.073
  217   1HB   PRO  34          2HB       PRO  34  15.517  -0.782   1.460
  218   2HB   PRO  34          1HB       PRO  34  14.143   0.212   1.987
  219   1HG   PRO  34          2HG       PRO  34  14.855  -2.579   2.730
  220   2HG   PRO  34          1HG       PRO  34  14.173  -1.282   3.725
  221   1HD   PRO  34          2HD       PRO  34  12.699  -3.341   2.698
  222   2HD   PRO  34          1HD       PRO  34  12.028  -1.741   3.083
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  -5.917  11.679   5.014
    2   2H    GLY   1          2HT       GLY   1  -5.477  13.041   5.927
    3   3H    GLY   1          3HT       GLY   1  -4.607  11.591   6.089
    4   1HA   GLY   1          2HA       GLY   1  -4.730  13.275   3.644
    5   2HA   GLY   1          1HA       GLY   1  -3.368  13.184   4.761
    6    H    CYS   2           H        CYS   2  -2.566  10.853   5.155
    7    HA   CYS   2           HA       CYS   2  -2.612   9.344   2.557
    8   1HB   CYS   2          2HB       CYS   2  -0.272   8.769   3.109
    9   2HB   CYS   2          1HB       CYS   2  -0.491  10.517   3.084
   10    H    GLY   3           H        GLY   3  -1.731   6.957   3.075
   11   1HA   GLY   3          2HA       GLY   3  -2.981   5.972   5.602
   12   2HA   GLY   3          1HA       GLY   3  -3.402   5.221   4.064
   13    H    GLY   4           H        GLY   4  -2.064   3.991   6.393
   14   1HA   GLY   4          2HA       GLY   4   0.199   2.794   4.925
   15   2HA   GLY   4          1HA       GLY   4   0.610   3.585   6.446
   16    H    LEU   5           H        LEU   5   0.719   0.695   5.707
   17    HA   LEU   5           HA       LEU   5   0.329  -1.363   6.787
   18   1HB   LEU   5          2HB       LEU   5   0.250   0.721   8.718
   19   2HB   LEU   5          1HB       LEU   5  -1.073  -0.374   9.113
   20    HG   LEU   5           HG       LEU   5   0.996  -1.075  10.245
   21   1HD1  LEU   5          1HD1      LEU   5  -0.658  -2.777   9.391
   22   2HD1  LEU   5          2HD1      LEU   5   0.986  -3.396   9.551
   23   3HD1  LEU   5          3HD1      LEU   5   0.357  -2.966   7.961
   24   1HD2  LEU   5          1HD2      LEU   5   2.242  -1.781   7.614
   25   2HD2  LEU   5          2HD2      LEU   5   3.015  -1.423   9.157
   26   3HD2  LEU   5          3HD2      LEU   5   2.362  -0.113   8.173
   27    H    MET   6           H        MET   6  -1.241  -2.118   5.281
   28    HA   MET   6           HA       MET   6  -3.350  -2.874   4.567
   29   1HB   MET   6          2HB       MET   6  -3.237  -2.904   7.474
   30   2HB   MET   6          1HB       MET   6  -4.891  -2.658   6.914
   31   1HG   MET   6          2HG       MET   6  -5.035  -4.742   6.018
   32   2HG   MET   6          1HG       MET   6  -3.375  -4.708   5.425
   33   1HE   MET   6          1HE       MET   6  -4.575  -7.370   6.623
   34   2HE   MET   6          2HE       MET   6  -3.121  -7.875   7.479
   35   3HE   MET   6          3HE       MET   6  -2.981  -7.063   5.922
   36    H    ALA   7           H        ALA   7  -2.793  -0.118   4.151
   37    HA   ALA   7           HA       ALA   7  -5.196   1.428   4.930
   38   1HB   ALA   7          1HB       ALA   7  -2.660   2.132   4.647
   39   2HB   ALA   7          2HB       ALA   7  -3.941   3.255   4.191
   40   3HB   ALA   7          3HB       ALA   7  -3.113   2.313   2.952
   41    H    GLY   8           H        GLY   8  -7.044   1.052   3.755
   42   1HA   GLY   8          2HA       GLY   8  -7.267  -0.266   1.288
   43   2HA   GLY   8          1HA       GLY   8  -8.467   0.875   1.895
   44    H    CYS   9           H        CYS   9  -6.226   0.314  -0.555
   45    HA   CYS   9           HA       CYS   9  -5.813   3.182  -1.213
   46   1HB   CYS   9          2HB       CYS   9  -4.776   0.526  -2.222
   47   2HB   CYS   9          1HB       CYS   9  -4.443   2.029  -3.082
   48    H    ASP  10           H        ASP  10  -7.013   0.225  -2.807
   49    HA   ASP  10           HA       ASP  10  -8.647  -0.100  -4.472
   50   1HB   ASP  10          2HB       ASP  10  -9.569   1.776  -2.591
   51   2HB   ASP  10          1HB       ASP  10  -9.960   2.482  -4.158
   52    H    GLY  11           H        GLY  11  -6.304   0.674  -5.569
   53   1HA   GLY  11          2HA       GLY  11  -6.871   1.691  -8.085
   54   2HA   GLY  11          1HA       GLY  11  -6.487   3.120  -7.123
   55    H    LYS  12           H        LYS  12  -5.094   1.136  -9.243
   56    HA   LYS  12           HA       LYS  12  -2.638   0.285  -8.026
   57   1HB   LYS  12          2HB       LYS  12  -1.893   0.142 -10.401
   58   2HB   LYS  12          1HB       LYS  12  -3.492  -0.559 -10.162
   59   1HG   LYS  12          2HG       LYS  12  -3.853   2.218 -10.710
   60   2HG   LYS  12          1HG       LYS  12  -2.735   1.581 -11.916
   61   1HD   LYS  12          2HD       LYS  12  -4.286   0.050 -12.744
   62   2HD   LYS  12          1HD       LYS  12  -5.207   0.017 -11.240
   63   1HE   LYS  12          2HE       LYS  12  -5.054   2.599 -12.777
   64   2HE   LYS  12          1HE       LYS  12  -6.172   1.332 -13.321
   65   1HZ   LYS  12          1HZ       LYS  12  -7.293   2.674 -11.702
   66   2HZ   LYS  12          2HZ       LYS  12  -6.010   2.521 -10.600
   67   3HZ   LYS  12          3HZ       LYS  12  -6.964   1.169 -10.992
   68    H    SER  13           H        SER  13  -3.746   3.453  -8.895
   69    HA   SER  13           HA       SER  13  -0.948   4.521  -8.869
   70   1HB   SER  13          2HB       SER  13  -3.509   5.207 -10.201
   71   2HB   SER  13          1HB       SER  13  -2.559   6.583  -9.650
   72    HG   SER  13           HG       SER  13  -1.107   6.153 -11.119
   73    H    THR  14           H        THR  14  -2.544   3.717  -6.452
   74    HA   THR  14           HA       THR  14  -3.244   6.294  -5.167
   75    HB   THR  14           HB       THR  14  -3.344   3.371  -4.335
   76    HG1  THR  14           1HG      THR  14  -5.417   3.541  -4.839
   77   1HG2  THR  14          1HG2      THR  14  -4.004   5.894  -2.819
   78   2HG2  THR  14          2HG2      THR  14  -3.041   4.517  -2.288
   79   3HG2  THR  14          3HG2      THR  14  -4.790   4.362  -2.442
   80    H    PHE  15           H        PHE  15  -2.019   7.227  -3.502
   81    HA   PHE  15           HA       PHE  15   0.738   6.130  -3.117
   82   1HB   PHE  15          2HB       PHE  15  -0.563   8.789  -3.248
   83   2HB   PHE  15          1HB       PHE  15   0.710   8.645  -2.037
   84    HD1  PHE  15           1HD      PHE  15   2.724   9.500  -2.830
   85    HD2  PHE  15           2HD      PHE  15   0.230   7.225  -5.489
   86    HE1  PHE  15           1HE      PHE  15   4.441   9.695  -4.608
   87    HE2  PHE  15           2HE      PHE  15   1.949   7.418  -7.265
   88    HZ   PHE  15           HZ       PHE  15   4.053   8.652  -6.826
   89    H    CYS  16           H        CYS  16   1.618   6.695  -0.805
   90    HA   CYS  16           HA       CYS  16  -0.500   6.219   1.269
   91   1HB   CYS  16          2HB       CYS  16   2.143   4.796   0.818
   92   2HB   CYS  16          1HB       CYS  16   1.161   4.593   2.270
   93    H    CYS  17           H        CYS  17   1.172   6.148   3.498
   94    HA   CYS  17           HA       CYS  17   1.830   8.963   3.843
   95   1HB   CYS  17          2HB       CYS  17   2.169   6.470   5.537
   96   2HB   CYS  17          1HB       CYS  17   2.541   8.091   6.120
   97    H    SER  18           H        SER  18   4.050   6.471   5.003
   98    HA   SER  18           HA       SER  18   6.179   7.347   3.124
   99   1HB   SER  18          2HB       SER  18   5.922   8.808   5.285
  100   2HB   SER  18          1HB       SER  18   6.651   7.427   6.101
  101    HG   SER  18           HG       SER  18   8.497   7.827   5.135
  102    H    GLY  19           H        GLY  19   7.062   5.442   2.444
  103   1HA   GLY  19          2HA       GLY  19   8.252   3.401   2.665
  104   2HA   GLY  19          1HA       GLY  19   7.949   3.444   4.402
  105    H    TYR  20           H        TYR  20   5.296   3.836   2.137
  106    HA   TYR  20           HA       TYR  20   4.437   1.009   2.653
  107   1HB   TYR  20          2HB       TYR  20   2.794   3.556   2.874
  108   2HB   TYR  20          1HB       TYR  20   2.153   1.924   3.049
  109    HD1  TYR  20           1HD      TYR  20   3.255   4.682   4.845
  110    HD2  TYR  20           2HD      TYR  20   3.663   0.407   4.746
  111    HE1  TYR  20           1HE      TYR  20   3.902   4.689   7.237
  112    HE2  TYR  20           2HE      TYR  20   4.310   0.413   7.139
  113    HH   TYR  20           HH       TYR  20   3.707   2.613   9.199
  114    H    ASN  21           H        ASN  21   3.151   0.105   0.952
  115    HA   ASN  21           HA       ASN  21   2.756   1.798  -1.481
  116   1HB   ASN  21          2HB       ASN  21   3.899   0.184  -2.836
  117   2HB   ASN  21          1HB       ASN  21   4.940   0.464  -1.441
  118   1HD2  ASN  21          1HD2      ASN  21   3.118  -1.941  -3.162
  119   2HD2  ASN  21          2HD2      ASN  21   3.397  -3.226  -2.088
  120    H    CYS  22           H        CYS  22   0.873   1.294  -2.604
  121    HA   CYS  22           HA       CYS  22  -1.117  -0.382  -1.309
  122   1HB   CYS  22          2HB       CYS  22  -1.018   0.987  -4.018
  123   2HB   CYS  22          1HB       CYS  22  -2.473   0.327  -3.273
  124    H    SER  23           H        SER  23  -1.831  -2.434  -1.941
  125    HA   SER  23           HA       SER  23  -0.077  -3.888  -3.870
  126   1HB   SER  23          2HB       SER  23  -1.607  -4.505  -1.395
  127   2HB   SER  23          1HB       SER  23  -1.526  -5.791  -2.596
  128    HG   SER  23           HG       SER  23   0.501  -4.580  -1.102
  129    HA   PRO  24           HA       PRO  24  -3.467  -4.092  -6.695
  130   1HB   PRO  24          2HB       PRO  24  -2.536  -6.109  -8.291
  131   2HB   PRO  24          1HB       PRO  24  -1.888  -4.458  -8.339
  132   1HG   PRO  24          2HG       PRO  24  -0.769  -6.893  -7.068
  133   2HG   PRO  24          1HG       PRO  24   0.062  -5.544  -7.855
  134   1HD   PRO  24          2HD       PRO  24  -0.149  -5.880  -5.129
  135   2HD   PRO  24          1HD       PRO  24   0.157  -4.328  -5.936
  136    H    THR  25           H        THR  25  -2.299  -7.051  -5.117
  137    HA   THR  25           HA       THR  25  -4.749  -8.560  -5.722
  138    HB   THR  25           HB       THR  25  -2.372  -9.119  -3.917
  139    HG1  THR  25           1HG      THR  25  -1.418  -9.809  -5.667
  140   1HG2  THR  25          1HG2      THR  25  -3.095 -11.497  -4.194
  141   2HG2  THR  25          2HG2      THR  25  -4.547 -10.925  -5.015
  142   3HG2  THR  25          3HG2      THR  25  -4.276 -10.521  -3.321
  143    H    TRP  26           H        TRP  26  -3.295  -6.977  -2.885
  144    HA   TRP  26           HA       TRP  26  -5.570  -7.737  -1.156
  145   1HB   TRP  26          2HB       TRP  26  -3.219  -5.902  -0.608
  146   2HB   TRP  26          1HB       TRP  26  -4.232  -6.717   0.577
  147    HD1  TRP  26           HD       TRP  26  -4.216  -9.545  -1.116
  148    HE1  TRP  26           1HE      TRP  26  -2.110 -11.017  -0.920
  149    HE3  TRP  26           3HE      TRP  26  -0.855  -6.058   0.496
  150    HZ2  TRP  26           2HZ      TRP  26   0.640 -10.749  -0.175
  151    HZ3  TRP  26           3HZ      TRP  26   1.498  -6.691   0.942
  152    HH2  TRP  26           HH       TRP  26   2.250  -9.029   0.609
  153    H    LYS  27           H        LYS  27  -4.551  -5.006  -3.082
  154    HA   LYS  27           HA       LYS  27  -5.692  -3.028  -3.637
  155   1HB   LYS  27          2HB       LYS  27  -7.650  -4.763  -3.109
  156   2HB   LYS  27          1HB       LYS  27  -7.908  -3.682  -1.739
  157   1HG   LYS  27          2HG       LYS  27  -9.198  -2.573  -3.286
  158   2HG   LYS  27          1HG       LYS  27  -7.645  -1.830  -3.665
  159   1HD   LYS  27          2HD       LYS  27  -7.790  -2.636  -5.758
  160   2HD   LYS  27          1HD       LYS  27  -7.768  -4.276  -5.111
  161   1HE   LYS  27          2HE       LYS  27 -10.372  -2.844  -4.907
  162   2HE   LYS  27          1HE       LYS  27  -9.860  -3.315  -6.538
  163   1HZ   LYS  27          1HZ       LYS  27  -9.460  -5.550  -5.765
  164   2HZ   LYS  27          2HZ       LYS  27 -11.056  -5.112  -5.387
  165   3HZ   LYS  27          3HZ       LYS  27  -9.866  -5.120  -4.174
  166    H    TRP  28           H        TRP  28  -4.429  -3.724  -0.618
  167    HA   TRP  28           HA       TRP  28  -5.024  -0.944   0.325
  168   1HB   TRP  28          2HB       TRP  28  -4.823  -1.813   2.617
  169   2HB   TRP  28          1HB       TRP  28  -6.063  -2.683   1.728
  170    HD1  TRP  28           HD       TRP  28  -2.216  -3.234   2.005
  171    HE1  TRP  28           1HE      TRP  28  -1.829  -5.709   2.613
  172    HE3  TRP  28           3HE      TRP  28  -7.048  -4.827   2.360
  173    HZ2  TRP  28           2HZ      TRP  28  -3.358  -8.050   3.181
  174    HZ3  TRP  28           3HZ      TRP  28  -7.558  -7.183   2.938
  175    HH2  TRP  28           HH       TRP  28  -5.719  -8.795   3.349
  176    H    CYS  29           H        CYS  29  -3.214  -0.123   1.828
  177    HA   CYS  29           HA       CYS  29  -0.651  -0.459   0.408
  178   1HB   CYS  29          2HB       CYS  29  -1.844   1.711   1.191
  179   2HB   CYS  29          1HB       CYS  29  -1.219   1.303   2.787
  180    H    VAL  30           H        VAL  30   1.219  -1.282   1.317
  181    HA   VAL  30           HA       VAL  30   1.138  -2.270   4.143
  182    HB   VAL  30           HB       VAL  30   2.230  -4.375   3.254
  183   1HG1  VAL  30          1HG1      VAL  30   0.189  -5.404   2.776
  184   2HG1  VAL  30          2HG1      VAL  30  -0.419  -4.008   1.886
  185   3HG1  VAL  30          3HG1      VAL  30  -0.321  -3.956   3.647
  186   1HG2  VAL  30          1HG2      VAL  30   1.243  -3.448   0.548
  187   2HG2  VAL  30          2HG2      VAL  30   2.273  -4.831   0.917
  188   3HG2  VAL  30          3HG2      VAL  30   2.908  -3.193   1.068
  189    H    TYR  31           H        TYR  31   3.549  -3.101   4.642
  190    HA   TYR  31           HA       TYR  31   5.307  -0.855   4.432
  191   1HB   TYR  31          2HB       TYR  31   5.269  -2.804   6.100
  192   2HB   TYR  31          1HB       TYR  31   6.102  -3.748   4.865
  193    HD1  TYR  31           1HD      TYR  31   6.411  -0.167   5.961
  194    HD2  TYR  31           2HD      TYR  31   8.357  -3.963   5.444
  195    HE1  TYR  31           1HE      TYR  31   8.570   0.848   6.632
  196    HE2  TYR  31           2HE      TYR  31  10.516  -2.946   6.117
  197    HH   TYR  31           HH       TYR  31  11.027  -0.607   7.721
  198    H    ALA  32           H        ALA  32   6.325  -0.160   2.604
  199    HA   ALA  32           HA       ALA  32   6.515  -1.740   0.188
  200   1HB   ALA  32          1HB       ALA  32   6.800   0.950   1.045
  201   2HB   ALA  32          2HB       ALA  32   6.797   0.351  -0.613
  202   3HB   ALA  32          3HB       ALA  32   8.319   0.511   0.262
  203    H    ARG  33           H        ARG  33   8.337  -2.738  -0.728
  204    HA   ARG  33           HA       ARG  33  10.829  -2.856   0.932
  205   1HB   ARG  33          2HB       ARG  33   8.868  -4.933   0.249
  206   2HB   ARG  33          1HB       ARG  33  10.515  -5.388  -0.181
  207   1HG   ARG  33          2HG       ARG  33  10.179  -4.124   2.484
  208   2HG   ARG  33          1HG       ARG  33   9.483  -5.734   2.303
  209   1HD   ARG  33          2HD       ARG  33  11.624  -6.406   2.824
  210   2HD   ARG  33          1HD       ARG  33  11.910  -6.107   1.099
  211    HE   ARG  33           HE       ARG  33  12.759  -3.874   1.687
  212   1HH1  ARG  33          1HH1      ARG  33  11.258  -3.715   4.345
  213   2HH1  ARG  33          2HH1      ARG  33  12.565  -3.861   5.474
  214   1HH2  ARG  33          1HH2      ARG  33  14.815  -5.064   3.114
  215   2HH2  ARG  33          2HH2      ARG  33  14.584  -4.627   4.774
  216    HA   PRO  34           HA       PRO  34  11.536  -2.142  -3.648
  217   1HB   PRO  34          2HB       PRO  34  12.886   0.229  -3.411
  218   2HB   PRO  34          1HB       PRO  34  11.122   0.131  -3.577
  219   1HG   PRO  34          2HG       PRO  34  12.772   0.576  -1.146
  220   2HG   PRO  34          1HG       PRO  34  11.210   1.275  -1.596
  221   1HD   PRO  34          2HD       PRO  34  11.510  -0.767   0.204
  222   2HD   PRO  34          1HD       PRO  34  10.032  -0.481  -0.740
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  -5.844  12.178   5.408
    2   2H    GLY   1          2HT       GLY   1  -5.530  13.110   6.794
    3   3H    GLY   1          3HT       GLY   1  -5.129  11.459   6.768
    4   1HA   GLY   1          2HA       GLY   1  -3.877  13.620   5.161
    5   2HA   GLY   1          1HA       GLY   1  -3.130  12.725   6.484
    6    H    CYS   2           H        CYS   2  -2.764  10.396   6.156
    7    HA   CYS   2           HA       CYS   2  -2.838   9.491   3.308
    8   1HB   CYS   2          2HB       CYS   2  -0.463   8.855   3.494
    9   2HB   CYS   2          1HB       CYS   2  -0.660  10.579   3.803
   10    H    GLY   3           H        GLY   3  -2.019   7.061   3.298
   11   1HA   GLY   3          2HA       GLY   3  -3.044   5.668   5.741
   12   2HA   GLY   3          1HA       GLY   3  -3.525   5.152   4.125
   13    H    GLY   4           H        GLY   4  -1.834   3.893   6.392
   14   1HA   GLY   4          2HA       GLY   4   0.206   2.765   4.567
   15   2HA   GLY   4          1HA       GLY   4   0.809   3.532   6.035
   16    H    LEU   5           H        LEU   5   0.971   0.688   5.283
   17    HA   LEU   5           HA       LEU   5   0.776  -1.412   6.334
   18   1HB   LEU   5          2HB       LEU   5   0.906   0.611   8.301
   19   2HB   LEU   5          1HB       LEU   5  -0.372  -0.478   8.833
   20    HG   LEU   5           HG       LEU   5   1.772  -1.238   9.725
   21   1HD1  LEU   5          1HD1      LEU   5   0.879  -3.286   9.447
   22   2HD1  LEU   5          2HD1      LEU   5   1.765  -3.404   7.928
   23   3HD1  LEU   5          3HD1      LEU   5   0.109  -2.800   7.937
   24   1HD2  LEU   5          1HD2      LEU   5   3.133  -0.171   7.880
   25   2HD2  LEU   5          2HD2      LEU   5   2.679  -1.525   6.846
   26   3HD2  LEU   5          3HD2      LEU   5   3.636  -1.809   8.299
   27    H    MET   6           H        MET   6  -0.936  -2.205   5.016
   28    HA   MET   6           HA       MET   6  -3.088  -3.036   4.549
   29   1HB   MET   6          2HB       MET   6  -2.584  -3.161   7.387
   30   2HB   MET   6          1HB       MET   6  -4.297  -2.839   7.118
   31   1HG   MET   6          2HG       MET   6  -4.036  -4.736   5.288
   32   2HG   MET   6          1HG       MET   6  -2.662  -5.208   6.288
   33   1HE   MET   6          1HE       MET   6  -6.054  -4.119   5.981
   34   2HE   MET   6          2HE       MET   6  -6.819  -4.289   7.558
   35   3HE   MET   6          3HE       MET   6  -6.887  -5.621   6.407
   36    H    ALA   7           H        ALA   7  -2.666  -0.252   4.121
   37    HA   ALA   7           HA       ALA   7  -5.005   1.198   5.210
   38   1HB   ALA   7          1HB       ALA   7  -3.322   2.305   3.019
   39   2HB   ALA   7          2HB       ALA   7  -2.482   1.908   4.518
   40   3HB   ALA   7          3HB       ALA   7  -3.824   3.051   4.537
   41    H    GLY   8           H        GLY   8  -6.975   1.110   4.193
   42   1HA   GLY   8          2HA       GLY   8  -7.450  -0.253   1.735
   43   2HA   GLY   8          1HA       GLY   8  -8.585   0.857   2.504
   44    H    CYS   9           H        CYS   9  -6.527   0.421  -0.155
   45    HA   CYS   9           HA       CYS   9  -6.572   3.354  -0.779
   46   1HB   CYS   9          2HB       CYS   9  -4.649   2.706  -2.311
   47   2HB   CYS   9          1HB       CYS   9  -4.329   2.514  -0.590
   48    H    ASP  10           H        ASP  10  -7.056   0.113  -2.176
   49    HA   ASP  10           HA       ASP  10  -8.293  -0.598  -4.049
   50   1HB   ASP  10          2HB       ASP  10  -9.847   0.981  -2.552
   51   2HB   ASP  10          1HB       ASP  10  -9.781   2.001  -3.989
   52    H    GLY  11           H        GLY  11  -6.080  -0.027  -5.136
   53   1HA   GLY  11          2HA       GLY  11  -6.075   0.653  -7.670
   54   2HA   GLY  11          1HA       GLY  11  -6.323   2.271  -7.003
   55    H    LYS  12           H        LYS  12  -3.958   0.137  -8.016
   56    HA   LYS  12           HA       LYS  12  -1.845   0.456  -6.146
   57   1HB   LYS  12          2HB       LYS  12  -0.454  -0.270  -7.965
   58   2HB   LYS  12          1HB       LYS  12  -2.018  -1.047  -8.198
   59   1HG   LYS  12          2HG       LYS  12  -2.398   1.284  -9.567
   60   2HG   LYS  12          1HG       LYS  12  -0.675   1.021  -9.832
   61   1HD   LYS  12          2HD       LYS  12  -1.304  -0.382 -11.492
   62   2HD   LYS  12          1HD       LYS  12  -1.742  -1.506 -10.206
   63   1HE   LYS  12          2HE       LYS  12  -3.653  -1.222 -11.726
   64   2HE   LYS  12          1HE       LYS  12  -4.043  -0.470 -10.168
   65   1HZ   LYS  12          1HZ       LYS  12  -2.664   1.125 -12.218
   66   2HZ   LYS  12          2HZ       LYS  12  -3.720   1.632 -10.987
   67   3HZ   LYS  12          3HZ       LYS  12  -4.332   0.871 -12.376
   68    H    SER  13           H        SER  13  -3.267   2.768  -8.320
   69    HA   SER  13           HA       SER  13  -0.975   4.587  -8.437
   70   1HB   SER  13          2HB       SER  13  -2.775   4.383 -10.162
   71   2HB   SER  13          1HB       SER  13  -3.930   5.014  -8.992
   72    HG   SER  13           HG       SER  13  -1.745   6.287 -10.238
   73    H    THR  14           H        THR  14  -3.573   3.988  -6.182
   74    HA   THR  14           HA       THR  14  -3.929   6.517  -4.963
   75    HB   THR  14           HB       THR  14  -3.922   3.697  -3.825
   76    HG1  THR  14           1HG      THR  14  -5.870   3.606  -4.612
   77   1HG2  THR  14          1HG2      THR  14  -3.865   4.999  -1.890
   78   2HG2  THR  14          2HG2      THR  14  -5.598   4.898  -2.196
   79   3HG2  THR  14          3HG2      THR  14  -4.706   6.349  -2.651
   80    H    PHE  15           H        PHE  15  -2.622   7.746  -3.649
   81    HA   PHE  15           HA       PHE  15   0.139   6.853  -3.139
   82   1HB   PHE  15          2HB       PHE  15  -1.474   9.361  -3.042
   83   2HB   PHE  15          1HB       PHE  15  -0.049   9.295  -2.007
   84    HD1  PHE  15           1HD      PHE  15   2.073   9.735  -2.905
   85    HD2  PHE  15           2HD      PHE  15  -1.147   8.647  -5.533
   86    HE1  PHE  15           1HE      PHE  15   3.519  10.192  -4.865
   87    HE2  PHE  15           2HE      PHE  15   0.302   9.102  -7.493
   88    HZ   PHE  15           HZ       PHE  15   2.635   9.874  -7.160
   89    H    CYS  16           H        CYS  16   1.077   6.742  -1.017
   90    HA   CYS  16           HA       CYS  16  -0.907   6.320   1.201
   91   1HB   CYS  16          2HB       CYS  16   1.699   4.963   0.451
   92   2HB   CYS  16          1HB       CYS  16   0.879   4.680   1.986
   93    H    CYS  17           H        CYS  17   1.017   6.104   3.272
   94    HA   CYS  17           HA       CYS  17   1.557   8.893   3.847
   95   1HB   CYS  17          2HB       CYS  17   2.285   6.254   5.144
   96   2HB   CYS  17          1HB       CYS  17   2.695   7.811   5.862
   97    H    SER  18           H        SER  18   4.037   6.395   4.232
   98    HA   SER  18           HA       SER  18   5.828   7.589   2.223
   99   1HB   SER  18          2HB       SER  18   7.520   8.065   4.118
  100   2HB   SER  18          1HB       SER  18   6.172   9.185   3.958
  101    HG   SER  18           HG       SER  18   6.744   7.318   5.932
  102    H    GLY  19           H        GLY  19   6.669   5.742   1.344
  103   1HA   GLY  19          2HA       GLY  19   8.130   3.837   1.401
  104   2HA   GLY  19          1HA       GLY  19   7.883   3.726   3.142
  105    H    TYR  20           H        TYR  20   4.833   4.165   2.010
  106    HA   TYR  20           HA       TYR  20   4.339   1.214   1.850
  107   1HB   TYR  20          2HB       TYR  20   2.555   3.551   2.617
  108   2HB   TYR  20          1HB       TYR  20   2.075   1.856   2.652
  109    HD1  TYR  20           1HD      TYR  20   3.587   0.249   4.058
  110    HD2  TYR  20           2HD      TYR  20   3.526   4.516   4.520
  111    HE1  TYR  20           1HE      TYR  20   4.558   0.016   6.325
  112    HE2  TYR  20           2HE      TYR  20   4.498   4.286   6.789
  113    HH   TYR  20           HH       TYR  20   4.414   1.826   8.579
  114    H    ASN  21           H        ASN  21   3.129   0.405   0.096
  115    HA   ASN  21           HA       ASN  21   2.213   2.386  -1.962
  116   1HB   ASN  21          2HB       ASN  21   4.077   0.044  -2.142
  117   2HB   ASN  21          1HB       ASN  21   3.058   0.413  -3.535
  118   1HD2  ASN  21          1HD2      ASN  21   3.050   2.997  -3.979
  119   2HD2  ASN  21          2HD2      ASN  21   4.590   3.709  -3.973
  120    H    CYS  22           H        CYS  22   0.184   1.948  -2.766
  121    HA   CYS  22           HA       CYS  22  -1.560   0.072  -1.533
  122   1HB   CYS  22          2HB       CYS  22  -2.265   2.101  -2.725
  123   2HB   CYS  22          1HB       CYS  22  -1.683   1.427  -4.247
  124    H    SER  23           H        SER  23  -2.151  -2.021  -2.050
  125    HA   SER  23           HA       SER  23  -0.555  -3.401  -4.164
  126   1HB   SER  23          2HB       SER  23  -0.767  -3.947  -1.555
  127   2HB   SER  23          1HB       SER  23  -2.204  -4.808  -2.097
  128    HG   SER  23           HG       SER  23   0.486  -5.312  -2.561
  129    HA   PRO  24           HA       PRO  24  -4.396  -3.609  -6.425
  130   1HB   PRO  24          2HB       PRO  24  -3.458  -5.115  -8.505
  131   2HB   PRO  24          1HB       PRO  24  -3.122  -3.380  -8.337
  132   1HG   PRO  24          2HG       PRO  24  -1.387  -5.712  -7.712
  133   2HG   PRO  24          1HG       PRO  24  -0.961  -4.141  -8.408
  134   1HD   PRO  24          2HD       PRO  24  -0.540  -4.821  -5.790
  135   2HD   PRO  24          1HD       PRO  24  -0.750  -3.152  -6.362
  136    H    THR  25           H        THR  25  -2.545  -6.343  -5.260
  137    HA   THR  25           HA       THR  25  -4.622  -8.325  -5.956
  138    HB   THR  25           HB       THR  25  -2.113  -8.590  -4.273
  139    HG1  THR  25           1HG      THR  25  -2.504  -8.805  -7.074
  140   1HG2  THR  25          1HG2      THR  25  -3.318 -10.713  -6.022
  141   2HG2  THR  25          2HG2      THR  25  -3.994 -10.418  -4.420
  142   3HG2  THR  25          3HG2      THR  25  -2.304 -10.894  -4.592
  143    H    TRP  26           H        TRP  26  -3.422  -6.611  -3.089
  144    HA   TRP  26           HA       TRP  26  -5.425  -8.022  -1.383
  145   1HB   TRP  26          2HB       TRP  26  -3.097  -6.190  -0.730
  146   2HB   TRP  26          1HB       TRP  26  -4.078  -7.059   0.447
  147    HD1  TRP  26           HD       TRP  26  -1.257  -7.518  -2.015
  148    HE1  TRP  26           1HE      TRP  26  -0.334  -9.917  -1.829
  149    HE3  TRP  26           3HE      TRP  26  -4.798  -9.595   1.023
  150    HZ2  TRP  26           2HZ      TRP  26  -1.008 -12.391  -0.561
  151    HZ3  TRP  26           3HZ      TRP  26  -4.633 -11.971   1.704
  152    HH2  TRP  26           HH       TRP  26  -2.744 -13.371   0.918
  153    H    LYS  27           H        LYS  27  -5.048  -5.089  -3.093
  154    HA   LYS  27           HA       LYS  27  -6.428  -3.199  -3.239
  155   1HB   LYS  27          2HB       LYS  27  -8.019  -5.243  -2.359
  156   2HB   LYS  27          1HB       LYS  27  -8.239  -4.058  -1.071
  157   1HG   LYS  27          2HG       LYS  27  -9.909  -3.589  -2.736
  158   2HG   LYS  27          1HG       LYS  27  -8.682  -2.330  -2.874
  159   1HD   LYS  27          2HD       LYS  27  -7.800  -3.218  -4.850
  160   2HD   LYS  27          1HD       LYS  27  -8.442  -4.829  -4.531
  161   1HE   LYS  27          2HE       LYS  27 -10.348  -2.531  -4.942
  162   2HE   LYS  27          1HE       LYS  27  -9.628  -3.345  -6.342
  163   1HZ   LYS  27          1HZ       LYS  27 -10.278  -5.488  -5.213
  164   2HZ   LYS  27          2HZ       LYS  27 -11.566  -4.561  -5.821
  165   3HZ   LYS  27          3HZ       LYS  27 -11.226  -4.558  -4.156
  166    H    TRP  28           H        TRP  28  -4.453  -3.799  -0.676
  167    HA   TRP  28           HA       TRP  28  -5.170  -1.167   0.554
  168   1HB   TRP  28          2HB       TRP  28  -4.599  -2.113   2.765
  169   2HB   TRP  28          1HB       TRP  28  -5.938  -2.973   2.018
  170    HD1  TRP  28           HD       TRP  28  -2.089  -3.440   1.674
  171    HE1  TRP  28           1HE      TRP  28  -1.562  -5.924   2.116
  172    HE3  TRP  28           3HE      TRP  28  -6.768  -5.162   2.732
  173    HZ2  TRP  28           2HZ      TRP  28  -2.937  -8.319   2.833
  174    HZ3  TRP  28           3HZ      TRP  28  -7.136  -7.546   3.298
  175    HH2  TRP  28           HH       TRP  28  -5.226  -9.127   3.349
  176    H    CYS  29           H        CYS  29  -3.265  -0.238   1.805
  177    HA   CYS  29           HA       CYS  29  -0.851  -0.437   0.117
  178   1HB   CYS  29          2HB       CYS  29  -2.096   1.664   1.022
  179   2HB   CYS  29          1HB       CYS  29  -1.269   1.315   2.539
  180    H    VAL  30           H        VAL  30   1.111  -1.259   0.810
  181    HA   VAL  30           HA       VAL  30   1.343  -2.195   3.649
  182    HB   VAL  30           HB       VAL  30   2.481  -4.243   2.628
  183   1HG1  VAL  30          1HG1      VAL  30   0.482  -5.381   2.621
  184   2HG1  VAL  30          2HG1      VAL  30  -0.322  -4.178   1.615
  185   3HG1  VAL  30          3HG1      VAL  30  -0.070  -3.864   3.332
  186   1HG2  VAL  30          1HG2      VAL  30   1.013  -3.481   0.103
  187   2HG2  VAL  30          2HG2      VAL  30   2.264  -4.704   0.324
  188   3HG2  VAL  30          3HG2      VAL  30   2.691  -2.994   0.351
  189    H    TYR  31           H        TYR  31   3.782  -2.890   4.002
  190    HA   TYR  31           HA       TYR  31   5.443  -0.590   3.536
  191   1HB   TYR  31          2HB       TYR  31   5.423  -2.822   5.171
  192   2HB   TYR  31          1HB       TYR  31   6.802  -3.135   4.118
  193    HD1  TYR  31           1HD      TYR  31   8.105  -0.717   3.578
  194    HD2  TYR  31           2HD      TYR  31   6.025  -1.807   7.176
  195    HE1  TYR  31           1HE      TYR  31   9.450   0.928   4.854
  196    HE2  TYR  31           2HE      TYR  31   7.372  -0.161   8.451
  197    HH   TYR  31           HH       TYR  31   8.810   2.260   7.381
  198    H    ALA  32           H        ALA  32   6.584  -0.075   1.729
  199    HA   ALA  32           HA       ALA  32   6.973  -2.147  -0.384
  200   1HB   ALA  32          1HB       ALA  32   7.167  -0.233  -1.853
  201   2HB   ALA  32          2HB       ALA  32   7.355   0.861  -0.483
  202   3HB   ALA  32          3HB       ALA  32   5.804   0.074  -0.777
  203    H    ARG  33           H        ARG  33   8.760  -2.947   1.241
  204    HA   ARG  33           HA       ARG  33  11.197  -1.359   1.437
  205   1HB   ARG  33          2HB       ARG  33  12.065  -3.391   2.497
  206   2HB   ARG  33          1HB       ARG  33  10.439  -3.067   3.090
  207   1HG   ARG  33          2HG       ARG  33   9.985  -5.214   2.526
  208   2HG   ARG  33          1HG       ARG  33   9.962  -4.635   0.861
  209   1HD   ARG  33          2HD       ARG  33  11.736  -5.972   0.414
  210   2HD   ARG  33          1HD       ARG  33  12.701  -5.033   1.571
  211    HE   ARG  33           HE       ARG  33  10.950  -7.312   2.427
  212   1HH1  ARG  33          1HH2      ARG  33  12.019  -5.737   4.650
  213   2HH1  ARG  33          2HH2      ARG  33  13.525  -6.513   5.008
  214   1HH2  ARG  33          1HH1      ARG  33  13.684  -8.193   1.971
  215   2HH2  ARG  33          2HH1      ARG  33  14.470  -7.906   3.487
  216    HA   PRO  34           HA       PRO  34  12.918  -2.462  -2.469
  217   1HB   PRO  34          2HB       PRO  34  15.560  -1.995  -1.929
  218   2HB   PRO  34          1HB       PRO  34  14.377  -0.694  -2.175
  219   1HG   PRO  34          2HG       PRO  34  15.506  -1.769   0.356
  220   2HG   PRO  34          1HG       PRO  34  15.096  -0.103  -0.082
  221   1HD   PRO  34          2HD       PRO  34  13.532  -1.697   1.502
  222   2HD   PRO  34          1HD       PRO  34  12.911  -0.345   0.529
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1  -7.087  12.583   1.566
    2   2H    GLY   1          2HT       GLY   1  -5.400  12.420   1.684
    3   3H    GLY   1          3HT       GLY   1  -6.261  13.267   2.878
    4   1HA   GLY   1          2HA       GLY   1  -6.346  11.400   4.050
    5   2HA   GLY   1          1HA       GLY   1  -7.461  10.805   2.820
    6    H    CYS   2           H        CYS   2  -4.723   9.972   4.397
    7    HA   CYS   2           HA       CYS   2  -3.658   8.414   2.059
    8   1HB   CYS   2          2HB       CYS   2  -1.462   8.777   2.952
    9   2HB   CYS   2          1HB       CYS   2  -2.270  10.341   3.004
   10    H    GLY   3           H        GLY   3  -2.139   6.556   3.174
   11   1HA   GLY   3          2HA       GLY   3  -3.357   5.406   5.592
   12   2HA   GLY   3          1HA       GLY   3  -3.654   4.498   4.108
   13    H    GLY   4           H        GLY   4  -2.110   3.584   6.402
   14   1HA   GLY   4          2HA       GLY   4   0.378   2.885   4.963
   15   2HA   GLY   4          1HA       GLY   4   0.571   3.675   6.528
   16    H    LEU   5           H        LEU   5   0.891   0.763   5.333
   17    HA   LEU   5           HA       LEU   5   0.868  -1.399   6.261
   18   1HB   LEU   5          2HB       LEU   5   1.106   0.445   8.342
   19   2HB   LEU   5          1HB       LEU   5  -0.199  -0.616   8.870
   20    HG   LEU   5           HG       LEU   5   2.040  -1.430   9.595
   21   1HD1  LEU   5          1HD1      LEU   5   1.792  -3.755   8.602
   22   2HD1  LEU   5          2HD1      LEU   5   0.507  -3.100   7.587
   23   3HD1  LEU   5          3HD1      LEU   5   0.331  -3.098   9.342
   24   1HD2  LEU   5          1HD2      LEU   5   2.857  -2.436   6.988
   25   2HD2  LEU   5          2HD2      LEU   5   3.792  -1.524   8.173
   26   3HD2  LEU   5          3HD2      LEU   5   2.787  -0.674   6.998
   27    H    MET   6           H        MET   6  -0.840  -2.279   5.049
   28    HA   MET   6           HA       MET   6  -2.978  -3.170   4.621
   29   1HB   MET   6          2HB       MET   6  -2.561  -3.139   7.576
   30   2HB   MET   6          1HB       MET   6  -4.192  -3.491   7.008
   31   1HG   MET   6          2HG       MET   6  -3.491  -5.617   6.710
   32   2HG   MET   6          1HG       MET   6  -2.575  -5.014   5.329
   33   1HE   MET   6          1HE       MET   6  -2.915  -5.571   8.878
   34   2HE   MET   6          2HE       MET   6  -1.656  -4.473   9.438
   35   3HE   MET   6          3HE       MET   6  -1.375  -6.212   9.466
   36    H    ALA   7           H        ALA   7  -2.669  -0.258   4.541
   37    HA   ALA   7           HA       ALA   7  -5.158   0.849   5.704
   38   1HB   ALA   7          1HB       ALA   7  -4.109   2.875   5.355
   39   2HB   ALA   7          2HB       ALA   7  -3.391   2.354   3.830
   40   3HB   ALA   7          3HB       ALA   7  -2.686   1.833   5.359
   41    H    GLY   8           H        GLY   8  -7.032   0.951   4.554
   42   1HA   GLY   8          2HA       GLY   8  -7.361  -0.133   1.950
   43   2HA   GLY   8          1HA       GLY   8  -8.533   0.911   2.753
   44    H    CYS   9           H        CYS   9  -6.423   0.696   0.147
   45    HA   CYS   9           HA       CYS   9  -6.363   3.674  -0.173
   46   1HB   CYS   9          2HB       CYS   9  -4.427   3.089  -1.764
   47   2HB   CYS   9          1HB       CYS   9  -4.134   2.855  -0.044
   48    H    ASP  10           H        ASP  10  -6.755   0.610  -1.969
   49    HA   ASP  10           HA       ASP  10  -7.932   0.120  -3.953
   50   1HB   ASP  10          2HB       ASP  10  -9.439   2.015  -2.324
   51   2HB   ASP  10          1HB       ASP  10  -9.840   2.178  -4.032
   52    H    GLY  11           H        GLY  11  -6.112   0.710  -5.348
   53   1HA   GLY  11          2HA       GLY  11  -6.469   2.191  -7.554
   54   2HA   GLY  11          1HA       GLY  11  -6.044   3.463  -6.404
   55    H    LYS  12           H        LYS  12  -4.762   1.332  -8.620
   56    HA   LYS  12           HA       LYS  12  -2.311   0.477  -7.413
   57   1HB   LYS  12          2HB       LYS  12  -2.936   1.209 -10.294
   58   2HB   LYS  12          1HB       LYS  12  -1.606   0.187  -9.758
   59   1HG   LYS  12          2HG       LYS  12  -2.959  -1.614  -9.386
   60   2HG   LYS  12          1HG       LYS  12  -4.289  -0.622  -8.792
   61   1HD   LYS  12          2HD       LYS  12  -3.563  -0.469 -11.699
   62   2HD   LYS  12          1HD       LYS  12  -4.480  -1.860 -11.124
   63   1HE   LYS  12          2HE       LYS  12  -6.257  -0.441 -11.576
   64   2HE   LYS  12          1HE       LYS  12  -5.902   0.112  -9.930
   65   1HZ   LYS  12          1HZ       LYS  12  -4.655   1.899 -10.709
   66   2HZ   LYS  12          2HZ       LYS  12  -5.966   1.859 -11.785
   67   3HZ   LYS  12          3HZ       LYS  12  -4.461   1.233 -12.257
   68    H    SER  13           H        SER  13  -3.362   3.620  -8.466
   69    HA   SER  13           HA       SER  13  -0.616   4.702  -8.720
   70   1HB   SER  13          2HB       SER  13  -2.897   5.252 -10.001
   71   2HB   SER  13          1HB       SER  13  -3.095   6.379  -8.663
   72    HG   SER  13           HG       SER  13  -1.256   6.355 -10.745
   73    H    THR  14           H        THR  14  -3.066   4.337  -6.273
   74    HA   THR  14           HA       THR  14  -2.588   6.585  -4.604
   75    HB   THR  14           HB       THR  14  -3.216   3.724  -3.776
   76    HG1  THR  14           1HG      THR  14  -5.237   4.096  -4.405
   77   1HG2  THR  14          1HG2      THR  14  -3.395   6.406  -2.490
   78   2HG2  THR  14          2HG2      THR  14  -3.069   4.830  -1.767
   79   3HG2  THR  14          3HG2      THR  14  -4.721   5.281  -2.192
   80    H    PHE  15           H        PHE  15  -0.697   7.192  -3.650
   81    HA   PHE  15           HA       PHE  15   1.494   5.216  -3.304
   82   1HB   PHE  15          2HB       PHE  15   1.855   7.393  -4.432
   83   2HB   PHE  15          1HB       PHE  15   1.339   8.233  -2.971
   84    HD1  PHE  15           1HD      PHE  15   3.099   9.143  -1.760
   85    HD2  PHE  15           2HD      PHE  15   3.664   5.374  -3.743
   86    HE1  PHE  15           1HE      PHE  15   5.405   9.014  -0.859
   87    HE2  PHE  15           2HE      PHE  15   5.970   5.246  -2.841
   88    HZ   PHE  15           HZ       PHE  15   6.840   7.065  -1.399
   89    H    CYS  16           H        CYS  16  -1.028   5.546  -1.457
   90    HA   CYS  16           HA       CYS  16  -1.467   5.401   0.856
   91   1HB   CYS  16          2HB       CYS  16   1.498   4.828   1.081
   92   2HB   CYS  16          1HB       CYS  16   0.187   4.160   2.048
   93    H    CYS  17           H        CYS  17   0.562   6.056   2.954
   94    HA   CYS  17           HA       CYS  17   0.314   9.008   2.812
   95   1HB   CYS  17          2HB       CYS  17  -0.161   7.193   4.769
   96   2HB   CYS  17          1HB       CYS  17   1.500   7.632   5.164
   97    H    SER  18           H        SER  18   2.904   6.822   3.969
   98    HA   SER  18           HA       SER  18   4.911   8.093   2.243
   99   1HB   SER  18          2HB       SER  18   4.362   9.627   4.262
  100   2HB   SER  18          1HB       SER  18   5.206   8.423   5.231
  101    HG   SER  18           HG       SER  18   6.483  10.234   4.336
  102    H    GLY  19           H        GLY  19   6.130   6.329   1.682
  103   1HA   GLY  19          2HA       GLY  19   7.656   4.549   2.034
  104   2HA   GLY  19          1HA       GLY  19   7.334   4.649   3.764
  105    H    TYR  20           H        TYR  20   4.752   4.350   1.376
  106    HA   TYR  20           HA       TYR  20   4.386   1.478   2.138
  107   1HB   TYR  20          2HB       TYR  20   2.371   3.745   2.241
  108   2HB   TYR  20          1HB       TYR  20   1.932   2.044   2.391
  109    HD1  TYR  20           1HD      TYR  20   2.768   4.938   4.194
  110    HD2  TYR  20           2HD      TYR  20   3.422   0.697   4.175
  111    HE1  TYR  20           1HE      TYR  20   3.341   5.016   6.605
  112    HE2  TYR  20           2HE      TYR  20   3.994   0.772   6.585
  113    HH   TYR  20           HH       TYR  20   3.219   2.807   8.597
  114    H    ASN  21           H        ASN  21   2.732   0.425   0.635
  115    HA   ASN  21           HA       ASN  21   2.563   1.734  -2.047
  116   1HB   ASN  21          2HB       ASN  21   4.410  -0.250  -1.280
  117   2HB   ASN  21          1HB       ASN  21   3.176  -1.106  -2.204
  118   1HD2  ASN  21          1HD2      ASN  21   2.768  -0.350  -4.450
  119   2HD2  ASN  21          2HD2      ASN  21   3.962   0.528  -5.279
  120    H    CYS  22           H        CYS  22   0.465   1.589  -2.727
  121    HA   CYS  22           HA       CYS  22  -1.517  -0.025  -1.364
  122   1HB   CYS  22          2HB       CYS  22  -1.908   2.177  -2.457
  123   2HB   CYS  22          1HB       CYS  22  -1.593   1.436  -4.025
  124    H    SER  23           H        SER  23  -1.696  -2.208  -1.652
  125    HA   SER  23           HA       SER  23  -0.510  -3.613  -3.902
  126   1HB   SER  23          2HB       SER  23  -2.497  -4.543  -1.802
  127   2HB   SER  23          1HB       SER  23  -1.446  -5.573  -2.769
  128    HG   SER  23           HG       SER  23  -0.920  -4.232  -0.485
  129    HA   PRO  24           HA       PRO  24  -4.040  -3.122  -6.569
  130   1HB   PRO  24          2HB       PRO  24  -3.185  -4.789  -8.563
  131   2HB   PRO  24          1HB       PRO  24  -2.545  -3.151  -8.329
  132   1HG   PRO  24          2HG       PRO  24  -1.366  -5.769  -7.560
  133   2HG   PRO  24          1HG       PRO  24  -0.575  -4.310  -8.176
  134   1HD   PRO  24          2HD       PRO  24  -0.580  -5.046  -5.542
  135   2HD   PRO  24          1HD       PRO  24  -0.410  -3.370  -6.103
  136    H    THR  25           H        THR  25  -2.872  -6.193  -5.321
  137    HA   THR  25           HA       THR  25  -5.341  -7.622  -6.157
  138    HB   THR  25           HB       THR  25  -2.855  -8.538  -4.673
  139    HG1  THR  25           1HG      THR  25  -3.569  -8.709  -7.416
  140   1HG2  THR  25          1HG2      THR  25  -3.617 -10.794  -5.505
  141   2HG2  THR  25          2HG2      THR  25  -5.131 -10.035  -5.996
  142   3HG2  THR  25          3HG2      THR  25  -4.675 -10.074  -4.292
  143    H    TRP  26           H        TRP  26  -3.685  -6.488  -3.224
  144    HA   TRP  26           HA       TRP  26  -5.803  -7.623  -1.484
  145   1HB   TRP  26          2HB       TRP  26  -3.345  -5.966  -0.848
  146   2HB   TRP  26          1HB       TRP  26  -4.313  -6.881   0.302
  147    HD1  TRP  26           HD       TRP  26  -4.645  -9.440  -1.731
  148    HE1  TRP  26           1HE      TRP  26  -2.642 -11.043  -1.951
  149    HE3  TRP  26           3HE      TRP  26  -0.900  -6.418  -0.026
  150    HZ2  TRP  26           2HZ      TRP  26   0.176 -11.050  -1.465
  151    HZ3  TRP  26           3HZ      TRP  26   1.432  -7.247   0.087
  152    HH2  TRP  26           HH       TRP  26   1.974  -9.558  -0.629
  153    H    LYS  27           H        LYS  27  -5.002  -4.612  -3.010
  154    HA   LYS  27           HA       LYS  27  -6.188  -2.588  -3.096
  155   1HB   LYS  27          2HB       LYS  27  -8.026  -4.523  -2.459
  156   2HB   LYS  27          1HB       LYS  27  -8.220  -3.390  -1.120
  157   1HG   LYS  27          2HG       LYS  27  -9.700  -2.593  -2.791
  158   2HG   LYS  27          1HG       LYS  27  -8.283  -1.551  -2.923
  159   1HD   LYS  27          2HD       LYS  27  -7.974  -3.947  -4.540
  160   2HD   LYS  27          1HD       LYS  27  -9.435  -3.064  -4.981
  161   1HE   LYS  27          2HE       LYS  27  -8.257  -1.187  -5.681
  162   2HE   LYS  27          1HE       LYS  27  -6.905  -1.499  -4.575
  163   1HZ   LYS  27          1HZ       LYS  27  -7.608  -3.138  -6.956
  164   2HZ   LYS  27          2HZ       LYS  27  -6.329  -3.452  -5.882
  165   3HZ   LYS  27          3HZ       LYS  27  -6.304  -2.060  -6.855
  166    H    TRP  28           H        TRP  28  -4.482  -3.612  -0.463
  167    HA   TRP  28           HA       TRP  28  -5.152  -1.113   1.050
  168   1HB   TRP  28          2HB       TRP  28  -4.469  -2.309   3.084
  169   2HB   TRP  28          1HB       TRP  28  -5.749  -3.179   2.252
  170    HD1  TRP  28           HD       TRP  28  -1.880  -3.248   1.835
  171    HE1  TRP  28           1HE      TRP  28  -1.130  -5.708   1.910
  172    HE3  TRP  28           3HE      TRP  28  -6.384  -5.520   2.621
  173    HZ2  TRP  28           2HZ      TRP  28  -2.279  -8.298   2.267
  174    HZ3  TRP  28           3HZ      TRP  28  -6.524  -7.986   2.829
  175    HH2  TRP  28           HH       TRP  28  -4.480  -9.376   2.653
  176    H    CYS  29           H        CYS  29  -3.281  -0.159   2.225
  177    HA   CYS  29           HA       CYS  29  -0.871  -0.162   0.491
  178   1HB   CYS  29          2HB       CYS  29  -2.306   1.649   2.355
  179   2HB   CYS  29          1HB       CYS  29  -0.552   1.828   2.326
  180    H    VAL  30           H        VAL  30   0.931  -1.279   1.136
  181    HA   VAL  30           HA       VAL  30   1.312  -1.805   4.073
  182    HB   VAL  30           HB       VAL  30   2.628  -3.846   3.107
  183   1HG1  VAL  30          1HG1      VAL  30   0.448  -5.123   2.873
  184   2HG1  VAL  30          2HG1      VAL  30  -0.382  -3.577   3.042
  185   3HG1  VAL  30          3HG1      VAL  30   0.619  -4.188   4.357
  186   1HG2  VAL  30          1HG2      VAL  30   2.422  -2.882   0.726
  187   2HG2  VAL  30          2HG2      VAL  30   0.742  -3.416   0.779
  188   3HG2  VAL  30          3HG2      VAL  30   2.047  -4.593   0.924
  189    H    TYR  31           H        TYR  31   3.722  -2.235   4.567
  190    HA   TYR  31           HA       TYR  31   5.319   0.011   3.993
  191   1HB   TYR  31          2HB       TYR  31   7.144  -1.355   4.924
  192   2HB   TYR  31          1HB       TYR  31   5.658  -1.638   5.824
  193    HD1  TYR  31           1HD      TYR  31   7.945  -3.040   3.257
  194    HD2  TYR  31           2HD      TYR  31   4.575  -3.791   5.814
  195    HE1  TYR  31           1HE      TYR  31   8.111  -5.465   2.765
  196    HE2  TYR  31           2HE      TYR  31   4.741  -6.215   5.319
  197    HH   TYR  31           HH       TYR  31   5.813  -7.579   3.138
  198    H    ALA  32           H        ALA  32   6.967   0.438   2.462
  199    HA   ALA  32           HA       ALA  32   6.865  -1.249  -0.003
  200   1HB   ALA  32          1HB       ALA  32   6.297   1.026  -0.408
  201   2HB   ALA  32          2HB       ALA  32   7.978   0.897  -0.927
  202   3HB   ALA  32          3HB       ALA  32   7.589   1.618   0.636
  203    H    ARG  33           H        ARG  33   8.419  -2.865   0.416
  204    HA   ARG  33           HA       ARG  33  11.244  -1.948   0.446
  205   1HB   ARG  33          2HB       ARG  33  10.286  -2.261   2.816
  206   2HB   ARG  33          1HB       ARG  33  10.232  -3.984   2.443
  207   1HG   ARG  33          2HG       ARG  33  12.595  -4.098   2.145
  208   2HG   ARG  33          1HG       ARG  33  12.746  -2.340   2.097
  209   1HD   ARG  33          2HD       ARG  33  11.965  -2.251   4.481
  210   2HD   ARG  33          1HD       ARG  33  11.992  -4.025   4.510
  211    HE   ARG  33           HE       ARG  33  14.476  -3.596   3.626
  212   1HH1  ARG  33          1HH1      ARG  33  14.471  -0.718   4.313
  213   2HH1  ARG  33          2HH1      ARG  33  15.065  -0.709   5.940
  214   1HH2  ARG  33          1HH2      ARG  33  14.467  -4.092   6.459
  215   2HH2  ARG  33          2HH2      ARG  33  15.063  -2.624   7.158
  216    HA   PRO  34           HA       PRO  34  10.556  -5.540  -2.326
  217   1HB   PRO  34          2HB       PRO  34  12.327  -4.700  -4.240
  218   2HB   PRO  34          1HB       PRO  34  10.637  -4.159  -4.179
  219   1HG   PRO  34          2HG       PRO  34  13.106  -2.765  -3.275
  220   2HG   PRO  34          1HG       PRO  34  11.666  -2.111  -4.071
  221   1HD   PRO  34          2HD       PRO  34  12.144  -1.883  -1.395
  222   2HD   PRO  34          1HD       PRO  34  10.515  -1.900  -2.106
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1  -4.190  11.322   1.642
    2   2H    GLY   1          2HT       GLY   1  -5.100  12.245   2.741
    3   3H    GLY   1          3HT       GLY   1  -4.495  10.725   3.201
    4   1HA   GLY   1          2HA       GLY   1  -2.638  12.848   2.350
    5   2HA   GLY   1          1HA       GLY   1  -3.281  12.845   3.993
    6    H    CYS   2           H        CYS   2  -2.983  10.801   5.247
    7    HA   CYS   2           HA       CYS   2  -0.467   9.382   4.429
    8   1HB   CYS   2          2HB       CYS   2  -0.035  10.826   6.289
    9   2HB   CYS   2          1HB       CYS   2  -1.533  10.356   7.092
   10    H    GLY   3           H        GLY   3  -1.283   7.432   3.627
   11   1HA   GLY   3          2HA       GLY   3  -3.016   5.860   5.493
   12   2HA   GLY   3          1HA       GLY   3  -3.292   5.844   3.750
   13    H    GLY   4           H        GLY   4  -1.983   4.029   6.134
   14   1HA   GLY   4          2HA       GLY   4  -0.413   2.438   4.243
   15   2HA   GLY   4          1HA       GLY   4   0.558   3.198   5.503
   16    H    LEU   5           H        LEU   5   0.680   0.554   5.580
   17    HA   LEU   5           HA       LEU   5   0.345  -1.331   6.949
   18   1HB   LEU   5          2HB       LEU   5   0.135   1.051   8.494
   19   2HB   LEU   5          1HB       LEU   5  -1.107  -0.050   9.087
   20    HG   LEU   5           HG       LEU   5   0.974  -0.440  10.306
   21   1HD1  LEU   5          1HD1      LEU   5  -0.500  -2.391   8.940
   22   2HD1  LEU   5          2HD1      LEU   5   0.579  -2.660  10.308
   23   3HD1  LEU   5          3HD1      LEU   5   1.185  -2.832   8.660
   24   1HD2  LEU   5          1HD2      LEU   5   2.091  -0.401   7.544
   25   2HD2  LEU   5          2HD2      LEU   5   2.820  -1.539   8.676
   26   3HD2  LEU   5          3HD2      LEU   5   2.796   0.184   9.050
   27    H    MET   6           H        MET   6  -1.205  -2.271   5.459
   28    HA   MET   6           HA       MET   6  -3.277  -3.209   4.855
   29   1HB   MET   6          2HB       MET   6  -3.553  -2.692   7.826
   30   2HB   MET   6          1HB       MET   6  -4.802  -3.526   6.903
   31   1HG   MET   6          2HG       MET   6  -1.956  -4.451   6.668
   32   2HG   MET   6          1HG       MET   6  -2.896  -4.913   8.087
   33   1HE   MET   6          1HE       MET   6  -4.585  -6.476   8.267
   34   2HE   MET   6          2HE       MET   6  -5.557  -7.220   6.999
   35   3HE   MET   6          3HE       MET   6  -5.767  -5.511   7.372
   36    H    ALA   7           H        ALA   7  -2.930  -0.359   4.418
   37    HA   ALA   7           HA       ALA   7  -5.494   0.920   5.162
   38   1HB   ALA   7          1HB       ALA   7  -2.830   1.661   4.179
   39   2HB   ALA   7          2HB       ALA   7  -3.967   2.604   5.141
   40   3HB   ALA   7          3HB       ALA   7  -4.122   2.562   3.385
   41    H    GLY   8           H        GLY   8  -7.114  -0.185   3.977
   42   1HA   GLY   8          2HA       GLY   8  -6.937  -1.031   1.272
   43   2HA   GLY   8          1HA       GLY   8  -8.448  -0.680   2.111
   44    H    CYS   9           H        CYS   9  -6.250   0.408  -0.272
   45    HA   CYS   9           HA       CYS   9  -7.563   3.097  -0.381
   46   1HB   CYS   9          2HB       CYS   9  -5.547   3.796  -1.532
   47   2HB   CYS   9          1HB       CYS   9  -5.071   2.907  -0.090
   48    H    ASP  10           H        ASP  10  -6.831   0.187  -2.264
   49    HA   ASP  10           HA       ASP  10  -7.774  -0.633  -4.259
   50   1HB   ASP  10          2HB       ASP  10  -9.775   0.544  -2.894
   51   2HB   ASP  10          1HB       ASP  10  -9.758   1.599  -4.307
   52    H    GLY  11           H        GLY  11  -6.101  -0.142  -5.709
   53   1HA   GLY  11          2HA       GLY  11  -6.217   1.166  -7.974
   54   2HA   GLY  11          1HA       GLY  11  -6.059   2.572  -6.920
   55    H    LYS  12           H        LYS  12  -4.305   0.469  -8.790
   56    HA   LYS  12           HA       LYS  12  -1.944   0.004  -7.209
   57   1HB   LYS  12          2HB       LYS  12  -0.978  -0.611  -9.338
   58   2HB   LYS  12          1HB       LYS  12  -2.668  -1.113  -9.368
   59   1HG   LYS  12          2HG       LYS  12  -2.966   1.366 -10.364
   60   2HG   LYS  12          1HG       LYS  12  -1.309   1.064 -10.885
   61   1HD   LYS  12          2HD       LYS  12  -2.564   0.216 -12.676
   62   2HD   LYS  12          1HD       LYS  12  -2.241  -1.227 -11.716
   63   1HE   LYS  12          2HE       LYS  12  -4.566  -1.385 -12.122
   64   2HE   LYS  12          1HE       LYS  12  -4.510  -0.617 -10.524
   65   1HZ   LYS  12          1HZ       LYS  12  -4.563   1.553 -11.616
   66   2HZ   LYS  12          2HZ       LYS  12  -5.939   0.638 -12.010
   67   3HZ   LYS  12          3HZ       LYS  12  -4.676   0.801 -13.133
   68    H    SER  13           H        SER  13  -3.209   2.892  -8.603
   69    HA   SER  13           HA       SER  13  -0.524   4.217  -8.563
   70   1HB   SER  13          2HB       SER  13  -1.598   5.866 -10.006
   71   2HB   SER  13          1HB       SER  13  -1.946   4.257 -10.630
   72    HG   SER  13           HG       SER  13  -3.620   6.152  -9.530
   73    H    THR  14           H        THR  14  -2.802   3.641  -6.337
   74    HA   THR  14           HA       THR  14  -3.512   6.299  -5.394
   75    HB   THR  14           HB       THR  14  -3.542   3.508  -4.191
   76    HG1  THR  14           1HG      THR  14  -5.573   3.510  -4.851
   77   1HG2  THR  14          1HG2      THR  14  -3.727   4.531  -2.187
   78   2HG2  THR  14          2HG2      THR  14  -5.316   5.061  -2.740
   79   3HG2  THR  14          3HG2      THR  14  -3.919   6.121  -2.925
   80    H    PHE  15           H        PHE  15  -2.456   7.541  -3.826
   81    HA   PHE  15           HA       PHE  15   0.348   6.827  -3.226
   82   1HB   PHE  15          2HB       PHE  15  -1.247   9.187  -3.590
   83   2HB   PHE  15          1HB       PHE  15  -0.505   9.265  -1.994
   84    HD1  PHE  15           1HD      PHE  15   2.025   7.740  -2.499
   85    HD2  PHE  15           2HD      PHE  15   0.033  10.731  -4.855
   86    HE1  PHE  15           1HE      PHE  15   4.186   8.359  -3.537
   87    HE2  PHE  15           2HE      PHE  15   2.199  11.349  -5.895
   88    HZ   PHE  15           HZ       PHE  15   4.275  10.162  -5.237
   89    H    CYS  16           H        CYS  16   1.149   7.073  -0.963
   90    HA   CYS  16           HA       CYS  16  -0.909   6.382   1.112
   91   1HB   CYS  16          2HB       CYS  16   1.694   5.085   0.311
   92   2HB   CYS  16          1HB       CYS  16   1.099   4.907   1.961
   93    H    CYS  17           H        CYS  17   0.952   6.254   3.265
   94    HA   CYS  17           HA       CYS  17   1.252   9.031   3.931
   95   1HB   CYS  17          2HB       CYS  17   1.051   6.827   5.352
   96   2HB   CYS  17          1HB       CYS  17   2.811   6.825   5.244
   97    H    SER  18           H        SER  18   3.901   6.640   3.640
   98    HA   SER  18           HA       SER  18   5.499   8.296   1.870
   99   1HB   SER  18          2HB       SER  18   5.606   9.645   3.924
  100   2HB   SER  18          1HB       SER  18   6.137   8.236   4.839
  101    HG   SER  18           HG       SER  18   8.033   9.030   4.301
  102    H    GLY  19           H        GLY  19   5.723   5.904   4.514
  103   1HA   GLY  19          2HA       GLY  19   7.736   4.394   2.911
  104   2HA   GLY  19          1HA       GLY  19   7.505   4.226   4.652
  105    H    TYR  20           H        TYR  20   4.788   4.382   2.424
  106    HA   TYR  20           HA       TYR  20   4.327   1.443   2.813
  107   1HB   TYR  20          2HB       TYR  20   2.329   3.722   3.017
  108   2HB   TYR  20          1HB       TYR  20   1.944   2.011   3.184
  109    HD1  TYR  20           1HD      TYR  20   3.466   0.708   4.953
  110    HD2  TYR  20           2HD      TYR  20   2.755   4.944   4.955
  111    HE1  TYR  20           1HE      TYR  20   4.063   0.807   7.355
  112    HE2  TYR  20           2HE      TYR  20   3.351   5.043   7.359
  113    HH   TYR  20           HH       TYR  20   3.273   2.857   9.361
  114    H    ASN  21           H        ASN  21   2.939   0.493   1.123
  115    HA   ASN  21           HA       ASN  21   2.544   2.146  -1.330
  116   1HB   ASN  21          2HB       ASN  21   4.730   0.450  -0.897
  117   2HB   ASN  21          1HB       ASN  21   3.637  -0.501  -1.903
  118   1HD2  ASN  21          1HD2      ASN  21   2.691   0.852  -3.858
  119   2HD2  ASN  21          2HD2      ASN  21   3.794   1.868  -4.653
  120    H    CYS  22           H        CYS  22   0.552   1.692  -2.198
  121    HA   CYS  22           HA       CYS  22  -1.217  -0.279  -1.061
  122   1HB   CYS  22          2HB       CYS  22  -1.181   1.631  -3.366
  123   2HB   CYS  22          1HB       CYS  22  -2.429   0.387  -3.348
  124    H    SER  23           H        SER  23  -1.343  -2.438  -1.529
  125    HA   SER  23           HA       SER  23   0.324  -3.594  -3.659
  126   1HB   SER  23          2HB       SER  23  -0.090  -4.480  -1.282
  127   2HB   SER  23          1HB       SER  23  -1.683  -4.967  -1.854
  128    HG   SER  23           HG       SER  23   0.823  -6.002  -2.414
  129    HA   PRO  24           HA       PRO  24  -2.959  -3.691  -6.627
  130   1HB   PRO  24          2HB       PRO  24  -1.879  -5.518  -8.353
  131   2HB   PRO  24          1HB       PRO  24  -1.311  -3.840  -8.239
  132   1HG   PRO  24          2HG       PRO  24  -0.128  -6.321  -7.108
  133   2HG   PRO  24          1HG       PRO  24   0.671  -4.897  -7.792
  134   1HD   PRO  24          2HD       PRO  24   0.439  -5.383  -5.107
  135   2HD   PRO  24          1HD       PRO  24   0.626  -3.764  -5.814
  136    H    THR  25           H        THR  25  -1.797  -6.609  -5.026
  137    HA   THR  25           HA       THR  25  -4.199  -8.143  -5.891
  138    HB   THR  25           HB       THR  25  -1.727  -8.933  -4.315
  139    HG1  THR  25           1HG      THR  25  -2.407  -9.305  -7.044
  140   1HG2  THR  25          1HG2      THR  25  -4.193 -10.344  -5.111
  141   2HG2  THR  25          2HG2      THR  25  -3.035 -10.730  -3.837
  142   3HG2  THR  25          3HG2      THR  25  -2.700 -11.195  -5.504
  143    H    TRP  26           H        TRP  26  -2.719  -6.730  -2.998
  144    HA   TRP  26           HA       TRP  26  -4.731  -7.943  -1.206
  145   1HB   TRP  26          2HB       TRP  26  -2.595  -5.852  -0.689
  146   2HB   TRP  26          1HB       TRP  26  -3.445  -6.800   0.521
  147    HD1  TRP  26           HD       TRP  26  -3.186  -9.492  -1.500
  148    HE1  TRP  26           1HE      TRP  26  -0.951 -10.764  -1.373
  149    HE3  TRP  26           3HE      TRP  26  -0.239  -5.891   0.597
  150    HZ2  TRP  26           2HZ      TRP  26   1.735 -10.319  -0.489
  151    HZ3  TRP  26           3HZ      TRP  26   2.150  -6.340   1.073
  152    HH2  TRP  26           HH       TRP  26   3.140  -8.547   0.533
  153    H    LYS  27           H        LYS  27  -4.288  -4.959  -2.966
  154    HA   LYS  27           HA       LYS  27  -5.773  -3.161  -3.287
  155   1HB   LYS  27          2HB       LYS  27  -7.405  -5.162  -2.776
  156   2HB   LYS  27          1HB       LYS  27  -7.628  -4.335  -1.236
  157   1HG   LYS  27          2HG       LYS  27  -9.242  -3.207  -2.401
  158   2HG   LYS  27          1HG       LYS  27  -7.870  -2.227  -2.916
  159   1HD   LYS  27          2HD       LYS  27  -8.287  -2.811  -5.047
  160   2HD   LYS  27          1HD       LYS  27  -7.941  -4.489  -4.630
  161   1HE   LYS  27          2HE       LYS  27 -10.540  -4.006  -3.634
  162   2HE   LYS  27          1HE       LYS  27 -10.500  -3.273  -5.249
  163   1HZ   LYS  27          1HZ       LYS  27 -11.012  -5.631  -5.396
  164   2HZ   LYS  27          2HZ       LYS  27  -9.582  -6.019  -4.565
  165   3HZ   LYS  27          3HZ       LYS  27  -9.508  -5.309  -6.109
  166    H    TRP  28           H        TRP  28  -4.202  -3.865  -0.370
  167    HA   TRP  28           HA       TRP  28  -4.994  -1.187   0.715
  168   1HB   TRP  28          2HB       TRP  28  -4.615  -2.131   2.967
  169   2HB   TRP  28          1HB       TRP  28  -5.852  -3.023   2.094
  170    HD1  TRP  28           HD       TRP  28  -1.983  -3.335   2.409
  171    HE1  TRP  28           1HE      TRP  28  -1.429  -5.826   2.777
  172    HE3  TRP  28           3HE      TRP  28  -6.686  -5.313   2.328
  173    HZ2  TRP  28           2HZ      TRP  28  -2.795  -8.323   3.012
  174    HZ3  TRP  28           3HZ      TRP  28  -7.033  -7.749   2.627
  175    HH2  TRP  28           HH       TRP  28  -5.095  -9.255   2.970
  176    H    CYS  29           H        CYS  29  -3.234  -0.168   2.068
  177    HA   CYS  29           HA       CYS  29  -0.667  -0.355   0.626
  178   1HB   CYS  29          2HB       CYS  29  -2.057   1.737   1.350
  179   2HB   CYS  29          1HB       CYS  29  -1.326   1.472   2.930
  180    H    VAL  30           H        VAL  30   1.167  -1.254   1.455
  181    HA   VAL  30           HA       VAL  30   1.226  -2.029   4.357
  182    HB   VAL  30           HB       VAL  30   2.413  -4.075   3.622
  183   1HG1  VAL  30          1HG1      VAL  30  -0.079  -3.827   1.942
  184   2HG1  VAL  30          2HG1      VAL  30  -0.151  -3.887   3.703
  185   3HG1  VAL  30          3HG1      VAL  30   0.530  -5.241   2.800
  186   1HG2  VAL  30          1HG2      VAL  30   1.840  -4.122   0.845
  187   2HG2  VAL  30          2HG2      VAL  30   3.428  -4.085   1.611
  188   3HG2  VAL  30          3HG2      VAL  30   2.631  -2.577   1.163
  189    H    TYR  31           H        TYR  31   3.822  -2.821   4.589
  190    HA   TYR  31           HA       TYR  31   5.326  -0.384   4.587
  191   1HB   TYR  31          2HB       TYR  31   5.515  -2.897   5.685
  192   2HB   TYR  31          1HB       TYR  31   6.818  -2.938   4.497
  193    HD1  TYR  31           1HD      TYR  31   8.053  -0.431   4.402
  194    HD2  TYR  31           2HD      TYR  31   6.233  -2.303   7.814
  195    HE1  TYR  31           1HE      TYR  31   9.465   0.941   5.907
  196    HE2  TYR  31           2HE      TYR  31   7.646  -0.930   9.319
  197    HH   TYR  31           HH       TYR  31   8.890   1.566   8.902
  198    H    ALA  32           H        ALA  32   6.600   0.540   3.010
  199    HA   ALA  32           HA       ALA  32   6.447  -0.221   0.273
  200   1HB   ALA  32          1HB       ALA  32   8.418   1.402   0.118
  201   2HB   ALA  32          2HB       ALA  32   8.364   1.490   1.879
  202   3HB   ALA  32          3HB       ALA  32   6.981   2.027   0.926
  203    H    ARG  33           H        ARG  33   7.547  -1.760  -0.875
  204    HA   ARG  33           HA       ARG  33  10.057  -2.914   0.308
  205   1HB   ARG  33          2HB       ARG  33   7.514  -4.098  -0.676
  206   2HB   ARG  33          1HB       ARG  33   8.986  -4.952  -1.135
  207   1HG   ARG  33          2HG       ARG  33   9.025  -4.129   1.669
  208   2HG   ARG  33          1HG       ARG  33   7.657  -5.180   1.302
  209   1HD   ARG  33          2HD       ARG  33  10.404  -5.907   0.291
  210   2HD   ARG  33          1HD       ARG  33   9.936  -6.295   1.958
  211    HE   ARG  33           HE       ARG  33   7.780  -7.247   0.689
  212   1HH1  ARG  33          1HH2      ARG  33  10.157  -9.055   1.324
  213   2HH1  ARG  33          2HH2      ARG  33  10.421  -9.813  -0.211
  214   1HH2  ARG  33          1HH1      ARG  33   8.517  -7.505  -1.977
  215   2HH2  ARG  33          2HH1      ARG  33   9.492  -8.933  -2.084
  216    HA   PRO  34           HA       PRO  34  11.391  -1.486  -3.764
  217   1HB   PRO  34          2HB       PRO  34  14.068  -1.825  -3.299
  218   2HB   PRO  34          1HB       PRO  34  13.156  -0.413  -2.726
  219   1HG   PRO  34          2HG       PRO  34  14.017  -2.841  -1.239
  220   2HG   PRO  34          1HG       PRO  34  13.954  -1.154  -0.708
  221   1HD   PRO  34          2HD       PRO  34  12.081  -3.022  -0.033
  222   2HD   PRO  34          1HD       PRO  34  11.745  -1.280  -0.134
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1  -5.719  13.251   4.904
    2   2H    GLY   1          2HT       GLY   1  -5.828  11.663   4.311
    3   3H    GLY   1          3HT       GLY   1  -5.312  12.919   3.291
    4   1HA   GLY   1          2HA       GLY   1  -3.287  13.187   4.476
    5   2HA   GLY   1          1HA       GLY   1  -3.843  12.075   5.727
    6    H    CYS   2           H        CYS   2  -2.518  10.310   5.517
    7    HA   CYS   2           HA       CYS   2  -2.337   9.043   2.800
    8   1HB   CYS   2          2HB       CYS   2  -0.043   8.461   3.350
    9   2HB   CYS   2          1HB       CYS   2  -0.254  10.185   3.632
   10    H    GLY   3           H        GLY   3  -1.566   6.620   3.146
   11   1HA   GLY   3          2HA       GLY   3  -2.912   5.445   5.537
   12   2HA   GLY   3          1HA       GLY   3  -3.323   4.858   3.927
   13    H    GLY   4           H        GLY   4  -1.847   3.670   6.377
   14   1HA   GLY   4          2HA       GLY   4   0.261   2.345   4.764
   15   2HA   GLY   4          1HA       GLY   4   0.756   3.104   6.276
   16    H    LEU   5           H        LEU   5   0.773   0.231   5.551
   17    HA   LEU   5           HA       LEU   5   0.289  -1.837   6.570
   18   1HB   LEU   5          2HB       LEU   5   0.367   0.239   8.566
   19   2HB   LEU   5          1HB       LEU   5  -0.845  -0.951   9.031
   20    HG   LEU   5           HG       LEU   5   1.347  -1.588   9.925
   21   1HD1  LEU   5          1HD1      LEU   5   1.022  -3.798   9.484
   22   2HD1  LEU   5          2HD1      LEU   5   1.140  -3.565   7.739
   23   3HD1  LEU   5          3HD1      LEU   5  -0.377  -3.228   8.574
   24   1HD2  LEU   5          1HD2      LEU   5   3.267  -1.439   8.731
   25   2HD2  LEU   5          2HD2      LEU   5   2.325  -0.513   7.562
   26   3HD2  LEU   5          3HD2      LEU   5   2.555  -2.247   7.334
   27    H    MET   6           H        MET   6  -1.433  -2.430   5.156
   28    HA   MET   6           HA       MET   6  -3.627  -3.084   4.617
   29   1HB   MET   6          2HB       MET   6  -3.342  -3.063   7.528
   30   2HB   MET   6          1HB       MET   6  -5.014  -2.819   7.025
   31   1HG   MET   6          2HG       MET   6  -5.167  -4.897   6.035
   32   2HG   MET   6          1HG       MET   6  -3.451  -4.951   5.636
   33   1HE   MET   6          1HE       MET   6  -1.748  -4.551   8.149
   34   2HE   MET   6          2HE       MET   6  -1.692  -5.750   6.859
   35   3HE   MET   6          3HE       MET   6  -1.630  -6.272   8.541
   36    H    ALA   7           H        ALA   7  -2.902  -0.304   4.253
   37    HA   ALA   7           HA       ALA   7  -5.256   1.282   5.105
   38   1HB   ALA   7          1HB       ALA   7  -3.267   2.503   5.220
   39   2HB   ALA   7          2HB       ALA   7  -3.862   2.976   3.629
   40   3HB   ALA   7          3HB       ALA   7  -2.605   1.748   3.771
   41    H    GLY   8           H        GLY   8  -7.085   0.977   3.878
   42   1HA   GLY   8          2HA       GLY   8  -7.303  -0.176   1.338
   43   2HA   GLY   8          1HA       GLY   8  -8.477   0.969   1.983
   44    H    CYS   9           H        CYS   9  -6.112   0.476  -0.394
   45    HA   CYS   9           HA       CYS   9  -5.930   3.403  -0.995
   46   1HB   CYS   9          2HB       CYS   9  -3.978   2.573  -2.437
   47   2HB   CYS   9          1HB       CYS   9  -3.770   2.432  -0.695
   48    H    ASP  10           H        ASP  10  -6.521   0.226  -2.480
   49    HA   ASP  10           HA       ASP  10  -7.664  -0.396  -4.443
   50   1HB   ASP  10          2HB       ASP  10  -9.014   2.290  -4.035
   51   2HB   ASP  10          1HB       ASP  10  -9.698   0.860  -4.802
   52    H    GLY  11           H        GLY  11  -5.444   0.107  -5.515
   53   1HA   GLY  11          2HA       GLY  11  -5.318   0.856  -7.991
   54   2HA   GLY  11          1HA       GLY  11  -5.651   2.460  -7.336
   55    H    LYS  12           H        LYS  12  -3.190   0.730  -8.502
   56    HA   LYS  12           HA       LYS  12  -1.104   1.005  -6.526
   57   1HB   LYS  12          2HB       LYS  12   0.355   0.551  -8.451
   58   2HB   LYS  12          1HB       LYS  12  -1.066  -0.488  -8.522
   59   1HG   LYS  12          2HG       LYS  12  -1.772   1.896  -9.878
   60   2HG   LYS  12          1HG       LYS  12  -0.160   1.464 -10.447
   61   1HD   LYS  12          2HD       LYS  12  -0.876  -0.691 -11.162
   62   2HD   LYS  12          1HD       LYS  12  -2.394  -0.564 -10.274
   63   1HE   LYS  12          2HE       LYS  12  -1.772   1.458 -12.420
   64   2HE   LYS  12          1HE       LYS  12  -2.415  -0.134 -12.867
   65   1HZ   LYS  12          1HZ       LYS  12  -3.604   1.743 -10.889
   66   2HZ   LYS  12          2HZ       LYS  12  -4.189   0.183 -11.226
   67   3HZ   LYS  12          3HZ       LYS  12  -4.228   1.387 -12.424
   68    H    SER  13           H        SER  13  -2.778   3.348  -8.388
   69    HA   SER  13           HA       SER  13  -0.525   5.282  -8.427
   70   1HB   SER  13          2HB       SER  13  -2.300   4.803 -10.274
   71   2HB   SER  13          1HB       SER  13  -3.383   5.762  -9.269
   72    HG   SER  13           HG       SER  13  -2.194   6.973 -10.877
   73    H    THR  14           H        THR  14  -2.325   4.266  -5.968
   74    HA   THR  14           HA       THR  14  -3.617   6.676  -4.983
   75    HB   THR  14           HB       THR  14  -4.158   4.270  -4.396
   76    HG1  THR  14           1HG      THR  14  -4.986   5.089  -2.667
   77   1HG2  THR  14          1HG2      THR  14  -2.536   2.922  -3.628
   78   2HG2  THR  14          2HG2      THR  14  -2.276   3.991  -2.251
   79   3HG2  THR  14          3HG2      THR  14  -1.383   4.249  -3.751
   80    H    PHE  15           H        PHE  15  -2.781   7.178  -2.483
   81    HA   PHE  15           HA       PHE  15   0.165   7.707  -2.654
   82   1HB   PHE  15          2HB       PHE  15  -1.996   9.533  -2.810
   83   2HB   PHE  15          1HB       PHE  15  -1.289   9.751  -1.209
   84    HD1  PHE  15           1HD      PHE  15   1.505   9.373  -1.433
   85    HD2  PHE  15           2HD      PHE  15  -1.161  11.076  -4.341
   86    HE1  PHE  15           1HE      PHE  15   3.397  10.618  -2.438
   87    HE2  PHE  15           2HE      PHE  15   0.733  12.321  -5.346
   88    HZ   PHE  15           HZ       PHE  15   3.012  12.093  -4.395
   89    H    CYS  16           H        CYS  16   0.715   6.077  -1.152
   90    HA   CYS  16           HA       CYS  16  -0.709   5.743   1.377
   91   1HB   CYS  16          2HB       CYS  16   1.930   4.718   0.276
   92   2HB   CYS  16          1HB       CYS  16   1.197   4.148   1.775
   93    H    CYS  17           H        CYS  17   1.216   5.558   3.316
   94    HA   CYS  17           HA       CYS  17   1.824   8.364   3.877
   95   1HB   CYS  17          2HB       CYS  17   2.304   5.737   5.312
   96   2HB   CYS  17          1HB       CYS  17   2.709   7.304   6.010
   97    H    SER  18           H        SER  18   4.220   5.967   4.794
   98    HA   SER  18           HA       SER  18   6.123   6.965   2.729
   99   1HB   SER  18          2HB       SER  18   7.748   7.406   4.622
  100   2HB   SER  18          1HB       SER  18   6.362   8.492   4.585
  101    HG   SER  18           HG       SER  18   7.130   6.721   6.486
  102    H    GLY  19           H        GLY  19   6.825   5.069   1.825
  103   1HA   GLY  19          2HA       GLY  19   8.123   3.078   1.790
  104   2HA   GLY  19          1HA       GLY  19   8.076   3.046   3.552
  105    H    TYR  20           H        TYR  20   5.254   3.277   1.393
  106    HA   TYR  20           HA       TYR  20   4.468   0.506   2.230
  107   1HB   TYR  20          2HB       TYR  20   2.811   3.049   2.214
  108   2HB   TYR  20          1HB       TYR  20   2.150   1.440   2.494
  109    HD1  TYR  20           1HD      TYR  20   3.432   0.024   4.356
  110    HD2  TYR  20           2HD      TYR  20   3.470   4.306   4.062
  111    HE1  TYR  20           1HE      TYR  20   4.057   0.180   6.748
  112    HE2  TYR  20           2HE      TYR  20   4.096   4.463   6.457
  113    HH   TYR  20           HH       TYR  20   3.674   2.643   8.588
  114    H    ASN  21           H        ASN  21   3.248  -0.642   0.654
  115    HA   ASN  21           HA       ASN  21   3.015   0.688  -2.029
  116   1HB   ASN  21          2HB       ASN  21   4.844  -0.856  -2.074
  117   2HB   ASN  21          1HB       ASN  21   3.931  -2.068  -1.176
  118   1HD2  ASN  21          1HD2      ASN  21   3.638  -0.208  -4.271
  119   2HD2  ASN  21          2HD2      ASN  21   3.001  -1.510  -5.154
  120    H    CYS  22           H        CYS  22   0.957   0.668  -2.834
  121    HA   CYS  22           HA       CYS  22  -1.248  -0.560  -1.423
  122   1HB   CYS  22          2HB       CYS  22  -1.439   1.498  -2.742
  123   2HB   CYS  22          1HB       CYS  22  -0.967   0.632  -4.203
  124    H    SER  23           H        SER  23  -1.774  -2.703  -1.513
  125    HA   SER  23           HA       SER  23  -0.593  -4.515  -3.466
  126   1HB   SER  23          2HB       SER  23  -2.769  -4.851  -1.375
  127   2HB   SER  23          1HB       SER  23  -1.967  -6.176  -2.216
  128    HG   SER  23           HG       SER  23  -0.273  -5.909  -0.989
  129    HA   PRO  24           HA       PRO  24  -3.821  -3.899  -6.476
  130   1HB   PRO  24          2HB       PRO  24  -3.031  -5.869  -8.205
  131   2HB   PRO  24          1HB       PRO  24  -2.210  -4.301  -8.084
  132   1HG   PRO  24          2HG       PRO  24  -1.436  -6.933  -6.936
  133   2HG   PRO  24          1HG       PRO  24  -0.421  -5.666  -7.641
  134   1HD   PRO  24          2HD       PRO  24  -0.695  -6.062  -4.954
  135   2HD   PRO  24          1HD       PRO  24  -0.302  -4.491  -5.685
  136    H    THR  25           H        THR  25  -3.123  -6.942  -4.856
  137    HA   THR  25           HA       THR  25  -5.721  -8.113  -5.720
  138    HB   THR  25           HB       THR  25  -3.477  -9.272  -4.039
  139    HG1  THR  25           1HG      THR  25  -3.938  -9.492  -6.830
  140   1HG2  THR  25          1HG2      THR  25  -5.669 -10.591  -5.665
  141   2HG2  THR  25          2HG2      THR  25  -5.647 -10.455  -3.906
  142   3HG2  THR  25          3HG2      THR  25  -4.429 -11.426  -4.731
  143    H    TRP  26           H        TRP  26  -4.002  -7.019  -2.813
  144    HA   TRP  26           HA       TRP  26  -6.210  -7.786  -1.019
  145   1HB   TRP  26          2HB       TRP  26  -3.660  -6.193  -0.613
  146   2HB   TRP  26          1HB       TRP  26  -4.707  -6.777   0.671
  147    HD1  TRP  26           HD       TRP  26  -5.161  -9.591  -1.179
  148    HE1  TRP  26           1HE      TRP  26  -3.343 -11.395  -0.902
  149    HE3  TRP  26           3HE      TRP  26  -1.402  -6.760   0.801
  150    HZ2  TRP  26           2HZ      TRP  26  -0.650 -11.612   0.038
  151    HZ3  TRP  26           3HZ      TRP  26   0.777  -7.789   1.378
  152    HH2  TRP  26           HH       TRP  26   1.158 -10.209   0.999
  153    H    LYS  27           H        LYS  27  -5.296  -4.994  -2.876
  154    HA   LYS  27           HA       LYS  27  -6.411  -2.954  -3.207
  155   1HB   LYS  27          2HB       LYS  27  -8.313  -4.766  -2.163
  156   2HB   LYS  27          1HB       LYS  27  -8.543  -3.256  -1.281
  157   1HG   LYS  27          2HG       LYS  27  -9.867  -2.870  -3.152
  158   2HG   LYS  27          1HG       LYS  27  -8.333  -2.183  -3.687
  159   1HD   LYS  27          2HD       LYS  27  -7.950  -4.746  -4.444
  160   2HD   LYS  27          1HD       LYS  27  -9.707  -4.667  -4.574
  161   1HE   LYS  27          2HE       LYS  27  -9.486  -3.578  -6.547
  162   2HE   LYS  27          1HE       LYS  27  -8.649  -2.258  -5.707
  163   1HZ   LYS  27          1HZ       LYS  27  -6.603  -3.588  -5.788
  164   2HZ   LYS  27          2HZ       LYS  27  -7.185  -3.233  -7.345
  165   3HZ   LYS  27          3HZ       LYS  27  -7.412  -4.781  -6.683
  166    H    TRP  28           H        TRP  28  -4.726  -3.713  -0.503
  167    HA   TRP  28           HA       TRP  28  -5.188  -0.986   0.632
  168   1HB   TRP  28          2HB       TRP  28  -4.908  -1.924   2.891
  169   2HB   TRP  28          1HB       TRP  28  -6.256  -2.684   2.060
  170    HD1  TRP  28           HD       TRP  28  -2.446  -3.459   2.214
  171    HE1  TRP  28           1HE      TRP  28  -2.179  -5.978   2.687
  172    HE3  TRP  28           3HE      TRP  28  -7.354  -4.828   2.527
  173    HZ2  TRP  28           2HZ      TRP  28  -3.821  -8.267   3.143
  174    HZ3  TRP  28           3HZ      TRP  28  -7.973  -7.184   2.983
  175    HH2  TRP  28           HH       TRP  28  -6.215  -8.904   3.292
  176    H    CYS  29           H        CYS  29  -3.274  -0.119   1.790
  177    HA   CYS  29           HA       CYS  29  -0.795  -0.796   0.339
  178   1HB   CYS  29          2HB       CYS  29  -1.931   1.522   0.978
  179   2HB   CYS  29          1HB       CYS  29  -1.014   1.303   2.467
  180    H    VAL  30           H        VAL  30   0.909  -1.873   1.221
  181    HA   VAL  30           HA       VAL  30   0.932  -2.361   4.184
  182    HB   VAL  30           HB       VAL  30   1.908  -4.612   3.552
  183   1HG1  VAL  30          1HG1      VAL  30  -0.679  -3.880   3.803
  184   2HG1  VAL  30          2HG1      VAL  30  -0.181  -5.540   3.478
  185   3HG1  VAL  30          3HG1      VAL  30  -0.708  -4.503   2.153
  186   1HG2  VAL  30          1HG2      VAL  30   2.572  -3.763   1.217
  187   2HG2  VAL  30          2HG2      VAL  30   0.879  -3.992   0.776
  188   3HG2  VAL  30          3HG2      VAL  30   1.849  -5.370   1.295
  189    H    TYR  31           H        TYR  31   3.348  -3.343   4.643
  190    HA   TYR  31           HA       TYR  31   5.184  -1.185   4.226
  191   1HB   TYR  31          2HB       TYR  31   5.022  -3.682   5.612
  192   2HB   TYR  31          1HB       TYR  31   6.549  -3.659   4.732
  193    HD1  TYR  31           1HD      TYR  31   8.065  -1.611   4.979
  194    HD2  TYR  31           2HD      TYR  31   4.730  -2.391   7.569
  195    HE1  TYR  31           1HE      TYR  31   9.007  -0.050   6.662
  196    HE2  TYR  31           2HE      TYR  31   5.670  -0.833   9.252
  197    HH   TYR  31           HH       TYR  31   8.345   0.007   9.686
  198    H    ALA  32           H        ALA  32   6.655  -0.799   2.592
  199    HA   ALA  32           HA       ALA  32   6.817  -2.820   0.375
  200   1HB   ALA  32          1HB       ALA  32   5.703  -0.535   0.048
  201   2HB   ALA  32          2HB       ALA  32   6.978  -0.939  -1.101
  202   3HB   ALA  32          3HB       ALA  32   7.311   0.166   0.234
  203    H    ARG  33           H        ARG  33   8.952  -2.241  -0.984
  204    HA   ARG  33           HA       ARG  33  11.300  -2.352  -1.065
  205   1HB   ARG  33          2HB       ARG  33  10.548  -0.107   0.318
  206   2HB   ARG  33          1HB       ARG  33  11.615  -0.889   1.485
  207   1HG   ARG  33          2HG       ARG  33  13.475  -0.611   0.179
  208   2HG   ARG  33          1HG       ARG  33  12.579  -0.828  -1.324
  209   1HD   ARG  33          2HD       ARG  33  11.573   1.558  -0.187
  210   2HD   ARG  33          1HD       ARG  33  13.339   1.645  -0.032
  211    HE   ARG  33           HE       ARG  33  13.413   1.013  -2.499
  212   1HH1  ARG  33          1HH2      ARG  33  12.326   3.834  -1.944
  213   2HH1  ARG  33          2HH2      ARG  33  10.974   3.878  -3.027
  214   1HH2  ARG  33          1HH1      ARG  33  10.924   0.441  -3.526
  215   2HH2  ARG  33          2HH1      ARG  33  10.178   1.953  -3.923
  216    HA   PRO  34           HA       PRO  34  11.344  -5.766   2.012
  217   1HB   PRO  34          2HB       PRO  34  12.405  -7.611   0.289
  218   2HB   PRO  34          1HB       PRO  34  10.665  -7.279   0.401
  219   1HG   PRO  34          2HG       PRO  34  12.646  -6.329  -1.605
  220   2HG   PRO  34          1HG       PRO  34  10.963  -6.831  -1.828
  221   1HD   PRO  34          2HD       PRO  34  11.760  -4.224  -1.757
  222   2HD   PRO  34          1HD       PRO  34  10.138  -4.770  -1.280
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1  -1.559  12.290   1.131
    2   2H    GLY   1          2HT       GLY   1  -2.797  13.388   1.515
    3   3H    GLY   1          3HT       GLY   1  -2.960  12.355   0.177
    4   1HA   GLY   1          2HA       GLY   1  -3.822  11.909   2.778
    5   2HA   GLY   1          1HA       GLY   1  -3.880  10.788   1.418
    6    H    CYS   2           H        CYS   2  -3.145  10.539   4.416
    7    HA   CYS   2           HA       CYS   2  -0.447   9.279   4.069
    8   1HB   CYS   2          2HB       CYS   2  -0.580  11.082   5.715
    9   2HB   CYS   2          1HB       CYS   2  -1.957  10.304   6.494
   10    H    GLY   3           H        GLY   3  -1.285   7.259   3.229
   11   1HA   GLY   3          2HA       GLY   3  -2.887   5.661   5.194
   12   2HA   GLY   3          1HA       GLY   3  -2.945   5.406   3.448
   13    H    GLY   4           H        GLY   4  -1.710   4.086   6.195
   14   1HA   GLY   4          2HA       GLY   4   0.355   2.625   4.656
   15   2HA   GLY   4          1HA       GLY   4   0.901   3.471   6.102
   16    H    LEU   5           H        LEU   5   1.065   0.655   5.785
   17    HA   LEU   5           HA       LEU   5   0.597  -1.342   6.937
   18   1HB   LEU   5          2HB       LEU   5   0.348   0.935   8.733
   19   2HB   LEU   5          1HB       LEU   5  -0.680  -0.397   9.258
   20    HG   LEU   5           HG       LEU   5   1.538  -0.625  10.263
   21   1HD1  LEU   5          1HD1      LEU   5   0.230  -2.653   9.380
   22   2HD1  LEU   5          2HD1      LEU   5   1.950  -2.895   9.688
   23   3HD1  LEU   5          3HD1      LEU   5   1.374  -2.664   8.038
   24   1HD2  LEU   5          1HD2      LEU   5   2.431  -0.365   7.390
   25   2HD2  LEU   5          2HD2      LEU   5   3.453  -1.153   8.593
   26   3HD2  LEU   5          3HD2      LEU   5   2.989   0.536   8.802
   27    H    MET   6           H        MET   6  -1.034  -1.988   5.367
   28    HA   MET   6           HA       MET   6  -3.154  -2.788   4.752
   29   1HB   MET   6          2HB       MET   6  -3.011  -2.730   7.704
   30   2HB   MET   6          1HB       MET   6  -4.649  -2.793   7.055
   31   1HG   MET   6          2HG       MET   6  -4.358  -4.879   6.141
   32   2HG   MET   6          1HG       MET   6  -2.649  -4.609   5.804
   33   1HE   MET   6          1HE       MET   6  -5.322  -4.966   8.464
   34   2HE   MET   6          2HE       MET   6  -4.668  -6.171   9.570
   35   3HE   MET   6          3HE       MET   6  -5.034  -6.621   7.906
   36    H    ALA   7           H        ALA   7  -2.656   0.063   4.489
   37    HA   ALA   7           HA       ALA   7  -5.126   1.444   5.345
   38   1HB   ALA   7          1HB       ALA   7  -3.486   2.838   3.402
   39   2HB   ALA   7          2HB       ALA   7  -2.470   2.112   4.648
   40   3HB   ALA   7          3HB       ALA   7  -3.757   3.228   5.100
   41    H    GLY   8           H        GLY   8  -6.959   1.435   4.102
   42   1HA   GLY   8          2HA       GLY   8  -7.280   0.004   1.698
   43   2HA   GLY   8          1HA       GLY   8  -8.370   1.280   2.234
   44    H    CYS   9           H        CYS   9  -6.068   0.408  -0.106
   45    HA   CYS   9           HA       CYS   9  -5.707   3.253  -0.955
   46   1HB   CYS   9          2HB       CYS   9  -3.775   2.330  -2.226
   47   2HB   CYS   9          1HB       CYS   9  -3.654   2.003  -0.501
   48    H    ASP  10           H        ASP  10  -6.570   0.014  -2.166
   49    HA   ASP  10           HA       ASP  10  -7.662  -0.654  -4.155
   50   1HB   ASP  10          2HB       ASP  10  -9.334   0.584  -2.686
   51   2HB   ASP  10          1HB       ASP  10  -9.070   1.993  -3.714
   52    H    GLY  11           H        GLY  11  -5.579  -0.178  -5.404
   53   1HA   GLY  11          2HA       GLY  11  -5.702   0.688  -7.881
   54   2HA   GLY  11          1HA       GLY  11  -5.760   2.265  -7.092
   55    H    LYS  12           H        LYS  12  -3.676   0.319  -8.637
   56    HA   LYS  12           HA       LYS  12  -1.360   0.194  -6.939
   57   1HB   LYS  12          2HB       LYS  12  -0.211  -0.318  -9.013
   58   2HB   LYS  12          1HB       LYS  12  -1.806  -1.063  -9.081
   59   1HG   LYS  12          2HG       LYS  12  -2.158   1.538 -10.108
   60   2HG   LYS  12          1HG       LYS  12  -0.657   0.953 -10.822
   61   1HD   LYS  12          2HD       LYS  12  -1.700  -0.823 -11.903
   62   2HD   LYS  12          1HD       LYS  12  -3.034  -0.875 -10.750
   63   1HE   LYS  12          2HE       LYS  12  -2.742   1.616 -12.387
   64   2HE   LYS  12          1HE       LYS  12  -3.372   0.166 -13.195
   65   1HZ   LYS  12          1HZ       LYS  12  -4.380   1.305 -10.637
   66   2HZ   LYS  12          2HZ       LYS  12  -4.963  -0.105 -11.385
   67   3HZ   LYS  12          3HZ       LYS  12  -5.164   1.406 -12.137
   68    H    SER  13           H        SER  13  -2.896   2.892  -8.430
   69    HA   SER  13           HA       SER  13  -0.395   4.534  -8.216
   70   1HB   SER  13          2HB       SER  13  -1.700   4.225 -10.422
   71   2HB   SER  13          1HB       SER  13  -2.952   5.220  -9.683
   72    HG   SER  13           HG       SER  13  -0.375   5.881 -10.522
   73    H    THR  14           H        THR  14  -2.226   3.800  -5.957
   74    HA   THR  14           HA       THR  14  -3.918   6.070  -5.318
   75    HB   THR  14           HB       THR  14  -4.118   3.708  -4.468
   76    HG1  THR  14           1HG      THR  14  -4.745   4.371  -2.431
   77   1HG2  THR  14          1HG2      THR  14  -1.411   4.123  -3.786
   78   2HG2  THR  14          2HG2      THR  14  -2.393   2.704  -3.430
   79   3HG2  THR  14          3HG2      THR  14  -2.281   4.015  -2.255
   80    H    PHE  15           H        PHE  15  -3.296   6.850  -2.782
   81    HA   PHE  15           HA       PHE  15  -0.539   8.024  -2.968
   82   1HB   PHE  15          2HB       PHE  15  -2.887   9.351  -3.364
   83   2HB   PHE  15          1HB       PHE  15  -2.705   9.550  -1.621
   84    HD1  PHE  15           1HD      PHE  15  -1.301  11.230  -0.783
   85    HD2  PHE  15           2HD      PHE  15  -0.768   9.849  -4.815
   86    HE1  PHE  15           1HE      PHE  15   0.407  12.989  -1.159
   87    HE2  PHE  15           2HE      PHE  15   0.939  11.608  -5.192
   88    HZ   PHE  15           HZ       PHE  15   1.527  13.177  -3.364
   89    H    CYS  16           H        CYS  16   0.309   6.480  -1.453
   90    HA   CYS  16           HA       CYS  16  -0.967   6.097   1.170
   91   1HB   CYS  16          2HB       CYS  16   1.686   5.252  -0.047
   92   2HB   CYS  16          1HB       CYS  16   1.101   4.706   1.526
   93    H    CYS  17           H        CYS  17   0.995   6.243   3.035
   94    HA   CYS  17           HA       CYS  17   1.445   9.125   3.300
   95   1HB   CYS  17          2HB       CYS  17   0.829   7.227   5.045
   96   2HB   CYS  17          1HB       CYS  17   2.580   7.061   5.159
   97    H    SER  18           H        SER  18   3.831   6.550   3.956
   98    HA   SER  18           HA       SER  18   5.735   7.576   1.977
   99   1HB   SER  18          2HB       SER  18   7.360   8.290   3.762
  100   2HB   SER  18          1HB       SER  18   5.910   9.287   3.700
  101    HG   SER  18           HG       SER  18   6.584   8.526   5.837
  102    H    GLY  19           H        GLY  19   6.864   5.786   1.337
  103   1HA   GLY  19          2HA       GLY  19   8.083   3.775   1.488
  104   2HA   GLY  19          1HA       GLY  19   8.010   3.916   3.244
  105    H    TYR  20           H        TYR  20   5.084   4.004   1.287
  106    HA   TYR  20           HA       TYR  20   4.412   1.246   2.260
  107   1HB   TYR  20          2HB       TYR  20   2.769   3.796   2.169
  108   2HB   TYR  20          1HB       TYR  20   2.063   2.209   2.467
  109    HD1  TYR  20           1HD      TYR  20   3.927   0.852   4.200
  110    HD2  TYR  20           2HD      TYR  20   2.811   4.995   4.165
  111    HE1  TYR  20           1HE      TYR  20   4.526   1.031   6.598
  112    HE2  TYR  20           2HE      TYR  20   3.414   5.180   6.562
  113    HH   TYR  20           HH       TYR  20   5.250   3.519   8.131
  114    H    ASN  21           H        ASN  21   3.895  -0.107   0.587
  115    HA   ASN  21           HA       ASN  21   3.202   1.083  -2.069
  116   1HB   ASN  21          2HB       ASN  21   5.189  -0.338  -1.979
  117   2HB   ASN  21          1HB       ASN  21   4.270  -1.623  -1.194
  118   1HD2  ASN  21          1HD2      ASN  21   3.026  -3.025  -2.532
  119   2HD2  ASN  21          2HD2      ASN  21   2.937  -2.866  -4.220
  120    H    CYS  22           H        CYS  22   1.160   0.746  -2.885
  121    HA   CYS  22           HA       CYS  22  -0.815  -0.729  -1.271
  122   1HB   CYS  22          2HB       CYS  22  -1.514   1.364  -2.164
  123   2HB   CYS  22          1HB       CYS  22  -0.846   0.998  -3.754
  124    H    SER  23           H        SER  23  -1.459  -2.804  -1.701
  125    HA   SER  23           HA       SER  23  -0.343  -4.198  -4.071
  126   1HB   SER  23          2HB       SER  23  -0.694  -4.849  -1.425
  127   2HB   SER  23          1HB       SER  23  -2.096  -5.619  -2.160
  128    HG   SER  23           HG       SER  23  -0.779  -7.085  -2.853
  129    HA   PRO  24           HA       PRO  24  -4.232  -3.785  -6.177
  130   1HB   PRO  24          2HB       PRO  24  -3.761  -5.575  -8.194
  131   2HB   PRO  24          1HB       PRO  24  -3.039  -3.955  -8.148
  132   1HG   PRO  24          2HG       PRO  24  -1.840  -6.583  -7.444
  133   2HG   PRO  24          1HG       PRO  24  -1.107  -5.185  -8.245
  134   1HD   PRO  24          2HD       PRO  24  -0.725  -5.811  -5.606
  135   2HD   PRO  24          1HD       PRO  24  -0.580  -4.169  -6.271
  136    H    THR  25           H        THR  25  -2.951  -6.908  -5.130
  137    HA   THR  25           HA       THR  25  -5.537  -8.288  -5.461
  138    HB   THR  25           HB       THR  25  -3.024  -9.216  -4.043
  139    HG1  THR  25           1HG      THR  25  -3.660  -9.403  -6.804
  140   1HG2  THR  25          1HG2      THR  25  -4.034 -11.353  -5.373
  141   2HG2  THR  25          2HG2      THR  25  -5.519 -10.461  -5.043
  142   3HG2  THR  25          3HG2      THR  25  -4.469 -10.948  -3.712
  143    H    TRP  26           H        TRP  26  -3.578  -6.897  -2.854
  144    HA   TRP  26           HA       TRP  26  -5.440  -7.829  -0.754
  145   1HB   TRP  26          2HB       TRP  26  -3.010  -6.008  -0.690
  146   2HB   TRP  26          1HB       TRP  26  -3.814  -6.698   0.713
  147    HD1  TRP  26           HD       TRP  26  -4.217  -9.559  -1.056
  148    HE1  TRP  26           1HE      TRP  26  -2.198 -11.158  -1.050
  149    HE3  TRP  26           3HE      TRP  26  -0.527  -6.321   0.359
  150    HZ2  TRP  26           2HZ      TRP  26   0.608 -11.081  -0.513
  151    HZ3  TRP  26           3HZ      TRP  26   1.808  -7.113   0.610
  152    HH2  TRP  26           HH       TRP  26   2.380  -9.486   0.176
  153    H    LYS  27           H        LYS  27  -4.902  -4.989  -2.706
  154    HA   LYS  27           HA       LYS  27  -6.115  -2.996  -2.914
  155   1HB   LYS  27          2HB       LYS  27  -7.978  -4.284  -0.895
  156   2HB   LYS  27          1HB       LYS  27  -8.373  -2.990  -2.022
  157   1HG   LYS  27          2HG       LYS  27  -7.454  -5.748  -2.886
  158   2HG   LYS  27          1HG       LYS  27  -9.145  -5.265  -2.776
  159   1HD   LYS  27          2HD       LYS  27  -7.338  -3.467  -4.316
  160   2HD   LYS  27          1HD       LYS  27  -7.732  -5.021  -5.050
  161   1HE   LYS  27          2HE       LYS  27 -10.140  -4.551  -4.801
  162   2HE   LYS  27          1HE       LYS  27  -9.759  -2.995  -4.038
  163   1HZ   LYS  27          1HZ       LYS  27  -8.931  -3.858  -6.761
  164   2HZ   LYS  27          2HZ       LYS  27  -8.483  -2.394  -6.022
  165   3HZ   LYS  27          3HZ       LYS  27 -10.110  -2.693  -6.405
  166    H    TRP  28           H        TRP  28  -4.198  -3.621  -0.425
  167    HA   TRP  28           HA       TRP  28  -4.914  -1.059   0.944
  168   1HB   TRP  28          2HB       TRP  28  -4.387  -2.069   3.097
  169   2HB   TRP  28          1HB       TRP  28  -5.605  -3.040   2.285
  170    HD1  TRP  28           HD       TRP  28  -1.708  -3.081   2.152
  171    HE1  TRP  28           1HE      TRP  28  -0.940  -5.515   2.501
  172    HE3  TRP  28           3HE      TRP  28  -6.237  -5.358   2.774
  173    HZ2  TRP  28           2HZ      TRP  28  -2.088  -8.085   2.992
  174    HZ3  TRP  28           3HZ      TRP  28  -6.369  -7.798   3.184
  175    HH2  TRP  28           HH       TRP  28  -4.303  -9.163   3.294
  176    H    CYS  29           H        CYS  29  -2.986  -0.138   2.164
  177    HA   CYS  29           HA       CYS  29  -0.519  -0.511   0.517
  178   1HB   CYS  29          2HB       CYS  29  -1.903   1.698   0.891
  179   2HB   CYS  29          1HB       CYS  29  -1.045   1.752   2.430
  180    H    VAL  30           H        VAL  30   1.325  -1.294   1.467
  181    HA   VAL  30           HA       VAL  30   1.531  -1.335   4.458
  182    HB   VAL  30           HB       VAL  30   2.532  -3.688   4.082
  183   1HG1  VAL  30          1HG1      VAL  30   0.391  -3.451   5.144
  184   2HG1  VAL  30          2HG1      VAL  30   0.223  -4.706   3.916
  185   3HG1  VAL  30          3HG1      VAL  30  -0.394  -3.082   3.608
  186   1HG2  VAL  30          1HG2      VAL  30   0.919  -3.553   1.523
  187   2HG2  VAL  30          2HG2      VAL  30   2.000  -4.838   2.061
  188   3HG2  VAL  30          3HG2      VAL  30   2.663  -3.288   1.544
  189    H    TYR  31           H        TYR  31   3.899  -1.955   5.076
  190    HA   TYR  31           HA       TYR  31   5.743  -0.084   4.107
  191   1HB   TYR  31          2HB       TYR  31   7.410  -1.448   5.263
  192   2HB   TYR  31          1HB       TYR  31   5.910  -1.467   6.184
  193    HD1  TYR  31           1HD      TYR  31   8.147  -3.425   3.997
  194    HD2  TYR  31           2HD      TYR  31   4.554  -3.487   6.350
  195    HE1  TYR  31           1HE      TYR  31   8.101  -5.898   3.864
  196    HE2  TYR  31           2HE      TYR  31   4.507  -5.961   6.213
  197    HH   TYR  31           HH       TYR  31   6.795  -7.815   5.683
  198    H    ALA  32           H        ALA  32   7.293  -0.054   2.459
  199    HA   ALA  32           HA       ALA  32   7.121  -2.275   0.446
  200   1HB   ALA  32          1HB       ALA  32   8.043   0.540  -0.100
  201   2HB   ALA  32          2HB       ALA  32   6.321   0.188   0.044
  202   3HB   ALA  32          3HB       ALA  32   7.283  -0.605  -1.202
  203    H    ARG  33           H        ARG  33   9.240  -2.189  -1.003
  204    HA   ARG  33           HA       ARG  33  11.644  -1.896   0.773
  205   1HB   ARG  33          2HB       ARG  33  10.691  -4.148  -1.000
  206   2HB   ARG  33          1HB       ARG  33  12.397  -3.993  -0.580
  207   1HG   ARG  33          2HG       ARG  33  12.057  -4.653   1.567
  208   2HG   ARG  33          1HG       ARG  33  10.556  -3.735   1.711
  209   1HD   ARG  33          2HD       ARG  33   9.428  -5.498   0.293
  210   2HD   ARG  33          1HD       ARG  33  10.918  -6.456   0.411
  211    HE   ARG  33           HE       ARG  33  10.030  -5.527   3.016
  212   1HH1  ARG  33          1HH1      ARG  33   7.686  -6.945   1.588
  213   2HH1  ARG  33          2HH1      ARG  33   7.880  -8.558   2.188
  214   1HH2  ARG  33          1HH2      ARG  33  11.107  -8.018   3.356
  215   2HH2  ARG  33          2HH2      ARG  33   9.822  -9.167   3.192
  216    HA   PRO  34           HA       PRO  34  12.131   0.246  -3.359
  217   1HB   PRO  34          2HB       PRO  34  12.800   2.710  -2.365
  218   2HB   PRO  34          1HB       PRO  34  11.125   2.214  -2.680
  219   1HG   PRO  34          2HG       PRO  34  12.612   2.331  -0.107
  220   2HG   PRO  34          1HG       PRO  34  10.919   2.716  -0.454
  221   1HD   PRO  34          2HD       PRO  34  11.740   0.384   0.712
  222   2HD   PRO  34          1HD       PRO  34  10.245   0.545  -0.237
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1  -3.487  12.882   5.034
    2   2H    GLY   1          2HT       GLY   1  -3.990  12.014   6.407
    3   3H    GLY   1          3HT       GLY   1  -5.118  12.906   5.501
    4   1HA   GLY   1          2HA       GLY   1  -5.275  10.510   5.068
    5   2HA   GLY   1          1HA       GLY   1  -4.873  11.445   3.628
    6    H    CYS   2           H        CYS   2  -3.285   9.696   6.318
    7    HA   CYS   2           HA       CYS   2  -1.009   9.077   4.469
    8   1HB   CYS   2          2HB       CYS   2  -1.244   9.974   7.179
    9   2HB   CYS   2          1HB       CYS   2  -0.517   8.368   7.204
   10    H    GLY   3           H        GLY   3  -1.720   7.181   3.443
   11   1HA   GLY   3          2HA       GLY   3  -2.938   5.022   5.049
   12   2HA   GLY   3          1HA       GLY   3  -2.733   5.019   3.298
   13    H    GLY   4           H        GLY   4  -1.462   3.864   6.237
   14   1HA   GLY   4          2HA       GLY   4   0.853   2.708   4.762
   15   2HA   GLY   4          1HA       GLY   4   1.150   3.524   6.296
   16    H    LEU   5           H        LEU   5   1.322   0.603   5.353
   17    HA   LEU   5           HA       LEU   5   1.044  -1.511   6.342
   18   1HB   LEU   5          2HB       LEU   5   0.975   0.514   8.429
   19   2HB   LEU   5          1HB       LEU   5  -0.010  -0.875   8.879
   20    HG   LEU   5           HG       LEU   5   2.379  -1.087   9.595
   21   1HD1  LEU   5          1HD1      LEU   5   1.087  -3.112   9.271
   22   2HD1  LEU   5          2HD1      LEU   5   2.708  -3.380   8.628
   23   3HD1  LEU   5          3HD1      LEU   5   1.365  -3.062   7.530
   24   1HD2  LEU   5          1HD2      LEU   5   4.069  -0.660   8.165
   25   2HD2  LEU   5          2HD2      LEU   5   2.868  -0.149   6.979
   26   3HD2  LEU   5          3HD2      LEU   5   3.432  -1.820   6.998
   27    H    MET   6           H        MET   6  -0.681  -2.209   4.996
   28    HA   MET   6           HA       MET   6  -2.847  -2.994   4.519
   29   1HB   MET   6          2HB       MET   6  -2.283  -3.620   7.066
   30   2HB   MET   6          1HB       MET   6  -3.643  -2.538   7.363
   31   1HG   MET   6          2HG       MET   6  -5.021  -4.250   6.868
   32   2HG   MET   6          1HG       MET   6  -4.441  -4.163   5.206
   33   1HE   MET   6          1HE       MET   6  -5.439  -5.989   7.591
   34   2HE   MET   6          2HE       MET   6  -4.279  -7.130   8.265
   35   3HE   MET   6          3HE       MET   6  -5.094  -7.507   6.749
   36    H    ALA   7           H        ALA   7  -2.367  -0.203   4.121
   37    HA   ALA   7           HA       ALA   7  -4.714   1.262   5.172
   38   1HB   ALA   7          1HB       ALA   7  -2.544   2.020   3.189
   39   2HB   ALA   7          2HB       ALA   7  -2.445   2.259   4.933
   40   3HB   ALA   7          3HB       ALA   7  -3.652   3.135   3.991
   41    H    GLY   8           H        GLY   8  -6.624   1.443   4.042
   42   1HA   GLY   8          2HA       GLY   8  -7.241  -0.083   1.756
   43   2HA   GLY   8          1HA       GLY   8  -8.169   1.322   2.276
   44    H    CYS   9           H        CYS   9  -6.219   0.090  -0.176
   45    HA   CYS   9           HA       CYS   9  -5.487   2.798  -1.210
   46   1HB   CYS   9          2HB       CYS   9  -3.601   1.368  -1.116
   47   2HB   CYS   9          1HB       CYS   9  -4.531  -0.033  -1.639
   48    H    ASP  10           H        ASP  10  -6.306  -0.277  -2.812
   49    HA   ASP  10           HA       ASP  10  -7.739  -0.753  -4.624
   50   1HB   ASP  10          2HB       ASP  10  -9.212  -0.001  -2.609
   51   2HB   ASP  10          1HB       ASP  10  -9.452   1.481  -3.535
   52    H    GLY  11           H        GLY  11  -5.794   0.556  -5.753
   53   1HA   GLY  11          2HA       GLY  11  -6.613   1.797  -8.034
   54   2HA   GLY  11          1HA       GLY  11  -6.610   3.137  -6.886
   55    H    LYS  12           H        LYS  12  -4.765   1.869  -9.218
   56    HA   LYS  12           HA       LYS  12  -2.149   1.596  -8.054
   57   1HB   LYS  12          2HB       LYS  12  -1.414   1.754 -10.374
   58   2HB   LYS  12          1HB       LYS  12  -2.912   0.826 -10.318
   59   1HG   LYS  12          2HG       LYS  12  -3.901   3.350 -10.610
   60   2HG   LYS  12          1HG       LYS  12  -2.384   3.491 -11.497
   61   1HD   LYS  12          2HD       LYS  12  -3.981   2.754 -13.104
   62   2HD   LYS  12          1HD       LYS  12  -3.048   1.319 -12.683
   63   1HE   LYS  12          2HE       LYS  12  -5.319   0.593 -12.591
   64   2HE   LYS  12          1HE       LYS  12  -4.898   0.896 -10.895
   65   1HZ   LYS  12          1HZ       LYS  12  -6.990   1.992 -11.553
   66   2HZ   LYS  12          2HZ       LYS  12  -6.141   2.895 -12.714
   67   3HZ   LYS  12          3HZ       LYS  12  -5.809   3.106 -11.061
   68    H    SER  13           H        SER  13  -4.107   4.397  -8.571
   69    HA   SER  13           HA       SER  13  -1.793   6.248  -8.704
   70   1HB   SER  13          2HB       SER  13  -3.565   7.914  -9.075
   71   2HB   SER  13          1HB       SER  13  -3.807   6.525 -10.128
   72    HG   SER  13           HG       SER  13  -5.504   7.541  -8.413
   73    H    THR  14           H        THR  14  -2.992   4.588  -6.187
   74    HA   THR  14           HA       THR  14  -3.770   6.581  -4.265
   75    HB   THR  14           HB       THR  14  -4.029   4.019  -4.213
   76    HG1  THR  14           1HG      THR  14  -4.600   4.779  -2.337
   77   1HG2  THR  14          1HG2      THR  14  -1.129   4.302  -3.394
   78   2HG2  THR  14          2HG2      THR  14  -1.802   3.283  -4.666
   79   3HG2  THR  14          3HG2      THR  14  -2.106   2.898  -2.972
   80    H    PHE  15           H        PHE  15  -2.443   7.460  -2.508
   81    HA   PHE  15           HA       PHE  15   0.437   7.779  -3.290
   82   1HB   PHE  15          2HB       PHE  15  -1.433   9.528  -1.659
   83   2HB   PHE  15          1HB       PHE  15   0.233   9.932  -2.075
   84    HD1  PHE  15           1HD      PHE  15  -3.174  10.125  -3.112
   85    HD2  PHE  15           2HD      PHE  15   0.842   9.901  -4.616
   86    HE1  PHE  15           1HE      PHE  15  -3.941  11.024  -5.292
   87    HE2  PHE  15           2HE      PHE  15   0.076  10.800  -6.795
   88    HZ   PHE  15           HZ       PHE  15  -2.316  11.361  -7.133
   89    H    CYS  16           H        CYS  16  -1.676   6.619  -0.763
   90    HA   CYS  16           HA       CYS  16  -1.231   5.693   1.353
   91   1HB   CYS  16          2HB       CYS  16   1.525   5.454   0.087
   92   2HB   CYS  16          1HB       CYS  16   0.938   4.516   1.459
   93    H    CYS  17           H        CYS  17   1.264   5.878   2.848
   94    HA   CYS  17           HA       CYS  17   1.122   8.757   3.609
   95   1HB   CYS  17          2HB       CYS  17   0.653   6.891   5.234
   96   2HB   CYS  17          1HB       CYS  17   2.322   6.361   5.040
   97    H    SER  18           H        SER  18   3.960   7.060   4.613
   98    HA   SER  18           HA       SER  18   5.571   8.304   2.416
   99   1HB   SER  18          2HB       SER  18   5.399   9.516   4.721
  100   2HB   SER  18          1HB       SER  18   6.437   8.217   5.305
  101    HG   SER  18           HG       SER  18   6.947  10.214   3.389
  102    H    GLY  19           H        GLY  19   6.280   6.446   1.381
  103   1HA   GLY  19          2HA       GLY  19   7.859   4.667   1.168
  104   2HA   GLY  19          1HA       GLY  19   8.001   4.613   2.924
  105    H    TYR  20           H        TYR  20   5.236   4.266   0.655
  106    HA   TYR  20           HA       TYR  20   4.724   1.559   1.827
  107   1HB   TYR  20          2HB       TYR  20   2.837   3.922   1.592
  108   2HB   TYR  20          1HB       TYR  20   2.270   2.275   1.873
  109    HD1  TYR  20           1HD      TYR  20   3.707   5.229   3.369
  110    HD2  TYR  20           2HD      TYR  20   3.146   1.008   3.905
  111    HE1  TYR  20           1HE      TYR  20   4.217   5.466   5.783
  112    HE2  TYR  20           2HE      TYR  20   3.656   1.244   6.315
  113    HH   TYR  20           HH       TYR  20   3.468   3.836   7.987
  114    H    ASN  21           H        ASN  21   3.722   0.111   0.368
  115    HA   ASN  21           HA       ASN  21   3.423   1.097  -2.453
  116   1HB   ASN  21          2HB       ASN  21   5.362  -0.306  -2.254
  117   2HB   ASN  21          1HB       ASN  21   4.499  -1.468  -1.248
  118   1HD2  ASN  21          1HD2      ASN  21   4.466  -0.089  -4.581
  119   2HD2  ASN  21          2HD2      ASN  21   3.843  -1.489  -5.312
  120    H    CYS  22           H        CYS  22   1.415   0.766  -3.336
  121    HA   CYS  22           HA       CYS  22  -0.724  -0.455  -1.781
  122   1HB   CYS  22          2HB       CYS  22  -1.100   1.465  -3.228
  123   2HB   CYS  22          1HB       CYS  22  -0.505   0.573  -4.628
  124    H    SER  23           H        SER  23  -1.588  -2.503  -2.014
  125    HA   SER  23           HA       SER  23  -0.154  -4.387  -3.828
  126   1HB   SER  23          2HB       SER  23  -1.521  -4.459  -1.204
  127   2HB   SER  23          1HB       SER  23  -1.768  -5.883  -2.209
  128    HG   SER  23           HG       SER  23   0.376  -6.264  -2.211
  129    HA   PRO  24           HA       PRO  24  -3.788  -4.391  -6.393
  130   1HB   PRO  24          2HB       PRO  24  -3.027  -6.415  -8.065
  131   2HB   PRO  24          1HB       PRO  24  -2.363  -4.773  -8.171
  132   1HG   PRO  24          2HG       PRO  24  -1.170  -7.223  -6.998
  133   2HG   PRO  24          1HG       PRO  24  -0.393  -5.891  -7.866
  134   1HD   PRO  24          2HD       PRO  24  -0.354  -6.207  -5.132
  135   2HD   PRO  24          1HD       PRO  24  -0.114  -4.661  -5.973
  136    H    THR  25           H        THR  25  -2.460  -7.479  -5.210
  137    HA   THR  25           HA       THR  25  -5.017  -8.889  -5.420
  138    HB   THR  25           HB       THR  25  -2.332  -9.521  -4.151
  139    HG1  THR  25           1HG      THR  25  -3.558 -10.266  -6.599
  140   1HG2  THR  25          1HG2      THR  25  -3.830 -10.971  -3.055
  141   2HG2  THR  25          2HG2      THR  25  -3.247 -11.928  -4.418
  142   3HG2  THR  25          3HG2      THR  25  -4.835 -11.163  -4.491
  143    H    TRP  26           H        TRP  26  -3.323  -7.062  -2.942
  144    HA   TRP  26           HA       TRP  26  -5.147  -8.076  -0.816
  145   1HB   TRP  26          2HB       TRP  26  -2.787  -6.176  -0.652
  146   2HB   TRP  26          1HB       TRP  26  -3.545  -7.042   0.680
  147    HD1  TRP  26           HD       TRP  26  -1.269  -7.588  -2.345
  148    HE1  TRP  26           1HE      TRP  26  -0.121  -9.882  -2.125
  149    HE3  TRP  26           3HE      TRP  26  -3.737  -9.431   1.730
  150    HZ2  TRP  26           2HZ      TRP  26  -0.224 -12.190  -0.444
  151    HZ3  TRP  26           3HZ      TRP  26  -3.190 -11.677   2.619
  152    HH2  TRP  26           HH       TRP  26  -1.439 -13.059   1.539
  153    H    LYS  27           H        LYS  27  -4.692  -5.324  -2.887
  154    HA   LYS  27           HA       LYS  27  -6.002  -3.406  -3.207
  155   1HB   LYS  27          2HB       LYS  27  -7.660  -5.329  -2.132
  156   2HB   LYS  27          1HB       LYS  27  -7.895  -3.971  -1.032
  157   1HG   LYS  27          2HG       LYS  27  -9.472  -3.531  -2.711
  158   2HG   LYS  27          1HG       LYS  27  -8.095  -2.552  -3.217
  159   1HD   LYS  27          2HD       LYS  27  -7.672  -5.132  -4.304
  160   2HD   LYS  27          1HD       LYS  27  -9.364  -4.739  -4.611
  161   1HE   LYS  27          2HE       LYS  27  -8.840  -2.940  -5.979
  162   2HE   LYS  27          1HE       LYS  27  -7.315  -2.610  -5.134
  163   1HZ   LYS  27          1HZ       LYS  27  -7.832  -5.040  -6.768
  164   2HZ   LYS  27          2HZ       LYS  27  -6.357  -4.589  -6.052
  165   3HZ   LYS  27          3HZ       LYS  27  -6.998  -3.676  -7.333
  166    H    TRP  28           H        TRP  28  -4.080  -3.827  -0.568
  167    HA   TRP  28           HA       TRP  28  -4.768  -1.089   0.439
  168   1HB   TRP  28          2HB       TRP  28  -4.267  -1.871   2.723
  169   2HB   TRP  28          1HB       TRP  28  -5.584  -2.790   2.009
  170    HD1  TRP  28           HD       TRP  28  -1.715  -3.233   1.912
  171    HE1  TRP  28           1HE      TRP  28  -1.195  -5.686   2.500
  172    HE3  TRP  28           3HE      TRP  28  -6.443  -4.974   2.707
  173    HZ2  TRP  28           2HZ      TRP  28  -2.595  -8.067   3.225
  174    HZ3  TRP  28           3HZ      TRP  28  -6.824  -7.334   3.354
  175    HH2  TRP  28           HH       TRP  28  -4.906  -8.883   3.612
  176    H    CYS  29           H        CYS  29  -2.903  -0.004   1.522
  177    HA   CYS  29           HA       CYS  29  -0.400  -0.498   0.019
  178   1HB   CYS  29          2HB       CYS  29  -1.764   1.731   0.582
  179   2HB   CYS  29          1HB       CYS  29  -0.769   1.684   2.035
  180    H    VAL  30           H        VAL  30   1.490  -1.228   0.970
  181    HA   VAL  30           HA       VAL  30   1.499  -1.638   3.947
  182    HB   VAL  30           HB       VAL  30   2.784  -3.738   3.433
  183   1HG1  VAL  30          1HG1      VAL  30   0.863  -4.980   3.195
  184   2HG1  VAL  30          2HG1      VAL  30   0.252  -3.980   1.878
  185   3HG1  VAL  30          3HG1      VAL  30   0.132  -3.413   3.544
  186   1HG2  VAL  30          1HG2      VAL  30   3.372  -2.755   1.060
  187   2HG2  VAL  30          2HG2      VAL  30   1.843  -3.496   0.588
  188   3HG2  VAL  30          3HG2      VAL  30   3.137  -4.493   1.251
  189    H    TYR  31           H        TYR  31   3.902  -2.037   4.671
  190    HA   TYR  31           HA       TYR  31   5.468   0.266   4.107
  191   1HB   TYR  31          2HB       TYR  31   5.507  -1.516   6.024
  192   2HB   TYR  31          1HB       TYR  31   6.631  -2.380   4.974
  193    HD1  TYR  31           1HD      TYR  31   6.039   1.130   6.189
  194    HD2  TYR  31           2HD      TYR  31   8.896  -1.943   5.265
  195    HE1  TYR  31           1HE      TYR  31   7.879   2.618   6.929
  196    HE2  TYR  31           2HE      TYR  31  10.735  -0.455   6.006
  197    HH   TYR  31           HH       TYR  31  10.551   2.702   6.271
  198    H    ALA  32           H        ALA  32   6.895   0.731   2.469
  199    HA   ALA  32           HA       ALA  32   7.058  -0.853   0.090
  200   1HB   ALA  32          1HB       ALA  32   8.602   0.865  -0.609
  201   2HB   ALA  32          2HB       ALA  32   8.999   1.263   1.063
  202   3HB   ALA  32          3HB       ALA  32   7.401   1.645   0.422
  203    H    ARG  33           H        ARG  33   8.401  -2.539  -0.429
  204    HA   ARG  33           HA       ARG  33  10.720  -3.119   1.391
  205   1HB   ARG  33          2HB       ARG  33   8.490  -4.570   1.197
  206   2HB   ARG  33          1HB       ARG  33   9.317  -5.226  -0.215
  207   1HG   ARG  33          2HG       ARG  33  11.205  -5.915   1.115
  208   2HG   ARG  33          1HG       ARG  33  10.592  -5.054   2.528
  209   1HD   ARG  33          2HD       ARG  33   8.794  -7.105   1.297
  210   2HD   ARG  33          1HD       ARG  33  10.183  -7.685   2.236
  211    HE   ARG  33           HE       ARG  33   8.612  -5.537   3.509
  212   1HH1  ARG  33          1HH2      ARG  33  10.399  -7.769   4.740
  213   2HH1  ARG  33          2HH2      ARG  33   9.192  -8.713   5.547
  214   1HH2  ARG  33          1HH1      ARG  33   6.534  -7.241   3.865
  215   2HH2  ARG  33          2HH1      ARG  33   7.000  -8.414   5.051
  216    HA   PRO  34           HA       PRO  34  12.849  -2.606  -2.536
  217   1HB   PRO  34          2HB       PRO  34  15.376  -2.655  -1.497
  218   2HB   PRO  34          1HB       PRO  34  14.331  -1.224  -1.430
  219   1HG   PRO  34          2HG       PRO  34  14.991  -3.183   0.693
  220   2HG   PRO  34          1HG       PRO  34  14.676  -1.446   0.812
  221   1HD   PRO  34          2HD       PRO  34  12.869  -3.437   1.457
  222   2HD   PRO  34          1HD       PRO  34  12.444  -1.753   1.082
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1  -1.188  13.719   5.233
    2   2H    GLY   1          2HT       GLY   1  -2.281  14.924   5.723
    3   3H    GLY   1          3HT       GLY   1  -2.147  14.514   4.080
    4   1HA   GLY   1          2HA       GLY   1  -3.165  12.748   6.243
    5   2HA   GLY   1          1HA       GLY   1  -4.146  13.553   5.017
    6    H    CYS   2           H        CYS   2  -1.857  10.964   5.605
    7    HA   CYS   2           HA       CYS   2  -2.455   9.882   2.867
    8   1HB   CYS   2          2HB       CYS   2  -0.130   9.027   2.900
    9   2HB   CYS   2          1HB       CYS   2  -0.164  10.778   3.090
   10    H    GLY   3           H        GLY   3  -1.809   7.383   2.898
   11   1HA   GLY   3          2HA       GLY   3  -2.814   6.180   5.452
   12   2HA   GLY   3          1HA       GLY   3  -3.352   5.603   3.875
   13    H    GLY   4           H        GLY   4  -1.837   4.200   6.068
   14   1HA   GLY   4          2HA       GLY   4   0.136   2.918   4.319
   15   2HA   GLY   4          1HA       GLY   4   0.841   3.746   5.707
   16    H    LEU   5           H        LEU   5   0.999   0.927   5.307
   17    HA   LEU   5           HA       LEU   5   0.719  -1.084   6.497
   18   1HB   LEU   5          2HB       LEU   5   0.833   1.092   8.293
   19   2HB   LEU   5          1HB       LEU   5  -0.473   0.065   8.882
   20    HG   LEU   5           HG       LEU   5   1.641  -0.646   9.882
   21   1HD1  LEU   5          1HD1      LEU   5  -0.103  -2.348   9.135
   22   2HD1  LEU   5          2HD1      LEU   5   1.530  -2.978   9.352
   23   3HD1  LEU   5          3HD1      LEU   5   0.920  -2.650   7.730
   24   1HD2  LEU   5          1HD2      LEU   5   2.616  -1.229   7.073
   25   2HD2  LEU   5          2HD2      LEU   5   3.538  -1.314   8.573
   26   3HD2  LEU   5          3HD2      LEU   5   3.028   0.250   7.940
   27    H    MET   6           H        MET   6  -0.986  -1.892   5.152
   28    HA   MET   6           HA       MET   6  -3.134  -2.756   4.729
   29   1HB   MET   6          2HB       MET   6  -2.631  -2.775   7.535
   30   2HB   MET   6          1HB       MET   6  -4.315  -2.299   7.316
   31   1HG   MET   6          2HG       MET   6  -4.255  -4.711   7.419
   32   2HG   MET   6          1HG       MET   6  -4.574  -4.259   5.744
   33   1HE   MET   6          1HE       MET   6  -3.950  -6.935   5.976
   34   2HE   MET   6          2HE       MET   6  -3.000  -6.943   7.459
   35   3HE   MET   6          3HE       MET   6  -2.287  -7.537   5.962
   36    H    ALA   7           H        ALA   7  -2.632   0.115   4.303
   37    HA   ALA   7           HA       ALA   7  -5.063   1.546   5.155
   38   1HB   ALA   7          1HB       ALA   7  -3.415   2.687   3.006
   39   2HB   ALA   7          2HB       ALA   7  -2.469   2.198   4.412
   40   3HB   ALA   7          3HB       ALA   7  -3.790   3.349   4.598
   41    H    GLY   8           H        GLY   8  -6.924   1.723   3.922
   42   1HA   GLY   8          2HA       GLY   8  -7.416   0.028   1.699
   43   2HA   GLY   8          1HA       GLY   8  -8.410   1.419   2.129
   44    H    CYS   9           H        CYS   9  -6.438   0.166  -0.245
   45    HA   CYS   9           HA       CYS   9  -5.507   2.794  -1.276
   46   1HB   CYS   9          2HB       CYS   9  -3.796   1.233  -1.449
   47   2HB   CYS   9          1HB       CYS   9  -4.911  -0.110  -1.685
   48    H    ASP  10           H        ASP  10  -7.096  -0.094  -2.667
   49    HA   ASP  10           HA       ASP  10  -8.726  -0.304  -4.357
   50   1HB   ASP  10          2HB       ASP  10  -9.689   1.161  -2.341
   51   2HB   ASP  10          1HB       ASP  10  -9.752   2.401  -3.594
   52    H    GLY  11           H        GLY  11  -6.435   0.456  -5.565
   53   1HA   GLY  11          2HA       GLY  11  -7.012   1.517  -8.004
   54   2HA   GLY  11          1HA       GLY  11  -6.787   2.975  -7.036
   55    H    LYS  12           H        LYS  12  -5.178   1.160  -9.152
   56    HA   LYS  12           HA       LYS  12  -2.657   0.534  -7.947
   57   1HB   LYS  12          2HB       LYS  12  -1.881   0.514 -10.298
   58   2HB   LYS  12          1HB       LYS  12  -3.445  -0.285 -10.139
   59   1HG   LYS  12          2HG       LYS  12  -3.820   2.550 -10.604
   60   2HG   LYS  12          1HG       LYS  12  -2.793   1.859 -11.861
   61   1HD   LYS  12          2HD       LYS  12  -4.451   0.459 -12.644
   62   2HD   LYS  12          1HD       LYS  12  -5.225   0.317 -11.065
   63   1HE   LYS  12          2HE       LYS  12  -5.317   3.072 -12.014
   64   2HE   LYS  12          1HE       LYS  12  -6.074   1.965 -13.175
   65   1HZ   LYS  12          1HZ       LYS  12  -7.727   2.476 -11.582
   66   2HZ   LYS  12          2HZ       LYS  12  -6.663   2.238 -10.279
   67   3HZ   LYS  12          3HZ       LYS  12  -7.193   0.913 -11.202
   68    H    SER  13           H        SER  13  -4.057   3.607  -8.725
   69    HA   SER  13           HA       SER  13  -1.366   4.920  -8.475
   70   1HB   SER  13          2HB       SER  13  -3.638   5.213 -10.292
   71   2HB   SER  13          1HB       SER  13  -3.177   6.747  -9.564
   72    HG   SER  13           HG       SER  13  -1.816   5.119 -11.336
   73    H    THR  14           H        THR  14  -3.068   4.081  -6.230
   74    HA   THR  14           HA       THR  14  -4.555   6.342  -5.186
   75    HB   THR  14           HB       THR  14  -4.723   3.835  -4.650
   76    HG1  THR  14           1HG      THR  14  -5.776   4.509  -2.982
   77   1HG2  THR  14          1HG2      THR  14  -2.317   4.564  -2.956
   78   2HG2  THR  14          2HG2      THR  14  -2.367   3.376  -4.257
   79   3HG2  THR  14          3HG2      THR  14  -3.259   3.086  -2.765
   80    H    PHE  15           H        PHE  15  -3.814   7.143  -2.844
   81    HA   PHE  15           HA       PHE  15  -0.948   8.014  -3.059
   82   1HB   PHE  15          2HB       PHE  15  -2.502   9.828  -3.434
   83   2HB   PHE  15          1HB       PHE  15  -3.453   9.372  -2.022
   84    HD1  PHE  15           1HD      PHE  15  -2.995  10.335   0.068
   85    HD2  PHE  15           2HD      PHE  15  -0.006  10.459  -3.017
   86    HE1  PHE  15           1HE      PHE  15  -1.577  11.779   1.499
   87    HE2  PHE  15           2HE      PHE  15   1.410  11.904  -1.585
   88    HZ   PHE  15           HZ       PHE  15   0.626  12.564   0.673
   89    H    CYS  16           H        CYS  16   0.304   7.124  -1.474
   90    HA   CYS  16           HA       CYS  16  -0.972   6.409   1.148
   91   1HB   CYS  16          2HB       CYS  16   1.295   5.234  -0.481
   92   2HB   CYS  16          1HB       CYS  16   1.034   4.799   1.209
   93    H    CYS  17           H        CYS  17   1.198   6.157   2.761
   94    HA   CYS  17           HA       CYS  17   2.085   8.932   3.112
   95   1HB   CYS  17          2HB       CYS  17   2.584   6.333   4.604
   96   2HB   CYS  17          1HB       CYS  17   3.134   7.908   5.169
   97    H    SER  18           H        SER  18   4.459   6.574   3.987
   98    HA   SER  18           HA       SER  18   6.087   7.054   1.538
   99   1HB   SER  18          2HB       SER  18   6.344   8.386   4.083
  100   2HB   SER  18          1HB       SER  18   7.769   7.388   3.812
  101    HG   SER  18           HG       SER  18   6.732   9.512   2.283
  102    H    GLY  19           H        GLY  19   6.836   5.046   0.950
  103   1HA   GLY  19          2HA       GLY  19   8.070   3.026   1.266
  104   2HA   GLY  19          1HA       GLY  19   7.929   3.237   3.012
  105    H    TYR  20           H        TYR  20   5.072   3.555   1.015
  106    HA   TYR  20           HA       TYR  20   4.161   0.834   1.893
  107   1HB   TYR  20          2HB       TYR  20   2.634   3.462   1.856
  108   2HB   TYR  20          1HB       TYR  20   1.941   1.899   2.284
  109    HD1  TYR  20           1HD      TYR  20   3.419   0.557   4.117
  110    HD2  TYR  20           2HD      TYR  20   3.320   4.820   3.607
  111    HE1  TYR  20           1HE      TYR  20   4.195   0.854   6.452
  112    HE2  TYR  20           2HE      TYR  20   4.097   5.118   5.943
  113    HH   TYR  20           HH       TYR  20   5.589   3.228   7.638
  114    H    ASN  21           H        ASN  21   3.507  -0.374   0.151
  115    HA   ASN  21           HA       ASN  21   2.833   1.077  -2.384
  116   1HB   ASN  21          2HB       ASN  21   4.693  -0.938  -1.744
  117   2HB   ASN  21          1HB       ASN  21   3.418  -1.751  -2.653
  118   1HD2  ASN  21          1HD2      ASN  21   5.320   1.321  -2.826
  119   2HD2  ASN  21          2HD2      ASN  21   5.475   1.296  -4.516
  120    H    CYS  22           H        CYS  22   0.929   0.550  -3.459
  121    HA   CYS  22           HA       CYS  22  -1.183  -0.736  -1.897
  122   1HB   CYS  22          2HB       CYS  22  -1.671   1.206  -3.243
  123   2HB   CYS  22          1HB       CYS  22  -0.985   0.447  -4.680
  124    H    SER  23           H        SER  23  -1.669  -2.887  -1.973
  125    HA   SER  23           HA       SER  23  -0.291  -4.664  -3.865
  126   1HB   SER  23          2HB       SER  23  -1.657  -4.773  -1.307
  127   2HB   SER  23          1HB       SER  23  -2.234  -6.056  -2.364
  128    HG   SER  23           HG       SER  23  -0.132  -6.758  -2.619
  129    HA   PRO  24           HA       PRO  24  -3.669  -4.626  -6.748
  130   1HB   PRO  24          2HB       PRO  24  -2.846  -6.720  -8.303
  131   2HB   PRO  24          1HB       PRO  24  -2.100  -5.111  -8.375
  132   1HG   PRO  24          2HG       PRO  24  -1.138  -7.587  -7.051
  133   2HG   PRO  24          1HG       PRO  24  -0.223  -6.308  -7.861
  134   1HD   PRO  24          2HD       PRO  24  -0.462  -6.572  -5.130
  135   2HD   PRO  24          1HD       PRO  24  -0.065  -5.057  -5.967
  136    H    THR  25           H        THR  25  -2.666  -7.588  -5.085
  137    HA   THR  25           HA       THR  25  -5.187  -8.997  -5.668
  138    HB   THR  25           HB       THR  25  -2.830  -9.638  -3.863
  139    HG1  THR  25           1HG      THR  25  -1.873 -10.282  -5.611
  140   1HG2  THR  25          1HG2      THR  25  -4.671 -11.017  -3.220
  141   2HG2  THR  25          2HG2      THR  25  -3.667 -12.011  -4.275
  142   3HG2  THR  25          3HG2      THR  25  -5.148 -11.283  -4.897
  143    H    TRP  26           H        TRP  26  -3.772  -7.148  -3.015
  144    HA   TRP  26           HA       TRP  26  -6.035  -7.885  -1.213
  145   1HB   TRP  26          2HB       TRP  26  -3.523  -6.273  -0.669
  146   2HB   TRP  26          1HB       TRP  26  -4.605  -6.988   0.523
  147    HD1  TRP  26           HD       TRP  26  -1.808  -7.848  -1.888
  148    HE1  TRP  26           1HE      TRP  26  -1.043 -10.273  -1.470
  149    HE3  TRP  26           3HE      TRP  26  -5.422  -9.359   1.380
  150    HZ2  TRP  26           2HZ      TRP  26  -1.855 -12.553   0.052
  151    HZ3  TRP  26           3HZ      TRP  26  -5.405 -11.660   2.299
  152    HH2  TRP  26           HH       TRP  26  -3.628 -13.258   1.640
  153    H    LYS  27           H        LYS  27  -4.798  -5.221  -3.114
  154    HA   LYS  27           HA       LYS  27  -5.748  -3.139  -3.632
  155   1HB   LYS  27          2HB       LYS  27  -7.810  -4.799  -3.305
  156   2HB   LYS  27          1HB       LYS  27  -8.128  -3.744  -1.928
  157   1HG   LYS  27          2HG       LYS  27  -9.313  -2.851  -3.842
  158   2HG   LYS  27          1HG       LYS  27  -7.962  -1.776  -3.486
  159   1HD   LYS  27          2HD       LYS  27  -7.560  -2.007  -5.727
  160   2HD   LYS  27          1HD       LYS  27  -6.743  -3.478  -5.202
  161   1HE   LYS  27          2HE       LYS  27  -9.431  -4.239  -5.414
  162   2HE   LYS  27          1HE       LYS  27  -9.145  -3.208  -6.831
  163   1HZ   LYS  27          1HZ       LYS  27  -8.474  -5.525  -7.228
  164   2HZ   LYS  27          2HZ       LYS  27  -7.364  -5.422  -5.946
  165   3HZ   LYS  27          3HZ       LYS  27  -7.158  -4.459  -7.331
  166    H    TRP  28           H        TRP  28  -4.143  -3.548  -1.063
  167    HA   TRP  28           HA       TRP  28  -5.036  -0.997   0.213
  168   1HB   TRP  28          2HB       TRP  28  -4.563  -1.989   2.445
  169   2HB   TRP  28          1HB       TRP  28  -5.876  -2.801   1.611
  170    HD1  TRP  28           HD       TRP  28  -2.176  -3.562   0.831
  171    HE1  TRP  28           1HE      TRP  28  -1.689  -5.989   1.517
  172    HE3  TRP  28           3HE      TRP  28  -6.579  -4.733   3.139
  173    HZ2  TRP  28           2HZ      TRP  28  -2.975  -8.143   2.872
  174    HZ3  TRP  28           3HZ      TRP  28  -6.914  -6.983   4.123
  175    HH2  TRP  28           HH       TRP  28  -5.120  -8.687   3.993
  176    H    CYS  29           H        CYS  29  -3.181  -0.133   1.688
  177    HA   CYS  29           HA       CYS  29  -0.650  -0.356   0.137
  178   1HB   CYS  29          2HB       CYS  29  -2.124   1.758   1.094
  179   2HB   CYS  29          1HB       CYS  29  -0.886   1.598   2.340
  180    H    VAL  30           H        VAL  30   1.007  -1.549   0.950
  181    HA   VAL  30           HA       VAL  30   1.097  -2.069   3.908
  182    HB   VAL  30           HB       VAL  30   2.100  -4.297   3.196
  183   1HG1  VAL  30          1HG1      VAL  30  -0.142  -5.209   2.403
  184   2HG1  VAL  30          2HG1      VAL  30  -0.721  -3.543   2.419
  185   3HG1  VAL  30          3HG1      VAL  30  -0.174  -4.301   3.915
  186   1HG2  VAL  30          1HG2      VAL  30   2.228  -4.926   0.984
  187   2HG2  VAL  30          2HG2      VAL  30   2.428  -3.188   0.766
  188   3HG2  VAL  30          3HG2      VAL  30   0.850  -3.932   0.512
  189    H    TYR  31           H        TYR  31   3.334  -2.553   4.694
  190    HA   TYR  31           HA       TYR  31   5.242  -0.588   3.919
  191   1HB   TYR  31          2HB       TYR  31   4.909  -2.127   6.044
  192   2HB   TYR  31          1HB       TYR  31   6.028  -3.193   5.193
  193    HD1  TYR  31           1HD      TYR  31   5.675  -0.163   7.135
  194    HD2  TYR  31           2HD      TYR  31   8.276  -2.272   4.445
  195    HE1  TYR  31           1HE      TYR  31   7.574   1.254   7.862
  196    HE2  TYR  31           2HE      TYR  31  10.177  -0.856   5.172
  197    HH   TYR  31           HH       TYR  31  10.074   1.862   6.419
  198    H    ALA  32           H        ALA  32   6.734  -0.560   2.288
  199    HA   ALA  32           HA       ALA  32   7.078  -3.030   0.629
  200   1HB   ALA  32          1HB       ALA  32   6.177  -0.801  -0.266
  201   2HB   ALA  32          2HB       ALA  32   7.535  -1.490  -1.155
  202   3HB   ALA  32          3HB       ALA  32   7.802  -0.160  -0.027
  203    H    ARG  33           H        ARG  33   9.253  -3.606  -0.052
  204    HA   ARG  33           HA       ARG  33  11.437  -2.437   1.649
  205   1HB   ARG  33          2HB       ARG  33  10.523  -4.762   2.221
  206   2HB   ARG  33          1HB       ARG  33  11.216  -5.302   0.691
  207   1HG   ARG  33          2HG       ARG  33  13.435  -4.371   1.470
  208   2HG   ARG  33          1HG       ARG  33  12.694  -4.100   3.048
  209   1HD   ARG  33          2HD       ARG  33  12.005  -6.640   2.852
  210   2HD   ARG  33          1HD       ARG  33  13.345  -6.705   1.690
  211    HE   ARG  33           HE       ARG  33  14.243  -5.262   3.975
  212   1HH1  ARG  33          1HH1      ARG  33  12.596  -7.586   5.156
  213   2HH1  ARG  33          2HH1      ARG  33  13.840  -8.764   5.404
  214   1HH2  ARG  33          1HH2      ARG  33  16.149  -7.144   3.375
  215   2HH2  ARG  33          2HH2      ARG  33  15.855  -8.514   4.394
  216    HA   PRO  34           HA       PRO  34  13.134  -1.708  -2.425
  217   1HB   PRO  34          2HB       PRO  34  15.449  -0.519  -1.574
  218   2HB   PRO  34          1HB       PRO  34  13.887   0.324  -1.622
  219   1HG   PRO  34          2HG       PRO  34  15.311  -0.891   0.689
  220   2HG   PRO  34          1HG       PRO  34  14.363   0.601   0.605
  221   1HD   PRO  34          2HD       PRO  34  13.417  -1.734   1.659
  222   2HD   PRO  34          1HD       PRO  34  12.379  -0.486   0.933
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1  -6.051  10.251   2.293
    2   2H    GLY   1          2HT       GLY   1  -4.712   9.386   1.709
    3   3H    GLY   1          3HT       GLY   1  -4.978  10.987   1.205
    4   1HA   GLY   1          2HA       GLY   1  -3.975  11.858   2.976
    5   2HA   GLY   1          1HA       GLY   1  -4.810  10.746   4.059
    6    H    CYS   2           H        CYS   2  -3.364   9.536   5.177
    7    HA   CYS   2           HA       CYS   2  -0.806   8.739   3.833
    8   1HB   CYS   2          2HB       CYS   2  -1.622   9.661   6.494
    9   2HB   CYS   2          1HB       CYS   2  -0.629   8.205   6.564
   10    H    GLY   3           H        GLY   3  -1.458   6.802   2.805
   11   1HA   GLY   3          2HA       GLY   3  -2.890   4.755   4.396
   12   2HA   GLY   3          1HA       GLY   3  -2.541   4.664   2.670
   13    H    GLY   4           H        GLY   4  -1.604   3.525   5.698
   14   1HA   GLY   4          2HA       GLY   4   0.759   2.211   4.504
   15   2HA   GLY   4          1HA       GLY   4   1.056   3.205   5.929
   16    H    LEU   5           H        LEU   5   1.330   0.274   5.597
   17    HA   LEU   5           HA       LEU   5   0.917  -1.679   6.836
   18   1HB   LEU   5          2HB       LEU   5   0.417   0.657   8.582
   19   2HB   LEU   5          1HB       LEU   5  -0.283  -0.855   9.156
   20    HG   LEU   5           HG       LEU   5   1.998  -0.572  10.031
   21   1HD1  LEU   5          1HD1      LEU   5   2.571  -2.773   9.732
   22   2HD1  LEU   5          2HD1      LEU   5   2.406  -2.687   7.979
   23   3HD1  LEU   5          3HD1      LEU   5   0.972  -2.839   8.993
   24   1HD2  LEU   5          1HD2      LEU   5   3.875  -0.215   8.681
   25   2HD2  LEU   5          2HD2      LEU   5   2.654   0.755   7.859
   26   3HD2  LEU   5          3HD2      LEU   5   3.079  -0.839   7.237
   27    H    MET   6           H        MET   6  -0.704  -2.400   5.271
   28    HA   MET   6           HA       MET   6  -2.807  -3.262   4.676
   29   1HB   MET   6          2HB       MET   6  -2.312  -3.867   7.251
   30   2HB   MET   6          1HB       MET   6  -3.762  -2.887   7.479
   31   1HG   MET   6          2HG       MET   6  -4.905  -4.290   5.736
   32   2HG   MET   6          1HG       MET   6  -3.485  -5.334   5.713
   33   1HE   MET   6          1HE       MET   6  -3.273  -7.412   7.282
   34   2HE   MET   6          2HE       MET   6  -4.613  -7.316   6.141
   35   3HE   MET   6          3HE       MET   6  -4.891  -7.943   7.763
   36    H    ALA   7           H        ALA   7  -2.441  -0.388   4.427
   37    HA   ALA   7           HA       ALA   7  -4.995   0.839   5.308
   38   1HB   ALA   7          1HB       ALA   7  -3.215   2.306   3.476
   39   2HB   ALA   7          2HB       ALA   7  -2.404   1.706   4.923
   40   3HB   ALA   7          3HB       ALA   7  -3.804   2.765   5.074
   41    H    GLY   8           H        GLY   8  -6.671  -0.011   4.039
   42   1HA   GLY   8          2HA       GLY   8  -6.563  -0.807   1.341
   43   2HA   GLY   8          1HA       GLY   8  -8.029  -0.253   2.145
   44    H    CYS   9           H        CYS   9  -5.807   0.462  -0.301
   45    HA   CYS   9           HA       CYS   9  -6.575   3.349  -0.346
   46   1HB   CYS   9          2HB       CYS   9  -4.641   3.518  -1.931
   47   2HB   CYS   9          1HB       CYS   9  -4.184   2.890  -0.352
   48    H    ASP  10           H        ASP  10  -6.485   0.417  -2.363
   49    HA   ASP  10           HA       ASP  10  -7.654  -0.167  -4.320
   50   1HB   ASP  10          2HB       ASP  10  -9.504   0.132  -2.749
   51   2HB   ASP  10          1HB       ASP  10  -9.531   1.866  -3.066
   52    H    GLY  11           H        GLY  11  -6.254   0.663  -5.943
   53   1HA   GLY  11          2HA       GLY  11  -7.055   2.261  -7.939
   54   2HA   GLY  11          1HA       GLY  11  -6.549   3.482  -6.770
   55    H    LYS  12           H        LYS  12  -5.482   1.793  -9.386
   56    HA   LYS  12           HA       LYS  12  -2.812   1.002  -8.690
   57   1HB   LYS  12          2HB       LYS  12  -2.480   1.072 -11.135
   58   2HB   LYS  12          1HB       LYS  12  -4.045   0.361 -10.748
   59   1HG   LYS  12          2HG       LYS  12  -4.472   3.158 -10.946
   60   2HG   LYS  12          1HG       LYS  12  -3.471   2.708 -12.327
   61   1HD   LYS  12          2HD       LYS  12  -5.057   1.097 -13.080
   62   2HD   LYS  12          1HD       LYS  12  -5.945   1.148 -11.557
   63   1HE   LYS  12          2HE       LYS  12  -5.662   3.679 -13.162
   64   2HE   LYS  12          1HE       LYS  12  -6.884   2.481 -13.629
   65   1HZ   LYS  12          1HZ       LYS  12  -7.782   4.024 -11.992
   66   2HZ   LYS  12          2HZ       LYS  12  -6.534   3.635 -10.907
   67   3HZ   LYS  12          3HZ       LYS  12  -7.685   2.462 -11.339
   68    H    SER  13           H        SER  13  -4.247   4.135  -9.061
   69    HA   SER  13           HA       SER  13  -1.533   5.414  -9.150
   70   1HB   SER  13          2HB       SER  13  -3.262   5.710 -11.055
   71   2HB   SER  13          1HB       SER  13  -4.175   6.682  -9.905
   72    HG   SER  13           HG       SER  13  -2.720   8.216 -10.047
   73    H    THR  14           H        THR  14  -3.034   4.426  -6.737
   74    HA   THR  14           HA       THR  14  -4.113   6.787  -5.380
   75    HB   THR  14           HB       THR  14  -4.782   4.348  -5.042
   76    HG1  THR  14           1HG      THR  14  -3.872   5.640  -2.691
   77   1HG2  THR  14          1HG2      THR  14  -2.271   3.672  -4.949
   78   2HG2  THR  14          2HG2      THR  14  -3.397   2.869  -3.855
   79   3HG2  THR  14          3HG2      THR  14  -2.362   4.165  -3.257
   80    H    PHE  15           H        PHE  15  -3.106   7.714  -3.416
   81    HA   PHE  15           HA       PHE  15  -0.108   7.577  -3.504
   82   1HB   PHE  15          2HB       PHE  15  -2.083   9.723  -3.503
   83   2HB   PHE  15          1HB       PHE  15  -0.929   9.916  -2.184
   84    HD1  PHE  15           1HD      PHE  15   1.539   9.944  -2.681
   85    HD2  PHE  15           2HD      PHE  15  -1.432  10.056  -5.783
   86    HE1  PHE  15           1HE      PHE  15   3.247  10.749  -4.287
   87    HE2  PHE  15           2HE      PHE  15   0.277  10.862  -7.390
   88    HZ   PHE  15           HZ       PHE  15   2.617  11.207  -6.642
   89    H    CYS  16           H        CYS  16   0.601   6.347  -1.800
   90    HA   CYS  16           HA       CYS  16  -0.958   6.051   0.671
   91   1HB   CYS  16          2HB       CYS  16   1.687   5.051  -0.404
   92   2HB   CYS  16          1HB       CYS  16   1.170   4.688   1.242
   93    H    CYS  17           H        CYS  17   1.002   6.057   2.661
   94    HA   CYS  17           HA       CYS  17   1.349   8.927   3.118
   95   1HB   CYS  17          2HB       CYS  17   0.703   7.094   4.785
   96   2HB   CYS  17          1HB       CYS  17   2.394   6.607   4.759
   97    H    SER  18           H        SER  18   3.821   6.430   3.687
   98    HA   SER  18           HA       SER  18   5.702   7.505   1.741
   99   1HB   SER  18          2HB       SER  18   5.432   8.742   4.313
  100   2HB   SER  18          1HB       SER  18   6.988   7.921   4.270
  101    HG   SER  18           HG       SER  18   5.963   9.884   2.504
  102    H    GLY  19           H        GLY  19   6.865   5.711   1.182
  103   1HA   GLY  19          2HA       GLY  19   8.207   3.787   1.464
  104   2HA   GLY  19          1HA       GLY  19   8.066   3.990   3.210
  105    H    TYR  20           H        TYR  20   5.232   3.843   1.113
  106    HA   TYR  20           HA       TYR  20   4.638   1.105   2.192
  107   1HB   TYR  20          2HB       TYR  20   2.860   3.543   1.872
  108   2HB   TYR  20          1HB       TYR  20   2.249   1.938   2.261
  109    HD1  TYR  20           1HD      TYR  20   4.139   0.837   4.137
  110    HD2  TYR  20           2HD      TYR  20   2.743   4.879   3.782
  111    HE1  TYR  20           1HE      TYR  20   4.643   1.219   6.533
  112    HE2  TYR  20           2HE      TYR  20   3.248   5.264   6.179
  113    HH   TYR  20           HH       TYR  20   5.086   3.961   7.903
  114    H    ASN  21           H        ASN  21   3.457  -0.274   0.753
  115    HA   ASN  21           HA       ASN  21   3.226   0.712  -2.076
  116   1HB   ASN  21          2HB       ASN  21   5.069  -1.048  -1.122
  117   2HB   ASN  21          1HB       ASN  21   3.763  -2.161  -1.528
  118   1HD2  ASN  21          1HD2      ASN  21   3.073  -2.262  -3.808
  119   2HD2  ASN  21          2HD2      ASN  21   4.071  -1.663  -5.043
  120    H    CYS  22           H        CYS  22   1.198   0.412  -2.948
  121    HA   CYS  22           HA       CYS  22  -0.855  -0.998  -1.363
  122   1HB   CYS  22          2HB       CYS  22  -0.703   0.920  -3.634
  123   2HB   CYS  22          1HB       CYS  22  -2.112  -0.141  -3.608
  124    H    SER  23           H        SER  23  -1.507  -3.074  -1.789
  125    HA   SER  23           HA       SER  23  -0.329  -4.496  -4.106
  126   1HB   SER  23          2HB       SER  23  -1.359  -5.098  -1.436
  127   2HB   SER  23          1HB       SER  23  -1.962  -6.230  -2.643
  128    HG   SER  23           HG       SER  23   0.623  -5.767  -1.733
  129    HA   PRO  24           HA       PRO  24  -4.056  -4.179  -6.456
  130   1HB   PRO  24          2HB       PRO  24  -3.636  -6.240  -8.204
  131   2HB   PRO  24          1HB       PRO  24  -2.775  -4.691  -8.308
  132   1HG   PRO  24          2HG       PRO  24  -1.856  -7.298  -7.213
  133   2HG   PRO  24          1HG       PRO  24  -0.958  -6.076  -8.126
  134   1HD   PRO  24          2HD       PRO  24  -0.784  -6.396  -5.412
  135   2HD   PRO  24          1HD       PRO  24  -0.452  -4.869  -6.258
  136    H    THR  25           H        THR  25  -3.100  -7.443  -5.368
  137    HA   THR  25           HA       THR  25  -5.797  -8.534  -5.538
  138    HB   THR  25           HB       THR  25  -3.456  -9.604  -3.947
  139    HG1  THR  25           1HG      THR  25  -2.401  -9.666  -5.741
  140   1HG2  THR  25          1HG2      THR  25  -4.589 -11.563  -3.955
  141   2HG2  THR  25          2HG2      THR  25  -5.055 -11.385  -5.646
  142   3HG2  THR  25          3HG2      THR  25  -5.994 -10.588  -4.385
  143    H    TRP  26           H        TRP  26  -3.801  -7.130  -2.964
  144    HA   TRP  26           HA       TRP  26  -5.816  -7.758  -0.888
  145   1HB   TRP  26          2HB       TRP  26  -3.216  -6.188  -0.820
  146   2HB   TRP  26          1HB       TRP  26  -4.133  -6.720   0.584
  147    HD1  TRP  26           HD       TRP  26  -4.791  -9.633  -0.930
  148    HE1  TRP  26           1HE      TRP  26  -2.933 -11.415  -0.819
  149    HE3  TRP  26           3HE      TRP  26  -0.781  -6.666   0.165
  150    HZ2  TRP  26           2HZ      TRP  26  -0.120 -11.567  -0.328
  151    HZ3  TRP  26           3HZ      TRP  26   1.473  -7.655   0.450
  152    HH2  TRP  26           HH       TRP  26   1.809 -10.099   0.205
  153    H    LYS  27           H        LYS  27  -4.765  -5.030  -2.844
  154    HA   LYS  27           HA       LYS  27  -5.781  -2.949  -3.234
  155   1HB   LYS  27          2HB       LYS  27  -7.816  -4.598  -2.706
  156   2HB   LYS  27          1HB       LYS  27  -7.963  -3.559  -1.288
  157   1HG   LYS  27          2HG       LYS  27  -9.281  -2.407  -2.825
  158   2HG   LYS  27          1HG       LYS  27  -7.721  -1.615  -3.050
  159   1HD   LYS  27          2HD       LYS  27  -8.143  -2.102  -5.252
  160   2HD   LYS  27          1HD       LYS  27  -7.426  -3.648  -4.796
  161   1HE   LYS  27          2HE       LYS  27  -9.764  -4.467  -4.235
  162   2HE   LYS  27          1HE       LYS  27 -10.382  -2.980  -4.979
  163   1HZ   LYS  27          1HZ       LYS  27 -10.221  -4.769  -6.610
  164   2HZ   LYS  27          2HZ       LYS  27  -8.562  -4.938  -6.287
  165   3HZ   LYS  27          3HZ       LYS  27  -9.154  -3.508  -6.992
  166    H    TRP  28           H        TRP  28  -4.249  -3.758  -0.461
  167    HA   TRP  28           HA       TRP  28  -4.836  -1.092   0.782
  168   1HB   TRP  28          2HB       TRP  28  -4.322  -2.124   2.951
  169   2HB   TRP  28          1HB       TRP  28  -5.619  -2.991   2.146
  170    HD1  TRP  28           HD       TRP  28  -1.755  -3.365   1.827
  171    HE1  TRP  28           1HE      TRP  28  -1.172  -5.841   2.221
  172    HE3  TRP  28           3HE      TRP  28  -6.402  -5.216   2.852
  173    HZ2  TRP  28           2HZ      TRP  28  -2.493  -8.283   2.893
  174    HZ3  TRP  28           3HZ      TRP  28  -6.709  -7.619   3.372
  175    HH2  TRP  28           HH       TRP  28  -4.762  -9.154   3.394
  176    H    CYS  29           H        CYS  29  -2.934  -0.210   2.037
  177    HA   CYS  29           HA       CYS  29  -0.438  -0.597   0.453
  178   1HB   CYS  29          2HB       CYS  29  -1.833   1.622   0.988
  179   2HB   CYS  29          1HB       CYS  29  -0.855   1.590   2.457
  180    H    VAL  30           H        VAL  30   1.302  -1.578   1.405
  181    HA   VAL  30           HA       VAL  30   1.355  -1.806   4.403
  182    HB   VAL  30           HB       VAL  30   2.574  -4.018   3.874
  183   1HG1  VAL  30          1HG1      VAL  30   0.354  -5.166   3.332
  184   2HG1  VAL  30          2HG1      VAL  30  -0.347  -3.549   3.269
  185   3HG1  VAL  30          3HG1      VAL  30   0.376  -4.140   4.765
  186   1HG2  VAL  30          1HG2      VAL  30   2.343  -4.975   1.715
  187   2HG2  VAL  30          2HG2      VAL  30   2.856  -3.318   1.404
  188   3HG2  VAL  30          3HG2      VAL  30   1.161  -3.767   1.213
  189    H    TYR  31           H        TYR  31   3.734  -2.427   5.089
  190    HA   TYR  31           HA       TYR  31   5.483  -0.279   4.371
  191   1HB   TYR  31          2HB       TYR  31   5.326  -2.389   6.243
  192   2HB   TYR  31          1HB       TYR  31   6.861  -2.613   5.405
  193    HD1  TYR  31           1HD      TYR  31   7.940  -0.076   4.834
  194    HD2  TYR  31           2HD      TYR  31   5.567  -1.210   8.232
  195    HE1  TYR  31           1HE      TYR  31   8.923   1.786   6.143
  196    HE2  TYR  31           2HE      TYR  31   6.552   0.652   9.540
  197    HH   TYR  31           HH       TYR  31   9.127   2.041   9.109
  198    H    ALA  32           H        ALA  32   7.100  -0.133   2.834
  199    HA   ALA  32           HA       ALA  32   7.153  -2.049   0.635
  200   1HB   ALA  32          1HB       ALA  32   7.434   0.448   0.486
  201   2HB   ALA  32          2HB       ALA  32   8.740  -0.446  -0.293
  202   3HB   ALA  32          3HB       ALA  32   8.992   0.276   1.296
  203    H    ARG  33           H        ARG  33   9.791  -2.292  -0.064
  204    HA   ARG  33           HA       ARG  33  10.978  -3.850   2.212
  205   1HB   ARG  33          2HB       ARG  33  10.009  -4.811  -0.114
  206   2HB   ARG  33          1HB       ARG  33  11.651  -4.436  -0.636
  207   1HG   ARG  33          2HG       ARG  33  12.181  -5.658   1.726
  208   2HG   ARG  33          1HG       ARG  33  10.696  -6.496   1.275
  209   1HD   ARG  33          2HD       ARG  33  11.835  -6.750  -1.071
  210   2HD   ARG  33          1HD       ARG  33  13.335  -6.426  -0.182
  211    HE   ARG  33           HE       ARG  33  11.742  -8.848   0.029
  212   1HH1  ARG  33          1HH1      ARG  33  14.766  -8.346   0.530
  213   2HH1  ARG  33          2HH1      ARG  33  14.871  -8.748   2.211
  214   1HH2  ARG  33          1HH2      ARG  33  11.435  -8.639   2.724
  215   2HH2  ARG  33          2HH2      ARG  33  12.981  -8.915   3.456
  216    HA   PRO  34           HA       PRO  34  13.929  -0.472   0.846
  217   1HB   PRO  34          2HB       PRO  34  14.330   0.621   3.325
  218   2HB   PRO  34          1HB       PRO  34  13.033   1.146   2.233
  219   1HG   PRO  34          2HG       PRO  34  12.903  -0.672   4.584
  220   2HG   PRO  34          1HG       PRO  34  11.753   0.563   4.046
  221   1HD   PRO  34          2HD       PRO  34  11.396  -2.105   3.617
  222   2HD   PRO  34          1HD       PRO  34  10.740  -0.842   2.552
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1  -5.700  10.909   5.565
    2   2H    GLY   1          2HT       GLY   1  -6.549  11.432   4.189
    3   3H    GLY   1          3HT       GLY   1  -6.355  12.472   5.518
    4   1HA   GLY   1          2HA       GLY   1  -4.857  13.065   3.703
    5   2HA   GLY   1          1HA       GLY   1  -3.984  12.577   5.155
    6    H    CYS   2           H        CYS   2  -2.687  10.748   5.074
    7    HA   CYS   2           HA       CYS   2  -2.462   9.413   2.401
    8   1HB   CYS   2          2HB       CYS   2  -0.161   9.010   3.059
    9   2HB   CYS   2          1HB       CYS   2  -0.532  10.699   3.397
   10    H    GLY   3           H        GLY   3  -1.536   7.043   2.710
   11   1HA   GLY   3          2HA       GLY   3  -2.965   5.705   4.972
   12   2HA   GLY   3          1HA       GLY   3  -3.127   5.102   3.323
   13    H    GLY   4           H        GLY   4  -1.801   4.078   5.954
   14   1HA   GLY   4          2HA       GLY   4   0.503   2.859   4.576
   15   2HA   GLY   4          1HA       GLY   4   0.893   3.822   6.000
   16    H    LEU   5           H        LEU   5   1.183   0.904   5.590
   17    HA   LEU   5           HA       LEU   5   0.904  -1.062   6.853
   18   1HB   LEU   5          2HB       LEU   5   0.839   1.178   8.562
   19   2HB   LEU   5          1HB       LEU   5  -0.485   0.148   9.102
   20    HG   LEU   5           HG       LEU   5   1.569  -0.473  10.274
   21   1HD1  LEU   5          1HD1      LEU   5   1.218  -2.726  10.087
   22   2HD1  LEU   5          2HD1      LEU   5   1.377  -2.711   8.331
   23   3HD1  LEU   5          3HD1      LEU   5  -0.134  -2.204   9.083
   24   1HD2  LEU   5          1HD2      LEU   5   2.731  -1.117   7.548
   25   2HD2  LEU   5          2HD2      LEU   5   3.553  -1.203   9.104
   26   3HD2  LEU   5          3HD2      LEU   5   3.096   0.362   8.434
   27    H    MET   6           H        MET   6  -0.694  -1.896   5.366
   28    HA   MET   6           HA       MET   6  -2.777  -2.819   4.788
   29   1HB   MET   6          2HB       MET   6  -3.007  -2.400   7.781
   30   2HB   MET   6          1HB       MET   6  -4.253  -3.224   6.844
   31   1HG   MET   6          2HG       MET   6  -2.518  -4.817   6.010
   32   2HG   MET   6          1HG       MET   6  -1.341  -4.039   7.069
   33   1HE   MET   6          1HE       MET   6  -3.504  -7.274   7.082
   34   2HE   MET   6          2HE       MET   6  -2.316  -7.607   8.340
   35   3HE   MET   6          3HE       MET   6  -1.813  -6.810   6.851
   36    H    ALA   7           H        ALA   7  -2.434   0.045   4.439
   37    HA   ALA   7           HA       ALA   7  -4.966   1.314   5.285
   38   1HB   ALA   7          1HB       ALA   7  -3.702   3.167   4.986
   39   2HB   ALA   7          2HB       ALA   7  -3.405   2.745   3.300
   40   3HB   ALA   7          3HB       ALA   7  -2.355   2.110   4.567
   41    H    GLY   8           H        GLY   8  -6.786   0.807   4.135
   42   1HA   GLY   8          2HA       GLY   8  -6.897  -0.480   1.627
   43   2HA   GLY   8          1HA       GLY   8  -8.221   0.462   2.313
   44    H    CYS   9           H        CYS   9  -5.646   0.443   0.002
   45    HA   CYS   9           HA       CYS   9  -5.890   3.318  -0.623
   46   1HB   CYS   9          2HB       CYS   9  -4.213   2.656  -2.409
   47   2HB   CYS   9          1HB       CYS   9  -3.703   2.315  -0.760
   48    H    ASP  10           H        ASP  10  -6.820   0.200  -2.039
   49    HA   ASP  10           HA       ASP  10  -8.278  -0.345  -3.805
   50   1HB   ASP  10          2HB       ASP  10  -9.469   2.247  -2.770
   51   2HB   ASP  10          1HB       ASP  10 -10.325   1.086  -3.784
   52    H    GLY  11           H        GLY  11  -6.579   0.050  -5.452
   53   1HA   GLY  11          2HA       GLY  11  -7.007   1.053  -7.789
   54   2HA   GLY  11          1HA       GLY  11  -6.948   2.604  -6.950
   55    H    LYS  12           H        LYS  12  -5.125   0.691  -8.839
   56    HA   LYS  12           HA       LYS  12  -2.573   0.573  -7.515
   57   1HB   LYS  12          2HB       LYS  12  -1.755   0.087  -9.762
   58   2HB   LYS  12          1HB       LYS  12  -3.308  -0.716  -9.537
   59   1HG   LYS  12          2HG       LYS  12  -3.700   1.972 -10.557
   60   2HG   LYS  12          1HG       LYS  12  -2.609   1.066 -11.604
   61   1HD   LYS  12          2HD       LYS  12  -4.204  -0.568 -12.086
   62   2HD   LYS  12          1HD       LYS  12  -5.127  -0.242 -10.618
   63   1HE   LYS  12          2HE       LYS  12  -4.881   1.891 -12.739
   64   2HE   LYS  12          1HE       LYS  12  -6.102   0.613 -12.888
   65   1HZ   LYS  12          1HZ       LYS  12  -6.796   1.118 -10.590
   66   2HZ   LYS  12          2HZ       LYS  12  -7.025   2.434 -11.639
   67   3HZ   LYS  12          3HZ       LYS  12  -5.712   2.424 -10.561
   68    H    SER  13           H        SER  13  -4.339   3.268  -8.680
   69    HA   SER  13           HA       SER  13  -1.860   4.905  -9.047
   70   1HB   SER  13          2HB       SER  13  -4.730   5.065  -9.947
   71   2HB   SER  13          1HB       SER  13  -3.731   6.515  -9.939
   72    HG   SER  13           HG       SER  13  -3.615   4.261 -11.542
   73    H    THR  14           H        THR  14  -3.125   4.034  -6.402
   74    HA   THR  14           HA       THR  14  -4.350   6.415  -5.235
   75    HB   THR  14           HB       THR  14  -4.715   3.993  -4.583
   76    HG1  THR  14           1HG      THR  14  -5.325   4.820  -2.773
   77   1HG2  THR  14          1HG2      THR  14  -2.502   3.819  -2.751
   78   2HG2  THR  14          2HG2      THR  14  -1.886   4.053  -4.387
   79   3HG2  THR  14          3HG2      THR  14  -2.961   2.702  -4.036
   80    H    PHE  15           H        PHE  15  -3.225   7.120  -2.997
   81    HA   PHE  15           HA       PHE  15  -0.298   7.572  -3.482
   82   1HB   PHE  15          2HB       PHE  15  -2.320   9.434  -3.795
   83   2HB   PHE  15          1HB       PHE  15  -1.781   9.740  -2.143
   84    HD1  PHE  15           1HD      PHE  15  -1.229  10.631  -5.468
   85    HD2  PHE  15           2HD      PHE  15   0.928   9.594  -1.900
   86    HE1  PHE  15           1HE      PHE  15   0.775  11.804  -6.337
   87    HE2  PHE  15           2HE      PHE  15   2.931  10.768  -2.770
   88    HZ   PHE  15           HZ       PHE  15   2.855  11.873  -4.989
   89    H    CYS  16           H        CYS  16   0.554   6.303  -1.832
   90    HA   CYS  16           HA       CYS  16  -0.738   6.117   0.802
   91   1HB   CYS  16          2HB       CYS  16   1.825   5.066  -0.432
   92   2HB   CYS  16          1HB       CYS  16   1.336   4.694   1.222
   93    H    CYS  17           H        CYS  17   1.256   6.218   2.644
   94    HA   CYS  17           HA       CYS  17   1.861   9.094   2.795
   95   1HB   CYS  17          2HB       CYS  17   1.198   7.090   4.576
   96   2HB   CYS  17          1HB       CYS  17   2.923   7.294   4.868
   97    H    SER  18           H        SER  18   4.017   6.398   3.693
   98    HA   SER  18           HA       SER  18   6.068   7.145   1.737
   99   1HB   SER  18          2HB       SER  18   7.665   7.874   3.551
  100   2HB   SER  18          1HB       SER  18   6.306   8.970   3.323
  101    HG   SER  18           HG       SER  18   5.362   8.171   5.147
  102    H    GLY  19           H        GLY  19   7.298   5.332   1.361
  103   1HA   GLY  19          2HA       GLY  19   8.350   3.262   1.724
  104   2HA   GLY  19          1HA       GLY  19   8.114   3.508   3.453
  105    H    TYR  20           H        TYR  20   5.345   3.672   1.324
  106    HA   TYR  20           HA       TYR  20   4.479   0.957   2.272
  107   1HB   TYR  20          2HB       TYR  20   2.947   3.564   2.000
  108   2HB   TYR  20          1HB       TYR  20   2.177   2.011   2.316
  109    HD1  TYR  20           1HD      TYR  20   3.836   0.665   4.220
  110    HD2  TYR  20           2HD      TYR  20   2.957   4.856   3.936
  111    HE1  TYR  20           1HE      TYR  20   4.292   0.923   6.642
  112    HE2  TYR  20           2HE      TYR  20   3.416   5.119   6.357
  113    HH   TYR  20           HH       TYR  20   5.026   3.539   8.102
  114    H    ASN  21           H        ASN  21   3.460  -0.324   0.693
  115    HA   ASN  21           HA       ASN  21   3.250   0.858  -2.060
  116   1HB   ASN  21          2HB       ASN  21   4.920  -1.158  -1.075
  117   2HB   ASN  21          1HB       ASN  21   3.628  -2.037  -1.893
  118   1HD2  ASN  21          1HD2      ASN  21   3.160  -1.300  -4.217
  119   2HD2  ASN  21          2HD2      ASN  21   4.459  -0.715  -5.140
  120    H    CYS  22           H        CYS  22   1.123   0.957  -2.649
  121    HA   CYS  22           HA       CYS  22  -0.963  -0.578  -1.317
  122   1HB   CYS  22          2HB       CYS  22  -1.538   1.593  -2.076
  123   2HB   CYS  22          1HB       CYS  22  -0.774   1.338  -3.644
  124    H    SER  23           H        SER  23  -1.004  -2.773  -1.724
  125    HA   SER  23           HA       SER  23  -0.138  -3.963  -4.226
  126   1HB   SER  23          2HB       SER  23  -0.401  -4.827  -1.696
  127   2HB   SER  23          1HB       SER  23  -1.958  -5.368  -2.316
  128    HG   SER  23           HG       SER  23  -0.940  -6.912  -3.287
  129    HA   PRO  24           HA       PRO  24  -3.965  -3.350  -6.386
  130   1HB   PRO  24          2HB       PRO  24  -3.471  -5.035  -8.487
  131   2HB   PRO  24          1HB       PRO  24  -2.726  -3.431  -8.335
  132   1HG   PRO  24          2HG       PRO  24  -1.585  -6.112  -7.736
  133   2HG   PRO  24          1HG       PRO  24  -0.813  -4.691  -8.457
  134   1HD   PRO  24          2HD       PRO  24  -0.486  -5.435  -5.849
  135   2HD   PRO  24          1HD       PRO  24  -0.332  -3.761  -6.426
  136    H    THR  25           H        THR  25  -2.750  -6.547  -5.501
  137    HA   THR  25           HA       THR  25  -5.356  -7.857  -5.947
  138    HB   THR  25           HB       THR  25  -2.819  -8.873  -4.626
  139    HG1  THR  25           1HG      THR  25  -2.084  -8.507  -6.571
  140   1HG2  THR  25          1HG2      THR  25  -3.918 -10.822  -4.433
  141   2HG2  THR  25          2HG2      THR  25  -4.296 -10.806  -6.156
  142   3HG2  THR  25          3HG2      THR  25  -5.383 -10.025  -5.007
  143    H    TRP  26           H        TRP  26  -3.394  -6.685  -3.231
  144    HA   TRP  26           HA       TRP  26  -5.294  -7.726  -1.222
  145   1HB   TRP  26          2HB       TRP  26  -2.845  -5.946  -1.003
  146   2HB   TRP  26          1HB       TRP  26  -3.674  -6.719   0.338
  147    HD1  TRP  26           HD       TRP  26  -4.101  -9.441  -1.629
  148    HE1  TRP  26           1HE      TRP  26  -2.108 -11.070  -1.708
  149    HE3  TRP  26           3HE      TRP  26  -0.374  -6.373   0.043
  150    HZ2  TRP  26           2HZ      TRP  26   0.690 -11.081  -1.134
  151    HZ3  TRP  26           3HZ      TRP  26   1.943  -7.220   0.267
  152    HH2  TRP  26           HH       TRP  26   2.480  -9.567  -0.319
  153    H    LYS  27           H        LYS  27  -4.895  -4.840  -3.078
  154    HA   LYS  27           HA       LYS  27  -6.063  -2.811  -3.105
  155   1HB   LYS  27          2HB       LYS  27  -7.799  -4.656  -1.489
  156   2HB   LYS  27          1HB       LYS  27  -8.250  -2.959  -1.645
  157   1HG   LYS  27          2HG       LYS  27  -7.552  -4.642  -4.054
  158   2HG   LYS  27          1HG       LYS  27  -9.192  -4.577  -3.411
  159   1HD   LYS  27          2HD       LYS  27  -9.012  -2.035  -3.565
  160   2HD   LYS  27          1HD       LYS  27  -7.544  -2.290  -4.509
  161   1HE   LYS  27          2HE       LYS  27 -10.218  -3.537  -5.232
  162   2HE   LYS  27          1HE       LYS  27  -9.624  -2.014  -5.923
  163   1HZ   LYS  27          1HZ       LYS  27  -7.567  -3.197  -6.550
  164   2HZ   LYS  27          2HZ       LYS  27  -8.940  -3.826  -7.329
  165   3HZ   LYS  27          3HZ       LYS  27  -8.254  -4.653  -6.015
  166    H    TRP  28           H        TRP  28  -4.100  -3.564  -0.690
  167    HA   TRP  28           HA       TRP  28  -4.818  -1.097   0.839
  168   1HB   TRP  28          2HB       TRP  28  -4.283  -2.221   2.925
  169   2HB   TRP  28          1HB       TRP  28  -5.487  -3.168   2.063
  170    HD1  TRP  28           HD       TRP  28  -1.591  -3.148   1.849
  171    HE1  TRP  28           1HE      TRP  28  -0.784  -5.580   2.093
  172    HE3  TRP  28           3HE      TRP  28  -6.071  -5.501   2.536
  173    HZ2  TRP  28           2HZ      TRP  28  -1.886  -8.180   2.533
  174    HZ3  TRP  28           3HZ      TRP  28  -6.162  -7.953   2.870
  175    HH2  TRP  28           HH       TRP  28  -4.077  -9.295   2.869
  176    H    CYS  29           H        CYS  29  -2.885  -0.256   2.101
  177    HA   CYS  29           HA       CYS  29  -0.411  -0.570   0.445
  178   1HB   CYS  29          2HB       CYS  29  -1.813   1.630   0.838
  179   2HB   CYS  29          1HB       CYS  29  -0.961   1.665   2.382
  180    H    VAL  30           H        VAL  30   1.335  -1.524   1.414
  181    HA   VAL  30           HA       VAL  30   1.490  -1.541   4.413
  182    HB   VAL  30           HB       VAL  30   2.465  -3.908   4.030
  183   1HG1  VAL  30          1HG1      VAL  30  -0.436  -3.186   3.587
  184   2HG1  VAL  30          2HG1      VAL  30   0.341  -3.703   5.082
  185   3HG1  VAL  30          3HG1      VAL  30   0.103  -4.855   3.770
  186   1HG2  VAL  30          1HG2      VAL  30   2.618  -3.469   1.492
  187   2HG2  VAL  30          2HG2      VAL  30   0.876  -3.736   1.460
  188   3HG2  VAL  30          3HG2      VAL  30   1.955  -5.025   1.992
  189    H    TYR  31           H        TYR  31   3.750  -2.018   5.180
  190    HA   TYR  31           HA       TYR  31   5.700  -0.270   4.256
  191   1HB   TYR  31          2HB       TYR  31   7.312  -1.867   5.403
  192   2HB   TYR  31          1HB       TYR  31   5.917  -1.395   6.366
  193    HD1  TYR  31           1HD      TYR  31   7.297  -4.117   4.221
  194    HD2  TYR  31           2HD      TYR  31   4.344  -3.005   7.135
  195    HE1  TYR  31           1HE      TYR  31   6.685  -6.501   4.509
  196    HE2  TYR  31           2HE      TYR  31   3.729  -5.390   7.420
  197    HH   TYR  31           HH       TYR  31   4.015  -7.588   5.651
  198    H    ALA  32           H        ALA  32   7.337  -0.307   2.711
  199    HA   ALA  32           HA       ALA  32   7.398  -2.666   0.851
  200   1HB   ALA  32          1HB       ALA  32   6.261  -0.369   0.225
  201   2HB   ALA  32          2HB       ALA  32   7.290  -1.182  -0.955
  202   3HB   ALA  32          3HB       ALA  32   7.925   0.165  -0.010
  203    H    ARG  33           H        ARG  33   9.453  -3.298   0.137
  204    HA   ARG  33           HA       ARG  33  11.770  -2.099   1.574
  205   1HB   ARG  33          2HB       ARG  33  10.919  -4.720   0.576
  206   2HB   ARG  33          1HB       ARG  33  12.588  -4.351   0.141
  207   1HG   ARG  33          2HG       ARG  33  12.908  -5.268   2.245
  208   2HG   ARG  33          1HG       ARG  33  12.731  -3.566   2.670
  209   1HD   ARG  33          2HD       ARG  33  10.819  -3.972   3.827
  210   2HD   ARG  33          1HD       ARG  33  10.138  -4.920   2.490
  211    HE   ARG  33           HE       ARG  33  12.292  -6.329   3.856
  212   1HH1  ARG  33          1HH2      ARG  33   9.640  -7.392   2.669
  213   2HH1  ARG  33          2HH2      ARG  33   8.862  -7.963   4.107
  214   1HH2  ARG  33          1HH1      ARG  33  10.990  -6.264   6.259
  215   2HH2  ARG  33          2HH1      ARG  33   9.627  -7.325   6.140
  216    HA   PRO  34           HA       PRO  34  12.899  -0.091  -2.237
  217   1HB   PRO  34          2HB       PRO  34  15.348   0.822  -1.424
  218   2HB   PRO  34          1HB       PRO  34  13.821   1.581  -0.935
  219   1HG   PRO  34          2HG       PRO  34  15.577  -0.279   0.580
  220   2HG   PRO  34          1HG       PRO  34  14.654   1.120   1.149
  221   1HD   PRO  34          2HD       PRO  34  13.858  -1.473   1.493
  222   2HD   PRO  34          1HD       PRO  34  12.738  -0.094   1.421
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1  -5.633   9.707   0.810
    2   2H    GLY   1          2HT       GLY   1  -5.972  10.111   2.424
    3   3H    GLY   1          3HT       GLY   1  -4.941   8.807   2.071
    4   1HA   GLY   1          2HA       GLY   1  -3.746  10.865   0.772
    5   2HA   GLY   1          1HA       GLY   1  -4.360  11.617   2.245
    6    H    CYS   2           H        CYS   2  -3.779  10.539   4.321
    7    HA   CYS   2           HA       CYS   2  -0.997   9.482   4.190
    8   1HB   CYS   2          2HB       CYS   2  -1.421  11.424   5.592
    9   2HB   CYS   2          1HB       CYS   2  -2.752  10.599   6.402
   10    H    GLY   3           H        GLY   3  -1.423   7.265   3.645
   11   1HA   GLY   3          2HA       GLY   3  -2.936   5.723   5.721
   12   2HA   GLY   3          1HA       GLY   3  -2.835   5.231   4.030
   13    H    GLY   4           H        GLY   4  -2.046   3.484   6.081
   14   1HA   GLY   4          2HA       GLY   4   0.548   2.695   5.204
   15   2HA   GLY   4          1HA       GLY   4   0.719   3.546   6.739
   16    H    LEU   5           H        LEU   5   0.962   0.607   5.888
   17    HA   LEU   5           HA       LEU   5   0.588  -1.479   6.907
   18   1HB   LEU   5          2HB       LEU   5   0.456   0.582   8.903
   19   2HB   LEU   5          1HB       LEU   5  -0.731  -0.657   9.305
   20    HG   LEU   5           HG       LEU   5   1.460  -1.175  10.307
   21   1HD1  LEU   5          1HD1      LEU   5   0.103  -3.080   9.748
   22   2HD1  LEU   5          2HD1      LEU   5   1.751  -3.461   9.250
   23   3HD1  LEU   5          3HD1      LEU   5   0.555  -2.978   8.047
   24   1HD2  LEU   5          1HD2      LEU   5   3.305  -0.614   9.136
   25   2HD2  LEU   5          2HD2      LEU   5   2.365  -0.400   7.660
   26   3HD2  LEU   5          3HD2      LEU   5   2.983  -1.995   8.086
   27    H    MET   6           H        MET   6  -1.017  -2.223   5.444
   28    HA   MET   6           HA       MET   6  -3.145  -2.974   4.778
   29   1HB   MET   6          2HB       MET   6  -3.484  -2.604   7.773
   30   2HB   MET   6          1HB       MET   6  -4.674  -3.413   6.754
   31   1HG   MET   6          2HG       MET   6  -3.440  -5.304   6.639
   32   2HG   MET   6          1HG       MET   6  -1.957  -4.410   6.308
   33   1HE   MET   6          1HE       MET   6  -3.832  -6.567   8.565
   34   2HE   MET   6          2HE       MET   6  -4.599  -5.095   9.153
   35   3HE   MET   6          3HE       MET   6  -3.561  -6.028  10.227
   36    H    ALA   7           H        ALA   7  -2.635  -0.218   4.386
   37    HA   ALA   7           HA       ALA   7  -4.988   1.308   5.326
   38   1HB   ALA   7          1HB       ALA   7  -2.412   1.935   4.716
   39   2HB   ALA   7          2HB       ALA   7  -3.722   3.115   4.688
   40   3HB   ALA   7          3HB       ALA   7  -3.198   2.345   3.191
   41    H    GLY   8           H        GLY   8  -6.918   1.007   4.272
   42   1HA   GLY   8          2HA       GLY   8  -7.255  -0.296   1.777
   43   2HA   GLY   8          1HA       GLY   8  -8.463   0.748   2.524
   44    H    CYS   9           H        CYS   9  -6.355   0.430  -0.095
   45    HA   CYS   9           HA       CYS   9  -6.485   3.368  -0.689
   46   1HB   CYS   9          2HB       CYS   9  -4.551   2.776  -2.242
   47   2HB   CYS   9          1HB       CYS   9  -4.218   2.605  -0.522
   48    H    ASP  10           H        ASP  10  -7.014   0.121  -2.024
   49    HA   ASP  10           HA       ASP  10  -8.223  -0.608  -3.910
   50   1HB   ASP  10          2HB       ASP  10  -9.716   1.093  -2.386
   51   2HB   ASP  10          1HB       ASP  10  -9.800   1.901  -3.953
   52    H    GLY  11           H        GLY  11  -5.899   0.254  -4.861
   53   1HA   GLY  11          2HA       GLY  11  -6.328   1.062  -7.505
   54   2HA   GLY  11          1HA       GLY  11  -6.000   2.546  -6.606
   55    H    LYS  12           H        LYS  12  -4.524   0.148  -8.362
   56    HA   LYS  12           HA       LYS  12  -2.140  -0.473  -6.948
   57   1HB   LYS  12          2HB       LYS  12  -1.308  -1.078  -9.143
   58   2HB   LYS  12          1HB       LYS  12  -3.029  -1.456  -9.100
   59   1HG   LYS  12          2HG       LYS  12  -3.124   1.113  -9.986
   60   2HG   LYS  12          1HG       LYS  12  -1.584   0.603 -10.673
   61   1HD   LYS  12          2HD       LYS  12  -2.972  -0.131 -12.357
   62   2HD   LYS  12          1HD       LYS  12  -3.033  -1.556 -11.321
   63   1HE   LYS  12          2HE       LYS  12  -5.321  -1.034 -11.841
   64   2HE   LYS  12          1HE       LYS  12  -5.072  -0.435 -10.191
   65   1HZ   LYS  12          1HZ       LYS  12  -4.631   1.229 -12.613
   66   2HZ   LYS  12          2HZ       LYS  12  -4.680   1.749 -10.995
   67   3HZ   LYS  12          3HZ       LYS  12  -6.097   1.209 -11.760
   68    H    SER  13           H        SER  13  -3.141   2.514  -8.447
   69    HA   SER  13           HA       SER  13  -0.369   3.614  -8.388
   70   1HB   SER  13          2HB       SER  13  -1.373   4.203 -10.391
   71   2HB   SER  13          1HB       SER  13  -2.986   4.245  -9.692
   72    HG   SER  13           HG       SER  13  -0.928   6.171  -9.583
   73    H    THR  14           H        THR  14  -3.209   3.537  -6.443
   74    HA   THR  14           HA       THR  14  -3.292   6.104  -5.262
   75    HB   THR  14           HB       THR  14  -3.786   3.331  -4.123
   76    HG1  THR  14           1HG      THR  14  -5.885   3.762  -4.724
   77   1HG2  THR  14          1HG2      THR  14  -4.322   6.087  -3.036
   78   2HG2  THR  14          2HG2      THR  14  -3.653   4.681  -2.207
   79   3HG2  THR  14          3HG2      THR  14  -5.369   4.734  -2.607
   80    H    PHE  15           H        PHE  15  -1.941   7.156  -3.849
   81    HA   PHE  15           HA       PHE  15   0.537   5.774  -2.966
   82   1HB   PHE  15          2HB       PHE  15  -0.424   8.543  -3.459
   83   2HB   PHE  15          1HB       PHE  15   0.769   8.363  -2.173
   84    HD1  PHE  15           1HD      PHE  15   0.201   8.369  -5.746
   85    HD2  PHE  15           2HD      PHE  15   2.956   7.176  -2.673
   86    HE1  PHE  15           1HE      PHE  15   2.000   8.157  -7.441
   87    HE2  PHE  15           2HE      PHE  15   4.754   6.965  -4.369
   88    HZ   PHE  15           HZ       PHE  15   4.276   7.455  -6.753
   89    H    CYS  16           H        CYS  16   1.284   6.551  -0.665
   90    HA   CYS  16           HA       CYS  16  -1.037   6.365   1.232
   91   1HB   CYS  16          2HB       CYS  16   1.733   5.121   1.408
   92   2HB   CYS  16          1HB       CYS  16   0.427   4.902   2.576
   93    H    CYS  17           H        CYS  17   0.937   6.554   3.502
   94    HA   CYS  17           HA       CYS  17   1.155   9.498   3.530
   95   1HB   CYS  17          2HB       CYS  17   0.341   7.774   5.369
   96   2HB   CYS  17          1HB       CYS  17   2.062   7.690   5.746
   97    H    SER  18           H        SER  18   3.457   7.031   4.718
   98    HA   SER  18           HA       SER  18   5.628   8.047   3.017
   99   1HB   SER  18          2HB       SER  18   6.931   8.892   4.959
  100   2HB   SER  18          1HB       SER  18   5.421   9.776   4.761
  101    HG   SER  18           HG       SER  18   5.605   9.217   6.904
  102    H    GLY  19           H        GLY  19   6.718   6.195   2.530
  103   1HA   GLY  19          2HA       GLY  19   8.027   4.264   2.953
  104   2HA   GLY  19          1HA       GLY  19   7.615   4.391   4.662
  105    H    TYR  20           H        TYR  20   5.089   4.459   2.235
  106    HA   TYR  20           HA       TYR  20   4.422   1.593   2.765
  107   1HB   TYR  20          2HB       TYR  20   2.597   4.002   3.080
  108   2HB   TYR  20          1HB       TYR  20   2.066   2.326   3.170
  109    HD1  TYR  20           1HD      TYR  20   3.396   0.799   4.872
  110    HD2  TYR  20           2HD      TYR  20   3.236   5.087   5.048
  111    HE1  TYR  20           1HE      TYR  20   4.010   0.724   7.273
  112    HE2  TYR  20           2HE      TYR  20   3.852   5.012   7.447
  113    HH   TYR  20           HH       TYR  20   5.257   2.965   8.925
  114    H    ASN  21           H        ASN  21   3.135   0.653   1.052
  115    HA   ASN  21           HA       ASN  21   2.666   2.378  -1.349
  116   1HB   ASN  21          2HB       ASN  21   4.727   0.439  -0.935
  117   2HB   ASN  21          1HB       ASN  21   3.614  -0.209  -2.138
  118   1HD2  ASN  21          1HD2      ASN  21   2.978   1.515  -3.914
  119   2HD2  ASN  21          2HD2      ASN  21   4.241   2.504  -4.469
  120    H    CYS  22           H        CYS  22   0.656   1.988  -2.211
  121    HA   CYS  22           HA       CYS  22  -1.153   0.050  -1.062
  122   1HB   CYS  22          2HB       CYS  22  -1.952   2.129  -1.991
  123   2HB   CYS  22          1HB       CYS  22  -1.189   1.790  -3.544
  124    H    SER  23           H        SER  23  -1.961  -1.889  -2.006
  125    HA   SER  23           HA       SER  23  -0.309  -3.018  -4.247
  126   1HB   SER  23          2HB       SER  23  -0.672  -3.836  -1.560
  127   2HB   SER  23          1HB       SER  23  -1.569  -4.988  -2.544
  128    HG   SER  23           HG       SER  23   0.808  -5.319  -2.163
  129    HA   PRO  24           HA       PRO  24  -4.239  -3.437  -6.254
  130   1HB   PRO  24          2HB       PRO  24  -3.466  -5.055  -8.315
  131   2HB   PRO  24          1HB       PRO  24  -3.076  -3.326  -8.245
  132   1HG   PRO  24          2HG       PRO  24  -1.363  -5.675  -7.665
  133   2HG   PRO  24          1HG       PRO  24  -0.939  -4.119  -8.390
  134   1HD   PRO  24          2HD       PRO  24  -0.434  -4.829  -5.770
  135   2HD   PRO  24          1HD       PRO  24  -0.526  -3.159  -6.371
  136    H    THR  25           H        THR  25  -2.306  -6.392  -5.730
  137    HA   THR  25           HA       THR  25  -4.544  -8.221  -5.941
  138    HB   THR  25           HB       THR  25  -1.765  -8.423  -4.741
  139    HG1  THR  25           1HG      THR  25  -1.215  -8.694  -6.729
  140   1HG2  THR  25          1HG2      THR  25  -2.983 -10.193  -3.739
  141   2HG2  THR  25          2HG2      THR  25  -2.191 -10.927  -5.133
  142   3HG2  THR  25          3HG2      THR  25  -3.901 -10.503  -5.214
  143    H    TRP  26           H        TRP  26  -3.036  -6.471  -3.260
  144    HA   TRP  26           HA       TRP  26  -4.752  -7.890  -1.284
  145   1HB   TRP  26          2HB       TRP  26  -2.631  -5.755  -0.893
  146   2HB   TRP  26          1HB       TRP  26  -3.300  -6.817   0.342
  147    HD1  TRP  26           HD       TRP  26  -0.879  -6.767  -2.586
  148    HE1  TRP  26           1HE      TRP  26   0.515  -8.931  -2.571
  149    HE3  TRP  26           3HE      TRP  26  -3.323  -9.368   1.068
  150    HZ2  TRP  26           2HZ      TRP  26   0.591 -11.431  -1.192
  151    HZ3  TRP  26           3HZ      TRP  26  -2.567 -11.637   1.710
  152    HH2  TRP  26           HH       TRP  26  -0.615 -12.673   0.587
  153    H    LYS  27           H        LYS  27  -4.575  -4.885  -3.032
  154    HA   LYS  27           HA       LYS  27  -6.100  -3.102  -3.166
  155   1HB   LYS  27          2HB       LYS  27  -7.533  -5.306  -2.269
  156   2HB   LYS  27          1HB       LYS  27  -7.924  -4.057  -1.085
  157   1HG   LYS  27          2HG       LYS  27  -9.532  -3.758  -2.797
  158   2HG   LYS  27          1HG       LYS  27  -8.322  -2.516  -3.115
  159   1HD   LYS  27          2HD       LYS  27  -7.237  -4.469  -4.577
  160   2HD   LYS  27          1HD       LYS  27  -8.910  -5.024  -4.629
  161   1HE   LYS  27          2HE       LYS  27  -9.653  -2.907  -5.565
  162   2HE   LYS  27          1HE       LYS  27  -8.037  -2.204  -5.354
  163   1HZ   LYS  27          1HZ       LYS  27  -7.130  -3.907  -6.803
  164   2HZ   LYS  27          2HZ       LYS  27  -8.351  -3.048  -7.614
  165   3HZ   LYS  27          3HZ       LYS  27  -8.666  -4.600  -7.002
  166    H    TRP  28           H        TRP  28  -4.118  -3.642  -0.612
  167    HA   TRP  28           HA       TRP  28  -4.971  -1.085   0.671
  168   1HB   TRP  28          2HB       TRP  28  -4.598  -2.068   2.888
  169   2HB   TRP  28          1HB       TRP  28  -5.805  -2.991   2.005
  170    HD1  TRP  28           HD       TRP  28  -1.920  -3.182   2.243
  171    HE1  TRP  28           1HE      TRP  28  -1.284  -5.653   2.606
  172    HE3  TRP  28           3HE      TRP  28  -6.561  -5.295   2.278
  173    HZ2  TRP  28           2HZ      TRP  28  -2.569  -8.188   2.873
  174    HZ3  TRP  28           3HZ      TRP  28  -6.831  -7.739   2.587
  175    HH2  TRP  28           HH       TRP  28  -4.841  -9.188   2.884
  176    H    CYS  29           H        CYS  29  -3.149  -0.197   2.084
  177    HA   CYS  29           HA       CYS  29  -0.637  -0.306   0.537
  178   1HB   CYS  29          2HB       CYS  29  -1.895   1.768   1.367
  179   2HB   CYS  29          1HB       CYS  29  -1.316   1.347   2.978
  180    H    VAL  30           H        VAL  30   1.351  -0.947   1.379
  181    HA   VAL  30           HA       VAL  30   1.395  -2.163   4.120
  182    HB   VAL  30           HB       VAL  30   2.753  -4.011   3.093
  183   1HG1  VAL  30          1HG1      VAL  30   0.342  -4.321   3.424
  184   2HG1  VAL  30          2HG1      VAL  30   0.862  -5.116   1.937
  185   3HG1  VAL  30          3HG1      VAL  30   0.019  -3.569   1.861
  186   1HG2  VAL  30          1HG2      VAL  30   2.961  -4.218   0.715
  187   2HG2  VAL  30          2HG2      VAL  30   3.452  -2.569   1.103
  188   3HG2  VAL  30          3HG2      VAL  30   1.850  -2.878   0.434
  189    H    TYR  31           H        TYR  31   3.928  -2.728   4.531
  190    HA   TYR  31           HA       TYR  31   5.322  -0.211   4.596
  191   1HB   TYR  31          2HB       TYR  31   5.648  -2.969   5.487
  192   2HB   TYR  31          1HB       TYR  31   7.183  -2.280   4.961
  193    HD1  TYR  31           1HD      TYR  31   5.302  -2.771   7.780
  194    HD2  TYR  31           2HD      TYR  31   7.271   0.423   5.686
  195    HE1  TYR  31           1HE      TYR  31   5.447  -1.476   9.890
  196    HE2  TYR  31           2HE      TYR  31   7.414   1.717   7.797
  197    HH   TYR  31           HH       TYR  31   7.284   0.611  10.643
  198    H    ALA  32           H        ALA  32   6.654   0.705   3.093
  199    HA   ALA  32           HA       ALA  32   6.948  -0.400   0.444
  200   1HB   ALA  32          1HB       ALA  32   7.982   1.939   2.016
  201   2HB   ALA  32          2HB       ALA  32   6.993   1.926   0.553
  202   3HB   ALA  32          3HB       ALA  32   8.719   1.576   0.454
  203    H    ARG  33           H        ARG  33   8.844  -1.249  -0.562
  204    HA   ARG  33           HA       ARG  33  11.155  -1.915   1.218
  205   1HB   ARG  33          2HB       ARG  33  11.037  -4.248   0.418
  206   2HB   ARG  33          1HB       ARG  33   9.533  -3.788   1.213
  207   1HG   ARG  33          2HG       ARG  33   8.461  -3.401  -0.943
  208   2HG   ARG  33          1HG       ARG  33   9.978  -3.714  -1.788
  209   1HD   ARG  33          2HD       ARG  33   9.835  -6.008  -0.402
  210   2HD   ARG  33          1HD       ARG  33   8.101  -5.647  -0.500
  211    HE   ARG  33           HE       ARG  33   9.758  -5.501  -2.979
  212   1HH1  ARG  33          1HH1      ARG  33   8.481  -8.078  -1.474
  213   2HH1  ARG  33          2HH1      ARG  33   7.224  -8.418  -2.617
  214   1HH2  ARG  33          1HH2      ARG  33   7.582  -5.407  -4.308
  215   2HH2  ARG  33          2HH2      ARG  33   6.713  -6.903  -4.224
  216    HA   PRO  34           HA       PRO  34  13.574  -0.907  -2.320
  217   1HB   PRO  34          2HB       PRO  34  15.717  -2.585  -2.017
  218   2HB   PRO  34          1HB       PRO  34  15.451  -1.160  -0.993
  219   1HG   PRO  34          2HG       PRO  34  14.894  -4.028  -0.427
  220   2HG   PRO  34          1HG       PRO  34  15.526  -2.767   0.644
  221   1HD   PRO  34          2HD       PRO  34  12.936  -3.612   0.688
  222   2HD   PRO  34          1HD       PRO  34  13.439  -1.974   1.159
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1  -6.030  10.423   2.217
    2   2H    GLY   1          2HT       GLY   1  -5.439   9.987   0.685
    3   3H    GLY   1          3HT       GLY   1  -6.398  11.379   0.866
    4   1HA   GLY   1          2HA       GLY   1  -4.153  12.092   0.635
    5   2HA   GLY   1          1HA       GLY   1  -4.648  12.342   2.309
    6    H    CYS   2           H        CYS   2  -4.141  10.472   3.823
    7    HA   CYS   2           HA       CYS   2  -1.474   9.295   3.108
    8   1HB   CYS   2          2HB       CYS   2  -1.227  10.845   4.883
    9   2HB   CYS   2          1HB       CYS   2  -2.739  10.347   5.641
   10    H    GLY   3           H        GLY   3  -1.241   7.075   3.284
   11   1HA   GLY   3          2HA       GLY   3  -3.230   5.489   4.787
   12   2HA   GLY   3          1HA       GLY   3  -3.146   5.187   3.051
   13    H    GLY   4           H        GLY   4  -2.112   3.932   5.862
   14   1HA   GLY   4          2HA       GLY   4   0.106   2.506   4.563
   15   2HA   GLY   4          1HA       GLY   4   0.577   3.490   5.948
   16    H    LEU   5           H        LEU   5   0.861   0.681   5.936
   17    HA   LEU   5           HA       LEU   5   0.407  -1.212   7.257
   18   1HB   LEU   5          2HB       LEU   5  -0.132   1.226   8.797
   19   2HB   LEU   5          1HB       LEU   5  -1.012  -0.171   9.415
   20    HG   LEU   5           HG       LEU   5   1.202   0.013  10.481
   21   1HD1  LEU   5          1HD1      LEU   5   0.074  -2.241   9.684
   22   2HD1  LEU   5          2HD1      LEU   5   1.704  -2.251  10.355
   23   3HD1  LEU   5          3HD1      LEU   5   1.469  -2.312   8.608
   24   1HD2  LEU   5          1HD2      LEU   5   3.221   0.048   9.282
   25   2HD2  LEU   5          2HD2      LEU   5   2.177   1.079   8.303
   26   3HD2  LEU   5          3HD2      LEU   5   2.472  -0.591   7.817
   27    H    MET   6           H        MET   6  -1.104  -2.054   5.630
   28    HA   MET   6           HA       MET   6  -3.160  -2.970   4.950
   29   1HB   MET   6          2HB       MET   6  -3.381  -2.601   7.932
   30   2HB   MET   6          1HB       MET   6  -4.763  -3.210   7.025
   31   1HG   MET   6          2HG       MET   6  -3.775  -5.236   7.348
   32   2HG   MET   6          1HG       MET   6  -2.763  -4.748   5.989
   33   1HE   MET   6          1HE       MET   6  -2.515  -6.403   9.270
   34   2HE   MET   6          2HE       MET   6  -0.780  -6.582   9.023
   35   3HE   MET   6          3HE       MET   6  -1.890  -6.886   7.688
   36    H    ALA   7           H        ALA   7  -2.816  -0.166   4.500
   37    HA   ALA   7           HA       ALA   7  -5.361   1.160   5.243
   38   1HB   ALA   7          1HB       ALA   7  -3.552   2.437   3.301
   39   2HB   ALA   7          2HB       ALA   7  -2.757   1.959   4.800
   40   3HB   ALA   7          3HB       ALA   7  -4.146   3.044   4.847
   41    H    GLY   8           H        GLY   8  -7.100   0.424   4.038
   42   1HA   GLY   8          2HA       GLY   8  -6.987  -0.649   1.401
   43   2HA   GLY   8          1HA       GLY   8  -8.443  -0.013   2.166
   44    H    CYS   9           H        CYS   9  -6.162   0.511  -0.286
   45    HA   CYS   9           HA       CYS   9  -6.953   3.389  -0.559
   46   1HB   CYS   9          2HB       CYS   9  -4.891   3.536  -1.927
   47   2HB   CYS   9          1HB       CYS   9  -4.555   2.910  -0.315
   48    H    ASP  10           H        ASP  10  -6.843   0.275  -2.245
   49    HA   ASP  10           HA       ASP  10  -7.923  -0.458  -4.209
   50   1HB   ASP  10          2HB       ASP  10  -9.712   0.887  -2.782
   51   2HB   ASP  10          1HB       ASP  10  -9.592   2.040  -4.111
   52    H    GLY  11           H        GLY  11  -5.733   0.246  -5.221
   53   1HA   GLY  11          2HA       GLY  11  -6.140   1.524  -7.701
   54   2HA   GLY  11          1HA       GLY  11  -5.519   2.756  -6.601
   55    H    LYS  12           H        LYS  12  -4.517   0.700  -8.904
   56    HA   LYS  12           HA       LYS  12  -2.241  -0.662  -7.843
   57   1HB   LYS  12          2HB       LYS  12  -1.592  -0.816 -10.191
   58   2HB   LYS  12          1HB       LYS  12  -3.341  -0.998 -10.070
   59   1HG   LYS  12          2HG       LYS  12  -2.628   1.803 -10.342
   60   2HG   LYS  12          1HG       LYS  12  -1.942   0.859 -11.661
   61   1HD   LYS  12          2HD       LYS  12  -4.009   0.232 -12.477
   62   2HD   LYS  12          1HD       LYS  12  -4.778   0.314 -10.892
   63   1HE   LYS  12          2HE       LYS  12  -3.758   2.861 -12.123
   64   2HE   LYS  12          1HE       LYS  12  -5.300   2.187 -12.687
   65   1HZ   LYS  12          1HZ       LYS  12  -5.942   1.963 -10.309
   66   2HZ   LYS  12          2HZ       LYS  12  -5.754   3.575 -10.813
   67   3HZ   LYS  12          3HZ       LYS  12  -4.545   2.827  -9.884
   68    H    SER  13           H        SER  13  -2.756   2.724  -8.466
   69    HA   SER  13           HA       SER  13   0.127   3.260  -7.842
   70   1HB   SER  13          2HB       SER  13  -0.020   5.100  -9.537
   71   2HB   SER  13          1HB       SER  13  -0.239   3.504 -10.244
   72    HG   SER  13           HG       SER  13  -1.964   5.611 -10.078
   73    H    THR  14           H        THR  14  -2.240   3.268  -6.085
   74    HA   THR  14           HA       THR  14  -3.267   5.918  -5.662
   75    HB   THR  14           HB       THR  14  -4.150   3.693  -4.818
   76    HG1  THR  14           1HG      THR  14  -3.722   5.502  -2.693
   77   1HG2  THR  14          1HG2      THR  14  -2.690   3.708  -2.333
   78   2HG2  THR  14          2HG2      THR  14  -1.561   3.553  -3.678
   79   3HG2  THR  14          3HG2      THR  14  -2.879   2.398  -3.498
   80    H    PHE  15           H        PHE  15  -2.723   7.340  -3.786
   81    HA   PHE  15           HA       PHE  15   0.229   7.445  -3.345
   82   1HB   PHE  15          2HB       PHE  15  -0.818   9.418  -4.301
   83   2HB   PHE  15          1HB       PHE  15  -2.037   9.441  -3.027
   84    HD1  PHE  15           1HD      PHE  15  -1.686  10.763  -1.138
   85    HD2  PHE  15           2HD      PHE  15   1.690   9.509  -3.479
   86    HE1  PHE  15           1HE      PHE  15  -0.193  12.143   0.281
   87    HE2  PHE  15           2HE      PHE  15   3.185  10.890  -2.061
   88    HZ   PHE  15           HZ       PHE  15   2.244  12.205  -0.180
   89    H    CYS  16           H        CYS  16   0.890   6.498  -1.465
   90    HA   CYS  16           HA       CYS  16  -0.954   6.329   0.862
   91   1HB   CYS  16          2HB       CYS  16   1.663   5.073   0.017
   92   2HB   CYS  16          1HB       CYS  16   1.069   4.895   1.667
   93    H    CYS  17           H        CYS  17   0.927   6.354   2.960
   94    HA   CYS  17           HA       CYS  17   1.401   9.235   3.234
   95   1HB   CYS  17          2HB       CYS  17   0.885   7.042   4.899
   96   2HB   CYS  17          1HB       CYS  17   2.537   7.513   5.297
   97    H    SER  18           H        SER  18   3.680   6.645   4.116
   98    HA   SER  18           HA       SER  18   5.756   7.565   2.263
   99   1HB   SER  18          2HB       SER  18   7.243   8.320   4.156
  100   2HB   SER  18          1HB       SER  18   5.827   9.342   3.927
  101    HG   SER  18           HG       SER  18   6.553   7.820   6.056
  102    H    GLY  19           H        GLY  19   6.942   5.749   1.812
  103   1HA   GLY  19          2HA       GLY  19   8.109   3.731   2.166
  104   2HA   GLY  19          1HA       GLY  19   7.830   3.923   3.898
  105    H    TYR  20           H        TYR  20   4.990   4.119   1.925
  106    HA   TYR  20           HA       TYR  20   4.315   1.276   2.611
  107   1HB   TYR  20          2HB       TYR  20   2.585   3.770   2.672
  108   2HB   TYR  20          1HB       TYR  20   1.997   2.135   2.972
  109    HD1  TYR  20           1HD      TYR  20   2.794   5.000   4.626
  110    HD2  TYR  20           2HD      TYR  20   3.834   0.835   4.674
  111    HE1  TYR  20           1HE      TYR  20   3.483   5.201   6.997
  112    HE2  TYR  20           2HE      TYR  20   4.523   1.034   7.047
  113    HH   TYR  20           HH       TYR  20   5.304   3.648   8.515
  114    H    ASN  21           H        ASN  21   3.787   0.094   0.834
  115    HA   ASN  21           HA       ASN  21   2.991   1.544  -1.666
  116   1HB   ASN  21          2HB       ASN  21   5.164   0.025  -1.280
  117   2HB   ASN  21          1HB       ASN  21   4.021  -1.265  -1.648
  118   1HD2  ASN  21          1HD2      ASN  21   2.745  -0.966  -3.758
  119   2HD2  ASN  21          2HD2      ASN  21   3.521  -0.176  -5.046
  120    H    CYS  22           H        CYS  22   1.031   0.992  -2.565
  121    HA   CYS  22           HA       CYS  22  -0.747  -0.814  -1.073
  122   1HB   CYS  22          2HB       CYS  22  -0.904   1.350  -3.056
  123   2HB   CYS  22          1HB       CYS  22  -2.076   0.061  -3.335
  124    H    SER  23           H        SER  23  -1.402  -2.829  -1.755
  125    HA   SER  23           HA       SER  23  -0.014  -3.980  -4.123
  126   1HB   SER  23          2HB       SER  23   0.033  -4.955  -1.770
  127   2HB   SER  23          1HB       SER  23  -1.674  -5.332  -1.980
  128    HG   SER  23           HG       SER  23   0.557  -6.527  -3.048
  129    HA   PRO  24           HA       PRO  24  -3.819  -3.866  -6.401
  130   1HB   PRO  24          2HB       PRO  24  -3.149  -5.652  -8.366
  131   2HB   PRO  24          1HB       PRO  24  -2.531  -3.989  -8.320
  132   1HG   PRO  24          2HG       PRO  24  -1.209  -6.524  -7.496
  133   2HG   PRO  24          1HG       PRO  24  -0.527  -5.111  -8.315
  134   1HD   PRO  24          2HD       PRO  24  -0.195  -5.619  -5.657
  135   2HD   PRO  24          1HD       PRO  24  -0.172  -3.985  -6.354
  136    H    THR  25           H        THR  25  -2.388  -6.898  -5.281
  137    HA   THR  25           HA       THR  25  -4.859  -8.443  -5.720
  138    HB   THR  25           HB       THR  25  -2.527  -9.362  -4.060
  139    HG1  THR  25           1HG      THR  25  -2.525  -9.083  -6.889
  140   1HG2  THR  25          1HG2      THR  25  -4.641 -10.716  -4.720
  141   2HG2  THR  25          2HG2      THR  25  -3.065 -11.478  -4.938
  142   3HG2  THR  25          3HG2      THR  25  -3.911 -10.789  -6.323
  143    H    TRP  26           H        TRP  26  -3.273  -6.741  -3.067
  144    HA   TRP  26           HA       TRP  26  -5.194  -7.878  -1.088
  145   1HB   TRP  26          2HB       TRP  26  -2.851  -5.988  -0.719
  146   2HB   TRP  26          1HB       TRP  26  -3.688  -6.886   0.540
  147    HD1  TRP  26           HD       TRP  26  -3.834  -9.635  -1.265
  148    HE1  TRP  26           1HE      TRP  26  -1.689 -11.056  -1.431
  149    HE3  TRP  26           3HE      TRP  26  -0.352  -6.132   0.037
  150    HZ2  TRP  26           2HZ      TRP  26   1.130 -10.747  -1.058
  151    HZ3  TRP  26           3HZ      TRP  26   2.051  -6.721   0.124
  152    HH2  TRP  26           HH       TRP  26   2.798  -9.021  -0.421
  153    H    LYS  27           H        LYS  27  -4.428  -4.903  -2.795
  154    HA   LYS  27           HA       LYS  27  -5.724  -2.962  -3.105
  155   1HB   LYS  27          2HB       LYS  27  -7.523  -4.904  -2.241
  156   2HB   LYS  27          1HB       LYS  27  -7.801  -3.552  -1.142
  157   1HG   LYS  27          2HG       LYS  27  -8.852  -2.390  -2.756
  158   2HG   LYS  27          1HG       LYS  27  -7.472  -2.572  -3.840
  159   1HD   LYS  27          2HD       LYS  27  -8.318  -4.499  -4.823
  160   2HD   LYS  27          1HD       LYS  27  -9.292  -4.915  -3.412
  161   1HE   LYS  27          2HE       LYS  27 -10.858  -3.098  -3.901
  162   2HE   LYS  27          1HE       LYS  27  -9.855  -2.570  -5.266
  163   1HZ   LYS  27          1HZ       LYS  27 -10.137  -4.724  -6.295
  164   2HZ   LYS  27          2HZ       LYS  27 -11.664  -4.052  -5.976
  165   3HZ   LYS  27          3HZ       LYS  27 -11.048  -5.280  -4.976
  166    H    TRP  28           H        TRP  28  -4.318  -3.893  -0.163
  167    HA   TRP  28           HA       TRP  28  -4.974  -1.247   1.075
  168   1HB   TRP  28          2HB       TRP  28  -4.322  -2.307   3.188
  169   2HB   TRP  28          1HB       TRP  28  -5.538  -3.280   2.372
  170    HD1  TRP  28           HD       TRP  28  -1.648  -3.184   2.107
  171    HE1  TRP  28           1HE      TRP  28  -0.790  -5.602   2.313
  172    HE3  TRP  28           3HE      TRP  28  -6.075  -5.638   2.768
  173    HZ2  TRP  28           2HZ      TRP  28  -1.838  -8.231   2.716
  174    HZ3  TRP  28           3HZ      TRP  28  -6.116  -8.097   3.065
  175    HH2  TRP  28           HH       TRP  28  -4.004  -9.396   3.039
  176    H    CYS  29           H        CYS  29  -3.073  -0.319   2.383
  177    HA   CYS  29           HA       CYS  29  -0.595  -0.472   0.715
  178   1HB   CYS  29          2HB       CYS  29  -2.028   1.666   1.158
  179   2HB   CYS  29          1HB       CYS  29  -1.281   1.642   2.756
  180    H    VAL  30           H        VAL  30   1.220  -1.325   1.631
  181    HA   VAL  30           HA       VAL  30   1.432  -1.459   4.613
  182    HB   VAL  30           HB       VAL  30   2.448  -3.798   4.146
  183   1HG1  VAL  30          1HG1      VAL  30  -0.491  -3.170   3.802
  184   2HG1  VAL  30          2HG1      VAL  30   0.351  -3.612   5.286
  185   3HG1  VAL  30          3HG1      VAL  30   0.124  -4.808   4.012
  186   1HG2  VAL  30          1HG2      VAL  30   1.871  -4.889   2.109
  187   2HG2  VAL  30          2HG2      VAL  30   2.494  -3.316   1.616
  188   3HG2  VAL  30          3HG2      VAL  30   0.755  -3.604   1.644
  189    H    TYR  31           H        TYR  31   3.805  -2.172   5.168
  190    HA   TYR  31           HA       TYR  31   5.645  -0.240   4.254
  191   1HB   TYR  31          2HB       TYR  31   5.599  -1.933   6.266
  192   2HB   TYR  31          1HB       TYR  31   6.506  -2.974   5.169
  193    HD1  TYR  31           1HD      TYR  31   8.829  -2.727   4.998
  194    HD2  TYR  31           2HD      TYR  31   6.465   0.533   6.497
  195    HE1  TYR  31           1HE      TYR  31  10.898  -1.459   5.504
  196    HE2  TYR  31           2HE      TYR  31   8.535   1.800   7.002
  197    HH   TYR  31           HH       TYR  31  11.193   1.525   5.815
  198    H    ALA  32           H        ALA  32   6.806  -0.056   2.386
  199    HA   ALA  32           HA       ALA  32   6.666  -2.172   0.339
  200   1HB   ALA  32          1HB       ALA  32   6.536   0.482   0.214
  201   2HB   ALA  32          2HB       ALA  32   7.267  -0.442  -1.099
  202   3HB   ALA  32          3HB       ALA  32   8.291   0.341   0.106
  203    H    ARG  33           H        ARG  33   8.748  -2.762  -0.839
  204    HA   ARG  33           HA       ARG  33  11.158  -2.774   0.929
  205   1HB   ARG  33          2HB       ARG  33  11.371  -5.207   0.554
  206   2HB   ARG  33          1HB       ARG  33   9.827  -4.830   1.314
  207   1HG   ARG  33          2HG       ARG  33   9.011  -4.695  -1.222
  208   2HG   ARG  33          1HG       ARG  33  10.391  -5.765  -1.472
  209   1HD   ARG  33          2HD       ARG  33   8.672  -7.302  -1.011
  210   2HD   ARG  33          1HD       ARG  33   9.369  -7.064   0.604
  211    HE   ARG  33           HE       ARG  33   7.551  -5.085   0.611
  212   1HH1  ARG  33          1HH1      ARG  33   6.946  -7.857   1.770
  213   2HH1  ARG  33          2HH1      ARG  33   5.419  -8.198   1.027
  214   1HH2  ARG  33          1HH2      ARG  33   5.729  -5.703  -1.370
  215   2HH2  ARG  33          2HH2      ARG  33   4.728  -6.976  -0.753
  216    HA   PRO  34           HA       PRO  34  13.051  -1.834  -2.964
  217   1HB   PRO  34          2HB       PRO  34  15.664  -2.222  -2.247
  218   2HB   PRO  34          1HB       PRO  34  14.726  -0.799  -1.756
  219   1HG   PRO  34          2HG       PRO  34  15.411  -3.240  -0.204
  220   2HG   PRO  34          1HG       PRO  34  15.307  -1.555   0.327
  221   1HD   PRO  34          2HD       PRO  34  13.363  -3.426   0.791
  222   2HD   PRO  34          1HD       PRO  34  13.058  -1.678   0.702