*HEADER    TOXIN                                   30-APR-05   1ZJQ              
*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    INHIBITOR CYSTINE KNOT MOTIF                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.LIAO                                                                
*REVDAT   1   24-MAY-05 1ZJQ    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#) 3.5 1.7 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) 6.0 4.2 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

!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#) 5.0 3.2 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#) 5.0 3.2 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#) 5.0 3.2 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
assign (resid 22 and name HA)(resid 29 and name HA) 2.7 0.9 0.0

!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) 5.0 3.2 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

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

   Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  13.044   5.672   3.983
    2   2H    GLY   1          2HT       GLY   1  11.714   6.276   4.852
    3   3H    GLY   1          3HT       GLY   1  11.774   6.438   3.161
    4   1HA   GLY   1          2HA       GLY   1  11.402   4.180   2.788
    5   2HA   GLY   1          1HA       GLY   1  11.783   3.784   4.464
    6    H    CYS   2           H        CYS   2   9.544   6.026   2.774
    7    HA   CYS   2           HA       CYS   2   7.391   5.093   4.649
    8   1HB   CYS   2          2HB       CYS   2   8.491   7.684   4.048
    9   2HB   CYS   2          1HB       CYS   2   6.800   7.651   3.547
   10    H    GLY   3           H        GLY   3   5.942   3.863   3.537
   11   1HA   GLY   3          2HA       GLY   3   5.690   4.052   0.626
   12   2HA   GLY   3          1HA       GLY   3   4.815   2.936   1.674
   13    H    GLY   4           H        GLY   4   4.440   5.593  -0.284
   14   1HA   GLY   4          2HA       GLY   4   2.134   6.683   1.258
   15   2HA   GLY   4          1HA       GLY   4   2.901   7.474  -0.120
   16    H    LEU   5           H        LEU   5   2.103   7.067  -2.164
   17    HA   LEU   5           HA       LEU   5  -0.245   5.226  -2.333
   18   1HB   LEU   5          2HB       LEU   5   0.465   7.862  -3.313
   19   2HB   LEU   5          1HB       LEU   5  -0.020   6.814  -4.648
   20    HG   LEU   5           HG       LEU   5  -1.624   7.028  -2.094
   21   1HD1  LEU   5          1HD1      LEU   5  -1.319   9.234  -3.394
   22   2HD1  LEU   5          2HD1      LEU   5  -2.972   8.711  -3.074
   23   3HD1  LEU   5          3HD1      LEU   5  -2.263   8.466  -4.670
   24   1HD2  LEU   5          1HD2      LEU   5  -3.274   5.843  -3.257
   25   2HD2  LEU   5          2HD2      LEU   5  -1.798   5.098  -3.870
   26   3HD2  LEU   5          3HD2      LEU   5  -2.638   6.312  -4.835
   27    H    MET   6           H        MET   6   3.045   5.256  -3.144
   28    HA   MET   6           HA       MET   6   2.605   3.078  -5.132
   29   1HB   MET   6          2HB       MET   6   3.122   5.627  -5.924
   30   2HB   MET   6          1HB       MET   6   4.768   5.026  -5.727
   31   1HG   MET   6          2HG       MET   6   4.194   4.508  -7.976
   32   2HG   MET   6          1HG       MET   6   4.016   2.988  -7.099
   33   1HE   MET   6          1HE       MET   6   1.101   5.705  -9.090
   34   2HE   MET   6          2HE       MET   6   2.667   6.074  -8.372
   35   3HE   MET   6          3HE       MET   6   1.210   6.177  -7.388
   36    H    ALA   7           H        ALA   7   3.328   2.694  -2.475
   37    HA   ALA   7           HA       ALA   7   6.228   2.596  -2.110
   38   1HB   ALA   7          1HB       ALA   7   4.290   0.940  -0.542
   39   2HB   ALA   7          2HB       ALA   7   4.139   2.696  -0.458
   40   3HB   ALA   7          3HB       ALA   7   5.643   1.916   0.030
   41    H    GLY   8           H        GLY   8   6.460  -0.012  -0.994
   42   1HA   GLY   8          2HA       GLY   8   6.259  -1.697  -3.464
   43   2HA   GLY   8          1HA       GLY   8   7.619  -1.786  -2.348
   44    H    CYS   9           H        CYS   9   4.808  -3.313  -3.208
   45    HA   CYS   9           HA       CYS   9   4.255  -4.358  -0.458
   46   1HB   CYS   9          2HB       CYS   9   2.581  -3.409  -2.358
   47   2HB   CYS   9          1HB       CYS   9   2.611  -5.107  -2.828
   48    H    ASP  10           H        ASP  10   6.563  -5.114  -2.354
   49    HA   ASP  10           HA       ASP  10   6.071  -7.782  -3.347
   50   1HB   ASP  10          2HB       ASP  10   7.854  -6.238  -4.127
   51   2HB   ASP  10          1HB       ASP  10   8.642  -6.372  -2.555
   52    H    GLY  11           H        GLY  11   7.089  -6.490  -0.229
   53   1HA   GLY  11          2HA       GLY  11   8.053  -8.994   0.854
   54   2HA   GLY  11          1HA       GLY  11   7.650  -7.555   1.787
   55    H    LYS  12           H        LYS  12   4.898  -7.793   0.223
   56    HA   LYS  12           HA       LYS  12   2.778  -8.686   0.642
   57   1HB   LYS  12          2HB       LYS  12   2.835 -10.946   0.513
   58   2HB   LYS  12          1HB       LYS  12   4.587 -10.795   0.536
   59   1HG   LYS  12          2HG       LYS  12   4.267 -10.749   3.150
   60   2HG   LYS  12          1HG       LYS  12   2.719 -11.505   2.778
   61   1HD   LYS  12          2HD       LYS  12   3.687 -13.457   2.067
   62   2HD   LYS  12          1HD       LYS  12   5.095 -12.634   1.396
   63   1HE   LYS  12          2HE       LYS  12   4.746 -12.604   4.375
   64   2HE   LYS  12          1HE       LYS  12   5.333 -14.092   3.608
   65   1HZ   LYS  12          1HZ       LYS  12   7.180 -13.052   2.771
   66   2HZ   LYS  12          2HZ       LYS  12   6.996 -12.188   4.222
   67   3HZ   LYS  12          3HZ       LYS  12   6.463 -11.514   2.757
   68    H    SER  13           H        SER  13   4.696  -7.415   2.915
   69    HA   SER  13           HA       SER  13   2.570  -7.402   4.949
   70   1HB   SER  13          2HB       SER  13   4.072  -8.358   6.685
   71   2HB   SER  13          1HB       SER  13   3.777  -9.503   5.381
   72    HG   SER  13           HG       SER  13   5.805  -9.348   4.782
   73    H    THR  14           H        THR  14   3.913  -5.364   3.314
   74    HA   THR  14           HA       THR  14   5.844  -3.941   4.980
   75    HB   THR  14           HB       THR  14   5.680  -3.887   2.459
   76    HG1  THR  14           1HG      THR  14   6.810  -2.213   3.106
   77   1HG2  THR  14          1HG2      THR  14   3.133  -2.406   3.133
   78   2HG2  THR  14          2HG2      THR  14   3.341  -3.788   2.056
   79   3HG2  THR  14          3HG2      THR  14   3.955  -2.202   1.586
   80    H    PHE  15           H        PHE  15   5.362  -1.666   5.781
   81    HA   PHE  15           HA       PHE  15   2.570  -1.509   6.882
   82   1HB   PHE  15          2HB       PHE  15   4.533  -1.911   8.430
   83   2HB   PHE  15          1HB       PHE  15   5.143  -0.323   7.969
   84    HD1  PHE  15           1HD      PHE  15   4.852   1.095   9.818
   85    HD2  PHE  15           2HD      PHE  15   1.643  -1.509   8.636
   86    HE1  PHE  15           1HE      PHE  15   3.368   2.157  11.497
   87    HE2  PHE  15           2HE      PHE  15   0.162  -0.445  10.316
   88    HZ   PHE  15           HZ       PHE  15   1.024   1.388  11.746
   89    H    CYS  16           H        CYS  16   4.260  -0.182   4.417
   90    HA   CYS  16           HA       CYS  16   4.231   1.887   3.294
   91   1HB   CYS  16          2HB       CYS  16   1.650   2.259   4.840
   92   2HB   CYS  16          1HB       CYS  16   2.028   2.832   3.217
   93    H    CYS  17           H        CYS  17   2.982   4.362   4.320
   94    HA   CYS  17           HA       CYS  17   5.074   5.089   6.322
   95   1HB   CYS  17          2HB       CYS  17   4.866   6.242   4.082
   96   2HB   CYS  17          1HB       CYS  17   3.295   6.845   4.603
   97    H    SER  18           H        SER  18   1.827   6.424   5.680
   98    HA   SER  18           HA       SER  18   0.838   5.675   8.345
   99   1HB   SER  18          2HB       SER  18   2.423   7.772   8.414
  100   2HB   SER  18          1HB       SER  18   1.037   8.618   7.731
  101    HG   SER  18           HG       SER  18   0.097   8.514   9.608
  102    H    GLY  19           H        GLY  19  -1.212   5.053   7.776
  103   1HA   GLY  19          2HA       GLY  19  -3.451   5.357   7.075
  104   2HA   GLY  19          1HA       GLY  19  -3.022   6.972   6.513
  105    H    TYR  20           H        TYR  20  -1.645   3.794   5.625
  106    HA   TYR  20           HA       TYR  20  -2.708   4.123   2.848
  107   1HB   TYR  20          2HB       TYR  20   0.188   3.961   3.746
  108   2HB   TYR  20          1HB       TYR  20  -0.299   3.582   2.096
  109    HD1  TYR  20           1HD      TYR  20  -2.070   5.438   1.119
  110    HD2  TYR  20           2HD      TYR  20   0.944   6.117   4.098
  111    HE1  TYR  20           1HE      TYR  20  -2.082   7.856   0.579
  112    HE2  TYR  20           2HE      TYR  20   0.933   8.536   3.561
  113    HH   TYR  20           HH       TYR  20  -1.083  10.154   2.419
  114    H    ASN  21           H        ASN  21  -3.628   2.157   2.373
  115    HA   ASN  21           HA       ASN  21  -2.738  -0.294   3.784
  116   1HB   ASN  21          2HB       ASN  21  -5.125   0.200   3.589
  117   2HB   ASN  21          1HB       ASN  21  -4.981   0.351   1.838
  118   1HD2  ASN  21          1HD2      ASN  21  -5.447  -1.525   0.674
  119   2HD2  ASN  21          2HD2      ASN  21  -5.430  -3.096   1.317
  120    H    CYS  22           H        CYS  22  -1.960  -2.168   2.593
  121    HA   CYS  22           HA       CYS  22  -0.513  -1.447   0.119
  122   1HB   CYS  22          2HB       CYS  22   0.089  -2.943   2.305
  123   2HB   CYS  22          1HB       CYS  22  -0.437  -4.207   1.193
  124    H    SER  23           H        SER  23  -0.925  -2.311  -1.902
  125    HA   SER  23           HA       SER  23  -3.462  -3.876  -2.203
  126   1HB   SER  23          2HB       SER  23  -2.113  -1.651  -3.610
  127   2HB   SER  23          1HB       SER  23  -2.826  -2.864  -4.668
  128    HG   SER  23           HG       SER  23  -4.748  -2.240  -4.064
  129    HA   PRO  24           HA       PRO  24  -0.738  -7.143  -3.566
  130   1HB   PRO  24          2HB       PRO  24  -2.697  -8.961  -4.143
  131   2HB   PRO  24          1HB       PRO  24  -2.162  -8.606  -2.489
  132   1HG   PRO  24          2HG       PRO  24  -4.588  -7.688  -3.930
  133   2HG   PRO  24          1HG       PRO  24  -4.373  -8.097  -2.222
  134   1HD   PRO  24          2HD       PRO  24  -4.475  -5.530  -3.215
  135   2HD   PRO  24          1HD       PRO  24  -3.713  -5.991  -1.677
  136    H    THR  25           H        THR  25  -3.509  -5.961  -5.427
  137    HA   THR  25           HA       THR  25  -2.717  -7.216  -7.939
  138    HB   THR  25           HB       THR  25  -4.566  -4.874  -7.378
  139    HG1  THR  25           1HG      THR  25  -5.716  -6.301  -6.387
  140   1HG2  THR  25          1HG2      THR  25  -5.444  -6.650  -9.450
  141   2HG2  THR  25          2HG2      THR  25  -3.780  -6.172  -9.786
  142   3HG2  THR  25          3HG2      THR  25  -5.026  -4.942  -9.573
  143    H    TRP  26           H        TRP  26  -2.085  -4.124  -6.354
  144    HA   TRP  26           HA       TRP  26  -0.750  -3.066  -8.805
  145   1HB   TRP  26          2HB       TRP  26  -1.361  -1.762  -6.132
  146   2HB   TRP  26          1HB       TRP  26  -0.866  -0.944  -7.611
  147    HD1  TRP  26           HD       TRP  26  -3.839  -2.772  -6.048
  148    HE1  TRP  26           1HE      TRP  26  -5.959  -2.231  -7.405
  149    HE3  TRP  26           3HE      TRP  26  -1.762  -0.207  -9.943
  150    HZ2  TRP  26           2HZ      TRP  26  -6.681  -0.887  -9.821
  151    HZ3  TRP  26           3HZ      TRP  26  -3.188   0.693 -11.755
  152    HH2  TRP  26           HH       TRP  26  -5.643   0.357 -11.701
  153    H    LYS  27           H        LYS  27  -0.010  -4.478  -5.720
  154    HA   LYS  27           HA       LYS  27   2.042  -5.067  -4.749
  155   1HB   LYS  27          2HB       LYS  27   2.431  -5.220  -7.399
  156   2HB   LYS  27          1HB       LYS  27   3.563  -3.916  -7.039
  157   1HG   LYS  27          2HG       LYS  27   4.830  -5.916  -6.815
  158   2HG   LYS  27          1HG       LYS  27   4.458  -5.417  -5.164
  159   1HD   LYS  27          2HD       LYS  27   2.601  -6.994  -5.061
  160   2HD   LYS  27          1HD       LYS  27   2.849  -7.439  -6.751
  161   1HE   LYS  27          2HE       LYS  27   5.300  -8.007  -5.945
  162   2HE   LYS  27          1HE       LYS  27   4.528  -8.123  -4.352
  163   1HZ   LYS  27          1HZ       LYS  27   2.870  -9.604  -5.290
  164   2HZ   LYS  27          2HZ       LYS  27   4.426 -10.240  -5.539
  165   3HZ   LYS  27          3HZ       LYS  27   3.594  -9.494  -6.821
  166    H    TRP  28           H        TRP  28   0.889  -2.350  -4.308
  167    HA   TRP  28           HA       TRP  28   3.254  -1.198  -3.038
  168   1HB   TRP  28          2HB       TRP  28   3.198   0.932  -4.236
  169   2HB   TRP  28          1HB       TRP  28   3.466  -0.388  -5.360
  170    HD1  TRP  28           HD       TRP  28   0.201   1.224  -3.970
  171    HE1  TRP  28           1HE      TRP  28  -1.300   1.791  -5.986
  172    HE3  TRP  28           3HE      TRP  28   3.218  -0.313  -7.775
  173    HZ2  TRP  28           2HZ      TRP  28  -1.225   1.624  -8.839
  174    HZ3  TRP  28           3HZ      TRP  28   2.492  -0.093 -10.133
  175    HH2  TRP  28           HH       TRP  28   0.273   0.873 -10.669
  176    H    CYS  29           H        CYS  29   2.688   0.578  -1.577
  177    HA   CYS  29           HA       CYS  29   0.167   0.167  -0.251
  178   1HB   CYS  29          2HB       CYS  29   2.377   2.222  -0.036
  179   2HB   CYS  29          1HB       CYS  29   0.990   2.212   1.049
  180    H    VAL  30           H        VAL  30  -1.704   1.320  -0.348
  181    HA   VAL  30           HA       VAL  30  -1.853   3.771  -2.068
  182    HB   VAL  30           HB       VAL  30  -4.054   2.835  -2.867
  183   1HG1  VAL  30          1HG1      VAL  30  -1.984   2.559  -4.196
  184   2HG1  VAL  30          2HG1      VAL  30  -3.084   1.197  -4.404
  185   3HG1  VAL  30          3HG1      VAL  30  -1.667   1.035  -3.366
  186   1HG2  VAL  30          1HG2      VAL  30  -4.220   1.277  -0.819
  187   2HG2  VAL  30          2HG2      VAL  30  -3.127   0.206  -1.696
  188   3HG2  VAL  30          3HG2      VAL  30  -4.705   0.604  -2.375
  189    H    TYR  31           H        TYR  31  -4.493   4.409  -1.622
  190    HA   TYR  31           HA       TYR  31  -4.497   5.398   1.092
  191   1HB   TYR  31          2HB       TYR  31  -5.658   6.298  -1.025
  192   2HB   TYR  31          1HB       TYR  31  -6.881   5.055  -0.758
  193    HD1  TYR  31           1HD      TYR  31  -8.433   5.188   1.103
  194    HD2  TYR  31           2HD      TYR  31  -5.356   8.141   0.588
  195    HE1  TYR  31           1HE      TYR  31  -9.549   6.642   2.772
  196    HE2  TYR  31           2HE      TYR  31  -6.472   9.595   2.258
  197    HH   TYR  31           HH       TYR  31  -9.368   9.544   3.094
  198    H    ALA  32           H        ALA  32  -5.487   4.532   2.929
  199    HA   ALA  32           HA       ALA  32  -6.289   1.690   2.795
  200   1HB   ALA  32          1HB       ALA  32  -5.948   3.658   5.081
  201   2HB   ALA  32          2HB       ALA  32  -4.724   2.527   4.503
  202   3HB   ALA  32          3HB       ALA  32  -6.193   1.921   5.266
  203    H    ARG  33           H        ARG  33  -8.338   0.920   3.519
  204    HA   ARG  33           HA       ARG  33 -10.496   2.997   3.772
  205   1HB   ARG  33          2HB       ARG  33 -10.238   0.492   2.121
  206   2HB   ARG  33          1HB       ARG  33 -11.839   1.040   2.615
  207   1HG   ARG  33          2HG       ARG  33 -11.457   3.218   1.573
  208   2HG   ARG  33          1HG       ARG  33  -9.812   2.750   1.146
  209   1HD   ARG  33          2HD       ARG  33 -10.630   1.924  -0.801
  210   2HD   ARG  33          1HD       ARG  33 -11.490   0.693   0.143
  211    HE   ARG  33           HE       ARG  33 -13.103   2.907   0.427
  212   1HH1  ARG  33          1HH2      ARG  33 -13.698   0.454  -1.334
  213   2HH1  ARG  33          2HH2      ARG  33 -14.072   1.222  -2.840
  214   1HH2  ARG  33          1HH1      ARG  33 -12.711   4.284  -1.923
  215   2HH2  ARG  33          2HH1      ARG  33 -13.512   3.394  -3.175
  216    HA   PRO  34           HA       PRO  34 -10.454  -0.080   7.322
  217   1HB   PRO  34          2HB       PRO  34 -10.257   1.760   9.341
  218   2HB   PRO  34          1HB       PRO  34  -8.844   1.035   8.551
  219   1HG   PRO  34          2HG       PRO  34 -10.088   3.703   8.123
  220   2HG   PRO  34          1HG       PRO  34  -8.378   3.244   8.144
  221   1HD   PRO  34          2HD       PRO  34  -9.787   3.683   5.852
  222   2HD   PRO  34          1HD       PRO  34  -8.391   2.586   5.954
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1  10.305   4.403   7.526
    2   2H    GLY   1          2HT       GLY   1  11.763   4.932   6.833
    3   3H    GLY   1          3HT       GLY   1  10.530   4.303   5.848
    4   1HA   GLY   1          2HA       GLY   1  10.289   6.783   7.463
    5   2HA   GLY   1          1HA       GLY   1  10.679   6.746   5.743
    6    H    CYS   2           H        CYS   2   8.981   6.780   4.342
    7    HA   CYS   2           HA       CYS   2   6.330   5.721   5.214
    8   1HB   CYS   2          2HB       CYS   2   7.161   8.518   4.885
    9   2HB   CYS   2          1HB       CYS   2   5.732   8.114   3.936
   10    H    GLY   3           H        GLY   3   5.532   4.482   3.547
   11   1HA   GLY   3          2HA       GLY   3   6.796   4.452   0.940
   12   2HA   GLY   3          1HA       GLY   3   5.346   3.553   1.391
   13    H    GLY   4           H        GLY   4   3.288   4.828   1.481
   14   1HA   GLY   4          2HA       GLY   4   2.249   7.064   0.905
   15   2HA   GLY   4          1HA       GLY   4   3.331   7.088  -0.486
   16    H    LEU   5           H        LEU   5   1.591   7.153  -1.999
   17    HA   LEU   5           HA       LEU   5  -0.343   4.896  -2.000
   18   1HB   LEU   5          2HB       LEU   5  -0.592   7.546  -2.483
   19   2HB   LEU   5          1HB       LEU   5  -0.316   6.972  -4.129
   20    HG   LEU   5           HG       LEU   5  -2.284   5.513  -2.398
   21   1HD1  LEU   5          1HD1      LEU   5  -2.811   8.114  -3.870
   22   2HD1  LEU   5          2HD1      LEU   5  -2.932   7.852  -2.130
   23   3HD1  LEU   5          3HD1      LEU   5  -4.065   7.056  -3.223
   24   1HD2  LEU   5          1HD2      LEU   5  -1.586   5.806  -5.263
   25   2HD2  LEU   5          2HD2      LEU   5  -3.312   5.718  -4.920
   26   3HD2  LEU   5          3HD2      LEU   5  -2.243   4.415  -4.403
   27    H    MET   6           H        MET   6   2.741   5.398  -3.219
   28    HA   MET   6           HA       MET   6   2.332   3.324  -5.320
   29   1HB   MET   6          2HB       MET   6   3.442   6.117  -5.624
   30   2HB   MET   6          1HB       MET   6   3.931   4.834  -6.728
   31   1HG   MET   6          2HG       MET   6   2.076   5.298  -7.921
   32   2HG   MET   6          1HG       MET   6   1.150   4.598  -6.594
   33   1HE   MET   6          1HE       MET   6   0.136   6.732  -8.653
   34   2HE   MET   6          2HE       MET   6  -0.778   7.842  -7.636
   35   3HE   MET   6          3HE       MET   6  -0.897   6.106  -7.361
   36    H    ALA   7           H        ALA   7   3.457   3.050  -2.707
   37    HA   ALA   7           HA       ALA   7   6.391   3.196  -2.869
   38   1HB   ALA   7          1HB       ALA   7   4.821   1.669  -0.815
   39   2HB   ALA   7          2HB       ALA   7   4.681   3.425  -0.864
   40   3HB   ALA   7          3HB       ALA   7   6.253   2.673  -0.595
   41    H    GLY   8           H        GLY   8   7.092   0.797  -1.619
   42   1HA   GLY   8          2HA       GLY   8   6.484  -1.211  -3.756
   43   2HA   GLY   8          1HA       GLY   8   8.040  -1.106  -2.930
   44    H    CYS   9           H        CYS   9   5.215  -2.828  -3.012
   45    HA   CYS   9           HA       CYS   9   5.290  -3.512  -0.097
   46   1HB   CYS   9          2HB       CYS   9   3.238  -3.700  -2.305
   47   2HB   CYS   9          1HB       CYS   9   3.035  -4.582  -0.793
   48    H    ASP  10           H        ASP  10   7.394  -4.575  -1.582
   49    HA   ASP  10           HA       ASP  10   6.760  -7.210  -2.666
   50   1HB   ASP  10          2HB       ASP  10   9.309  -5.781  -1.845
   51   2HB   ASP  10          1HB       ASP  10   9.297  -7.364  -2.622
   52    H    GLY  11           H        GLY  11   5.651  -8.303  -0.933
   53   1HA   GLY  11          2HA       GLY  11   6.515 -10.174   0.618
   54   2HA   GLY  11          1HA       GLY  11   7.278  -8.855   1.510
   55    H    LYS  12           H        LYS  12   4.914 -10.827   2.046
   56    HA   LYS  12           HA       LYS  12   2.555  -9.173   2.356
   57   1HB   LYS  12          2HB       LYS  12   1.693 -11.124   3.507
   58   2HB   LYS  12          1HB       LYS  12   2.685 -11.688   2.163
   59   1HG   LYS  12          2HG       LYS  12   4.574 -11.545   4.105
   60   2HG   LYS  12          1HG       LYS  12   3.155 -11.911   5.087
   61   1HD   LYS  12          2HD       LYS  12   2.680 -13.893   3.780
   62   2HD   LYS  12          1HD       LYS  12   3.945 -13.485   2.620
   63   1HE   LYS  12          2HE       LYS  12   4.486 -14.006   5.565
   64   2HE   LYS  12          1HE       LYS  12   4.655 -15.236   4.298
   65   1HZ   LYS  12          1HZ       LYS  12   6.018 -13.406   3.111
   66   2HZ   LYS  12          2HZ       LYS  12   6.754 -14.301   4.354
   67   3HZ   LYS  12          3HZ       LYS  12   6.175 -12.733   4.662
   68    H    SER  13           H        SER  13   5.489  -9.099   4.055
   69    HA   SER  13           HA       SER  13   4.146  -8.107   6.549
   70   1HB   SER  13          2HB       SER  13   6.792  -9.459   5.978
   71   2HB   SER  13          1HB       SER  13   6.467  -8.661   7.514
   72    HG   SER  13           HG       SER  13   5.355 -10.974   6.405
   73    H    THR  14           H        THR  14   4.685  -6.517   4.068
   74    HA   THR  14           HA       THR  14   6.968  -4.769   4.716
   75    HB   THR  14           HB       THR  14   6.265  -5.437   2.401
   76    HG1  THR  14           1HG      THR  14   7.395  -3.644   2.274
   77   1HG2  THR  14          1HG2      THR  14   4.282  -4.195   1.450
   78   2HG2  THR  14          2HG2      THR  14   3.847  -3.749   3.098
   79   3HG2  THR  14          3HG2      THR  14   3.862  -5.446   2.618
   80    H    PHE  15           H        PHE  15   6.333  -2.256   4.474
   81    HA   PHE  15           HA       PHE  15   3.848  -1.648   6.008
   82   1HB   PHE  15          2HB       PHE  15   5.038  -0.612   7.764
   83   2HB   PHE  15          1HB       PHE  15   5.997  -2.049   7.427
   84    HD1  PHE  15           1HD      PHE  15   5.909   1.590   7.392
   85    HD2  PHE  15           2HD      PHE  15   8.086  -1.858   6.036
   86    HE1  PHE  15           1HE      PHE  15   7.880   3.018   6.924
   87    HE2  PHE  15           2HE      PHE  15  10.056  -0.427   5.568
   88    HZ   PHE  15           HZ       PHE  15   9.953   2.010   6.012
   89    H    CYS  16           H        CYS  16   3.095   0.511   5.691
   90    HA   CYS  16           HA       CYS  16   4.417   1.988   3.433
   91   1HB   CYS  16          2HB       CYS  16   1.525   2.025   4.372
   92   2HB   CYS  16          1HB       CYS  16   2.155   2.713   2.876
   93    H    CYS  17           H        CYS  17   2.522   4.283   4.072
   94    HA   CYS  17           HA       CYS  17   4.245   5.561   6.110
   95   1HB   CYS  17          2HB       CYS  17   3.604   6.568   3.869
   96   2HB   CYS  17          1HB       CYS  17   1.958   6.708   4.485
   97    H    SER  18           H        SER  18   0.714   5.424   5.534
   98    HA   SER  18           HA       SER  18   0.312   5.375   8.510
   99   1HB   SER  18          2HB       SER  18  -1.301   6.737   6.320
  100   2HB   SER  18          1HB       SER  18  -1.722   6.742   8.031
  101    HG   SER  18           HG       SER  18   0.190   8.170   6.658
  102    H    GLY  19           H        GLY  19  -2.698   5.227   7.260
  103   1HA   GLY  19          2HA       GLY  19  -2.988   2.390   7.694
  104   2HA   GLY  19          1HA       GLY  19  -4.238   3.467   7.075
  105    H    TYR  20           H        TYR  20  -1.936   4.184   4.984
  106    HA   TYR  20           HA       TYR  20  -2.871   3.115   2.652
  107   1HB   TYR  20          2HB       TYR  20  -0.117   3.717   3.693
  108   2HB   TYR  20          1HB       TYR  20  -0.284   3.040   2.076
  109    HD1  TYR  20           1HD      TYR  20  -1.074   5.922   4.247
  110    HD2  TYR  20           2HD      TYR  20  -1.285   4.311   0.270
  111    HE1  TYR  20           1HE      TYR  20  -1.637   8.169   3.366
  112    HE2  TYR  20           2HE      TYR  20  -1.851   6.559  -0.609
  113    HH   TYR  20           HH       TYR  20  -1.268   9.229   0.671
  114    H    ASN  21           H        ASN  21  -3.475   0.986   2.270
  115    HA   ASN  21           HA       ASN  21  -1.917  -1.252   3.437
  116   1HB   ASN  21          2HB       ASN  21  -4.603  -0.722   2.523
  117   2HB   ASN  21          1HB       ASN  21  -3.971  -2.124   1.663
  118   1HD2  ASN  21          1HD2      ASN  21  -3.740  -4.084   2.837
  119   2HD2  ASN  21          2HD2      ASN  21  -4.085  -4.230   4.493
  120    H    CYS  22           H        CYS  22  -1.789  -3.196   1.586
  121    HA   CYS  22           HA       CYS  22  -0.296  -1.942  -0.699
  122   1HB   CYS  22          2HB       CYS  22  -0.031  -4.544   0.819
  123   2HB   CYS  22          1HB       CYS  22   0.794  -4.271  -0.715
  124    H    SER  23           H        SER  23  -0.705  -2.722  -2.827
  125    HA   SER  23           HA       SER  23  -3.357  -3.957  -3.212
  126   1HB   SER  23          2HB       SER  23  -2.136  -1.999  -4.503
  127   2HB   SER  23          1HB       SER  23  -1.404  -3.320  -5.406
  128    HG   SER  23           HG       SER  23  -4.157  -2.719  -5.078
  129    HA   PRO  24           HA       PRO  24  -1.765  -8.034  -3.742
  130   1HB   PRO  24          2HB       PRO  24  -3.851  -9.123  -5.143
  131   2HB   PRO  24          1HB       PRO  24  -3.925  -8.776  -3.406
  132   1HG   PRO  24          2HG       PRO  24  -5.033  -7.232  -5.692
  133   2HG   PRO  24          1HG       PRO  24  -5.716  -7.518  -4.084
  134   1HD   PRO  24          2HD       PRO  24  -4.495  -5.188  -4.825
  135   2HD   PRO  24          1HD       PRO  24  -4.578  -5.772  -3.150
  136    H    THR  25           H        THR  25  -2.706  -6.064  -6.504
  137    HA   THR  25           HA       THR  25  -1.047  -7.817  -8.287
  138    HB   THR  25           HB       THR  25  -3.363  -7.773  -8.968
  139    HG1  THR  25           1HG      THR  25  -2.247  -7.650 -10.782
  140   1HG2  THR  25          1HG2      THR  25  -3.133  -4.911  -8.251
  141   2HG2  THR  25          2HG2      THR  25  -4.515  -5.997  -8.125
  142   3HG2  THR  25          3HG2      THR  25  -4.109  -5.263  -9.676
  143    H    TRP  26           H        TRP  26  -1.506  -4.524  -7.112
  144    HA   TRP  26           HA       TRP  26   0.303  -3.362  -9.127
  145   1HB   TRP  26          2HB       TRP  26  -0.865  -2.188  -6.586
  146   2HB   TRP  26          1HB       TRP  26  -0.176  -1.294  -7.930
  147    HD1  TRP  26           HD       TRP  26  -1.752  -3.568  -9.951
  148    HE1  TRP  26           1HE      TRP  26  -4.204  -3.022 -10.494
  149    HE3  TRP  26           3HE      TRP  26  -2.754  -0.200  -6.245
  150    HZ2  TRP  26           2HZ      TRP  26  -6.315  -1.358  -9.510
  151    HZ3  TRP  26           3HZ      TRP  26  -4.989   0.854  -6.077
  152    HH2  TRP  26           HH       TRP  26  -6.769   0.281  -7.703
  153    H    LYS  27           H        LYS  27   0.630  -4.818  -5.993
  154    HA   LYS  27           HA       LYS  27   2.492  -5.164  -4.610
  155   1HB   LYS  27          2HB       LYS  27   3.566  -4.612  -7.334
  156   2HB   LYS  27          1HB       LYS  27   4.720  -4.574  -6.002
  157   1HG   LYS  27          2HG       LYS  27   2.775  -6.859  -6.340
  158   2HG   LYS  27          1HG       LYS  27   4.339  -6.847  -7.154
  159   1HD   LYS  27          2HD       LYS  27   5.472  -7.282  -5.237
  160   2HD   LYS  27          1HD       LYS  27   4.490  -6.159  -4.296
  161   1HE   LYS  27          2HE       LYS  27   2.642  -7.851  -4.273
  162   2HE   LYS  27          1HE       LYS  27   3.725  -8.990  -5.094
  163   1HZ   LYS  27          1HZ       LYS  27   4.278  -7.632  -2.506
  164   2HZ   LYS  27          2HZ       LYS  27   5.330  -8.701  -3.305
  165   3HZ   LYS  27          3HZ       LYS  27   3.850  -9.262  -2.691
  166    H    TRP  28           H        TRP  28   1.261  -2.290  -4.904
  167    HA   TRP  28           HA       TRP  28   3.525  -0.983  -3.459
  168   1HB   TRP  28          2HB       TRP  28   3.154   1.093  -4.664
  169   2HB   TRP  28          1HB       TRP  28   3.425  -0.197  -5.823
  170    HD1  TRP  28           HD       TRP  28   0.199   1.131  -4.083
  171    HE1  TRP  28           1HE      TRP  28  -1.567   1.518  -5.921
  172    HE3  TRP  28           3HE      TRP  28   2.912  -0.166  -8.203
  173    HZ2  TRP  28           2HZ      TRP  28  -1.796   1.318  -8.762
  174    HZ3  TRP  28           3HZ      TRP  28   1.901  -0.053 -10.462
  175    HH2  TRP  28           HH       TRP  28  -0.447   0.689 -10.748
  176    H    CYS  29           H        CYS  29   2.815   0.743  -1.988
  177    HA   CYS  29           HA       CYS  29   0.504  -0.007  -0.450
  178   1HB   CYS  29          2HB       CYS  29   2.332   2.407  -0.469
  179   2HB   CYS  29          1HB       CYS  29   1.103   2.141   0.765
  180    H    VAL  30           H        VAL  30  -1.572   0.768  -0.519
  181    HA   VAL  30           HA       VAL  30  -2.186   3.086  -2.324
  182    HB   VAL  30           HB       VAL  30  -4.281   1.853  -2.855
  183   1HG1  VAL  30          1HG1      VAL  30  -2.249   1.538  -4.241
  184   2HG1  VAL  30          2HG1      VAL  30  -3.261   0.095  -4.215
  185   3HG1  VAL  30          3HG1      VAL  30  -1.794   0.162  -3.238
  186   1HG2  VAL  30          1HG2      VAL  30  -3.464  -0.745  -1.869
  187   2HG2  VAL  30          2HG2      VAL  30  -4.977   0.118  -1.592
  188   3HG2  VAL  30          3HG2      VAL  30  -3.597   0.394  -0.529
  189    H    TYR  31           H        TYR  31  -4.250   4.221  -1.655
  190    HA   TYR  31           HA       TYR  31  -4.269   4.902   1.123
  191   1HB   TYR  31          2HB       TYR  31  -5.153   6.106  -1.029
  192   2HB   TYR  31          1HB       TYR  31  -6.640   5.212  -0.716
  193    HD1  TYR  31           1HD      TYR  31  -4.111   7.034   1.392
  194    HD2  TYR  31           2HD      TYR  31  -8.253   6.459   0.405
  195    HE1  TYR  31           1HE      TYR  31  -4.752   8.697   3.114
  196    HE2  TYR  31           2HE      TYR  31  -8.893   8.123   2.129
  197    HH   TYR  31           HH       TYR  31  -7.255   8.997   4.538
  198    H    ALA  32           H        ALA  32  -5.653   4.259   2.819
  199    HA   ALA  32           HA       ALA  32  -7.154   1.707   2.356
  200   1HB   ALA  32          1HB       ALA  32  -6.737   1.317   4.714
  201   2HB   ALA  32          2HB       ALA  32  -6.186   2.978   4.936
  202   3HB   ALA  32          3HB       ALA  32  -5.224   1.849   3.981
  203    H    ARG  33           H        ARG  33  -9.234   2.443   1.772
  204    HA   ARG  33           HA       ARG  33 -10.883   3.565   3.914
  205   1HB   ARG  33          2HB       ARG  33  -9.507   5.291   2.112
  206   2HB   ARG  33          1HB       ARG  33 -11.216   5.352   1.682
  207   1HG   ARG  33          2HG       ARG  33 -10.250   5.617   4.537
  208   2HG   ARG  33          1HG       ARG  33 -10.464   7.008   3.474
  209   1HD   ARG  33          2HD       ARG  33 -12.787   5.225   3.414
  210   2HD   ARG  33          1HD       ARG  33 -12.465   5.865   5.038
  211    HE   ARG  33           HE       ARG  33 -12.543   7.686   2.663
  212   1HH1  ARG  33          1HH1      ARG  33 -15.068   6.833   4.322
  213   2HH1  ARG  33          2HH1      ARG  33 -15.251   8.240   5.317
  214   1HH2  ARG  33          1HH2      ARG  33 -12.083   9.480   4.603
  215   2HH2  ARG  33          2HH2      ARG  33 -13.555   9.742   5.475
  216    HA   PRO  34           HA       PRO  34 -13.585   1.076   1.368
  217   1HB   PRO  34          2HB       PRO  34 -15.795   1.291   2.973
  218   2HB   PRO  34          1HB       PRO  34 -14.441   0.201   3.329
  219   1HG   PRO  34          2HG       PRO  34 -15.070   2.876   4.474
  220   2HG   PRO  34          1HG       PRO  34 -14.427   1.430   5.269
  221   1HD   PRO  34          2HD       PRO  34 -12.883   3.558   4.550
  222   2HD   PRO  34          1HD       PRO  34 -12.269   1.893   4.660
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  12.253   3.502   6.723
    2   2H    GLY   1          2HT       GLY   1  11.112   4.739   6.968
    3   3H    GLY   1          3HT       GLY   1  11.710   4.427   5.410
    4   1HA   GLY   1          2HA       GLY   1  10.579   2.384   5.245
    5   2HA   GLY   1          1HA       GLY   1  10.192   2.414   6.967
    6    H    CYS   2           H        CYS   2   9.487   3.942   3.855
    7    HA   CYS   2           HA       CYS   2   6.790   4.680   4.886
    8   1HB   CYS   2          2HB       CYS   2   8.207   6.630   5.256
    9   2HB   CYS   2          1HB       CYS   2   8.817   6.544   3.604
   10    H    GLY   3           H        GLY   3   5.221   4.438   3.298
   11   1HA   GLY   3          2HA       GLY   3   6.154   3.547   0.614
   12   2HA   GLY   3          1HA       GLY   3   4.579   3.177   1.315
   13    H    GLY   4           H        GLY   4   2.906   4.392   0.580
   14   1HA   GLY   4          2HA       GLY   4   2.389   6.991   0.373
   15   2HA   GLY   4          1HA       GLY   4   3.519   6.847  -0.973
   16    H    LEU   5           H        LEU   5   2.157   7.104  -2.719
   17    HA   LEU   5           HA       LEU   5  -0.341   5.479  -2.857
   18   1HB   LEU   5          2HB       LEU   5   0.222   8.098  -3.409
   19   2HB   LEU   5          1HB       LEU   5   0.391   7.383  -5.010
   20    HG   LEU   5           HG       LEU   5  -1.937   8.209  -4.462
   21   1HD1  LEU   5          1HD1      LEU   5  -1.259   6.256  -6.066
   22   2HD1  LEU   5          2HD1      LEU   5  -2.958   6.471  -5.648
   23   3HD1  LEU   5          3HD1      LEU   5  -2.002   5.227  -4.842
   24   1HD2  LEU   5          1HD2      LEU   5  -1.468   6.697  -2.097
   25   2HD2  LEU   5          2HD2      LEU   5  -2.768   5.893  -2.973
   26   3HD2  LEU   5          3HD2      LEU   5  -2.922   7.593  -2.535
   27    H    MET   6           H        MET   6   2.901   5.516  -4.054
   28    HA   MET   6           HA       MET   6   2.307   3.190  -5.792
   29   1HB   MET   6          2HB       MET   6   2.516   5.828  -6.760
   30   2HB   MET   6          1HB       MET   6   4.056   5.068  -7.158
   31   1HG   MET   6          2HG       MET   6   3.096   3.562  -8.600
   32   2HG   MET   6          1HG       MET   6   1.597   3.468  -7.673
   33   1HE   MET   6          1HE       MET   6   1.861   3.410 -10.607
   34   2HE   MET   6          2HE       MET   6   0.888   4.656 -11.386
   35   3HE   MET   6          3HE       MET   6   0.169   3.638 -10.140
   36    H    ALA   7           H        ALA   7   3.670   3.279  -3.312
   37    HA   ALA   7           HA       ALA   7   6.583   3.340  -3.840
   38   1HB   ALA   7          1HB       ALA   7   5.682   2.283  -1.279
   39   2HB   ALA   7          2HB       ALA   7   4.856   3.789  -1.682
   40   3HB   ALA   7          3HB       ALA   7   6.616   3.741  -1.613
   41    H    GLY   8           H        GLY   8   7.404   1.249  -2.182
   42   1HA   GLY   8          2HA       GLY   8   6.523  -1.145  -3.747
   43   2HA   GLY   8          1HA       GLY   8   8.146  -0.944  -3.084
   44    H    CYS   9           H        CYS   9   4.927  -2.012  -2.418
   45    HA   CYS   9           HA       CYS   9   5.605  -2.403   0.473
   46   1HB   CYS   9          2HB       CYS   9   3.213  -2.451   0.811
   47   2HB   CYS   9          1HB       CYS   9   3.567  -1.087  -0.245
   48    H    ASP  10           H        ASP  10   6.744  -4.194  -1.497
   49    HA   ASP  10           HA       ASP  10   5.202  -6.611  -1.813
   50   1HB   ASP  10          2HB       ASP  10   7.258  -5.861  -3.095
   51   2HB   ASP  10          1HB       ASP  10   8.214  -6.278  -1.674
   52    H    GLY  11           H        GLY  11   5.736  -8.703  -0.702
   53   1HA   GLY  11          2HA       GLY  11   6.860  -9.784   1.254
   54   2HA   GLY  11          1HA       GLY  11   6.580  -8.285   2.140
   55    H    LYS  12           H        LYS  12   3.822  -8.348   0.561
   56    HA   LYS  12           HA       LYS  12   1.616  -8.978   1.090
   57   1HB   LYS  12          2HB       LYS  12   3.074 -11.473   2.036
   58   2HB   LYS  12          1HB       LYS  12   1.357 -11.369   1.657
   59   1HG   LYS  12          2HG       LYS  12   1.824 -10.900  -0.667
   60   2HG   LYS  12          1HG       LYS  12   3.552 -10.752  -0.340
   61   1HD   LYS  12          2HD       LYS  12   2.337 -13.303   0.537
   62   2HD   LYS  12          1HD       LYS  12   2.354 -13.051  -1.208
   63   1HE   LYS  12          2HE       LYS  12   4.452 -14.050  -0.851
   64   2HE   LYS  12          1HE       LYS  12   4.870 -12.328  -0.773
   65   1HZ   LYS  12          1HZ       LYS  12   4.026 -13.881   1.611
   66   2HZ   LYS  12          2HZ       LYS  12   4.758 -12.348   1.568
   67   3HZ   LYS  12          3HZ       LYS  12   5.653 -13.732   1.155
   68    H    SER  13           H        SER  13   3.579  -7.821   3.235
   69    HA   SER  13           HA       SER  13   1.682  -7.767   5.429
   70   1HB   SER  13          2HB       SER  13   2.926 -10.098   5.371
   71   2HB   SER  13          1HB       SER  13   4.254  -9.188   6.083
   72    HG   SER  13           HG       SER  13   1.684  -9.723   7.083
   73    H    THR  14           H        THR  14   3.267  -5.849   3.857
   74    HA   THR  14           HA       THR  14   5.277  -4.833   5.809
   75    HB   THR  14           HB       THR  14   5.699  -5.152   3.306
   76    HG1  THR  14           1HG      THR  14   7.125  -3.850   4.250
   77   1HG2  THR  14          1HG2      THR  14   3.770  -4.385   2.222
   78   2HG2  THR  14          2HG2      THR  14   4.880  -3.030   2.017
   79   3HG2  THR  14          3HG2      THR  14   3.632  -2.965   3.258
   80    H    PHE  15           H        PHE  15   5.270  -2.283   5.872
   81    HA   PHE  15           HA       PHE  15   2.456  -1.275   6.118
   82   1HB   PHE  15          2HB       PHE  15   3.590  -1.944   8.287
   83   2HB   PHE  15          1HB       PHE  15   4.775  -0.674   7.980
   84    HD1  PHE  15           1HD      PHE  15   4.339   1.526   8.678
   85    HD2  PHE  15           2HD      PHE  15   1.076  -1.232   8.222
   86    HE1  PHE  15           1HE      PHE  15   2.783   3.209   9.624
   87    HE2  PHE  15           2HE      PHE  15  -0.479   0.452   9.168
   88    HZ   PHE  15           HZ       PHE  15   0.375   2.672   9.869
   89    H    CYS  16           H        CYS  16   2.153   0.758   5.246
   90    HA   CYS  16           HA       CYS  16   4.334   1.972   3.701
   91   1HB   CYS  16          2HB       CYS  16   1.529   3.006   4.224
   92   2HB   CYS  16          1HB       CYS  16   2.552   3.341   2.829
   93    H    CYS  17           H        CYS  17   3.162   4.741   4.227
   94    HA   CYS  17           HA       CYS  17   4.965   5.474   6.423
   95   1HB   CYS  17          2HB       CYS  17   3.864   6.649   4.112
   96   2HB   CYS  17          1HB       CYS  17   3.175   7.553   5.458
   97    H    SER  18           H        SER  18   1.598   6.481   5.866
   98    HA   SER  18           HA       SER  18   0.625   5.473   8.425
   99   1HB   SER  18          2HB       SER  18   0.374   7.727   9.446
  100   2HB   SER  18          1HB       SER  18   2.062   7.340   9.142
  101    HG   SER  18           HG       SER  18   2.145   8.963   7.821
  102    H    GLY  19           H        GLY  19  -1.383   4.863   7.673
  103   1HA   GLY  19          2HA       GLY  19  -3.659   5.354   7.097
  104   2HA   GLY  19          1HA       GLY  19  -3.148   6.942   6.524
  105    H    TYR  20           H        TYR  20  -1.296   4.191   5.486
  106    HA   TYR  20           HA       TYR  20  -2.677   4.218   2.821
  107   1HB   TYR  20          2HB       TYR  20   0.219   4.538   3.609
  108   2HB   TYR  20          1HB       TYR  20  -0.192   3.879   2.028
  109    HD1  TYR  20           1HD      TYR  20  -0.391   6.851   4.214
  110    HD2  TYR  20           2HD      TYR  20  -1.221   5.263   0.309
  111    HE1  TYR  20           1HE      TYR  20  -0.770   9.147   3.359
  112    HE2  TYR  20           2HE      TYR  20  -1.602   7.560  -0.541
  113    HH   TYR  20           HH       TYR  20  -0.572  10.132   0.596
  114    H    ASN  21           H        ASN  21  -2.980   2.141   1.967
  115    HA   ASN  21           HA       ASN  21  -1.914  -0.147   3.578
  116   1HB   ASN  21          2HB       ASN  21  -4.451   0.465   3.115
  117   2HB   ASN  21          1HB       ASN  21  -4.143  -0.330   1.572
  118   1HD2  ASN  21          1HD2      ASN  21  -4.296  -2.593   1.565
  119   2HD2  ASN  21          2HD2      ASN  21  -4.327  -3.559   2.960
  120    H    CYS  22           H        CYS  22  -1.711  -2.220   2.085
  121    HA   CYS  22           HA       CYS  22  -0.189  -1.416  -0.372
  122   1HB   CYS  22          2HB       CYS  22   1.239  -2.397   1.278
  123   2HB   CYS  22          1HB       CYS  22   0.069  -3.666   1.637
  124    H    SER  23           H        SER  23  -0.773  -2.372  -2.327
  125    HA   SER  23           HA       SER  23  -3.256  -3.991  -2.361
  126   1HB   SER  23          2HB       SER  23  -2.950  -2.045  -3.856
  127   2HB   SER  23          1HB       SER  23  -1.518  -2.802  -4.549
  128    HG   SER  23           HG       SER  23  -4.218  -3.395  -4.888
  129    HA   PRO  24           HA       PRO  24  -0.919  -7.732  -2.828
  130   1HB   PRO  24          2HB       PRO  24  -2.974  -9.363  -3.598
  131   2HB   PRO  24          1HB       PRO  24  -2.746  -8.817  -1.925
  132   1HG   PRO  24          2HG       PRO  24  -4.626  -7.816  -4.002
  133   2HG   PRO  24          1HG       PRO  24  -4.871  -8.023  -2.261
  134   1HD   PRO  24          2HD       PRO  24  -4.367  -5.615  -3.453
  135   2HD   PRO  24          1HD       PRO  24  -3.964  -5.989  -1.762
  136    H    THR  25           H        THR  25  -2.724  -6.218  -5.418
  137    HA   THR  25           HA       THR  25  -1.466  -8.020  -7.446
  138    HB   THR  25           HB       THR  25  -3.672  -5.958  -7.742
  139    HG1  THR  25           1HG      THR  25  -3.732  -8.722  -7.127
  140   1HG2  THR  25          1HG2      THR  25  -4.197  -7.633  -9.685
  141   2HG2  THR  25          2HG2      THR  25  -2.511  -8.110  -9.490
  142   3HG2  THR  25          3HG2      THR  25  -2.913  -6.444  -9.901
  143    H    TRP  26           H        TRP  26  -1.602  -4.657  -6.357
  144    HA   TRP  26           HA       TRP  26  -0.044  -3.699  -8.684
  145   1HB   TRP  26          2HB       TRP  26  -0.907  -2.265  -6.153
  146   2HB   TRP  26          1HB       TRP  26  -0.391  -1.525  -7.661
  147    HD1  TRP  26           HD       TRP  26  -2.168  -3.831  -9.354
  148    HE1  TRP  26           1HE      TRP  26  -4.684  -3.344  -9.608
  149    HE3  TRP  26           3HE      TRP  26  -2.796  -0.433  -5.594
  150    HZ2  TRP  26           2HZ      TRP  26  -6.698  -1.728  -8.383
  151    HZ3  TRP  26           3HZ      TRP  26  -5.022   0.566  -5.163
  152    HH2  TRP  26           HH       TRP  26  -6.972  -0.077  -6.551
  153    H    LYS  27           H        LYS  27   0.483  -4.648  -5.348
  154    HA   LYS  27           HA       LYS  27   2.480  -5.045  -4.178
  155   1HB   LYS  27          2HB       LYS  27   3.079  -5.471  -6.788
  156   2HB   LYS  27          1HB       LYS  27   4.185  -4.142  -6.436
  157   1HG   LYS  27          2HG       LYS  27   4.274  -5.957  -4.232
  158   2HG   LYS  27          1HG       LYS  27   4.444  -6.898  -5.714
  159   1HD   LYS  27          2HD       LYS  27   6.007  -4.513  -5.984
  160   2HD   LYS  27          1HD       LYS  27   6.403  -5.265  -4.440
  161   1HE   LYS  27          2HE       LYS  27   7.800  -6.571  -5.710
  162   2HE   LYS  27          1HE       LYS  27   6.315  -7.456  -6.110
  163   1HZ   LYS  27          1HZ       LYS  27   5.951  -5.985  -7.973
  164   2HZ   LYS  27          2HZ       LYS  27   7.490  -6.689  -8.109
  165   3HZ   LYS  27          3HZ       LYS  27   7.333  -5.081  -7.584
  166    H    TRP  28           H        TRP  28   1.332  -2.084  -4.942
  167    HA   TRP  28           HA       TRP  28   3.619  -0.724  -3.564
  168   1HB   TRP  28          2HB       TRP  28   3.159   1.258  -4.918
  169   2HB   TRP  28          1HB       TRP  28   3.439  -0.121  -5.967
  170    HD1  TRP  28           HD       TRP  28   0.247   1.325  -4.269
  171    HE1  TRP  28           1HE      TRP  28  -1.591   1.481  -6.067
  172    HE3  TRP  28           3HE      TRP  28   2.820  -0.420  -8.313
  173    HZ2  TRP  28           2HZ      TRP  28  -1.927   0.943  -8.852
  174    HZ3  TRP  28           3HZ      TRP  28   1.719  -0.588 -10.527
  175    HH2  TRP  28           HH       TRP  28  -0.649   0.093 -10.803
  176    H    CYS  29           H        CYS  29   2.921   1.171  -2.230
  177    HA   CYS  29           HA       CYS  29   0.592   0.494  -0.631
  178   1HB   CYS  29          2HB       CYS  29   2.679   2.658  -0.667
  179   2HB   CYS  29          1HB       CYS  29   1.289   2.798   0.406
  180    H    VAL  30           H        VAL  30  -1.346   1.633  -0.436
  181    HA   VAL  30           HA       VAL  30  -1.898   3.878  -2.329
  182    HB   VAL  30           HB       VAL  30  -3.998   2.741  -2.980
  183   1HG1  VAL  30          1HG1      VAL  30  -1.787   0.715  -3.286
  184   2HG1  VAL  30          2HG1      VAL  30  -1.732   2.270  -4.118
  185   3HG1  VAL  30          3HG1      VAL  30  -3.052   1.146  -4.436
  186   1HG2  VAL  30          1HG2      VAL  30  -4.466   1.486  -0.952
  187   2HG2  VAL  30          2HG2      VAL  30  -2.990   0.543  -1.145
  188   3HG2  VAL  30          3HG2      VAL  30  -4.318   0.344  -2.287
  189    H    TYR  31           H        TYR  31  -4.440   4.498  -1.681
  190    HA   TYR  31           HA       TYR  31  -4.272   5.508   1.013
  191   1HB   TYR  31          2HB       TYR  31  -5.554   6.454  -0.966
  192   2HB   TYR  31          1HB       TYR  31  -6.743   5.174  -0.714
  193    HD1  TYR  31           1HD      TYR  31  -8.405   5.368   0.961
  194    HD2  TYR  31           2HD      TYR  31  -5.027   8.022   0.979
  195    HE1  TYR  31           1HE      TYR  31  -9.455   6.692   2.774
  196    HE2  TYR  31           2HE      TYR  31  -6.079   9.347   2.791
  197    HH   TYR  31           HH       TYR  31  -8.968   9.516   3.507
  198    H    ALA  32           H        ALA  32  -4.906   4.563   2.912
  199    HA   ALA  32           HA       ALA  32  -5.959   1.800   2.854
  200   1HB   ALA  32          1HB       ALA  32  -4.074   3.041   4.324
  201   2HB   ALA  32          2HB       ALA  32  -4.996   1.672   4.950
  202   3HB   ALA  32          3HB       ALA  32  -5.465   3.321   5.374
  203    H    ARG  33           H        ARG  33  -8.077   1.295   3.314
  204    HA   ARG  33           HA       ARG  33 -10.057   3.402   3.640
  205   1HB   ARG  33          2HB       ARG  33 -10.326   1.202   2.427
  206   2HB   ARG  33          1HB       ARG  33 -10.322   0.399   3.999
  207   1HG   ARG  33          2HG       ARG  33 -12.284   1.679   4.698
  208   2HG   ARG  33          1HG       ARG  33 -12.270   2.573   3.177
  209   1HD   ARG  33          2HD       ARG  33 -12.415  -0.439   3.140
  210   2HD   ARG  33          1HD       ARG  33 -13.883   0.528   3.380
  211    HE   ARG  33           HE       ARG  33 -12.989   1.804   1.254
  212   1HH1  ARG  33          1HH1      ARG  33 -10.854  -0.408   0.979
  213   2HH1  ARG  33          2HH1      ARG  33 -11.580  -1.397  -0.242
  214   1HH2  ARG  33          1HH2      ARG  33 -14.726   0.041   0.089
  215   2HH2  ARG  33          2HH2      ARG  33 -13.778  -1.143  -0.748
  216    HA   PRO  34           HA       PRO  34  -9.474   3.338   8.095
  217   1HB   PRO  34          2HB       PRO  34 -10.923   5.602   8.591
  218   2HB   PRO  34          1HB       PRO  34  -9.252   5.637   7.999
  219   1HG   PRO  34          2HG       PRO  34 -11.786   6.103   6.539
  220   2HG   PRO  34          1HG       PRO  34 -10.188   6.818   6.291
  221   1HD   PRO  34          2HD       PRO  34 -11.297   4.792   4.754
  222   2HD   PRO  34          1HD       PRO  34  -9.571   5.198   4.836
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  10.771   7.551   4.128
    2   2H    GLY   1          2HT       GLY   1  10.843   5.854   4.180
    3   3H    GLY   1          3HT       GLY   1  12.108   6.782   4.832
    4   1HA   GLY   1          2HA       GLY   1  10.925   6.106   6.699
    5   2HA   GLY   1          1HA       GLY   1  10.367   7.751   6.395
    6    H    CYS   2           H        CYS   2   8.506   7.689   4.566
    7    HA   CYS   2           HA       CYS   2   6.468   5.737   5.572
    8   1HB   CYS   2          2HB       CYS   2   6.507   8.577   4.660
    9   2HB   CYS   2          1HB       CYS   2   5.055   7.646   4.294
   10    H    GLY   3           H        GLY   3   4.986   4.819   3.956
   11   1HA   GLY   3          2HA       GLY   3   6.328   3.998   1.521
   12   2HA   GLY   3          1HA       GLY   3   4.665   3.605   1.962
   13    H    GLY   4           H        GLY   4   2.983   4.987   1.278
   14   1HA   GLY   4          2HA       GLY   4   2.723   7.465   0.384
   15   2HA   GLY   4          1HA       GLY   4   3.740   6.844  -0.916
   16    H    LEU   5           H        LEU   5   1.898   7.320  -2.347
   17    HA   LEU   5           HA       LEU   5  -0.492   5.582  -2.044
   18   1HB   LEU   5          2HB       LEU   5  -0.114   8.162  -2.846
   19   2HB   LEU   5          1HB       LEU   5  -0.144   7.338  -4.406
   20    HG   LEU   5           HG       LEU   5  -2.223   6.444  -2.511
   21   1HD1  LEU   5          1HD1      LEU   5  -2.718   9.088  -3.837
   22   2HD1  LEU   5          2HD1      LEU   5  -1.880   9.058  -2.286
   23   3HD1  LEU   5          3HD1      LEU   5  -3.503   8.383  -2.424
   24   1HD2  LEU   5          1HD2      LEU   5  -3.398   6.086  -4.464
   25   2HD2  LEU   5          2HD2      LEU   5  -1.767   6.090  -5.134
   26   3HD2  LEU   5          3HD2      LEU   5  -2.764   7.540  -5.236
   27    H    MET   6           H        MET   6   2.568   5.325  -3.435
   28    HA   MET   6           HA       MET   6   1.704   3.063  -5.142
   29   1HB   MET   6          2HB       MET   6   2.703   5.710  -6.045
   30   2HB   MET   6          1HB       MET   6   3.450   4.316  -6.826
   31   1HG   MET   6          2HG       MET   6   1.034   3.452  -7.156
   32   2HG   MET   6          1HG       MET   6   0.539   5.103  -6.785
   33   1HE   MET   6          1HE       MET   6   0.059   3.470  -9.679
   34   2HE   MET   6          2HE       MET   6   0.058   4.983 -10.583
   35   3HE   MET   6          3HE       MET   6  -0.665   4.924  -8.978
   36    H    ALA   7           H        ALA   7   3.310   3.484  -2.617
   37    HA   ALA   7           HA       ALA   7   6.126   3.130  -3.245
   38   1HB   ALA   7          1HB       ALA   7   4.595   3.782  -1.053
   39   2HB   ALA   7          2HB       ALA   7   6.310   3.375  -0.987
   40   3HB   ALA   7          3HB       ALA   7   5.096   2.136  -0.662
   41    H    GLY   8           H        GLY   8   7.125   1.261  -3.860
   42   1HA   GLY   8          2HA       GLY   8   5.749  -1.166  -4.386
   43   2HA   GLY   8          1HA       GLY   8   7.502  -1.016  -4.273
   44    H    CYS   9           H        CYS   9   4.996  -2.676  -2.994
   45    HA   CYS   9           HA       CYS   9   5.767  -2.632  -0.154
   46   1HB   CYS   9          2HB       CYS   9   3.839  -4.251  -1.845
   47   2HB   CYS   9          1HB       CYS   9   4.014  -4.478  -0.106
   48    H    ASP  10           H        ASP  10   5.631  -5.202  -2.638
   49    HA   ASP  10           HA       ASP  10   6.900  -7.172  -2.901
   50   1HB   ASP  10          2HB       ASP  10   8.468  -5.166  -3.316
   51   2HB   ASP  10          1HB       ASP  10   9.124  -5.501  -1.713
   52    H    GLY  11           H        GLY  11   5.641  -8.157  -1.057
   53   1HA   GLY  11          2HA       GLY  11   6.650  -9.875   0.590
   54   2HA   GLY  11          1HA       GLY  11   7.277  -8.451   1.423
   55    H    LYS  12           H        LYS  12   5.193 -10.572   2.170
   56    HA   LYS  12           HA       LYS  12   2.678  -9.081   2.386
   57   1HB   LYS  12          2HB       LYS  12   1.890 -11.097   3.415
   58   2HB   LYS  12          1HB       LYS  12   3.014 -11.604   2.157
   59   1HG   LYS  12          2HG       LYS  12   4.582 -11.187   4.473
   60   2HG   LYS  12          1HG       LYS  12   3.154 -12.075   5.004
   61   1HD   LYS  12          2HD       LYS  12   3.634 -13.916   3.682
   62   2HD   LYS  12          1HD       LYS  12   4.523 -12.961   2.494
   63   1HE   LYS  12          2HE       LYS  12   5.614 -13.196   5.291
   64   2HE   LYS  12          1HE       LYS  12   5.867 -14.519   4.136
   65   1HZ   LYS  12          1HZ       LYS  12   7.638 -12.899   3.928
   66   2HZ   LYS  12          2HZ       LYS  12   6.512 -11.650   3.685
   67   3HZ   LYS  12          3HZ       LYS  12   6.682 -12.882   2.526
   68    H    SER  13           H        SER  13   5.567  -8.672   3.971
   69    HA   SER  13           HA       SER  13   4.214  -7.856   6.524
   70   1HB   SER  13          2HB       SER  13   6.318  -9.694   6.010
   71   2HB   SER  13          1HB       SER  13   7.059  -8.290   6.774
   72    HG   SER  13           HG       SER  13   5.827  -8.585   8.533
   73    H    THR  14           H        THR  14   4.899  -6.348   3.908
   74    HA   THR  14           HA       THR  14   7.035  -4.485   4.568
   75    HB   THR  14           HB       THR  14   6.282  -5.090   2.268
   76    HG1  THR  14           1HG      THR  14   5.750  -2.352   2.681
   77   1HG2  THR  14          1HG2      THR  14   4.033  -3.360   2.011
   78   2HG2  THR  14          2HG2      THR  14   3.717  -4.445   3.364
   79   3HG2  THR  14          3HG2      THR  14   4.095  -5.106   1.774
   80    H    PHE  15           H        PHE  15   6.576  -2.088   4.833
   81    HA   PHE  15           HA       PHE  15   4.038  -1.613   6.364
   82   1HB   PHE  15          2HB       PHE  15   6.890  -1.367   7.086
   83   2HB   PHE  15          1HB       PHE  15   5.913   0.039   7.512
   84    HD1  PHE  15           1HD      PHE  15   7.050  -3.028   8.700
   85    HD2  PHE  15           2HD      PHE  15   3.467  -0.665   8.490
   86    HE1  PHE  15           1HE      PHE  15   6.122  -4.258  10.643
   87    HE2  PHE  15           2HE      PHE  15   2.541  -1.897  10.432
   88    HZ   PHE  15           HZ       PHE  15   3.868  -3.694  11.509
   89    H    CYS  16           H        CYS  16   3.166   0.491   6.192
   90    HA   CYS  16           HA       CYS  16   4.323   2.199   4.009
   91   1HB   CYS  16          2HB       CYS  16   1.910   0.898   4.131
   92   2HB   CYS  16          1HB       CYS  16   1.476   2.477   4.786
   93    H    CYS  17           H        CYS  17   2.389   4.362   4.730
   94    HA   CYS  17           HA       CYS  17   3.939   5.518   6.973
   95   1HB   CYS  17          2HB       CYS  17   3.345   6.605   4.698
   96   2HB   CYS  17          1HB       CYS  17   1.734   6.828   5.377
   97    H    SER  18           H        SER  18   0.460   5.732   6.183
   98    HA   SER  18           HA       SER  18  -0.447   4.485   8.635
   99   1HB   SER  18          2HB       SER  18  -1.258   6.685   9.640
  100   2HB   SER  18          1HB       SER  18   0.486   6.451   9.672
  101    HG   SER  18           HG       SER  18  -1.036   8.291   8.322
  102    H    GLY  19           H        GLY  19  -1.928   3.494   7.139
  103   1HA   GLY  19          2HA       GLY  19  -4.389   3.749   6.706
  104   2HA   GLY  19          1HA       GLY  19  -4.012   5.344   6.048
  105    H    TYR  20           H        TYR  20  -1.593   4.508   4.655
  106    HA   TYR  20           HA       TYR  20  -2.762   3.599   2.167
  107   1HB   TYR  20          2HB       TYR  20   0.048   4.028   3.214
  108   2HB   TYR  20          1HB       TYR  20  -0.262   3.502   1.560
  109    HD1  TYR  20           1HD      TYR  20   0.267   6.318   3.568
  110    HD2  TYR  20           2HD      TYR  20  -2.199   4.935   0.337
  111    HE1  TYR  20           1HE      TYR  20  -0.175   8.664   2.900
  112    HE2  TYR  20           2HE      TYR  20  -2.643   7.278  -0.330
  113    HH   TYR  20           HH       TYR  20  -2.353   9.784   1.461
  114    H    ASN  21           H        ASN  21  -3.161   1.495   1.595
  115    HA   ASN  21           HA       ASN  21  -1.807  -0.696   3.129
  116   1HB   ASN  21          2HB       ASN  21  -4.470  -0.263   1.828
  117   2HB   ASN  21          1HB       ASN  21  -3.848  -1.913   1.887
  118   1HD2  ASN  21          1HD2      ASN  21  -4.735  -2.959   3.672
  119   2HD2  ASN  21          2HD2      ASN  21  -4.945  -2.264   5.206
  120    H    CYS  22           H        CYS  22  -1.348  -2.706   1.755
  121    HA   CYS  22           HA       CYS  22  -0.007  -1.872  -0.748
  122   1HB   CYS  22          2HB       CYS  22  -0.073  -4.335   0.997
  123   2HB   CYS  22          1HB       CYS  22   0.719  -4.357  -0.578
  124    H    SER  23           H        SER  23  -0.798  -2.287  -2.762
  125    HA   SER  23           HA       SER  23  -3.466  -3.295  -3.194
  126   1HB   SER  23          2HB       SER  23  -2.620  -3.190  -5.625
  127   2HB   SER  23          1HB       SER  23  -2.523  -1.691  -4.706
  128    HG   SER  23           HG       SER  23  -0.392  -3.549  -4.816
  129    HA   PRO  24           HA       PRO  24  -2.536  -7.617  -3.314
  130   1HB   PRO  24          2HB       PRO  24  -4.770  -8.487  -4.631
  131   2HB   PRO  24          1HB       PRO  24  -4.783  -7.972  -2.932
  132   1HG   PRO  24          2HG       PRO  24  -5.646  -6.496  -5.364
  133   2HG   PRO  24          1HG       PRO  24  -6.355  -6.514  -3.743
  134   1HD   PRO  24          2HD       PRO  24  -4.780  -4.491  -4.700
  135   2HD   PRO  24          1HD       PRO  24  -4.959  -4.880  -2.976
  136    H    THR  25           H        THR  25  -3.032  -5.739  -6.237
  137    HA   THR  25           HA       THR  25  -1.751  -7.943  -7.822
  138    HB   THR  25           HB       THR  25  -3.690  -5.799  -8.739
  139    HG1  THR  25           1HG      THR  25  -5.077  -7.093  -7.855
  140   1HG2  THR  25          1HG2      THR  25  -2.265  -8.079 -10.078
  141   2HG2  THR  25          2HG2      THR  25  -2.525  -6.433 -10.659
  142   3HG2  THR  25          3HG2      THR  25  -3.858  -7.588 -10.656
  143    H    TRP  26           H        TRP  26  -1.847  -4.432  -7.254
  144    HA   TRP  26           HA       TRP  26   0.167  -3.855  -9.297
  145   1HB   TRP  26          2HB       TRP  26  -0.914  -2.210  -6.991
  146   2HB   TRP  26          1HB       TRP  26   0.007  -1.585  -8.349
  147    HD1  TRP  26           HD       TRP  26  -1.821  -3.941 -10.138
  148    HE1  TRP  26           1HE      TRP  26  -4.070  -3.064 -11.022
  149    HE3  TRP  26           3HE      TRP  26  -2.387   0.189  -7.191
  150    HZ2  TRP  26           2HZ      TRP  26  -5.872  -0.896 -10.558
  151    HZ3  TRP  26           3HZ      TRP  26  -4.378   1.644  -7.435
  152    HH2  TRP  26           HH       TRP  26  -6.121   1.106  -9.113
  153    H    LYS  27           H        LYS  27   0.340  -5.039  -6.074
  154    HA   LYS  27           HA       LYS  27   2.185  -5.565  -4.720
  155   1HB   LYS  27          2HB       LYS  27   3.004  -5.986  -7.179
  156   2HB   LYS  27          1HB       LYS  27   3.986  -4.549  -6.901
  157   1HG   LYS  27          2HG       LYS  27   5.365  -6.374  -6.248
  158   2HG   LYS  27          1HG       LYS  27   4.765  -5.690  -4.737
  159   1HD   LYS  27          2HD       LYS  27   4.301  -7.920  -4.349
  160   2HD   LYS  27          1HD       LYS  27   2.799  -7.447  -5.142
  161   1HE   LYS  27          2HE       LYS  27   3.628  -8.273  -7.296
  162   2HE   LYS  27          1HE       LYS  27   5.192  -8.677  -6.561
  163   1HZ   LYS  27          1HZ       LYS  27   3.832 -10.632  -6.541
  164   2HZ   LYS  27          2HZ       LYS  27   2.535  -9.794  -5.833
  165   3HZ   LYS  27          3HZ       LYS  27   3.958 -10.071  -4.946
  166    H    TRP  28           H        TRP  28   1.262  -2.468  -5.257
  167    HA   TRP  28           HA       TRP  28   3.497  -1.432  -3.556
  168   1HB   TRP  28          2HB       TRP  28   3.402   0.679  -4.790
  169   2HB   TRP  28          1HB       TRP  28   3.705  -0.656  -5.891
  170    HD1  TRP  28           HD       TRP  28   0.417   0.924  -4.527
  171    HE1  TRP  28           1HE      TRP  28  -1.115   1.396  -6.541
  172    HE3  TRP  28           3HE      TRP  28   3.424  -0.692  -8.317
  173    HZ2  TRP  28           2HZ      TRP  28  -1.079   1.119  -9.384
  174    HZ3  TRP  28           3HZ      TRP  28   2.651  -0.581 -10.668
  175    HH2  TRP  28           HH       TRP  28   0.405   0.322 -11.207
  176    H    CYS  29           H        CYS  29   2.859   0.511  -2.257
  177    HA   CYS  29           HA       CYS  29   0.419   0.020  -0.799
  178   1HB   CYS  29          2HB       CYS  29   2.833   1.286  -0.399
  179   2HB   CYS  29          1HB       CYS  29   1.721   2.647  -0.508
  180    H    VAL  30           H        VAL  30  -1.487   1.256  -0.739
  181    HA   VAL  30           HA       VAL  30  -1.840   3.493  -2.682
  182    HB   VAL  30           HB       VAL  30  -3.976   2.336  -3.423
  183   1HG1  VAL  30          1HG1      VAL  30  -1.676   2.219  -4.599
  184   2HG1  VAL  30          2HG1      VAL  30  -2.891   1.027  -5.059
  185   3HG1  VAL  30          3HG1      VAL  30  -1.587   0.578  -3.961
  186   1HG2  VAL  30          1HG2      VAL  30  -4.485   0.157  -2.776
  187   2HG2  VAL  30          2HG2      VAL  30  -3.781   0.783  -1.284
  188   3HG2  VAL  30          3HG2      VAL  30  -2.812  -0.221  -2.362
  189    H    TYR  31           H        TYR  31  -4.067   4.561  -2.243
  190    HA   TYR  31           HA       TYR  31  -4.345   5.120   0.571
  191   1HB   TYR  31          2HB       TYR  31  -4.928   6.729  -1.175
  192   2HB   TYR  31          1HB       TYR  31  -6.156   5.634  -1.814
  193    HD1  TYR  31           1HD      TYR  31  -5.173   7.360   1.371
  194    HD2  TYR  31           2HD      TYR  31  -8.367   5.813  -1.051
  195    HE1  TYR  31           1HE      TYR  31  -6.829   8.259   2.980
  196    HE2  TYR  31           2HE      TYR  31 -10.022   6.716   0.559
  197    HH   TYR  31           HH       TYR  31  -9.797   7.310   3.286
  198    H    ALA  32           H        ALA  32  -5.595   4.106   2.103
  199    HA   ALA  32           HA       ALA  32  -7.451   1.933   1.179
  200   1HB   ALA  32          1HB       ALA  32  -5.246   1.626   2.631
  201   2HB   ALA  32          2HB       ALA  32  -6.693   0.689   2.999
  202   3HB   ALA  32          3HB       ALA  32  -6.308   2.124   3.947
  203    H    ARG  33           H        ARG  33  -9.286   1.548   2.793
  204    HA   ARG  33           HA       ARG  33 -11.187   2.329   3.947
  205   1HB   ARG  33          2HB       ARG  33  -9.048   3.049   5.362
  206   2HB   ARG  33          1HB       ARG  33  -9.583   4.669   4.914
  207   1HG   ARG  33          2HG       ARG  33 -11.936   3.400   5.679
  208   2HG   ARG  33          1HG       ARG  33 -10.747   2.796   6.833
  209   1HD   ARG  33          2HD       ARG  33 -10.164   5.530   6.628
  210   2HD   ARG  33          1HD       ARG  33 -11.937   5.452   6.658
  211    HE   ARG  33           HE       ARG  33 -10.827   3.641   8.609
  212   1HH1  ARG  33          1HH2      ARG  33  -9.239   5.979   9.366
  213   2HH1  ARG  33          2HH2      ARG  33 -10.304   6.875  10.396
  214   1HH2  ARG  33          1HH1      ARG  33 -13.164   5.220   9.323
  215   2HH2  ARG  33          2HH1      ARG  33 -12.531   6.444  10.372
  216    HA   PRO  34           HA       PRO  34 -11.893   5.456   0.615
  217   1HB   PRO  34          2HB       PRO  34 -14.248   4.347  -0.244
  218   2HB   PRO  34          1HB       PRO  34 -12.658   3.834  -0.844
  219   1HG   PRO  34          2HG       PRO  34 -14.399   2.568   1.217
  220   2HG   PRO  34          1HG       PRO  34 -13.429   1.813  -0.057
  221   1HD   PRO  34          2HD       PRO  34 -12.629   1.910   2.532
  222   2HD   PRO  34          1HD       PRO  34 -11.487   1.922   1.169
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1   9.872   6.047   7.588
    2   2H    GLY   1          2HT       GLY   1  11.194   5.056   7.991
    3   3H    GLY   1          3HT       GLY   1   9.609   4.548   8.336
    4   1HA   GLY   1          2HA       GLY   1  10.801   4.905   5.640
    5   2HA   GLY   1          1HA       GLY   1  10.398   3.371   6.411
    6    H    CYS   2           H        CYS   2   8.950   6.409   5.247
    7    HA   CYS   2           HA       CYS   2   6.247   5.181   5.246
    8   1HB   CYS   2          2HB       CYS   2   6.303   7.404   6.055
    9   2HB   CYS   2          1HB       CYS   2   7.435   7.922   4.806
   10    H    GLY   3           H        GLY   3   5.340   4.338   3.389
   11   1HA   GLY   3          2HA       GLY   3   6.893   4.453   0.882
   12   2HA   GLY   3          1HA       GLY   3   5.465   3.456   1.173
   13    H    GLY   4           H        GLY   4   3.352   4.679   1.347
   14   1HA   GLY   4          2HA       GLY   4   2.308   6.964   0.905
   15   2HA   GLY   4          1HA       GLY   4   3.375   7.041  -0.496
   16    H    LEU   5           H        LEU   5   1.443   7.246  -1.846
   17    HA   LEU   5           HA       LEU   5  -0.420   4.953  -1.970
   18   1HB   LEU   5          2HB       LEU   5  -0.466   7.716  -2.535
   19   2HB   LEU   5          1HB       LEU   5  -0.643   6.915  -4.098
   20    HG   LEU   5           HG       LEU   5  -2.257   5.998  -1.725
   21   1HD1  LEU   5          1HD1      LEU   5  -2.596   8.475  -3.356
   22   2HD1  LEU   5          2HD1      LEU   5  -3.029   8.169  -1.675
   23   3HD1  LEU   5          3HD1      LEU   5  -4.044   7.545  -2.975
   24   1HD2  LEU   5          1HD2      LEU   5  -3.843   5.428  -3.620
   25   2HD2  LEU   5          2HD2      LEU   5  -2.315   4.548  -3.646
   26   3HD2  LEU   5          3HD2      LEU   5  -2.566   5.909  -4.738
   27    H    MET   6           H        MET   6   2.638   5.605  -3.272
   28    HA   MET   6           HA       MET   6   2.214   3.570  -5.407
   29   1HB   MET   6          2HB       MET   6   2.347   6.357  -5.833
   30   2HB   MET   6          1HB       MET   6   3.924   5.734  -6.319
   31   1HG   MET   6          2HG       MET   6   2.886   4.121  -7.811
   32   2HG   MET   6          1HG       MET   6   1.279   4.577  -7.245
   33   1HE   MET   6          1HE       MET   6   0.245   5.367  -9.714
   34   2HE   MET   6          2HE       MET   6   1.630   4.302  -9.943
   35   3HE   MET   6          3HE       MET   6   1.487   5.767 -10.910
   36    H    ALA   7           H        ALA   7   3.527   3.311  -2.870
   37    HA   ALA   7           HA       ALA   7   6.434   3.568  -3.257
   38   1HB   ALA   7          1HB       ALA   7   5.074   1.951  -1.121
   39   2HB   ALA   7          2HB       ALA   7   4.903   3.705  -1.113
   40   3HB   ALA   7          3HB       ALA   7   6.504   2.974  -0.994
   41    H    GLY   8           H        GLY   8   7.209   1.123  -2.042
   42   1HA   GLY   8          2HA       GLY   8   6.512  -0.857  -4.179
   43   2HA   GLY   8          1HA       GLY   8   8.143  -0.704  -3.520
   44    H    CYS   9           H        CYS   9   5.015  -2.105  -3.049
   45    HA   CYS   9           HA       CYS   9   5.329  -2.796  -0.244
   46   1HB   CYS   9          2HB       CYS   9   3.140  -2.605  -1.284
   47   2HB   CYS   9          1HB       CYS   9   3.559  -3.831  -2.482
   48    H    ASP  10           H        ASP  10   4.960  -5.162  -2.890
   49    HA   ASP  10           HA       ASP  10   6.001  -7.255  -3.221
   50   1HB   ASP  10          2HB       ASP  10   7.786  -5.344  -3.547
   51   2HB   ASP  10          1HB       ASP  10   8.473  -5.985  -2.055
   52    H    GLY  11           H        GLY  11   4.544  -7.589  -1.050
   53   1HA   GLY  11          2HA       GLY  11   5.668  -9.567   0.519
   54   2HA   GLY  11          1HA       GLY  11   6.062  -8.079   1.384
   55    H    LYS  12           H        LYS  12   4.115 -10.368   1.944
   56    HA   LYS  12           HA       LYS  12   1.437  -9.259   1.779
   57   1HB   LYS  12          2HB       LYS  12   0.873 -11.215   3.096
   58   2HB   LYS  12          1HB       LYS  12   2.105 -11.681   1.926
   59   1HG   LYS  12          2HG       LYS  12   3.516 -10.769   4.196
   60   2HG   LYS  12          1HG       LYS  12   2.217 -11.788   4.816
   61   1HD   LYS  12          2HD       LYS  12   3.081 -13.686   3.888
   62   2HD   LYS  12          1HD       LYS  12   3.633 -12.847   2.438
   63   1HE   LYS  12          2HE       LYS  12   5.124 -11.901   4.735
   64   2HE   LYS  12          1HE       LYS  12   5.232 -13.669   4.618
   65   1HZ   LYS  12          1HZ       LYS  12   5.818 -13.481   2.305
   66   2HZ   LYS  12          2HZ       LYS  12   6.890 -12.529   3.217
   67   3HZ   LYS  12          3HZ       LYS  12   5.631 -11.795   2.342
   68    H    SER  13           H        SER  13   4.092  -8.526   3.816
   69    HA   SER  13           HA       SER  13   2.294  -7.029   5.663
   70   1HB   SER  13          2HB       SER  13   3.103  -9.382   6.456
   71   2HB   SER  13          1HB       SER  13   4.670  -8.605   6.657
   72    HG   SER  13           HG       SER  13   3.917  -7.541   8.323
   73    H    THR  14           H        THR  14   3.669  -5.850   3.568
   74    HA   THR  14           HA       THR  14   6.345  -4.966   4.208
   75    HB   THR  14           HB       THR  14   5.009  -5.017   1.977
   76    HG1  THR  14           1HG      THR  14   6.769  -4.024   1.485
   77   1HG2  THR  14          1HG2      THR  14   4.181  -2.277   2.982
   78   2HG2  THR  14          2HG2      THR  14   3.099  -3.667   2.898
   79   3HG2  THR  14          3HG2      THR  14   3.787  -2.993   1.420
   80    H    PHE  15           H        PHE  15   6.702  -2.433   4.385
   81    HA   PHE  15           HA       PHE  15   4.922  -1.423   6.583
   82   1HB   PHE  15          2HB       PHE  15   7.574  -2.026   6.665
   83   2HB   PHE  15          1HB       PHE  15   7.660  -0.330   6.189
   84    HD1  PHE  15           1HD      PHE  15   5.943   1.249   7.541
   85    HD2  PHE  15           2HD      PHE  15   7.516  -2.496   8.943
   86    HE1  PHE  15           1HE      PHE  15   5.473   1.927   9.878
   87    HE2  PHE  15           2HE      PHE  15   7.046  -1.816  11.281
   88    HZ   PHE  15           HZ       PHE  15   6.024   0.395  11.749
   89    H    CYS  16           H        CYS  16   3.502  -0.043   5.517
   90    HA   CYS  16           HA       CYS  16   4.442   1.732   3.345
   91   1HB   CYS  16          2HB       CYS  16   1.769   1.409   4.764
   92   2HB   CYS  16          1HB       CYS  16   2.029   2.325   3.281
   93    H    CYS  17           H        CYS  17   2.578   3.919   4.208
   94    HA   CYS  17           HA       CYS  17   4.484   5.415   5.842
   95   1HB   CYS  17          2HB       CYS  17   2.788   6.067   3.877
   96   2HB   CYS  17          1HB       CYS  17   1.724   6.389   5.245
   97    H    SER  18           H        SER  18   1.026   4.596   6.277
   98    HA   SER  18           HA       SER  18   1.452   4.050   9.140
   99   1HB   SER  18          2HB       SER  18  -0.321   5.872   9.662
  100   2HB   SER  18          1HB       SER  18   1.314   6.413   9.297
  101    HG   SER  18           HG       SER  18  -0.217   7.588   8.100
  102    H    GLY  19           H        GLY  19  -1.521   5.214   7.587
  103   1HA   GLY  19          2HA       GLY  19  -2.856   2.677   8.270
  104   2HA   GLY  19          1HA       GLY  19  -3.644   4.129   7.652
  105    H    TYR  20           H        TYR  20  -1.608   4.334   5.440
  106    HA   TYR  20           HA       TYR  20  -2.965   3.196   3.282
  107   1HB   TYR  20          2HB       TYR  20  -0.156   4.042   3.874
  108   2HB   TYR  20          1HB       TYR  20  -0.446   3.183   2.363
  109    HD1  TYR  20           1HD      TYR  20  -0.478   4.728   0.621
  110    HD2  TYR  20           2HD      TYR  20  -2.526   5.664   4.278
  111    HE1  TYR  20           1HE      TYR  20  -1.351   6.809  -0.399
  112    HE2  TYR  20           2HE      TYR  20  -3.404   7.742   3.254
  113    HH   TYR  20           HH       TYR  20  -2.263   9.256   0.904
  114    H    ASN  21           H        ASN  21  -3.339   1.082   2.719
  115    HA   ASN  21           HA       ASN  21  -1.781  -1.097   3.986
  116   1HB   ASN  21          2HB       ASN  21  -4.417  -0.720   3.346
  117   2HB   ASN  21          1HB       ASN  21  -3.873  -1.664   1.961
  118   1HD2  ASN  21          1HD2      ASN  21  -3.733  -3.910   2.274
  119   2HD2  ASN  21          2HD2      ASN  21  -3.763  -4.673   3.790
  120    H    CYS  22           H        CYS  22  -1.695  -3.039   2.073
  121    HA   CYS  22           HA       CYS  22   0.016  -1.843  -0.077
  122   1HB   CYS  22          2HB       CYS  22   1.428  -3.149   1.239
  123   2HB   CYS  22          1HB       CYS  22   0.155  -4.299   1.640
  124    H    SER  23           H        SER  23  -0.231  -2.672  -2.207
  125    HA   SER  23           HA       SER  23  -2.754  -4.224  -2.675
  126   1HB   SER  23          2HB       SER  23  -1.423  -1.884  -3.889
  127   2HB   SER  23          1HB       SER  23  -2.060  -3.039  -5.051
  128    HG   SER  23           HG       SER  23  -4.070  -2.874  -4.029
  129    HA   PRO  24           HA       PRO  24   0.000  -7.368  -4.198
  130   1HB   PRO  24          2HB       PRO  24  -1.909  -9.082  -5.140
  131   2HB   PRO  24          1HB       PRO  24  -1.532  -8.904  -3.416
  132   1HG   PRO  24          2HG       PRO  24  -3.808  -7.822  -4.976
  133   2HG   PRO  24          1HG       PRO  24  -3.747  -8.370  -3.296
  134   1HD   PRO  24          2HD       PRO  24  -3.731  -5.727  -4.100
  135   2HD   PRO  24          1HD       PRO  24  -3.160  -6.318  -2.524
  136    H    THR  25           H        THR  25  -2.763  -6.445  -6.273
  137    HA   THR  25           HA       THR  25  -1.448  -7.199  -8.759
  138    HB   THR  25           HB       THR  25  -3.876  -5.513  -8.058
  139    HG1  THR  25           1HG      THR  25  -3.662  -8.152  -9.073
  140   1HG2  THR  25          1HG2      THR  25  -3.429  -4.810 -10.238
  141   2HG2  THR  25          2HG2      THR  25  -4.466  -6.208 -10.518
  142   3HG2  THR  25          3HG2      THR  25  -2.717  -6.357 -10.698
  143    H    TRP  26           H        TRP  26  -1.441  -4.334  -6.757
  144    HA   TRP  26           HA       TRP  26  -0.334  -2.663  -8.966
  145   1HB   TRP  26          2HB       TRP  26  -1.124  -1.917  -6.132
  146   2HB   TRP  26          1HB       TRP  26  -0.878  -0.820  -7.487
  147    HD1  TRP  26           HD       TRP  26  -3.342  -3.406  -6.126
  148    HE1  TRP  26           1HE      TRP  26  -5.579  -3.169  -7.372
  149    HE3  TRP  26           3HE      TRP  26  -2.007  -0.026  -9.715
  150    HZ2  TRP  26           2HZ      TRP  26  -6.671  -1.733  -9.585
  151    HZ3  TRP  26           3HZ      TRP  26  -3.668   0.760 -11.376
  152    HH2  TRP  26           HH       TRP  26  -5.996  -0.089 -11.317
  153    H    LYS  27           H        LYS  27   0.670  -4.467  -6.193
  154    HA   LYS  27           HA       LYS  27   2.754  -4.786  -5.178
  155   1HB   LYS  27          2HB       LYS  27   3.243  -3.862  -7.948
  156   2HB   LYS  27          1HB       LYS  27   4.628  -3.759  -6.863
  157   1HG   LYS  27          2HG       LYS  27   2.946  -6.261  -7.034
  158   2HG   LYS  27          1HG       LYS  27   4.294  -5.980  -8.135
  159   1HD   LYS  27          2HD       LYS  27   5.886  -6.059  -6.419
  160   2HD   LYS  27          1HD       LYS  27   4.701  -5.678  -5.170
  161   1HE   LYS  27          2HE       LYS  27   4.366  -8.227  -6.728
  162   2HE   LYS  27          1HE       LYS  27   5.571  -8.166  -5.428
  163   1HZ   LYS  27          1HZ       LYS  27   2.698  -7.430  -5.203
  164   2HZ   LYS  27          2HZ       LYS  27   3.847  -7.229  -3.966
  165   3HZ   LYS  27          3HZ       LYS  27   3.443  -8.787  -4.510
  166    H    TRP  28           H        TRP  28   1.301  -2.039  -4.819
  167    HA   TRP  28           HA       TRP  28   3.621  -0.788  -3.453
  168   1HB   TRP  28          2HB       TRP  28   3.180   1.395  -4.436
  169   2HB   TRP  28          1HB       TRP  28   3.461   0.224  -5.713
  170    HD1  TRP  28           HD       TRP  28   0.236   1.292  -3.809
  171    HE1  TRP  28           1HE      TRP  28  -1.565   1.823  -5.569
  172    HE3  TRP  28           3HE      TRP  28   2.904   0.454  -8.080
  173    HZ2  TRP  28           2HZ      TRP  28  -1.840   1.893  -8.413
  174    HZ3  TRP  28           3HZ      TRP  28   1.849   0.763 -10.301
  175    HH2  TRP  28           HH       TRP  28  -0.517   1.481 -10.472
  176    H    CYS  29           H        CYS  29   2.929   0.848  -1.831
  177    HA   CYS  29           HA       CYS  29   0.658  -0.076  -0.309
  178   1HB   CYS  29          2HB       CYS  29   2.481   2.338  -0.146
  179   2HB   CYS  29          1HB       CYS  29   1.257   1.983   1.071
  180    H    VAL  30           H        VAL  30  -1.409   0.746  -0.196
  181    HA   VAL  30           HA       VAL  30  -2.079   3.100  -1.935
  182    HB   VAL  30           HB       VAL  30  -4.206   1.886  -2.388
  183   1HG1  VAL  30          1HG1      VAL  30  -1.875   1.479  -3.603
  184   2HG1  VAL  30          2HG1      VAL  30  -3.294   0.520  -4.018
  185   3HG1  VAL  30          3HG1      VAL  30  -2.072  -0.140  -2.932
  186   1HG2  VAL  30          1HG2      VAL  30  -4.856   0.094  -1.170
  187   2HG2  VAL  30          2HG2      VAL  30  -3.506   0.440  -0.091
  188   3HG2  VAL  30          3HG2      VAL  30  -3.306  -0.711  -1.411
  189    H    TYR  31           H        TYR  31  -4.266   4.079  -1.207
  190    HA   TYR  31           HA       TYR  31  -4.129   4.929   1.521
  191   1HB   TYR  31          2HB       TYR  31  -6.388   5.884   0.994
  192   2HB   TYR  31          1HB       TYR  31  -5.199   6.218  -0.263
  193    HD1  TYR  31           1HD      TYR  31  -7.710   3.566   0.649
  194    HD2  TYR  31           2HD      TYR  31  -5.819   5.820  -2.478
  195    HE1  TYR  31           1HE      TYR  31  -9.168   2.467  -1.019
  196    HE2  TYR  31           2HE      TYR  31  -7.279   4.716  -4.151
  197    HH   TYR  31           HH       TYR  31  -9.828   3.519  -3.862
  198    H    ALA  32           H        ALA  32  -6.138   4.625   3.052
  199    HA   ALA  32           HA       ALA  32  -7.112   1.794   2.941
  200   1HB   ALA  32          1HB       ALA  32  -6.467   2.917   5.602
  201   2HB   ALA  32          2HB       ALA  32  -5.078   2.686   4.542
  202   3HB   ALA  32          3HB       ALA  32  -6.116   1.319   4.945
  203    H    ARG  33           H        ARG  33  -8.686   3.918   2.113
  204    HA   ARG  33           HA       ARG  33 -10.723   5.048   2.494
  205   1HB   ARG  33          2HB       ARG  33 -11.067   2.480   2.783
  206   2HB   ARG  33          1HB       ARG  33 -11.228   2.850   4.499
  207   1HG   ARG  33          2HG       ARG  33 -12.954   4.616   3.797
  208   2HG   ARG  33          1HG       ARG  33 -12.942   3.839   2.213
  209   1HD   ARG  33          2HD       ARG  33 -13.250   1.647   3.785
  210   2HD   ARG  33          1HD       ARG  33 -14.077   2.860   4.781
  211    HE   ARG  33           HE       ARG  33 -14.722   2.734   1.874
  212   1HH1  ARG  33          1HH2      ARG  33 -15.892   0.520   3.665
  213   2HH1  ARG  33          2HH2      ARG  33 -17.448   1.191   4.028
  214   1HH2  ARG  33          1HH1      ARG  33 -16.601   4.397   2.992
  215   2HH2  ARG  33          2HH1      ARG  33 -17.848   3.390   3.646
  216    HA   PRO  34           HA       PRO  34  -9.268   6.965   6.443
  217   1HB   PRO  34          2HB       PRO  34  -9.226   9.529   5.486
  218   2HB   PRO  34          1HB       PRO  34  -7.857   8.413   5.326
  219   1HG   PRO  34          2HG       PRO  34  -9.902   9.198   3.318
  220   2HG   PRO  34          1HG       PRO  34  -8.172   8.881   3.106
  221   1HD   PRO  34          2HD       PRO  34 -10.141   7.098   2.447
  222   2HD   PRO  34          1HD       PRO  34  -8.481   6.631   2.877
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  11.715   5.604   7.506
    2   2H    GLY   1          2HT       GLY   1  10.598   4.344   7.278
    3   3H    GLY   1          3HT       GLY   1  10.095   5.817   7.961
    4   1HA   GLY   1          2HA       GLY   1  10.862   6.876   5.783
    5   2HA   GLY   1          1HA       GLY   1  10.820   5.227   5.159
    6    H    CYS   2           H        CYS   2   9.071   6.113   3.738
    7    HA   CYS   2           HA       CYS   2   6.424   5.653   4.978
    8   1HB   CYS   2          2HB       CYS   2   6.801   7.999   5.425
    9   2HB   CYS   2          1HB       CYS   2   7.339   8.280   3.771
   10    H    GLY   3           H        GLY   3   4.998   4.793   3.471
   11   1HA   GLY   3          2HA       GLY   3   6.030   4.293   0.754
   12   2HA   GLY   3          1HA       GLY   3   4.576   3.587   1.457
   13    H    GLY   4           H        GLY   4   2.753   4.289   0.460
   14   1HA   GLY   4          2HA       GLY   4   1.752   6.844   0.301
   15   2HA   GLY   4          1HA       GLY   4   2.759   6.738  -1.142
   16    H    LEU   5           H        LEU   5   0.809   6.916  -2.446
   17    HA   LEU   5           HA       LEU   5  -1.172   4.725  -2.281
   18   1HB   LEU   5          2HB       LEU   5  -1.008   7.438  -3.237
   19   2HB   LEU   5          1HB       LEU   5  -1.577   6.394  -4.542
   20    HG   LEU   5           HG       LEU   5  -2.739   6.060  -1.796
   21   1HD1  LEU   5          1HD1      LEU   5  -4.204   7.856  -1.991
   22   2HD1  LEU   5          2HD1      LEU   5  -4.001   7.965  -3.740
   23   3HD1  LEU   5          3HD1      LEU   5  -2.729   8.549  -2.666
   24   1HD2  LEU   5          1HD2      LEU   5  -4.665   5.297  -3.073
   25   2HD2  LEU   5          2HD2      LEU   5  -3.224   4.488  -3.690
   26   3HD2  LEU   5          3HD2      LEU   5  -3.926   5.840  -4.580
   27    H    MET   6           H        MET   6   1.814   5.216  -3.833
   28    HA   MET   6           HA       MET   6   1.293   2.924  -5.651
   29   1HB   MET   6          2HB       MET   6   0.992   5.389  -6.634
   30   2HB   MET   6          1HB       MET   6   2.750   5.308  -6.734
   31   1HG   MET   6          2HG       MET   6   1.614   2.835  -7.690
   32   2HG   MET   6          1HG       MET   6   0.878   4.194  -8.539
   33   1HE   MET   6          1HE       MET   6   2.950   3.414 -11.241
   34   2HE   MET   6          2HE       MET   6   1.730   2.681 -10.202
   35   3HE   MET   6          3HE       MET   6   3.368   2.034 -10.217
   36    H    ALA   7           H        ALA   7   2.869   3.373  -3.151
   37    HA   ALA   7           HA       ALA   7   5.695   3.392  -4.018
   38   1HB   ALA   7          1HB       ALA   7   4.364   2.980  -1.320
   39   2HB   ALA   7          2HB       ALA   7   4.897   4.532  -1.966
   40   3HB   ALA   7          3HB       ALA   7   6.081   3.283  -1.582
   41    H    GLY   8           H        GLY   8   6.644   1.529  -4.698
   42   1HA   GLY   8          2HA       GLY   8   5.470  -1.052  -4.602
   43   2HA   GLY   8          1HA       GLY   8   7.182  -0.746  -4.893
   44    H    CYS   9           H        CYS   9   4.981  -2.095  -2.721
   45    HA   CYS   9           HA       CYS   9   6.579  -1.682  -0.286
   46   1HB   CYS   9          2HB       CYS   9   4.764  -2.774   0.768
   47   2HB   CYS   9          1HB       CYS   9   4.015  -1.909  -0.567
   48    H    ASP  10           H        ASP  10   6.032  -4.270  -2.651
   49    HA   ASP  10           HA       ASP  10   7.133  -6.317  -3.011
   50   1HB   ASP  10          2HB       ASP  10   8.934  -4.474  -3.109
   51   2HB   ASP  10          1HB       ASP  10   9.403  -5.014  -1.497
   52    H    GLY  11           H        GLY  11   5.509  -7.075  -1.219
   53   1HA   GLY  11          2HA       GLY  11   6.077  -9.118   0.265
   54   2HA   GLY  11          1HA       GLY  11   6.975  -7.944   1.229
   55    H    LYS  12           H        LYS  12   4.324  -9.618   1.526
   56    HA   LYS  12           HA       LYS  12   2.231  -7.651   1.939
   57   1HB   LYS  12          2HB       LYS  12   1.035  -9.546   2.866
   58   2HB   LYS  12          1HB       LYS  12   1.969 -10.119   1.486
   59   1HG   LYS  12          2HG       LYS  12   3.793 -10.476   3.468
   60   2HG   LYS  12          1HG       LYS  12   2.299 -10.717   4.374
   61   1HD   LYS  12          2HD       LYS  12   2.852 -12.874   3.554
   62   2HD   LYS  12          1HD       LYS  12   1.594 -12.292   2.463
   63   1HE   LYS  12          2HE       LYS  12   3.273 -13.146   1.003
   64   2HE   LYS  12          1HE       LYS  12   3.576 -11.398   1.013
   65   1HZ   LYS  12          1HZ       LYS  12   4.852 -13.281   2.923
   66   2HZ   LYS  12          2HZ       LYS  12   5.248 -11.649   2.655
   67   3HZ   LYS  12          3HZ       LYS  12   5.579 -12.814   1.463
   68    H    SER  13           H        SER  13   5.063  -8.288   3.703
   69    HA   SER  13           HA       SER  13   3.840  -7.432   6.299
   70   1HB   SER  13          2HB       SER  13   6.505  -8.697   5.572
   71   2HB   SER  13          1HB       SER  13   6.007  -8.289   7.213
   72    HG   SER  13           HG       SER  13   5.205 -10.348   5.549
   73    H    THR  14           H        THR  14   4.459  -5.638   3.958
   74    HA   THR  14           HA       THR  14   6.836  -4.088   4.649
   75    HB   THR  14           HB       THR  14   5.845  -4.377   2.362
   76    HG1  THR  14           1HG      THR  14   5.729  -1.655   3.097
   77   1HG2  THR  14          1HG2      THR  14   3.460  -3.741   3.669
   78   2HG2  THR  14          2HG2      THR  14   3.685  -3.903   1.927
   79   3HG2  THR  14          3HG2      THR  14   3.809  -2.318   2.689
   80    H    PHE  15           H        PHE  15   6.691  -1.761   5.277
   81    HA   PHE  15           HA       PHE  15   4.294  -1.163   6.986
   82   1HB   PHE  15          2HB       PHE  15   6.874  -1.754   7.794
   83   2HB   PHE  15          1HB       PHE  15   6.877   0.008   7.777
   84    HD1  PHE  15           1HD      PHE  15   6.147   1.111   9.691
   85    HD2  PHE  15           2HD      PHE  15   4.645  -2.825   8.842
   86    HE1  PHE  15           1HE      PHE  15   4.880   1.133  11.823
   87    HE2  PHE  15           2HE      PHE  15   3.378  -2.800  10.972
   88    HZ   PHE  15           HZ       PHE  15   3.496  -0.823  12.463
   89    H    CYS  16           H        CYS  16   3.298   0.304   5.557
   90    HA   CYS  16           HA       CYS  16   4.832   2.366   4.148
   91   1HB   CYS  16          2HB       CYS  16   1.894   1.718   4.522
   92   2HB   CYS  16          1HB       CYS  16   2.456   3.053   3.513
   93    H    CYS  17           H        CYS  17   2.987   4.564   4.497
   94    HA   CYS  17           HA       CYS  17   4.124   5.827   6.835
   95   1HB   CYS  17          2HB       CYS  17   2.657   6.499   4.481
   96   2HB   CYS  17          1HB       CYS  17   1.779   7.170   5.854
   97    H    SER  18           H        SER  18   0.640   5.733   6.198
   98    HA   SER  18           HA       SER  18  -0.010   4.243   8.624
   99   1HB   SER  18          2HB       SER  18  -1.111   6.294   9.673
  100   2HB   SER  18          1HB       SER  18   0.647   6.299   9.683
  101    HG   SER  18           HG       SER  18   0.595   8.007   8.467
  102    H    GLY  19           H        GLY  19  -1.729   3.121   7.826
  103   1HA   GLY  19          2HA       GLY  19  -3.984   2.864   7.111
  104   2HA   GLY  19          1HA       GLY  19  -4.034   4.584   6.727
  105    H    TYR  20           H        TYR  20  -1.458   2.458   5.576
  106    HA   TYR  20           HA       TYR  20  -2.622   2.602   2.812
  107   1HB   TYR  20          2HB       TYR  20   0.103   3.299   3.902
  108   2HB   TYR  20          1HB       TYR  20  -0.073   2.807   2.219
  109    HD1  TYR  20           1HD      TYR  20  -0.955   5.371   4.728
  110    HD2  TYR  20           2HD      TYR  20  -1.258   4.188   0.612
  111    HE1  TYR  20           1HE      TYR  20  -1.742   7.647   4.132
  112    HE2  TYR  20           2HE      TYR  20  -2.043   6.461   0.015
  113    HH   TYR  20           HH       TYR  20  -3.327   8.419   1.535
  114    H    ASN  21           H        ASN  21  -2.968   0.511   2.144
  115    HA   ASN  21           HA       ASN  21  -1.193  -1.654   3.211
  116   1HB   ASN  21          2HB       ASN  21  -3.769  -1.553   3.524
  117   2HB   ASN  21          1HB       ASN  21  -3.850  -1.994   1.817
  118   1HD2  ASN  21          1HD2      ASN  21  -3.433  -4.185   1.260
  119   2HD2  ASN  21          2HD2      ASN  21  -2.998  -5.373   2.392
  120    H    CYS  22           H        CYS  22  -0.482  -3.318   1.680
  121    HA   CYS  22           HA       CYS  22   0.086  -2.202  -1.001
  122   1HB   CYS  22          2HB       CYS  22   1.678  -3.427   0.662
  123   2HB   CYS  22          1HB       CYS  22   0.916  -4.900   0.060
  124    H    SER  23           H        SER  23  -0.907  -2.893  -2.863
  125    HA   SER  23           HA       SER  23  -3.214  -4.691  -2.679
  126   1HB   SER  23          2HB       SER  23  -2.951  -2.566  -4.078
  127   2HB   SER  23          1HB       SER  23  -1.902  -3.505  -5.136
  128    HG   SER  23           HG       SER  23  -4.650  -3.644  -4.729
  129    HA   PRO  24           HA       PRO  24  -0.974  -8.344  -3.787
  130   1HB   PRO  24          2HB       PRO  24  -3.097  -9.894  -4.552
  131   2HB   PRO  24          1HB       PRO  24  -2.721  -9.535  -2.855
  132   1HG   PRO  24          2HG       PRO  24  -4.775  -8.329  -4.633
  133   2HG   PRO  24          1HG       PRO  24  -4.858  -8.714  -2.908
  134   1HD   PRO  24          2HD       PRO  24  -4.452  -6.194  -3.894
  135   2HD   PRO  24          1HD       PRO  24  -3.910  -6.734  -2.289
  136    H    THR  25           H        THR  25  -2.988  -6.567  -6.030
  137    HA   THR  25           HA       THR  25  -1.892  -8.111  -8.344
  138    HB   THR  25           HB       THR  25  -4.080  -6.017  -8.313
  139    HG1  THR  25           1HG      THR  25  -5.387  -7.467  -7.555
  140   1HG2  THR  25          1HG2      THR  25  -4.750  -7.020 -10.394
  141   2HG2  THR  25          2HG2      THR  25  -3.614  -8.353 -10.181
  142   3HG2  THR  25          3HG2      THR  25  -3.014  -6.724 -10.496
  143    H    TRP  26           H        TRP  26  -1.842  -4.935  -6.812
  144    HA   TRP  26           HA       TRP  26  -0.469  -3.723  -9.152
  145   1HB   TRP  26          2HB       TRP  26  -1.258  -2.541  -6.473
  146   2HB   TRP  26          1HB       TRP  26  -0.784  -1.651  -7.912
  147    HD1  TRP  26           HD       TRP  26  -2.563  -3.690  -9.855
  148    HE1  TRP  26           1HE      TRP  26  -5.100  -3.250  -9.966
  149    HE3  TRP  26           3HE      TRP  26  -3.172  -0.948  -5.593
  150    HZ2  TRP  26           2HZ      TRP  26  -7.120  -1.909  -8.449
  151    HZ3  TRP  26           3HZ      TRP  26  -5.410  -0.102  -4.949
  152    HH2  TRP  26           HH       TRP  26  -7.383  -0.578  -6.372
  153    H    LYS  27           H        LYS  27   0.316  -5.141  -6.073
  154    HA   LYS  27           HA       LYS  27   2.386  -5.551  -5.043
  155   1HB   LYS  27          2HB       LYS  27   2.833  -5.262  -7.840
  156   2HB   LYS  27          1HB       LYS  27   4.160  -4.447  -7.015
  157   1HG   LYS  27          2HG       LYS  27   3.229  -7.257  -6.352
  158   2HG   LYS  27          1HG       LYS  27   4.573  -6.897  -7.434
  159   1HD   LYS  27          2HD       LYS  27   4.810  -5.444  -4.920
  160   2HD   LYS  27          1HD       LYS  27   4.720  -7.183  -4.656
  161   1HE   LYS  27          2HE       LYS  27   6.465  -6.556  -6.910
  162   2HE   LYS  27          1HE       LYS  27   7.009  -5.761  -5.421
  163   1HZ   LYS  27          1HZ       LYS  27   7.873  -7.994  -5.477
  164   2HZ   LYS  27          2HZ       LYS  27   6.324  -8.638  -5.741
  165   3HZ   LYS  27          3HZ       LYS  27   6.697  -7.896  -4.258
  166    H    TRP  28           H        TRP  28   1.110  -2.572  -5.270
  167    HA   TRP  28           HA       TRP  28   3.457  -1.346  -3.874
  168   1HB   TRP  28          2HB       TRP  28   2.977   0.776  -4.977
  169   2HB   TRP  28          1HB       TRP  28   3.202  -0.474  -6.192
  170    HD1  TRP  28           HD       TRP  28   0.060   0.678  -4.199
  171    HE1  TRP  28           1HE      TRP  28  -1.838   1.081  -5.890
  172    HE3  TRP  28           3HE      TRP  28   2.522  -0.350  -8.550
  173    HZ2  TRP  28           2HZ      TRP  28  -2.260   0.987  -8.713
  174    HZ3  TRP  28           3HZ      TRP  28   1.348  -0.182 -10.726
  175    HH2  TRP  28           HH       TRP  28  -1.038   0.485 -10.813
  176    H    CYS  29           H        CYS  29   2.776   0.478  -2.404
  177    HA   CYS  29           HA       CYS  29   0.571  -0.380  -0.715
  178   1HB   CYS  29          2HB       CYS  29   2.912   0.882  -0.328
  179   2HB   CYS  29          1HB       CYS  29   1.863   2.295  -0.433
  180    H    VAL  30           H        VAL  30  -1.447   0.579  -0.469
  181    HA   VAL  30           HA       VAL  30  -2.143   2.869  -2.285
  182    HB   VAL  30           HB       VAL  30  -4.287   1.707  -2.697
  183   1HG1  VAL  30          1HG1      VAL  30  -2.541  -0.558  -3.289
  184   2HG1  VAL  30          2HG1      VAL  30  -1.801   0.987  -3.707
  185   3HG1  VAL  30          3HG1      VAL  30  -3.363   0.545  -4.391
  186   1HG2  VAL  30          1HG2      VAL  30  -5.014  -0.001  -1.411
  187   2HG2  VAL  30          2HG2      VAL  30  -3.631   0.296  -0.361
  188   3HG2  VAL  30          3HG2      VAL  30  -3.515  -0.898  -1.652
  189    H    TYR  31           H        TYR  31  -4.257   3.937  -1.494
  190    HA   TYR  31           HA       TYR  31  -4.022   4.458   1.380
  191   1HB   TYR  31          2HB       TYR  31  -4.510   6.111  -0.520
  192   2HB   TYR  31          1HB       TYR  31  -6.136   5.433  -0.560
  193    HD1  TYR  31           1HD      TYR  31  -7.314   7.413   0.166
  194    HD2  TYR  31           2HD      TYR  31  -4.117   5.790   2.533
  195    HE1  TYR  31           1HE      TYR  31  -7.966   8.877   2.059
  196    HE2  TYR  31           2HE      TYR  31  -4.770   7.250   4.421
  197    HH   TYR  31           HH       TYR  31  -7.245   8.440   5.057
  198    H    ALA  32           H        ALA  32  -5.074   3.263   2.896
  199    HA   ALA  32           HA       ALA  32  -7.307   1.483   2.109
  200   1HB   ALA  32          1HB       ALA  32  -6.878   0.470   4.262
  201   2HB   ALA  32          2HB       ALA  32  -5.959   1.877   4.799
  202   3HB   ALA  32          3HB       ALA  32  -5.310   0.829   3.538
  203    H    ARG  33           H        ARG  33  -8.569   3.634   1.707
  204    HA   ARG  33           HA       ARG  33 -10.103   4.281   4.191
  205   1HB   ARG  33          2HB       ARG  33  -8.179   5.916   3.034
  206   2HB   ARG  33          1HB       ARG  33  -9.676   6.531   2.339
  207   1HG   ARG  33          2HG       ARG  33  -9.304   6.054   5.307
  208   2HG   ARG  33          1HG       ARG  33  -8.994   7.608   4.533
  209   1HD   ARG  33          2HD       ARG  33 -11.652   6.172   4.251
  210   2HD   ARG  33          1HD       ARG  33 -11.329   7.343   5.545
  211    HE   ARG  33           HE       ARG  33 -10.885   8.102   2.683
  212   1HH1  ARG  33          1HH1      ARG  33 -13.376   8.169   4.885
  213   2HH1  ARG  33          2HH1      ARG  33 -13.568   9.891   4.911
  214   1HH2  ARG  33          1HH2      ARG  33 -10.677  10.511   3.089
  215   2HH2  ARG  33          2HH2      ARG  33 -12.040  11.216   3.892
  216    HA   PRO  34           HA       PRO  34 -12.679   3.317   0.411
  217   1HB   PRO  34          2HB       PRO  34 -14.209   1.365   1.575
  218   2HB   PRO  34          1HB       PRO  34 -12.662   1.035   0.771
  219   1HG   PRO  34          2HG       PRO  34 -13.270   1.285   3.672
  220   2HG   PRO  34          1HG       PRO  34 -12.169   0.177   2.839
  221   1HD   PRO  34          2HD       PRO  34 -11.342   2.412   4.171
  222   2HD   PRO  34          1HD       PRO  34 -10.457   1.693   2.807
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  11.719   9.738   3.926
    2   2H    GLY   1          2HT       GLY   1  11.225   8.539   5.024
    3   3H    GLY   1          3HT       GLY   1  10.981  10.181   5.385
    4   1HA   GLY   1          2HA       GLY   1   9.008  10.161   4.411
    5   2HA   GLY   1          1HA       GLY   1   9.772   9.640   2.909
    6    H    CYS   2           H        CYS   2   7.204   8.778   4.253
    7    HA   CYS   2           HA       CYS   2   7.697   5.966   5.001
    8   1HB   CYS   2          2HB       CYS   2   5.341   6.002   5.531
    9   2HB   CYS   2          1HB       CYS   2   6.009   7.547   6.053
   10    H    GLY   3           H        GLY   3   5.287   4.898   3.774
   11   1HA   GLY   3          2HA       GLY   3   6.349   4.139   1.191
   12   2HA   GLY   3          1HA       GLY   3   4.768   3.686   1.828
   13    H    GLY   4           H        GLY   4   2.983   4.719   1.000
   14   1HA   GLY   4          2HA       GLY   4   2.288   7.161   0.300
   15   2HA   GLY   4          1HA       GLY   4   3.487   6.900  -0.966
   16    H    LEU   5           H        LEU   5   1.380   7.323  -2.252
   17    HA   LEU   5           HA       LEU   5  -0.607   5.195  -2.393
   18   1HB   LEU   5          2HB       LEU   5   0.129   7.555  -4.144
   19   2HB   LEU   5          1HB       LEU   5  -1.270   6.525  -4.445
   20    HG   LEU   5           HG       LEU   5  -0.753   8.114  -1.914
   21   1HD1  LEU   5          1HD1      LEU   5  -2.829   8.451  -4.100
   22   2HD1  LEU   5          2HD1      LEU   5  -1.406   9.471  -3.889
   23   3HD1  LEU   5          3HD1      LEU   5  -2.668   9.453  -2.657
   24   1HD2  LEU   5          1HD2      LEU   5  -3.355   7.353  -1.809
   25   2HD2  LEU   5          2HD2      LEU   5  -2.053   6.424  -1.064
   26   3HD2  LEU   5          3HD2      LEU   5  -2.669   5.963  -2.651
   27    H    MET   6           H        MET   6   2.581   5.439  -3.607
   28    HA   MET   6           HA       MET   6   2.074   3.141  -5.431
   29   1HB   MET   6          2HB       MET   6   2.033   5.492  -6.535
   30   2HB   MET   6          1HB       MET   6   3.774   5.500  -6.249
   31   1HG   MET   6          2HG       MET   6   3.988   3.379  -7.497
   32   2HG   MET   6          1HG       MET   6   2.249   3.376  -7.786
   33   1HE   MET   6          1HE       MET   6   3.136   3.645 -11.010
   34   2HE   MET   6          2HE       MET   6   1.690   4.617 -10.751
   35   3HE   MET   6          3HE       MET   6   1.985   3.204  -9.742
   36    H    ALA   7           H        ALA   7   3.247   3.128  -2.835
   37    HA   ALA   7           HA       ALA   7   6.186   3.112  -3.165
   38   1HB   ALA   7          1HB       ALA   7   4.751   2.067  -0.755
   39   2HB   ALA   7          2HB       ALA   7   4.581   3.781  -1.134
   40   3HB   ALA   7          3HB       ALA   7   6.180   3.096  -0.846
   41    H    GLY   8           H        GLY   8   6.801   1.355  -4.432
   42   1HA   GLY   8          2HA       GLY   8   5.560  -1.180  -4.575
   43   2HA   GLY   8          1HA       GLY   8   7.258  -0.886  -4.957
   44    H    CYS   9           H        CYS   9   5.296  -2.663  -2.982
   45    HA   CYS   9           HA       CYS   9   7.354  -2.790  -0.806
   46   1HB   CYS   9          2HB       CYS   9   5.347  -3.724   0.512
   47   2HB   CYS   9          1HB       CYS   9   5.314  -2.008   0.118
   48    H    ASP  10           H        ASP  10   5.029  -4.790  -2.643
   49    HA   ASP  10           HA       ASP  10   5.061  -7.089  -3.179
   50   1HB   ASP  10          2HB       ASP  10   7.148  -5.985  -4.258
   51   2HB   ASP  10          1HB       ASP  10   8.063  -6.785  -2.980
   52    H    GLY  11           H        GLY  11   4.312  -7.201  -0.725
   53   1HA   GLY  11          2HA       GLY  11   5.148  -9.506   0.497
   54   2HA   GLY  11          1HA       GLY  11   6.285  -8.314   1.130
   55    H    LYS  12           H        LYS  12   3.611  -9.860   2.006
   56    HA   LYS  12           HA       LYS  12   1.785  -7.817   2.887
   57   1HB   LYS  12          2HB       LYS  12   0.968  -9.691   4.367
   58   2HB   LYS  12          1HB       LYS  12   1.130 -10.144   2.672
   59   1HG   LYS  12          2HG       LYS  12   2.349 -11.896   3.439
   60   2HG   LYS  12          1HG       LYS  12   3.638 -10.720   3.675
   61   1HD   LYS  12          2HD       LYS  12   2.952 -10.354   5.980
   62   2HD   LYS  12          1HD       LYS  12   1.549 -11.402   5.762
   63   1HE   LYS  12          2HE       LYS  12   3.359 -12.648   6.889
   64   2HE   LYS  12          1HE       LYS  12   3.105 -13.310   5.263
   65   1HZ   LYS  12          1HZ       LYS  12   4.927 -12.109   4.419
   66   2HZ   LYS  12          2HZ       LYS  12   5.486 -12.759   5.885
   67   3HZ   LYS  12          3HZ       LYS  12   5.037 -11.124   5.795
   68    H    SER  13           H        SER  13   4.917  -8.676   4.056
   69    HA   SER  13           HA       SER  13   4.361  -7.621   6.790
   70   1HB   SER  13          2HB       SER  13   6.372  -9.348   5.448
   71   2HB   SER  13          1HB       SER  13   6.981  -8.343   6.760
   72    HG   SER  13           HG       SER  13   6.098  -9.737   8.047
   73    H    THR  14           H        THR  14   4.626  -5.992   4.137
   74    HA   THR  14           HA       THR  14   7.065  -4.405   4.515
   75    HB   THR  14           HB       THR  14   5.863  -4.951   2.330
   76    HG1  THR  14           1HG      THR  14   6.050  -2.166   2.702
   77   1HG2  THR  14          1HG2      THR  14   4.056  -2.634   2.793
   78   2HG2  THR  14          2HG2      THR  14   3.616  -4.144   3.594
   79   3HG2  THR  14          3HG2      THR  14   3.797  -4.096   1.841
   80    H    PHE  15           H        PHE  15   6.801  -1.935   4.725
   81    HA   PHE  15           HA       PHE  15   4.569  -1.250   6.616
   82   1HB   PHE  15          2HB       PHE  15   7.547  -0.712   6.744
   83   2HB   PHE  15          1HB       PHE  15   6.389   0.176   7.735
   84    HD1  PHE  15           1HD      PHE  15   8.358  -2.793   7.475
   85    HD2  PHE  15           2HD      PHE  15   4.713  -1.243   9.140
   86    HE1  PHE  15           1HE      PHE  15   8.297  -4.671   9.094
   87    HE2  PHE  15           2HE      PHE  15   4.654  -3.121  10.758
   88    HZ   PHE  15           HZ       PHE  15   6.446  -4.834  10.735
   89    H    CYS  16           H        CYS  16   3.652   0.788   6.307
   90    HA   CYS  16           HA       CYS  16   4.807   2.499   4.125
   91   1HB   CYS  16          2HB       CYS  16   1.947   1.677   4.730
   92   2HB   CYS  16          1HB       CYS  16   2.366   2.936   3.570
   93    H    CYS  17           H        CYS  17   2.630   4.470   4.528
   94    HA   CYS  17           HA       CYS  17   3.828   6.091   6.581
   95   1HB   CYS  17          2HB       CYS  17   1.959   6.310   4.453
   96   2HB   CYS  17          1HB       CYS  17   1.150   6.905   5.903
   97    H    SER  18           H        SER  18   0.436   4.949   6.480
   98    HA   SER  18           HA       SER  18   0.597   4.152   9.335
   99   1HB   SER  18          2HB       SER  18  -0.785   6.547   8.205
  100   2HB   SER  18          1HB       SER  18  -1.605   5.674   9.495
  101    HG   SER  18           HG       SER  18  -0.308   7.091  10.527
  102    H    GLY  19           H        GLY  19  -2.194   4.992   7.286
  103   1HA   GLY  19          2HA       GLY  19  -3.188   2.210   7.620
  104   2HA   GLY  19          1HA       GLY  19  -4.174   3.597   7.158
  105    H    TYR  20           H        TYR  20  -1.168   3.491   5.514
  106    HA   TYR  20           HA       TYR  20  -2.452   3.076   2.938
  107   1HB   TYR  20          2HB       TYR  20   0.306   3.540   4.035
  108   2HB   TYR  20          1HB       TYR  20   0.144   3.002   2.364
  109    HD1  TYR  20           1HD      TYR  20   0.409   4.813   0.926
  110    HD2  TYR  20           2HD      TYR  20  -1.911   5.317   4.503
  111    HE1  TYR  20           1HE      TYR  20  -0.178   7.116   0.221
  112    HE2  TYR  20           2HE      TYR  20  -2.498   7.620   3.799
  113    HH   TYR  20           HH       TYR  20  -2.358   8.735   0.867
  114    H    ASN  21           H        ASN  21  -2.988   1.071   2.164
  115    HA   ASN  21           HA       ASN  21  -1.492  -1.315   3.178
  116   1HB   ASN  21          2HB       ASN  21  -4.172  -0.730   3.075
  117   2HB   ASN  21          1HB       ASN  21  -3.961  -1.653   1.587
  118   1HD2  ASN  21          1HD2      ASN  21  -4.618  -3.767   2.072
  119   2HD2  ASN  21          2HD2      ASN  21  -4.104  -4.646   3.431
  120    H    CYS  22           H        CYS  22  -0.803  -2.933   1.636
  121    HA   CYS  22           HA       CYS  22  -0.030  -1.797  -0.980
  122   1HB   CYS  22          2HB       CYS  22   0.692  -4.128   0.753
  123   2HB   CYS  22          1HB       CYS  22   1.062  -4.230  -0.969
  124    H    SER  23           H        SER  23  -0.934  -2.396  -2.924
  125    HA   SER  23           HA       SER  23  -3.334  -4.112  -2.899
  126   1HB   SER  23          2HB       SER  23  -2.758  -1.840  -4.169
  127   2HB   SER  23          1HB       SER  23  -2.095  -2.943  -5.370
  128    HG   SER  23           HG       SER  23  -4.694  -2.409  -4.700
  129    HA   PRO  24           HA       PRO  24  -1.082  -7.692  -4.203
  130   1HB   PRO  24          2HB       PRO  24  -3.186  -9.189  -5.103
  131   2HB   PRO  24          1HB       PRO  24  -2.844  -8.934  -3.380
  132   1HG   PRO  24          2HG       PRO  24  -4.855  -7.608  -5.124
  133   2HG   PRO  24          1HG       PRO  24  -4.985  -8.116  -3.434
  134   1HD   PRO  24          2HD       PRO  24  -4.556  -5.533  -4.213
  135   2HD   PRO  24          1HD       PRO  24  -4.034  -6.193  -2.648
  136    H    THR  25           H        THR  25  -3.231  -5.947  -6.388
  137    HA   THR  25           HA       THR  25  -2.154  -7.323  -8.778
  138    HB   THR  25           HB       THR  25  -4.548  -6.779  -8.590
  139    HG1  THR  25           1HG      THR  25  -4.582  -6.349 -10.634
  140   1HG2  THR  25          1HG2      THR  25  -3.452  -4.089  -7.973
  141   2HG2  THR  25          2HG2      THR  25  -4.909  -4.876  -7.371
  142   3HG2  THR  25          3HG2      THR  25  -4.903  -4.134  -8.971
  143    H    TRP  26           H        TRP  26  -1.642  -4.332  -7.007
  144    HA   TRP  26           HA       TRP  26  -0.055  -3.187  -9.264
  145   1HB   TRP  26          2HB       TRP  26  -0.898  -2.026  -6.591
  146   2HB   TRP  26          1HB       TRP  26  -0.175  -1.137  -7.925
  147    HD1  TRP  26           HD       TRP  26  -1.980  -2.820 -10.142
  148    HE1  TRP  26           1HE      TRP  26  -4.423  -2.076 -10.454
  149    HE3  TRP  26           3HE      TRP  26  -2.679  -0.246  -5.793
  150    HZ2  TRP  26           2HZ      TRP  26  -6.409  -0.564  -9.058
  151    HZ3  TRP  26           3HZ      TRP  26  -4.852   0.841  -5.310
  152    HH2  TRP  26           HH       TRP  26  -6.718   0.684  -6.935
  153    H    LYS  27           H        LYS  27   0.302  -4.684  -6.135
  154    HA   LYS  27           HA       LYS  27   2.224  -5.425  -5.010
  155   1HB   LYS  27          2HB       LYS  27   2.878  -5.329  -7.684
  156   2HB   LYS  27          1HB       LYS  27   4.130  -4.318  -6.960
  157   1HG   LYS  27          2HG       LYS  27   4.999  -6.532  -6.889
  158   2HG   LYS  27          1HG       LYS  27   4.447  -6.201  -5.248
  159   1HD   LYS  27          2HD       LYS  27   2.323  -7.299  -6.934
  160   2HD   LYS  27          1HD       LYS  27   3.704  -8.386  -6.804
  161   1HE   LYS  27          2HE       LYS  27   2.968  -8.998  -4.751
  162   2HE   LYS  27          1HE       LYS  27   3.242  -7.337  -4.193
  163   1HZ   LYS  27          1HZ       LYS  27   0.780  -8.546  -5.277
  164   2HZ   LYS  27          2HZ       LYS  27   1.039  -6.876  -5.451
  165   3HZ   LYS  27          3HZ       LYS  27   0.975  -7.572  -3.903
  166    H    TRP  28           H        TRP  28   1.331  -2.292  -5.281
  167    HA   TRP  28           HA       TRP  28   3.656  -1.393  -3.622
  168   1HB   TRP  28          2HB       TRP  28   3.457   0.815  -4.654
  169   2HB   TRP  28          1HB       TRP  28   3.682  -0.407  -5.895
  170    HD1  TRP  28           HD       TRP  28   0.494   0.984  -4.140
  171    HE1  TRP  28           1HE      TRP  28  -1.195   1.620  -5.977
  172    HE3  TRP  28           3HE      TRP  28   3.218  -0.200  -8.292
  173    HZ2  TRP  28           2HZ      TRP  28  -1.370   1.632  -8.827
  174    HZ3  TRP  28           3HZ      TRP  28   2.267   0.136 -10.555
  175    HH2  TRP  28           HH       TRP  28  -0.021   1.051 -10.827
  176    H    CYS  29           H        CYS  29   2.987   0.608  -2.255
  177    HA   CYS  29           HA       CYS  29   0.605  -0.144  -0.720
  178   1HB   CYS  29          2HB       CYS  29   3.045   0.902  -0.137
  179   2HB   CYS  29          1HB       CYS  29   2.067   2.369  -0.144
  180    H    VAL  30           H        VAL  30  -1.250   1.122  -0.438
  181    HA   VAL  30           HA       VAL  30  -1.580   3.541  -2.174
  182    HB   VAL  30           HB       VAL  30  -3.748   2.642  -2.902
  183   1HG1  VAL  30          1HG1      VAL  30  -1.820   0.352  -3.233
  184   2HG1  VAL  30          2HG1      VAL  30  -1.487   1.918  -3.973
  185   3HG1  VAL  30          3HG1      VAL  30  -2.947   1.031  -4.406
  186   1HG2  VAL  30          1HG2      VAL  30  -3.562  -0.075  -2.026
  187   2HG2  VAL  30          2HG2      VAL  30  -4.817   1.105  -1.649
  188   3HG2  VAL  30          3HG2      VAL  30  -3.404   0.958  -0.605
  189    H    TYR  31           H        TYR  31  -4.134   4.225  -1.514
  190    HA   TYR  31           HA       TYR  31  -3.921   4.818   1.392
  191   1HB   TYR  31          2HB       TYR  31  -4.306   6.720   0.020
  192   2HB   TYR  31          1HB       TYR  31  -5.493   5.872  -0.968
  193    HD1  TYR  31           1HD      TYR  31  -7.791   5.994  -0.453
  194    HD2  TYR  31           2HD      TYR  31  -4.886   7.131   2.504
  195    HE1  TYR  31           1HE      TYR  31  -9.609   6.828   1.012
  196    HE2  TYR  31           2HE      TYR  31  -6.706   7.965   3.967
  197    HH   TYR  31           HH       TYR  31  -9.579   7.180   3.951
  198    H    ALA  32           H        ALA  32  -5.383   3.999   2.889
  199    HA   ALA  32           HA       ALA  32  -7.191   1.833   1.990
  200   1HB   ALA  32          1HB       ALA  32  -5.886   1.280   3.870
  201   2HB   ALA  32          2HB       ALA  32  -7.435   1.723   4.590
  202   3HB   ALA  32          3HB       ALA  32  -6.098   2.873   4.599
  203    H    ARG  33           H        ARG  33  -9.447   1.911   2.202
  204    HA   ARG  33           HA       ARG  33 -10.856   4.327   1.929
  205   1HB   ARG  33          2HB       ARG  33 -11.502   1.519   2.749
  206   2HB   ARG  33          1HB       ARG  33 -12.764   2.741   2.907
  207   1HG   ARG  33          2HG       ARG  33 -11.192   2.527   0.351
  208   2HG   ARG  33          1HG       ARG  33 -12.540   1.430   0.651
  209   1HD   ARG  33          2HD       ARG  33 -14.123   3.133   0.570
  210   2HD   ARG  33          1HD       ARG  33 -12.966   4.371   1.097
  211    HE   ARG  33           HE       ARG  33 -12.549   3.087  -1.558
  212   1HH1  ARG  33          1HH2      ARG  33 -14.808   5.084  -1.572
  213   2HH1  ARG  33          2HH2      ARG  33 -13.983   6.553  -1.976
  214   1HH2  ARG  33          1HH1      ARG  33 -10.829   5.300  -1.232
  215   2HH2  ARG  33          2HH1      ARG  33 -11.727   6.675  -1.783
  216    HA   PRO  34           HA       PRO  34 -11.857   4.338   6.617
  217   1HB   PRO  34          2HB       PRO  34 -10.489   2.619   8.255
  218   2HB   PRO  34          1HB       PRO  34 -12.031   2.199   7.482
  219   1HG   PRO  34          2HG       PRO  34  -9.260   1.451   6.703
  220   2HG   PRO  34          1HG       PRO  34 -10.745   0.490   6.654
  221   1HD   PRO  34          2HD       PRO  34  -9.637   1.660   4.457
  222   2HD   PRO  34          1HD       PRO  34 -11.374   1.327   4.620
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  10.928   6.493   2.722
    2   2H    GLY   1          2HT       GLY   1  11.746   5.130   2.119
    3   3H    GLY   1          3HT       GLY   1  12.612   6.370   2.895
    4   1HA   GLY   1          2HA       GLY   1  12.323   4.419   4.328
    5   2HA   GLY   1          1HA       GLY   1  11.573   5.873   4.990
    6    H    CYS   2           H        CYS   2   9.199   6.169   4.376
    7    HA   CYS   2           HA       CYS   2   7.803   3.567   4.737
    8   1HB   CYS   2          2HB       CYS   2   5.954   4.987   5.452
    9   2HB   CYS   2          1HB       CYS   2   7.432   5.548   6.233
   10    H    GLY   3           H        GLY   3   5.423   3.788   3.600
   11   1HA   GLY   3          2HA       GLY   3   6.023   4.051   0.699
   12   2HA   GLY   3          1HA       GLY   3   4.675   3.147   1.386
   13    H    GLY   4           H        GLY   4   3.106   4.236   0.109
   14   1HA   GLY   4          2HA       GLY   4   1.981   6.611   1.237
   15   2HA   GLY   4          1HA       GLY   4   2.869   7.040  -0.225
   16    H    LEU   5           H        LEU   5   1.729   6.919  -2.103
   17    HA   LEU   5           HA       LEU   5  -0.813   5.329  -2.108
   18   1HB   LEU   5          2HB       LEU   5  -0.353   7.980  -2.583
   19   2HB   LEU   5          1HB       LEU   5  -0.282   7.329  -4.221
   20    HG   LEU   5           HG       LEU   5  -2.476   6.097  -2.838
   21   1HD1  LEU   5          1HD1      LEU   5  -3.843   8.214  -2.566
   22   2HD1  LEU   5          2HD1      LEU   5  -2.334   9.118  -2.697
   23   3HD1  LEU   5          3HD1      LEU   5  -2.574   7.991  -1.362
   24   1HD2  LEU   5          1HD2      LEU   5  -3.744   7.226  -4.704
   25   2HD2  LEU   5          2HD2      LEU   5  -2.348   6.297  -5.251
   26   3HD2  LEU   5          3HD2      LEU   5  -2.251   8.055  -5.145
   27    H    MET   6           H        MET   6   2.332   5.517  -3.533
   28    HA   MET   6           HA       MET   6   1.679   3.255  -5.328
   29   1HB   MET   6          2HB       MET   6   1.843   5.976  -6.170
   30   2HB   MET   6          1HB       MET   6   3.273   5.151  -6.790
   31   1HG   MET   6          2HG       MET   6   2.023   3.644  -8.054
   32   2HG   MET   6          1HG       MET   6   0.587   3.832  -7.047
   33   1HE   MET   6          1HE       MET   6  -0.749   3.854  -9.160
   34   2HE   MET   6          2HE       MET   6  -1.353   5.420  -9.692
   35   3HE   MET   6          3HE       MET   6  -1.429   4.988  -7.986
   36    H    ALA   7           H        ALA   7   3.307   3.665  -2.879
   37    HA   ALA   7           HA       ALA   7   6.126   3.766  -3.572
   38   1HB   ALA   7          1HB       ALA   7   6.111   4.055  -1.332
   39   2HB   ALA   7          2HB       ALA   7   5.670   2.359  -1.138
   40   3HB   ALA   7          3HB       ALA   7   4.414   3.588  -1.266
   41    H    GLY   8           H        GLY   8   7.206   1.537  -2.293
   42   1HA   GLY   8          2HA       GLY   8   6.464  -0.608  -4.223
   43   2HA   GLY   8          1HA       GLY   8   8.018  -0.482  -3.399
   44    H    CYS   9           H        CYS   9   5.159  -2.143  -3.436
   45    HA   CYS   9           HA       CYS   9   5.294  -2.821  -0.521
   46   1HB   CYS   9          2HB       CYS   9   3.191  -2.220  -2.391
   47   2HB   CYS   9          1HB       CYS   9   2.970  -3.863  -1.793
   48    H    ASP  10           H        ASP  10   7.215  -3.974  -2.309
   49    HA   ASP  10           HA       ASP  10   6.349  -6.572  -3.271
   50   1HB   ASP  10          2HB       ASP  10   9.003  -5.225  -2.707
   51   2HB   ASP  10          1HB       ASP  10   8.917  -6.881  -3.311
   52    H    GLY  11           H        GLY  11   5.217  -7.302  -1.294
   53   1HA   GLY  11          2HA       GLY  11   6.225  -9.305   0.178
   54   2HA   GLY  11          1HA       GLY  11   6.885  -7.925   1.062
   55    H    LYS  12           H        LYS  12   4.414 -10.034   1.193
   56    HA   LYS  12           HA       LYS  12   2.085  -8.386   1.598
   57   1HB   LYS  12          2HB       LYS  12   1.143 -10.442   2.473
   58   2HB   LYS  12          1HB       LYS  12   2.204 -10.862   1.129
   59   1HG   LYS  12          2HG       LYS  12   4.029 -11.084   3.015
   60   2HG   LYS  12          1HG       LYS  12   2.631 -11.266   4.074
   61   1HD   LYS  12          2HD       LYS  12   2.293 -13.377   3.374
   62   2HD   LYS  12          1HD       LYS  12   2.299 -12.869   1.686
   63   1HE   LYS  12          2HE       LYS  12   4.876 -13.178   3.249
   64   2HE   LYS  12          1HE       LYS  12   4.143 -14.533   2.370
   65   1HZ   LYS  12          1HZ       LYS  12   5.432 -13.573   0.739
   66   2HZ   LYS  12          2HZ       LYS  12   5.201 -11.994   1.316
   67   3HZ   LYS  12          3HZ       LYS  12   3.955 -12.786   0.474
   68    H    SER  13           H        SER  13   4.903  -8.747   3.522
   69    HA   SER  13           HA       SER  13   3.440  -7.949   6.013
   70   1HB   SER  13          2HB       SER  13   4.984 -10.034   5.762
   71   2HB   SER  13          1HB       SER  13   6.306  -8.870   5.802
   72    HG   SER  13           HG       SER  13   5.489  -9.824   7.876
   73    H    THR  14           H        THR  14   4.260  -6.127   3.716
   74    HA   THR  14           HA       THR  14   6.422  -4.487   4.912
   75    HB   THR  14           HB       THR  14   6.135  -5.054   2.431
   76    HG1  THR  14           1HG      THR  14   6.118  -2.287   3.033
   77   1HG2  THR  14          1HG2      THR  14   4.462  -4.010   1.154
   78   2HG2  THR  14          2HG2      THR  14   4.098  -2.836   2.419
   79   3HG2  THR  14          3HG2      THR  14   3.597  -4.517   2.604
   80    H    PHE  15           H        PHE  15   6.055  -2.242   5.492
   81    HA   PHE  15           HA       PHE  15   3.203  -1.649   6.214
   82   1HB   PHE  15          2HB       PHE  15   5.846  -1.366   7.572
   83   2HB   PHE  15          1HB       PHE  15   4.642  -0.116   7.895
   84    HD1  PHE  15           1HD      PHE  15   3.001  -0.490   9.517
   85    HD2  PHE  15           2HD      PHE  15   4.987  -3.852   7.725
   86    HE1  PHE  15           1HE      PHE  15   1.814  -2.018  11.068
   87    HE2  PHE  15           2HE      PHE  15   3.800  -5.379   9.275
   88    HZ   PHE  15           HZ       PHE  15   2.213  -4.463  10.946
   89    H    CYS  16           H        CYS  16   2.528   0.583   6.026
   90    HA   CYS  16           HA       CYS  16   4.016   2.090   3.914
   91   1HB   CYS  16          2HB       CYS  16   1.179   2.391   4.952
   92   2HB   CYS  16          1HB       CYS  16   1.838   3.088   3.474
   93    H    CYS  17           H        CYS  17   2.991   4.636   4.345
   94    HA   CYS  17           HA       CYS  17   4.575   5.544   6.634
   95   1HB   CYS  17          2HB       CYS  17   3.825   6.533   4.162
   96   2HB   CYS  17          1HB       CYS  17   2.825   7.472   5.267
   97    H    SER  18           H        SER  18   1.233   6.446   5.744
   98    HA   SER  18           HA       SER  18   0.137   5.643   8.333
   99   1HB   SER  18          2HB       SER  18   1.326   8.275   7.896
  100   2HB   SER  18          1HB       SER  18  -0.360   8.398   8.386
  101    HG   SER  18           HG       SER  18   0.113   7.520  10.273
  102    H    GLY  19           H        GLY  19  -1.954   5.105   7.856
  103   1HA   GLY  19          2HA       GLY  19  -4.132   5.278   6.972
  104   2HA   GLY  19          1HA       GLY  19  -3.709   6.878   6.367
  105    H    TYR  20           H        TYR  20  -1.822   4.001   5.574
  106    HA   TYR  20           HA       TYR  20  -2.939   4.105   2.791
  107   1HB   TYR  20          2HB       TYR  20  -0.068   3.974   3.755
  108   2HB   TYR  20          1HB       TYR  20  -0.539   3.672   2.084
  109    HD1  TYR  20           1HD      TYR  20   0.960   6.069   3.884
  110    HD2  TYR  20           2HD      TYR  20  -2.587   5.619   1.502
  111    HE1  TYR  20           1HE      TYR  20   0.943   8.509   3.444
  112    HE2  TYR  20           2HE      TYR  20  -2.603   8.058   1.064
  113    HH   TYR  20           HH       TYR  20  -0.269   9.967   1.227
  114    H    ASN  21           H        ASN  21  -3.503   2.120   2.007
  115    HA   ASN  21           HA       ASN  21  -2.847  -0.287   3.627
  116   1HB   ASN  21          2HB       ASN  21  -5.197   0.184   3.103
  117   2HB   ASN  21          1HB       ASN  21  -4.816   0.276   1.384
  118   1HD2  ASN  21          1HD2      ASN  21  -4.675  -1.697   0.207
  119   2HD2  ASN  21          2HD2      ASN  21  -4.899  -3.223   0.915
  120    H    CYS  22           H        CYS  22  -1.626  -1.972   2.781
  121    HA   CYS  22           HA       CYS  22  -0.085  -1.402   0.329
  122   1HB   CYS  22          2HB       CYS  22   1.009  -2.165   2.376
  123   2HB   CYS  22          1HB       CYS  22  -0.008  -3.606   2.409
  124    H    SER  23           H        SER  23  -0.455  -2.374  -1.621
  125    HA   SER  23           HA       SER  23  -2.556  -4.504  -1.776
  126   1HB   SER  23          2HB       SER  23  -1.767  -2.133  -3.323
  127   2HB   SER  23          1HB       SER  23  -2.015  -3.555  -4.330
  128    HG   SER  23           HG       SER  23  -3.935  -2.293  -3.909
  129    HA   PRO  24           HA       PRO  24   0.968  -7.120  -2.738
  130   1HB   PRO  24          2HB       PRO  24  -0.448  -9.454  -2.928
  131   2HB   PRO  24          1HB       PRO  24   0.011  -8.726  -1.376
  132   1HG   PRO  24          2HG       PRO  24  -2.601  -8.660  -2.797
  133   2HG   PRO  24          1HG       PRO  24  -2.260  -8.797  -1.066
  134   1HD   PRO  24          2HD       PRO  24  -3.047  -6.480  -2.280
  135   2HD   PRO  24          1HD       PRO  24  -2.079  -6.536  -0.791
  136    H    THR  25           H        THR  25  -2.064  -6.986  -4.560
  137    HA   THR  25           HA       THR  25  -1.009  -8.334  -6.932
  138    HB   THR  25           HB       THR  25  -3.463  -6.612  -6.440
  139    HG1  THR  25           1HG      THR  25  -4.233  -8.330  -5.554
  140   1HG2  THR  25          1HG2      THR  25  -4.319  -7.978  -8.439
  141   2HG2  THR  25          2HG2      THR  25  -2.629  -8.379  -8.743
  142   3HG2  THR  25          3HG2      THR  25  -3.158  -6.698  -8.794
  143    H    TRP  26           H        TRP  26  -1.256  -5.001  -5.796
  144    HA   TRP  26           HA       TRP  26  -0.436  -3.941  -8.453
  145   1HB   TRP  26          2HB       TRP  26  -1.178  -2.579  -5.841
  146   2HB   TRP  26          1HB       TRP  26  -0.975  -1.780  -7.399
  147    HD1  TRP  26           HD       TRP  26  -3.336  -4.085  -5.490
  148    HE1  TRP  26           1HE      TRP  26  -5.573  -4.237  -6.758
  149    HE3  TRP  26           3HE      TRP  26  -2.093  -1.600  -9.775
  150    HZ2  TRP  26           2HZ      TRP  26  -6.690  -3.412  -9.256
  151    HZ3  TRP  26           3HZ      TRP  26  -3.762  -1.298 -11.581
  152    HH2  TRP  26           HH       TRP  26  -6.056  -2.201 -11.327
  153    H    LYS  27           H        LYS  27   1.011  -4.886  -5.481
  154    HA   LYS  27           HA       LYS  27   3.220  -4.769  -4.713
  155   1HB   LYS  27          2HB       LYS  27   3.253  -4.712  -7.535
  156   2HB   LYS  27          1HB       LYS  27   4.412  -3.488  -7.019
  157   1HG   LYS  27          2HG       LYS  27   5.630  -5.546  -7.134
  158   2HG   LYS  27          1HG       LYS  27   5.359  -5.232  -5.420
  159   1HD   LYS  27          2HD       LYS  27   3.173  -6.653  -5.802
  160   2HD   LYS  27          1HD       LYS  27   4.056  -7.270  -7.200
  161   1HE   LYS  27          2HE       LYS  27   5.981  -7.816  -5.655
  162   2HE   LYS  27          1HE       LYS  27   4.926  -7.389  -4.293
  163   1HZ   LYS  27          1HZ       LYS  27   3.277  -8.966  -5.155
  164   2HZ   LYS  27          2HZ       LYS  27   4.737  -9.741  -4.762
  165   3HZ   LYS  27          3HZ       LYS  27   4.351  -9.422  -6.387
  166    H    TRP  28           H        TRP  28   1.361  -2.371  -4.434
  167    HA   TRP  28           HA       TRP  28   3.418  -0.555  -3.403
  168   1HB   TRP  28          2HB       TRP  28   2.792   1.369  -4.746
  169   2HB   TRP  28          1HB       TRP  28   3.232   0.055  -5.822
  170    HD1  TRP  28           HD       TRP  28  -0.128   1.156  -4.179
  171    HE1  TRP  28           1HE      TRP  28  -1.919   1.181  -6.033
  172    HE3  TRP  28           3HE      TRP  28   2.717  -0.236  -8.172
  173    HZ2  TRP  28           2HZ      TRP  28  -2.114   0.692  -8.842
  174    HZ3  TRP  28           3HZ      TRP  28   1.712  -0.440 -10.428
  175    HH2  TRP  28           HH       TRP  28  -0.699   0.024 -10.768
  176    H    CYS  29           H        CYS  29   2.526   0.932  -1.850
  177    HA   CYS  29           HA       CYS  29  -0.023   0.059  -0.691
  178   1HB   CYS  29          2HB       CYS  29   2.177   0.737   0.478
  179   2HB   CYS  29          1HB       CYS  29   1.698   2.399   0.143
  180    H    VAL  30           H        VAL  30  -1.905   1.333  -0.529
  181    HA   VAL  30           HA       VAL  30  -1.976   3.879  -2.116
  182    HB   VAL  30           HB       VAL  30  -4.196   3.116  -2.943
  183   1HG1  VAL  30          1HG1      VAL  30  -2.050   2.582  -4.166
  184   2HG1  VAL  30          2HG1      VAL  30  -3.391   1.491  -4.517
  185   3HG1  VAL  30          3HG1      VAL  30  -2.105   0.983  -3.422
  186   1HG2  VAL  30          1HG2      VAL  30  -5.281   1.355  -2.036
  187   2HG2  VAL  30          2HG2      VAL  30  -4.031   1.325  -0.792
  188   3HG2  VAL  30          3HG2      VAL  30  -3.872   0.311  -2.226
  189    H    TYR  31           H        TYR  31  -4.571   4.620  -1.589
  190    HA   TYR  31           HA       TYR  31  -4.460   5.584   1.123
  191   1HB   TYR  31          2HB       TYR  31  -5.687   6.395  -1.075
  192   2HB   TYR  31          1HB       TYR  31  -6.999   5.382  -0.473
  193    HD1  TYR  31           1HD      TYR  31  -8.047   5.852   1.728
  194    HD2  TYR  31           2HD      TYR  31  -5.074   8.452   0.037
  195    HE1  TYR  31           1HE      TYR  31  -8.697   7.634   3.324
  196    HE2  TYR  31           2HE      TYR  31  -5.726  10.235   1.632
  197    HH   TYR  31           HH       TYR  31  -8.350  10.530   3.081
  198    H    ALA  32           H        ALA  32  -5.777   4.935   2.937
  199    HA   ALA  32           HA       ALA  32  -6.455   2.054   2.956
  200   1HB   ALA  32          1HB       ALA  32  -6.844   2.673   5.430
  201   2HB   ALA  32          2HB       ALA  32  -6.235   4.272   5.001
  202   3HB   ALA  32          3HB       ALA  32  -5.201   2.855   4.818
  203    H    ARG  33           H        ARG  33  -8.506   1.415   2.464
  204    HA   ARG  33           HA       ARG  33 -10.784   3.246   3.152
  205   1HB   ARG  33          2HB       ARG  33  -9.834   2.333   0.626
  206   2HB   ARG  33          1HB       ARG  33 -11.364   1.509   0.928
  207   1HG   ARG  33          2HG       ARG  33 -12.340   3.412   0.185
  208   2HG   ARG  33          1HG       ARG  33 -11.902   4.090   1.754
  209   1HD   ARG  33          2HD       ARG  33  -9.658   4.733   0.726
  210   2HD   ARG  33          1HD       ARG  33 -10.362   4.313  -0.849
  211    HE   ARG  33           HE       ARG  33 -12.138   6.008  -0.393
  212   1HH1  ARG  33          1HH1      ARG  33 -11.420   6.182   2.596
  213   2HH1  ARG  33          2HH1      ARG  33 -10.661   7.737   2.654
  214   1HH2  ARG  33          1HH2      ARG  33 -10.234   7.948  -0.789
  215   2HH2  ARG  33          2HH2      ARG  33  -9.986   8.740   0.731
  216    HA   PRO  34           HA       PRO  34 -11.489  -0.765   5.258
  217   1HB   PRO  34          2HB       PRO  34 -12.837   0.318   7.384
  218   2HB   PRO  34          1HB       PRO  34 -11.067   0.216   7.310
  219   1HG   PRO  34          2HG       PRO  34 -12.852   2.538   6.789
  220   2HG   PRO  34          1HG       PRO  34 -11.276   2.483   7.591
  221   1HD   PRO  34          2HD       PRO  34 -11.627   3.320   5.018
  222   2HD   PRO  34          1HD       PRO  34 -10.120   2.594   5.620
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  11.081   6.066   8.542
    2   2H    GLY   1          2HT       GLY   1   9.909   4.844   8.390
    3   3H    GLY   1          3HT       GLY   1   9.434   6.455   8.653
    4   1HA   GLY   1          2HA       GLY   1  10.316   7.103   6.503
    5   2HA   GLY   1          1HA       GLY   1  10.811   5.432   6.228
    6    H    CYS   2           H        CYS   2   8.345   7.635   5.691
    7    HA   CYS   2           HA       CYS   2   6.098   5.723   5.745
    8   1HB   CYS   2          2HB       CYS   2   6.554   8.623   5.081
    9   2HB   CYS   2          1HB       CYS   2   5.049   7.848   4.589
   10    H    GLY   3           H        GLY   3   5.162   4.775   3.895
   11   1HA   GLY   3          2HA       GLY   3   6.865   4.544   1.535
   12   2HA   GLY   3          1HA       GLY   3   5.303   3.757   1.768
   13    H    GLY   4           H        GLY   4   3.369   4.954   1.248
   14   1HA   GLY   4          2HA       GLY   4   2.851   7.497   0.547
   15   2HA   GLY   4          1HA       GLY   4   3.826   7.002  -0.837
   16    H    LEU   5           H        LEU   5   1.816   7.432  -2.083
   17    HA   LEU   5           HA       LEU   5  -0.401   5.495  -1.713
   18   1HB   LEU   5          2HB       LEU   5  -0.245   8.130  -2.417
   19   2HB   LEU   5          1HB       LEU   5  -0.371   7.366  -4.003
   20    HG   LEU   5           HG       LEU   5  -2.206   6.233  -2.006
   21   1HD1  LEU   5          1HD1      LEU   5  -2.456   8.422  -1.146
   22   2HD1  LEU   5          2HD1      LEU   5  -3.763   8.269  -2.320
   23   3HD1  LEU   5          3HD1      LEU   5  -2.300   9.159  -2.740
   24   1HD2  LEU   5          1HD2      LEU   5  -2.954   5.584  -4.045
   25   2HD2  LEU   5          2HD2      LEU   5  -2.042   6.849  -4.868
   26   3HD2  LEU   5          3HD2      LEU   5  -3.629   7.206  -4.187
   27    H    MET   6           H        MET   6   2.549   5.465  -3.337
   28    HA   MET   6           HA       MET   6   1.632   3.273  -5.110
   29   1HB   MET   6          2HB       MET   6   2.117   5.983  -5.946
   30   2HB   MET   6          1HB       MET   6   3.357   4.946  -6.651
   31   1HG   MET   6          2HG       MET   6   0.771   3.656  -6.807
   32   2HG   MET   6          1HG       MET   6   0.700   5.257  -7.541
   33   1HE   MET   6          1HE       MET   6   0.476   3.962 -10.320
   34   2HE   MET   6          2HE       MET   6   1.851   4.968 -10.769
   35   3HE   MET   6          3HE       MET   6   0.743   5.513  -9.513
   36    H    ALA   7           H        ALA   7   3.329   3.445  -2.706
   37    HA   ALA   7           HA       ALA   7   6.120   3.182  -3.614
   38   1HB   ALA   7          1HB       ALA   7   4.566   3.226  -1.066
   39   2HB   ALA   7          2HB       ALA   7   6.035   4.101  -1.498
   40   3HB   ALA   7          3HB       ALA   7   6.124   2.402  -1.033
   41    H    GLY   8           H        GLY   8   6.462   1.306  -4.817
   42   1HA   GLY   8          2HA       GLY   8   5.114  -1.166  -4.564
   43   2HA   GLY   8          1HA       GLY   8   6.743  -0.992  -5.217
   44    H    CYS   9           H        CYS   9   4.970  -2.356  -2.715
   45    HA   CYS   9           HA       CYS   9   7.286  -2.368  -0.830
   46   1HB   CYS   9          2HB       CYS   9   5.610  -3.012   0.819
   47   2HB   CYS   9          1HB       CYS   9   5.027  -1.619  -0.083
   48    H    ASP  10           H        ASP  10   5.138  -4.552  -2.636
   49    HA   ASP  10           HA       ASP  10   5.322  -6.851  -3.128
   50   1HB   ASP  10          2HB       ASP  10   7.485  -5.786  -3.981
   51   2HB   ASP  10          1HB       ASP  10   8.251  -6.374  -2.507
   52    H    GLY  11           H        GLY  11   4.160  -7.221  -0.988
   53   1HA   GLY  11          2HA       GLY  11   5.110  -9.361   0.472
   54   2HA   GLY  11          1HA       GLY  11   5.755  -7.966   1.338
   55    H    LYS  12           H        LYS  12   3.704  -9.917   2.217
   56    HA   LYS  12           HA       LYS  12   1.159  -8.423   2.238
   57   1HB   LYS  12          2HB       LYS  12   0.331 -10.395   3.329
   58   2HB   LYS  12          1HB       LYS  12   1.468 -10.948   2.103
   59   1HG   LYS  12          2HG       LYS  12   3.088 -10.545   4.321
   60   2HG   LYS  12          1HG       LYS  12   1.608 -11.198   5.020
   61   1HD   LYS  12          2HD       LYS  12   1.718 -13.162   3.672
   62   2HD   LYS  12          1HD       LYS  12   2.956 -12.464   2.627
   63   1HE   LYS  12          2HE       LYS  12   3.505 -12.785   5.577
   64   2HE   LYS  12          1HE       LYS  12   3.709 -14.162   4.477
   65   1HZ   LYS  12          1HZ       LYS  12   4.931 -11.470   4.147
   66   2HZ   LYS  12          2HZ       LYS  12   5.078 -12.755   3.043
   67   3HZ   LYS  12          3HZ       LYS  12   5.752 -12.884   4.597
   68    H    SER  13           H        SER  13   4.020  -8.102   3.956
   69    HA   SER  13           HA       SER  13   2.632  -6.689   6.172
   70   1HB   SER  13          2HB       SER  13   4.118  -7.937   7.793
   71   2HB   SER  13          1HB       SER  13   2.932  -8.960   6.988
   72    HG   SER  13           HG       SER  13   5.399  -9.469   7.082
   73    H    THR  14           H        THR  14   3.945  -5.464   4.072
   74    HA   THR  14           HA       THR  14   6.769  -4.984   4.579
   75    HB   THR  14           HB       THR  14   5.460  -4.812   2.394
   76    HG1  THR  14           1HG      THR  14   7.322  -3.883   2.085
   77   1HG2  THR  14          1HG2      THR  14   4.764  -2.048   2.651
   78   2HG2  THR  14          2HG2      THR  14   3.982  -2.936   3.960
   79   3HG2  THR  14          3HG2      THR  14   3.709  -3.411   2.285
   80    H    PHE  15           H        PHE  15   7.142  -2.281   4.531
   81    HA   PHE  15           HA       PHE  15   5.812  -1.308   7.042
   82   1HB   PHE  15          2HB       PHE  15   8.266  -2.006   7.104
   83   2HB   PHE  15          1HB       PHE  15   8.593  -0.650   6.026
   84    HD1  PHE  15           1HD      PHE  15   8.571   1.621   6.820
   85    HD2  PHE  15           2HD      PHE  15   7.329  -1.595   9.384
   86    HE1  PHE  15           1HE      PHE  15   8.591   3.161   8.763
   87    HE2  PHE  15           2HE      PHE  15   7.351  -0.054  11.326
   88    HZ   PHE  15           HZ       PHE  15   7.981   2.325  11.016
   89    H    CYS  16           H        CYS  16   4.247   0.055   6.124
   90    HA   CYS  16           HA       CYS  16   5.085   2.045   4.061
   91   1HB   CYS  16          2HB       CYS  16   2.930   0.436   4.229
   92   2HB   CYS  16          1HB       CYS  16   2.297   1.818   5.123
   93    H    CYS  17           H        CYS  17   2.858   3.859   5.018
   94    HA   CYS  17           HA       CYS  17   4.438   5.264   7.103
   95   1HB   CYS  17          2HB       CYS  17   3.624   6.307   4.940
   96   2HB   CYS  17          1HB       CYS  17   1.981   6.152   5.556
   97    H    SER  18           H        SER  18   1.067   6.020   7.107
   98    HA   SER  18           HA       SER  18   0.520   4.199   9.409
   99   1HB   SER  18          2HB       SER  18   1.293   6.908   9.586
  100   2HB   SER  18          1HB       SER  18  -0.440   6.892   9.897
  101    HG   SER  18           HG       SER  18  -0.130   5.621  11.618
  102    H    GLY  19           H        GLY  19  -0.500   4.725   6.500
  103   1HA   GLY  19          2HA       GLY  19  -3.266   4.119   7.000
  104   2HA   GLY  19          1HA       GLY  19  -3.100   5.801   6.492
  105    H    TYR  20           H        TYR  20  -1.192   2.981   5.454
  106    HA   TYR  20           HA       TYR  20  -2.332   3.255   2.699
  107   1HB   TYR  20          2HB       TYR  20   0.560   3.304   3.613
  108   2HB   TYR  20          1HB       TYR  20   0.097   3.027   1.935
  109    HD1  TYR  20           1HD      TYR  20   0.533   5.488   4.562
  110    HD2  TYR  20           2HD      TYR  20  -1.223   4.797   0.704
  111    HE1  TYR  20           1HE      TYR  20   0.322   7.935   4.219
  112    HE2  TYR  20           2HE      TYR  20  -1.436   7.242   0.361
  113    HH   TYR  20           HH       TYR  20  -1.485   9.404   2.527
  114    H    ASN  21           H        ASN  21  -2.592   1.254   1.685
  115    HA   ASN  21           HA       ASN  21  -1.488  -1.156   3.097
  116   1HB   ASN  21          2HB       ASN  21  -4.093  -0.410   2.899
  117   2HB   ASN  21          1HB       ASN  21  -3.935  -1.356   1.418
  118   1HD2  ASN  21          1HD2      ASN  21  -3.561  -3.659   1.621
  119   2HD2  ASN  21          2HD2      ASN  21  -3.661  -4.459   3.115
  120    H    CYS  22           H        CYS  22  -0.841  -2.922   1.700
  121    HA   CYS  22           HA       CYS  22   0.108  -2.015  -0.950
  122   1HB   CYS  22          2HB       CYS  22   0.562  -4.343   0.899
  123   2HB   CYS  22          1HB       CYS  22   1.099  -4.442  -0.779
  124    H    SER  23           H        SER  23  -0.765  -2.660  -2.879
  125    HA   SER  23           HA       SER  23  -3.234  -4.300  -2.836
  126   1HB   SER  23          2HB       SER  23  -2.586  -2.020  -4.090
  127   2HB   SER  23          1HB       SER  23  -2.022  -3.153  -5.313
  128    HG   SER  23           HG       SER  23  -4.600  -2.630  -4.386
  129    HA   PRO  24           HA       PRO  24  -1.112  -7.894  -4.293
  130   1HB   PRO  24          2HB       PRO  24  -3.227  -9.237  -5.390
  131   2HB   PRO  24          1HB       PRO  24  -2.974  -9.099  -3.638
  132   1HG   PRO  24          2HG       PRO  24  -4.833  -7.600  -5.405
  133   2HG   PRO  24          1HG       PRO  24  -5.063  -8.168  -3.745
  134   1HD   PRO  24          2HD       PRO  24  -4.477  -5.575  -4.418
  135   2HD   PRO  24          1HD       PRO  24  -4.104  -6.308  -2.843
  136    H    THR  25           H        THR  25  -3.289  -6.179  -6.519
  137    HA   THR  25           HA       THR  25  -1.984  -7.318  -8.907
  138    HB   THR  25           HB       THR  25  -4.054  -5.116  -8.643
  139    HG1  THR  25           1HG      THR  25  -4.317  -7.938  -8.735
  140   1HG2  THR  25          1HG2      THR  25  -4.666  -5.742 -10.907
  141   2HG2  THR  25          2HG2      THR  25  -3.511  -7.076 -10.890
  142   3HG2  THR  25          3HG2      THR  25  -2.934  -5.409 -10.865
  143    H    TRP  26           H        TRP  26  -2.104  -4.222  -7.167
  144    HA   TRP  26           HA       TRP  26  -0.406  -2.849  -9.138
  145   1HB   TRP  26          2HB       TRP  26  -1.245  -2.046  -6.335
  146   2HB   TRP  26          1HB       TRP  26  -0.643  -0.979  -7.592
  147    HD1  TRP  26           HD       TRP  26  -2.494  -2.675  -9.844
  148    HE1  TRP  26           1HE      TRP  26  -4.971  -1.987 -10.007
  149    HE3  TRP  26           3HE      TRP  26  -3.047  -0.292  -5.360
  150    HZ2  TRP  26           2HZ      TRP  26  -6.928  -0.605  -8.448
  151    HZ3  TRP  26           3HZ      TRP  26  -5.226   0.702  -4.726
  152    HH2  TRP  26           HH       TRP  26  -7.165   0.549  -6.263
  153    H    LYS  27           H        LYS  27  -0.006  -4.508  -6.063
  154    HA   LYS  27           HA       LYS  27   1.926  -5.282  -4.977
  155   1HB   LYS  27          2HB       LYS  27   2.499  -5.346  -7.610
  156   2HB   LYS  27          1HB       LYS  27   3.705  -4.169  -7.088
  157   1HG   LYS  27          2HG       LYS  27   4.743  -6.321  -6.904
  158   2HG   LYS  27          1HG       LYS  27   4.352  -5.815  -5.260
  159   1HD   LYS  27          2HD       LYS  27   2.421  -7.231  -5.185
  160   2HD   LYS  27          1HD       LYS  27   2.511  -7.552  -6.918
  161   1HE   LYS  27          2HE       LYS  27   4.820  -8.581  -6.460
  162   2HE   LYS  27          1HE       LYS  27   4.371  -8.543  -4.744
  163   1HZ   LYS  27          1HZ       LYS  27   2.936  -9.898  -6.961
  164   2HZ   LYS  27          2HZ       LYS  27   2.238  -9.641  -5.433
  165   3HZ   LYS  27          3HZ       LYS  27   3.623 -10.613  -5.586
  166    H    TRP  28           H        TRP  28   1.080  -2.142  -5.162
  167    HA   TRP  28           HA       TRP  28   3.481  -1.314  -3.587
  168   1HB   TRP  28          2HB       TRP  28   3.287   0.927  -4.607
  169   2HB   TRP  28          1HB       TRP  28   3.574  -0.316  -5.813
  170    HD1  TRP  28           HD       TRP  28   0.306   1.084  -4.220
  171    HE1  TRP  28           1HE      TRP  28  -1.305   1.673  -6.145
  172    HE3  TRP  28           3HE      TRP  28   3.209  -0.175  -8.222
  173    HZ2  TRP  28           2HZ      TRP  28  -1.355   1.618  -9.000
  174    HZ3  TRP  28           3HZ      TRP  28   2.361   0.106 -10.534
  175    HH2  TRP  28           HH       TRP  28   0.081   1.000 -10.927
  176    H    CYS  29           H        CYS  29   3.004   0.595  -2.154
  177    HA   CYS  29           HA       CYS  29   0.661   0.029  -0.521
  178   1HB   CYS  29          2HB       CYS  29   3.184   0.963  -0.134
  179   2HB   CYS  29          1HB       CYS  29   2.287   2.479  -0.113
  180    H    VAL  30           H        VAL  30  -1.297   1.035  -0.633
  181    HA   VAL  30           HA       VAL  30  -1.509   3.691  -2.019
  182    HB   VAL  30           HB       VAL  30  -3.611   2.884  -3.008
  183   1HG1  VAL  30          1HG1      VAL  30  -1.257   2.320  -3.983
  184   2HG1  VAL  30          2HG1      VAL  30  -2.676   1.518  -4.655
  185   3HG1  VAL  30          3HG1      VAL  30  -1.644   0.667  -3.506
  186   1HG2  VAL  30          1HG2      VAL  30  -3.155   0.657  -1.101
  187   2HG2  VAL  30          2HG2      VAL  30  -3.759   0.185  -2.687
  188   3HG2  VAL  30          3HG2      VAL  30  -4.667   1.332  -1.704
  189    H    TYR  31           H        TYR  31  -3.654   4.784  -1.356
  190    HA   TYR  31           HA       TYR  31  -3.833   5.172   1.432
  191   1HB   TYR  31          2HB       TYR  31  -6.109   6.142   0.838
  192   2HB   TYR  31          1HB       TYR  31  -4.779   6.739  -0.151
  193    HD1  TYR  31           1HD      TYR  31  -4.863   6.548  -2.493
  194    HD2  TYR  31           2HD      TYR  31  -7.460   4.117  -0.086
  195    HE1  TYR  31           1HE      TYR  31  -6.007   5.744  -4.540
  196    HE2  TYR  31           2HE      TYR  31  -8.604   3.313  -2.131
  197    HH   TYR  31           HH       TYR  31  -7.503   3.291  -4.962
  198    H    ALA  32           H        ALA  32  -5.440   4.450   2.995
  199    HA   ALA  32           HA       ALA  32  -6.598   1.754   2.354
  200   1HB   ALA  32          1HB       ALA  32  -6.359   2.018   5.124
  201   2HB   ALA  32          2HB       ALA  32  -4.931   2.840   4.497
  202   3HB   ALA  32          3HB       ALA  32  -5.239   1.158   4.067
  203    H    ARG  33           H        ARG  33  -8.804   1.729   2.345
  204    HA   ARG  33           HA       ARG  33 -10.279   3.890   3.806
  205   1HB   ARG  33          2HB       ARG  33 -10.422   2.671   1.183
  206   2HB   ARG  33          1HB       ARG  33 -11.966   2.490   2.017
  207   1HG   ARG  33          2HG       ARG  33 -10.610   5.152   2.141
  208   2HG   ARG  33          1HG       ARG  33 -11.403   4.696   0.634
  209   1HD   ARG  33          2HD       ARG  33 -13.139   4.025   2.839
  210   2HD   ARG  33          1HD       ARG  33 -12.644   5.723   2.975
  211    HE   ARG  33           HE       ARG  33 -13.235   5.745   0.401
  212   1HH1  ARG  33          1HH2      ARG  33 -14.473   3.072   0.307
  213   2HH1  ARG  33          2HH2      ARG  33 -16.140   3.398   0.644
  214   1HH2  ARG  33          1HH1      ARG  33 -15.531   6.558   1.956
  215   2HH2  ARG  33          2HH1      ARG  33 -16.740   5.377   1.580
  216    HA   PRO  34           HA       PRO  34 -11.545   0.546   6.492
  217   1HB   PRO  34          2HB       PRO  34 -13.185   2.045   8.090
  218   2HB   PRO  34          1HB       PRO  34 -11.415   2.057   8.233
  219   1HG   PRO  34          2HG       PRO  34 -13.220   4.024   6.914
  220   2HG   PRO  34          1HG       PRO  34 -11.759   4.299   7.877
  221   1HD   PRO  34          2HD       PRO  34 -11.808   4.406   5.153
  222   2HD   PRO  34          1HD       PRO  34 -10.364   3.970   6.093
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  11.642   3.932   7.603
    2   2H    GLY   1          2HT       GLY   1  10.204   3.055   7.371
    3   3H    GLY   1          3HT       GLY   1  10.152   4.621   8.032
    4   1HA   GLY   1          2HA       GLY   1  10.988   5.543   5.950
    5   2HA   GLY   1          1HA       GLY   1  10.982   3.917   5.269
    6    H    CYS   2           H        CYS   2   9.168   6.711   5.550
    7    HA   CYS   2           HA       CYS   2   6.493   5.529   5.672
    8   1HB   CYS   2          2HB       CYS   2   6.727   7.749   6.476
    9   2HB   CYS   2          1HB       CYS   2   7.691   8.240   5.084
   10    H    GLY   3           H        GLY   3   5.258   4.859   3.932
   11   1HA   GLY   3          2HA       GLY   3   6.533   4.758   1.278
   12   2HA   GLY   3          1HA       GLY   3   5.014   3.981   1.731
   13    H    GLY   4           H        GLY   4   3.355   4.825   0.579
   14   1HA   GLY   4          2HA       GLY   4   2.474   7.488   0.733
   15   2HA   GLY   4          1HA       GLY   4   3.475   7.397  -0.717
   16    H    LEU   5           H        LEU   5   2.015   7.379  -2.382
   17    HA   LEU   5           HA       LEU   5  -0.412   5.665  -2.175
   18   1HB   LEU   5          2HB       LEU   5   0.312   8.202  -3.323
   19   2HB   LEU   5          1HB       LEU   5  -0.309   7.146  -4.594
   20    HG   LEU   5           HG       LEU   5  -1.720   7.426  -1.943
   21   1HD1  LEU   5          1HD1      LEU   5  -1.631   9.284  -4.262
   22   2HD1  LEU   5          2HD1      LEU   5  -1.976   9.615  -2.564
   23   3HD1  LEU   5          3HD1      LEU   5  -3.228   8.931  -3.600
   24   1HD2  LEU   5          1HD2      LEU   5  -2.582   6.580  -4.729
   25   2HD2  LEU   5          2HD2      LEU   5  -3.647   6.671  -3.326
   26   3HD2  LEU   5          3HD2      LEU   5  -2.321   5.509  -3.353
   27    H    MET   6           H        MET   6   2.736   5.467  -3.450
   28    HA   MET   6           HA       MET   6   1.957   3.126  -5.092
   29   1HB   MET   6          2HB       MET   6   2.025   5.434  -6.366
   30   2HB   MET   6          1HB       MET   6   3.773   5.204  -6.290
   31   1HG   MET   6          2HG       MET   6   3.706   3.260  -7.596
   32   2HG   MET   6          1HG       MET   6   2.006   2.959  -7.234
   33   1HE   MET   6          1HE       MET   6   0.084   5.273  -8.219
   34   2HE   MET   6          2HE       MET   6   0.257   3.520  -8.224
   35   3HE   MET   6          3HE       MET   6   0.014   4.378  -9.744
   36    H    ALA   7           H        ALA   7   3.459   3.554  -2.561
   37    HA   ALA   7           HA       ALA   7   6.307   3.265  -3.089
   38   1HB   ALA   7          1HB       ALA   7   6.356   2.758  -0.672
   39   2HB   ALA   7          2HB       ALA   7   4.604   2.558  -0.672
   40   3HB   ALA   7          3HB       ALA   7   5.310   4.142  -0.986
   41    H    GLY   8           H        GLY   8   7.451   1.357  -3.429
   42   1HA   GLY   8          2HA       GLY   8   6.135  -0.997  -4.309
   43   2HA   GLY   8          1HA       GLY   8   7.835  -0.922  -3.845
   44    H    CYS   9           H        CYS   9   5.010  -2.448  -3.130
   45    HA   CYS   9           HA       CYS   9   5.442  -2.630  -0.197
   46   1HB   CYS   9          2HB       CYS   9   3.175  -2.322  -0.884
   47   2HB   CYS   9          1HB       CYS   9   3.322  -3.526  -2.163
   48    H    ASP  10           H        ASP  10   4.507  -5.191  -2.490
   49    HA   ASP  10           HA       ASP  10   5.262  -7.413  -2.717
   50   1HB   ASP  10          2HB       ASP  10   7.698  -5.669  -2.460
   51   2HB   ASP  10          1HB       ASP  10   7.894  -7.415  -2.602
   52    H    GLY  11           H        GLY  11   4.151  -7.788  -0.516
   53   1HA   GLY  11          2HA       GLY  11   5.165  -9.607   1.105
   54   2HA   GLY  11          1HA       GLY  11   6.080  -8.217   1.697
   55    H    LYS  12           H        LYS  12   3.400  -9.998   2.322
   56    HA   LYS  12           HA       LYS  12   1.340  -8.094   2.868
   57   1HB   LYS  12          2HB       LYS  12   2.104 -10.814   3.937
   58   2HB   LYS  12          1HB       LYS  12   0.643  -9.986   4.476
   59   1HG   LYS  12          2HG       LYS  12  -0.448 -10.400   2.531
   60   2HG   LYS  12          1HG       LYS  12   0.963  -9.989   1.555
   61   1HD   LYS  12          2HD       LYS  12   1.027 -12.540   3.120
   62   2HD   LYS  12          1HD       LYS  12   0.045 -12.487   1.656
   63   1HE   LYS  12          2HE       LYS  12   1.972 -12.937   0.526
   64   2HE   LYS  12          1HE       LYS  12   2.453 -11.270   0.896
   65   1HZ   LYS  12          1HZ       LYS  12   2.900 -13.643   2.634
   66   2HZ   LYS  12          2HZ       LYS  12   3.305 -12.043   3.039
   67   3HZ   LYS  12          3HZ       LYS  12   4.093 -12.821   1.751
   68    H    SER  13           H        SER  13   4.369  -8.609   4.464
   69    HA   SER  13           HA       SER  13   3.398  -7.295   6.973
   70   1HB   SER  13          2HB       SER  13   4.709  -9.536   6.847
   71   2HB   SER  13          1HB       SER  13   6.109  -8.533   6.472
   72    HG   SER  13           HG       SER  13   6.215  -8.336   8.568
   73    H    THR  14           H        THR  14   3.997  -5.918   4.313
   74    HA   THR  14           HA       THR  14   6.495  -4.482   4.561
   75    HB   THR  14           HB       THR  14   5.094  -4.866   2.487
   76    HG1  THR  14           1HG      THR  14   6.526  -3.335   2.123
   77   1HG2  THR  14          1HG2      THR  14   2.878  -4.427   3.186
   78   2HG2  THR  14          2HG2      THR  14   3.293  -3.042   2.174
   79   3HG2  THR  14          3HG2      THR  14   3.325  -2.893   3.931
   80    H    PHE  15           H        PHE  15   6.195  -1.876   4.542
   81    HA   PHE  15           HA       PHE  15   4.404  -1.098   6.810
   82   1HB   PHE  15          2HB       PHE  15   6.392   0.189   7.711
   83   2HB   PHE  15          1HB       PHE  15   6.573  -1.560   7.772
   84    HD1  PHE  15           1HD      PHE  15   7.687   1.546   6.130
   85    HD2  PHE  15           2HD      PHE  15   8.131  -2.725   6.274
   86    HE1  PHE  15           1HE      PHE  15   9.766   1.715   4.787
   87    HE2  PHE  15           2HE      PHE  15  10.208  -2.553   4.930
   88    HZ   PHE  15           HZ       PHE  15  11.025  -0.335   4.186
   89    H    CYS  16           H        CYS  16   3.671   1.052   6.727
   90    HA   CYS  16           HA       CYS  16   4.536   2.691   4.369
   91   1HB   CYS  16          2HB       CYS  16   2.174   1.287   4.586
   92   2HB   CYS  16          1HB       CYS  16   1.706   2.878   5.185
   93    H    CYS  17           H        CYS  17   2.716   4.840   4.974
   94    HA   CYS  17           HA       CYS  17   4.186   6.142   7.144
   95   1HB   CYS  17          2HB       CYS  17   2.781   6.867   4.822
   96   2HB   CYS  17          1HB       CYS  17   1.835   7.537   6.150
   97    H    SER  18           H        SER  18   0.660   5.902   6.615
   98    HA   SER  18           HA       SER  18   0.123   4.785   9.251
   99   1HB   SER  18          2HB       SER  18  -1.023   6.945  10.025
  100   2HB   SER  18          1HB       SER  18   0.739   6.973  10.007
  101    HG   SER  18           HG       SER  18  -1.068   8.412   8.542
  102    H    GLY  19           H        GLY  19  -1.251   6.898   6.721
  103   1HA   GLY  19          2HA       GLY  19  -3.804   5.369   6.872
  104   2HA   GLY  19          1HA       GLY  19  -3.616   6.961   6.136
  105    H    TYR  20           H        TYR  20  -1.225   4.481   5.488
  106    HA   TYR  20           HA       TYR  20  -2.381   4.149   2.737
  107   1HB   TYR  20          2HB       TYR  20   0.459   4.524   3.726
  108   2HB   TYR  20          1HB       TYR  20   0.099   3.933   2.105
  109    HD1  TYR  20           1HD      TYR  20  -1.744   5.369   0.802
  110    HD2  TYR  20           2HD      TYR  20   0.709   6.836   4.010
  111    HE1  TYR  20           1HE      TYR  20  -2.129   7.692   0.032
  112    HE2  TYR  20           2HE      TYR  20   0.324   9.162   3.236
  113    HH   TYR  20           HH       TYR  20  -1.966  10.179   1.570
  114    H    ASN  21           H        ASN  21  -2.743   2.031   2.178
  115    HA   ASN  21           HA       ASN  21  -1.482  -0.122   3.853
  116   1HB   ASN  21          2HB       ASN  21  -4.100   0.515   3.644
  117   2HB   ASN  21          1HB       ASN  21  -3.967  -0.582   2.270
  118   1HD2  ASN  21          1HD2      ASN  21  -4.253  -2.757   2.793
  119   2HD2  ASN  21          2HD2      ASN  21  -3.995  -3.430   4.328
  120    H    CYS  22           H        CYS  22  -1.112  -2.190   2.638
  121    HA   CYS  22           HA       CYS  22   0.017  -1.644  -0.044
  122   1HB   CYS  22          2HB       CYS  22   1.372  -2.850   1.521
  123   2HB   CYS  22          1HB       CYS  22   0.051  -3.943   1.927
  124    H    SER  23           H        SER  23  -0.851  -2.425  -1.963
  125    HA   SER  23           HA       SER  23  -3.512  -3.741  -1.838
  126   1HB   SER  23          2HB       SER  23  -2.692  -1.692  -3.299
  127   2HB   SER  23          1HB       SER  23  -2.074  -2.955  -4.359
  128    HG   SER  23           HG       SER  23  -4.057  -3.513  -4.854
  129    HA   PRO  24           HA       PRO  24  -1.753  -7.686  -2.777
  130   1HB   PRO  24          2HB       PRO  24  -4.011  -8.946  -3.668
  131   2HB   PRO  24          1HB       PRO  24  -3.708  -8.599  -1.955
  132   1HG   PRO  24          2HG       PRO  24  -5.447  -7.171  -3.897
  133   2HG   PRO  24          1HG       PRO  24  -5.701  -7.493  -2.176
  134   1HD   PRO  24          2HD       PRO  24  -4.881  -5.081  -3.179
  135   2HD   PRO  24          1HD       PRO  24  -4.541  -5.640  -1.528
  136    H    THR  25           H        THR  25  -3.428  -5.780  -5.216
  137    HA   THR  25           HA       THR  25  -2.286  -7.502  -7.384
  138    HB   THR  25           HB       THR  25  -4.469  -5.396  -7.423
  139    HG1  THR  25           1HG      THR  25  -4.671  -8.221  -7.542
  140   1HG2  THR  25          1HG2      THR  25  -3.378  -7.299  -9.494
  141   2HG2  THR  25          2HG2      THR  25  -3.607  -5.555  -9.625
  142   3HG2  THR  25          3HG2      THR  25  -5.005  -6.630  -9.617
  143    H    TRP  26           H        TRP  26  -2.540  -4.121  -6.291
  144    HA   TRP  26           HA       TRP  26  -1.018  -3.008  -8.500
  145   1HB   TRP  26          2HB       TRP  26  -1.545  -1.929  -5.714
  146   2HB   TRP  26          1HB       TRP  26  -1.072  -0.986  -7.119
  147    HD1  TRP  26           HD       TRP  26  -3.109  -2.929  -8.989
  148    HE1  TRP  26           1HE      TRP  26  -5.592  -2.272  -8.994
  149    HE3  TRP  26           3HE      TRP  26  -3.272  -0.031  -4.784
  150    HZ2  TRP  26           2HZ      TRP  26  -7.415  -0.707  -7.441
  151    HZ3  TRP  26           3HZ      TRP  26  -5.396   1.031  -4.074
  152    HH2  TRP  26           HH       TRP  26  -7.466   0.697  -5.396
  153    H    LYS  27           H        LYS  27  -0.130  -4.583  -5.525
  154    HA   LYS  27           HA       LYS  27   1.970  -5.164  -4.659
  155   1HB   LYS  27          2HB       LYS  27   2.360  -4.555  -7.516
  156   2HB   LYS  27          1HB       LYS  27   3.828  -4.417  -6.550
  157   1HG   LYS  27          2HG       LYS  27   1.990  -6.810  -6.364
  158   2HG   LYS  27          1HG       LYS  27   3.327  -6.733  -7.512
  159   1HD   LYS  27          2HD       LYS  27   4.900  -7.015  -5.895
  160   2HD   LYS  27          1HD       LYS  27   4.049  -5.972  -4.755
  161   1HE   LYS  27          2HE       LYS  27   3.615  -7.945  -3.665
  162   2HE   LYS  27          1HE       LYS  27   2.340  -8.121  -4.886
  163   1HZ   LYS  27          1HZ       LYS  27   3.513 -10.020  -5.289
  164   2HZ   LYS  27          2HZ       LYS  27   4.994  -9.362  -4.777
  165   3HZ   LYS  27          3HZ       LYS  27   4.370  -8.970  -6.311
  166    H    TRP  28           H        TRP  28   0.873  -2.156  -4.667
  167    HA   TRP  28           HA       TRP  28   3.341  -1.134  -3.365
  168   1HB   TRP  28          2HB       TRP  28   3.145   1.011  -4.546
  169   2HB   TRP  28          1HB       TRP  28   3.355  -0.308  -5.685
  170    HD1  TRP  28           HD       TRP  28   0.221   1.325  -4.047
  171    HE1  TRP  28           1HE      TRP  28  -1.475   1.807  -5.929
  172    HE3  TRP  28           3HE      TRP  28   2.838  -0.397  -8.070
  173    HZ2  TRP  28           2HZ      TRP  28  -1.691   1.513  -8.757
  174    HZ3  TRP  28           3HZ      TRP  28   1.873  -0.278 -10.348
  175    HH2  TRP  28           HH       TRP  28  -0.390   0.673 -10.696
  176    H    CYS  29           H        CYS  29   2.883   0.771  -1.959
  177    HA   CYS  29           HA       CYS  29   0.523   0.314  -0.341
  178   1HB   CYS  29          2HB       CYS  29   3.011   1.325   0.046
  179   2HB   CYS  29          1HB       CYS  29   2.093   2.824  -0.074
  180    H    VAL  30           H        VAL  30  -1.384   1.459  -0.294
  181    HA   VAL  30           HA       VAL  30  -1.686   3.886  -2.026
  182    HB   VAL  30           HB       VAL  30  -3.977   2.856  -2.604
  183   1HG1  VAL  30          1HG1      VAL  30  -1.882   1.050  -3.693
  184   2HG1  VAL  30          2HG1      VAL  30  -1.644   2.783  -3.924
  185   3HG1  VAL  30          3HG1      VAL  30  -3.102   2.002  -4.537
  186   1HG2  VAL  30          1HG2      VAL  30  -2.654   0.243  -1.875
  187   2HG2  VAL  30          2HG2      VAL  30  -4.352   0.554  -2.237
  188   3HG2  VAL  30          3HG2      VAL  30  -3.661   1.103  -0.710
  189    H    TYR  31           H        TYR  31  -4.114   4.739  -1.481
  190    HA   TYR  31           HA       TYR  31  -4.129   5.616   1.227
  191   1HB   TYR  31          2HB       TYR  31  -5.287   6.625  -0.766
  192   2HB   TYR  31          1HB       TYR  31  -6.463   5.314  -0.696
  193    HD1  TYR  31           1HD      TYR  31  -8.488   5.994   0.220
  194    HD2  TYR  31           2HD      TYR  31  -4.826   7.535   1.862
  195    HE1  TYR  31           1HE      TYR  31  -9.779   7.235   1.936
  196    HE2  TYR  31           2HE      TYR  31  -6.117   8.775   3.576
  197    HH   TYR  31           HH       TYR  31  -9.075   8.138   4.465
  198    H    ALA  32           H        ALA  32  -5.510   4.971   3.008
  199    HA   ALA  32           HA       ALA  32  -6.025   2.062   3.107
  200   1HB   ALA  32          1HB       ALA  32  -4.914   2.963   4.995
  201   2HB   ALA  32          2HB       ALA  32  -6.583   2.788   5.541
  202   3HB   ALA  32          3HB       ALA  32  -5.977   4.371   5.052
  203    H    ARG  33           H        ARG  33  -8.008   1.255   2.622
  204    HA   ARG  33           HA       ARG  33 -10.459   2.678   3.467
  205   1HB   ARG  33          2HB       ARG  33 -11.343   2.672   1.141
  206   2HB   ARG  33          1HB       ARG  33  -9.885   3.652   1.278
  207   1HG   ARG  33          2HG       ARG  33  -8.802   1.219   0.685
  208   2HG   ARG  33          1HG       ARG  33 -10.328   1.120  -0.193
  209   1HD   ARG  33          2HD       ARG  33  -9.674   2.681  -1.727
  210   2HD   ARG  33          1HD       ARG  33  -8.915   3.706  -0.493
  211    HE   ARG  33           HE       ARG  33  -6.882   2.632  -1.005
  212   1HH1  ARG  33          1HH2      ARG  33  -8.639   1.401  -3.362
  213   2HH1  ARG  33          2HH2      ARG  33  -8.088  -0.239  -3.274
  214   1HH2  ARG  33          1HH1      ARG  33  -6.554   0.164  -0.181
  215   2HH2  ARG  33          2HH1      ARG  33  -6.902  -0.942  -1.469
  216    HA   PRO  34           HA       PRO  34 -11.626  -1.557   4.006
  217   1HB   PRO  34          2HB       PRO  34 -14.319  -1.211   4.351
  218   2HB   PRO  34          1HB       PRO  34 -13.122  -0.803   5.596
  219   1HG   PRO  34          2HG       PRO  34 -14.549   0.980   3.689
  220   2HG   PRO  34          1HG       PRO  34 -14.129   1.249   5.387
  221   1HD   PRO  34          2HD       PRO  34 -12.736   2.321   3.301
  222   2HD   PRO  34          1HD       PRO  34 -12.015   1.964   4.886
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1  10.487   6.316   6.480
    2   2H    GLY   1          2HT       GLY   1  11.908   5.410   6.689
    3   3H    GLY   1          3HT       GLY   1  10.634   5.263   7.803
    4   1HA   GLY   1          2HA       GLY   1  10.746   4.299   5.006
    5   2HA   GLY   1          1HA       GLY   1  10.483   3.355   6.473
    6    H    CYS   2           H        CYS   2   9.021   5.882   4.441
    7    HA   CYS   2           HA       CYS   2   6.322   5.005   5.429
    8   1HB   CYS   2          2HB       CYS   2   6.697   7.200   6.234
    9   2HB   CYS   2          1HB       CYS   2   7.526   7.692   4.759
   10    H    GLY   3           H        GLY   3   4.682   4.821   3.809
   11   1HA   GLY   3          2HA       GLY   3   5.653   4.233   1.119
   12   2HA   GLY   3          1HA       GLY   3   3.983   4.088   1.672
   13    H    GLY   4           H        GLY   4   3.203   5.173  -0.229
   14   1HA   GLY   4          2HA       GLY   4   2.783   7.965   0.023
   15   2HA   GLY   4          1HA       GLY   4   4.120   7.740  -1.103
   16    H    LEU   5           H        LEU   5   1.148   5.825  -0.602
   17    HA   LEU   5           HA       LEU   5  -0.649   5.350  -2.045
   18   1HB   LEU   5          2HB       LEU   5   0.125   7.966  -2.570
   19   2HB   LEU   5          1HB       LEU   5   0.101   7.214  -4.167
   20    HG   LEU   5           HG       LEU   5  -2.180   6.512  -2.423
   21   1HD1  LEU   5          1HD1      LEU   5  -3.318   8.618  -2.636
   22   2HD1  LEU   5          2HD1      LEU   5  -2.026   9.281  -3.638
   23   3HD1  LEU   5          3HD1      LEU   5  -1.739   8.957  -1.928
   24   1HD2  LEU   5          1HD2      LEU   5  -3.141   6.127  -4.440
   25   2HD2  LEU   5          2HD2      LEU   5  -1.521   6.330  -5.104
   26   3HD2  LEU   5          3HD2      LEU   5  -2.638   7.694  -5.073
   27    H    MET   6           H        MET   6   2.612   5.012  -2.973
   28    HA   MET   6           HA       MET   6   1.883   2.943  -4.954
   29   1HB   MET   6          2HB       MET   6   2.940   5.611  -5.562
   30   2HB   MET   6          1HB       MET   6   3.943   4.321  -6.226
   31   1HG   MET   6          2HG       MET   6   2.247   3.521  -7.596
   32   2HG   MET   6          1HG       MET   6   0.970   4.144  -6.554
   33   1HE   MET   6          1HE       MET   6   0.486   7.727  -7.379
   34   2HE   MET   6          2HE       MET   6   1.376   7.079  -6.004
   35   3HE   MET   6          3HE       MET   6  -0.060   6.242  -6.587
   36    H    ALA   7           H        ALA   7   3.243   3.221  -2.223
   37    HA   ALA   7           HA       ALA   7   6.066   2.782  -2.479
   38   1HB   ALA   7          1HB       ALA   7   3.928   2.527  -0.453
   39   2HB   ALA   7          2HB       ALA   7   5.540   3.224  -0.306
   40   3HB   ALA   7          3HB       ALA   7   5.321   1.479  -0.183
   41    H    GLY   8           H        GLY   8   6.946   1.108  -3.615
   42   1HA   GLY   8          2HA       GLY   8   5.649  -1.258  -4.436
   43   2HA   GLY   8          1HA       GLY   8   7.400  -1.085  -4.311
   44    H    CYS   9           H        CYS   9   4.888  -2.913  -3.235
   45    HA   CYS   9           HA       CYS   9   5.662  -3.270  -0.437
   46   1HB   CYS   9          2HB       CYS   9   3.774  -4.558  -2.404
   47   2HB   CYS   9          1HB       CYS   9   4.065  -5.310  -0.837
   48    H    ASP  10           H        ASP  10   5.460  -5.766  -2.978
   49    HA   ASP  10           HA       ASP  10   6.812  -7.658  -3.379
   50   1HB   ASP  10          2HB       ASP  10   8.155  -5.412  -3.918
   51   2HB   ASP  10          1HB       ASP  10   9.171  -5.980  -2.594
   52    H    GLY  11           H        GLY  11   5.701  -7.983  -0.969
   53   1HA   GLY  11          2HA       GLY  11   7.030  -9.783   0.520
   54   2HA   GLY  11          1HA       GLY  11   7.757  -8.286   1.120
   55    H    LYS  12           H        LYS  12   5.418 -10.428   1.857
   56    HA   LYS  12           HA       LYS  12   3.083  -8.870   2.425
   57   1HB   LYS  12          2HB       LYS  12   4.317 -11.359   3.625
   58   2HB   LYS  12          1HB       LYS  12   2.715 -10.777   4.075
   59   1HG   LYS  12          2HG       LYS  12   1.780 -11.486   2.133
   60   2HG   LYS  12          1HG       LYS  12   3.153 -10.938   1.170
   61   1HD   LYS  12          2HD       LYS  12   3.537 -13.311   2.956
   62   2HD   LYS  12          1HD       LYS  12   2.637 -13.530   1.455
   63   1HE   LYS  12          2HE       LYS  12   4.702 -13.808   0.509
   64   2HE   LYS  12          1HE       LYS  12   4.812 -12.040   0.613
   65   1HZ   LYS  12          1HZ       LYS  12   5.597 -13.923   2.780
   66   2HZ   LYS  12          2HZ       LYS  12   5.762 -12.231   2.808
   67   3HZ   LYS  12          3HZ       LYS  12   6.685 -13.159   1.727
   68    H    SER  13           H        SER  13   6.191  -8.870   3.929
   69    HA   SER  13           HA       SER  13   5.172  -7.842   6.515
   70   1HB   SER  13          2HB       SER  13   7.534  -9.176   5.431
   71   2HB   SER  13          1HB       SER  13   7.968  -7.819   6.467
   72    HG   SER  13           HG       SER  13   6.750 -10.223   7.069
   73    H    THR  14           H        THR  14   5.389  -6.371   3.660
   74    HA   THR  14           HA       THR  14   7.199  -4.154   4.110
   75    HB   THR  14           HB       THR  14   6.311  -5.030   1.902
   76    HG1  THR  14           1HG      THR  14   7.016  -3.134   1.386
   77   1HG2  THR  14          1HG2      THR  14   4.108  -4.694   1.238
   78   2HG2  THR  14          2HG2      THR  14   3.855  -3.374   2.379
   79   3HG2  THR  14          3HG2      THR  14   3.889  -5.041   2.952
   80    H    PHE  15           H        PHE  15   6.698  -2.040   4.856
   81    HA   PHE  15           HA       PHE  15   4.003  -1.710   6.140
   82   1HB   PHE  15          2HB       PHE  15   6.027  -2.222   7.623
   83   2HB   PHE  15          1HB       PHE  15   6.644  -0.636   7.159
   84    HD1  PHE  15           1HD      PHE  15   3.534  -2.261   8.490
   85    HD2  PHE  15           2HD      PHE  15   6.025   1.239   8.411
   86    HE1  PHE  15           1HE      PHE  15   2.091  -1.195  10.202
   87    HE2  PHE  15           2HE      PHE  15   4.582   2.303  10.123
   88    HZ   PHE  15           HZ       PHE  15   2.616   1.087  11.019
   89    H    CYS  16           H        CYS  16   2.997   0.234   5.751
   90    HA   CYS  16           HA       CYS  16   4.382   2.180   3.958
   91   1HB   CYS  16          2HB       CYS  16   1.465   1.813   4.730
   92   2HB   CYS  16          1HB       CYS  16   2.068   2.876   3.458
   93    H    CYS  17           H        CYS  17   2.559   4.362   4.669
   94    HA   CYS  17           HA       CYS  17   3.995   5.416   6.988
   95   1HB   CYS  17          2HB       CYS  17   2.609   6.382   4.729
   96   2HB   CYS  17          1HB       CYS  17   1.702   6.964   6.126
   97    H    SER  18           H        SER  18   0.466   5.450   6.436
   98    HA   SER  18           HA       SER  18  -0.129   3.998   8.902
   99   1HB   SER  18          2HB       SER  18   0.323   6.875   8.887
  100   2HB   SER  18          1HB       SER  18  -1.295   6.486   9.463
  101    HG   SER  18           HG       SER  18   1.128   6.093  10.640
  102    H    GLY  19           H        GLY  19  -1.365   6.391   6.562
  103   1HA   GLY  19          2HA       GLY  19  -4.031   5.068   6.658
  104   2HA   GLY  19          1HA       GLY  19  -3.716   6.670   5.989
  105    H    TYR  20           H        TYR  20  -1.604   3.955   5.294
  106    HA   TYR  20           HA       TYR  20  -2.675   3.883   2.487
  107   1HB   TYR  20          2HB       TYR  20   0.142   3.900   3.610
  108   2HB   TYR  20          1HB       TYR  20  -0.200   3.400   1.956
  109    HD1  TYR  20           1HD      TYR  20   0.966   6.064   3.722
  110    HD2  TYR  20           2HD      TYR  20  -2.122   5.159   0.879
  111    HE1  TYR  20           1HE      TYR  20   0.927   8.438   3.009
  112    HE2  TYR  20           2HE      TYR  20  -2.164   7.532   0.167
  113    HH   TYR  20           HH       TYR  20  -1.160   9.955   1.784
  114    H    ASN  21           H        ASN  21  -3.193   1.826   1.787
  115    HA   ASN  21           HA       ASN  21  -2.327  -0.498   3.475
  116   1HB   ASN  21          2HB       ASN  21  -4.779   0.103   3.230
  117   2HB   ASN  21          1HB       ASN  21  -4.634  -0.275   1.514
  118   1HD2  ASN  21          1HD2      ASN  21  -5.070  -2.426   0.977
  119   2HD2  ASN  21          2HD2      ASN  21  -5.003  -3.730   2.061
  120    H    CYS  22           H        CYS  22  -1.502  -2.381   2.378
  121    HA   CYS  22           HA       CYS  22  -0.216  -1.792  -0.215
  122   1HB   CYS  22          2HB       CYS  22   1.066  -2.809   1.592
  123   2HB   CYS  22          1HB       CYS  22  -0.096  -4.129   1.714
  124    H    SER  23           H        SER  23  -0.819  -2.667  -2.157
  125    HA   SER  23           HA       SER  23  -3.213  -4.456  -2.200
  126   1HB   SER  23          2HB       SER  23  -2.080  -2.278  -3.850
  127   2HB   SER  23          1HB       SER  23  -2.736  -3.624  -4.777
  128    HG   SER  23           HG       SER  23  -4.634  -2.885  -4.296
  129    HA   PRO  24           HA       PRO  24  -0.387  -7.694  -3.350
  130   1HB   PRO  24          2HB       PRO  24  -2.261  -9.602  -3.914
  131   2HB   PRO  24          1HB       PRO  24  -1.813  -9.143  -2.259
  132   1HG   PRO  24          2HG       PRO  24  -4.181  -8.339  -3.870
  133   2HG   PRO  24          1HG       PRO  24  -4.064  -8.711  -2.144
  134   1HD   PRO  24          2HD       PRO  24  -4.178  -6.171  -3.142
  135   2HD   PRO  24          1HD       PRO  24  -3.405  -6.593  -1.599
  136    H    THR  25           H        THR  25  -3.104  -6.713  -5.408
  137    HA   THR  25           HA       THR  25  -2.064  -8.067  -7.791
  138    HB   THR  25           HB       THR  25  -4.213  -5.952  -7.435
  139    HG1  THR  25           1HG      THR  25  -5.247  -7.511  -6.518
  140   1HG2  THR  25          1HG2      THR  25  -5.075  -7.290  -9.526
  141   2HG2  THR  25          2HG2      THR  25  -3.379  -7.741  -9.699
  142   3HG2  THR  25          3HG2      THR  25  -3.847  -6.041  -9.735
  143    H    TRP  26           H        TRP  26  -1.944  -4.805  -6.424
  144    HA   TRP  26           HA       TRP  26  -0.651  -3.706  -8.855
  145   1HB   TRP  26          2HB       TRP  26  -1.336  -2.500  -6.154
  146   2HB   TRP  26          1HB       TRP  26  -0.807  -1.600  -7.570
  147    HD1  TRP  26           HD       TRP  26  -2.677  -3.692  -9.465
  148    HE1  TRP  26           1HE      TRP  26  -5.173  -3.090  -9.651
  149    HE3  TRP  26           3HE      TRP  26  -3.150  -0.620  -5.413
  150    HZ2  TRP  26           2HZ      TRP  26  -7.116  -1.512  -8.269
  151    HZ3  TRP  26           3HZ      TRP  26  -5.334   0.419  -4.872
  152    HH2  TRP  26           HH       TRP  26  -7.316  -0.024  -6.295
  153    H    LYS  27           H        LYS  27   0.270  -5.092  -5.812
  154    HA   LYS  27           HA       LYS  27   2.385  -5.546  -4.901
  155   1HB   LYS  27          2HB       LYS  27   2.780  -5.780  -7.470
  156   2HB   LYS  27          1HB       LYS  27   3.608  -4.230  -7.318
  157   1HG   LYS  27          2HG       LYS  27   5.362  -5.724  -6.963
  158   2HG   LYS  27          1HG       LYS  27   4.837  -5.401  -5.310
  159   1HD   LYS  27          2HD       LYS  27   3.636  -7.451  -5.177
  160   2HD   LYS  27          1HD       LYS  27   3.720  -7.702  -6.921
  161   1HE   LYS  27          2HE       LYS  27   6.272  -7.508  -5.326
  162   2HE   LYS  27          1HE       LYS  27   5.378  -9.039  -5.392
  163   1HZ   LYS  27          1HZ       LYS  27   6.953  -8.865  -7.231
  164   2HZ   LYS  27          2HZ       LYS  27   6.215  -7.426  -7.749
  165   3HZ   LYS  27          3HZ       LYS  27   5.358  -8.892  -7.804
  166    H    TRP  28           H        TRP  28   1.024  -2.673  -4.862
  167    HA   TRP  28           HA       TRP  28   3.322  -1.449  -3.445
  168   1HB   TRP  28          2HB       TRP  28   3.099   0.656  -4.657
  169   2HB   TRP  28          1HB       TRP  28   3.379  -0.650  -5.798
  170    HD1  TRP  28           HD       TRP  28   0.118   0.776  -4.215
  171    HE1  TRP  28           1HE      TRP  28  -1.553   1.208  -6.131
  172    HE3  TRP  28           3HE      TRP  28   2.973  -0.592  -8.210
  173    HZ2  TRP  28           2HZ      TRP  28  -1.661   1.018  -8.978
  174    HZ3  TRP  28           3HZ      TRP  28   2.071  -0.448 -10.515
  175    HH2  TRP  28           HH       TRP  28  -0.242   0.355 -10.903
  176    H    CYS  29           H        CYS  29   2.567   0.545  -2.194
  177    HA   CYS  29           HA       CYS  29   0.091  -0.139  -0.770
  178   1HB   CYS  29          2HB       CYS  29   2.497   0.785  -0.019
  179   2HB   CYS  29          1HB       CYS  29   1.667   2.329  -0.211
  180    H    VAL  30           H        VAL  30  -1.712   1.261  -0.540
  181    HA   VAL  30           HA       VAL  30  -1.876   3.648  -2.332
  182    HB   VAL  30           HB       VAL  30  -4.119   2.799  -3.078
  183   1HG1  VAL  30          1HG1      VAL  30  -2.106   0.645  -3.659
  184   2HG1  VAL  30          2HG1      VAL  30  -1.815   2.293  -4.214
  185   3HG1  VAL  30          3HG1      VAL  30  -3.250   1.422  -4.752
  186   1HG2  VAL  30          1HG2      VAL  30  -3.809   1.039  -0.924
  187   2HG2  VAL  30          2HG2      VAL  30  -3.616   0.018  -2.348
  188   3HG2  VAL  30          3HG2      VAL  30  -5.080   0.979  -2.143
  189    H    TYR  31           H        TYR  31  -4.189   4.720  -1.803
  190    HA   TYR  31           HA       TYR  31  -4.172   5.556   0.915
  191   1HB   TYR  31          2HB       TYR  31  -6.299   6.618   0.336
  192   2HB   TYR  31          1HB       TYR  31  -5.202   6.739  -1.036
  193    HD1  TYR  31           1HD      TYR  31  -5.628   5.547  -3.101
  194    HD2  TYR  31           2HD      TYR  31  -8.184   4.997   0.309
  195    HE1  TYR  31           1HE      TYR  31  -7.290   4.394  -4.533
  196    HE2  TYR  31           2HE      TYR  31  -9.845   3.841  -1.124
  197    HH   TYR  31           HH       TYR  31 -10.163   4.067  -4.115
  198    H    ALA  32           H        ALA  32  -5.585   5.018   2.684
  199    HA   ALA  32           HA       ALA  32  -6.999   2.380   2.426
  200   1HB   ALA  32          1HB       ALA  32  -4.740   2.368   3.578
  201   2HB   ALA  32          2HB       ALA  32  -6.070   1.785   4.578
  202   3HB   ALA  32          3HB       ALA  32  -5.439   3.414   4.813
  203    H    ARG  33           H        ARG  33  -9.119   2.509   3.037
  204    HA   ARG  33           HA       ARG  33  -9.955   4.335   5.207
  205   1HB   ARG  33          2HB       ARG  33  -9.896   5.268   2.631
  206   2HB   ARG  33          1HB       ARG  33 -11.541   4.638   2.727
  207   1HG   ARG  33          2HG       ARG  33 -12.144   6.100   4.449
  208   2HG   ARG  33          1HG       ARG  33 -10.473   6.351   4.953
  209   1HD   ARG  33          2HD       ARG  33 -10.859   8.355   3.824
  210   2HD   ARG  33          1HD       ARG  33 -10.269   7.362   2.477
  211    HE   ARG  33           HE       ARG  33 -13.165   7.833   3.075
  212   1HH1  ARG  33          1HH2      ARG  33 -11.778   9.091   0.693
  213   2HH1  ARG  33          2HH2      ARG  33 -12.221   8.004  -0.582
  214   1HH2  ARG  33          1HH1      ARG  33 -13.222   5.466   1.574
  215   2HH2  ARG  33          2HH1      ARG  33 -13.042   5.946  -0.081
  216    HA   PRO  34           HA       PRO  34 -12.616   0.812   5.700
  217   1HB   PRO  34          2HB       PRO  34 -14.186   1.841   7.699
  218   2HB   PRO  34          1HB       PRO  34 -12.539   1.233   7.972
  219   1HG   PRO  34          2HG       PRO  34 -13.492   4.039   7.652
  220   2HG   PRO  34          1HG       PRO  34 -12.281   3.379   8.763
  221   1HD   PRO  34          2HD       PRO  34 -11.627   4.708   6.492
  222   2HD   PRO  34          1HD       PRO  34 -10.614   3.421   7.185
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1   7.256   1.462   5.651
    2   2H    GLY   1          2HT       GLY   1   8.757   0.731   5.334
    3   3H    GLY   1          3HT       GLY   1   8.005   1.682   4.145
    4   1HA   GLY   1          2HA       GLY   1   8.819   2.786   6.771
    5   2HA   GLY   1          1HA       GLY   1   9.906   2.757   5.382
    6    H    CYS   2           H        CYS   2   6.444   3.526   5.897
    7    HA   CYS   2           HA       CYS   2   5.142   5.324   5.114
    8   1HB   CYS   2          2HB       CYS   2   6.913   6.344   6.675
    9   2HB   CYS   2          1HB       CYS   2   7.751   6.852   5.208
   10    H    GLY   3           H        GLY   3   5.090   4.097   2.988
   11   1HA   GLY   3          2HA       GLY   3   6.833   5.088   0.844
   12   2HA   GLY   3          1HA       GLY   3   5.515   3.930   0.659
   13    H    GLY   4           H        GLY   4   3.294   4.803   0.664
   14   1HA   GLY   4          2HA       GLY   4   2.296   7.310   0.787
   15   2HA   GLY   4          1HA       GLY   4   3.183   7.398  -0.737
   16    H    LEU   5           H        LEU   5   1.619   7.329  -2.306
   17    HA   LEU   5           HA       LEU   5  -0.582   5.325  -2.040
   18   1HB   LEU   5          2HB       LEU   5  -0.500   8.026  -2.683
   19   2HB   LEU   5          1HB       LEU   5  -0.703   7.239  -4.250
   20    HG   LEU   5           HG       LEU   5  -2.372   6.167  -2.045
   21   1HD1  LEU   5          1HD1      LEU   5  -2.409   8.654  -1.686
   22   2HD1  LEU   5          2HD1      LEU   5  -3.977   7.981  -2.129
   23   3HD1  LEU   5          3HD1      LEU   5  -3.011   8.836  -3.332
   24   1HD2  LEU   5          1HD2      LEU   5  -2.729   6.870  -4.969
   25   2HD2  LEU   5          2HD2      LEU   5  -4.056   6.294  -3.959
   26   3HD2  LEU   5          3HD2      LEU   5  -2.656   5.262  -4.247
   27    H    MET   6           H        MET   6   2.414   5.653  -3.571
   28    HA   MET   6           HA       MET   6   1.757   3.460  -5.455
   29   1HB   MET   6          2HB       MET   6   1.430   5.796  -6.507
   30   2HB   MET   6          1HB       MET   6   3.183   5.958  -6.395
   31   1HG   MET   6          2HG       MET   6   3.579   4.311  -7.971
   32   2HG   MET   6          1HG       MET   6   2.074   3.463  -7.616
   33   1HE   MET   6          1HE       MET   6   0.412   3.919 -10.596
   34   2HE   MET   6          2HE       MET   6  -0.437   4.249  -9.088
   35   3HE   MET   6          3HE       MET   6   0.856   3.053  -9.120
   36    H    ALA   7           H        ALA   7   3.371   3.709  -2.992
   37    HA   ALA   7           HA       ALA   7   6.195   3.842  -3.697
   38   1HB   ALA   7          1HB       ALA   7   6.184   2.621  -1.326
   39   2HB   ALA   7          2HB       ALA   7   4.488   3.101  -1.346
   40   3HB   ALA   7          3HB       ALA   7   5.752   4.324  -1.467
   41    H    GLY   8           H        GLY   8   7.352   1.609  -2.601
   42   1HA   GLY   8          2HA       GLY   8   6.330  -0.597  -4.350
   43   2HA   GLY   8          1HA       GLY   8   8.041  -0.340  -4.012
   44    H    CYS   9           H        CYS   9   4.996  -1.475  -2.679
   45    HA   CYS   9           HA       CYS   9   6.371  -2.420  -0.208
   46   1HB   CYS   9          2HB       CYS   9   4.127  -2.628   0.652
   47   2HB   CYS   9          1HB       CYS   9   4.202  -1.099  -0.220
   48    H    ASP  10           H        ASP  10   7.310  -3.839  -2.331
   49    HA   ASP  10           HA       ASP  10   5.723  -6.159  -3.050
   50   1HB   ASP  10          2HB       ASP  10   7.549  -5.239  -4.427
   51   2HB   ASP  10          1HB       ASP  10   8.709  -5.592  -3.144
   52    H    GLY  11           H        GLY  11   5.046  -7.328  -1.228
   53   1HA   GLY  11          2HA       GLY  11   6.375  -9.378  -0.092
   54   2HA   GLY  11          1HA       GLY  11   6.992  -8.035   0.872
   55    H    LYS  12           H        LYS  12   4.807 -10.393   1.037
   56    HA   LYS  12           HA       LYS  12   2.341  -9.142   1.796
   57   1HB   LYS  12          2HB       LYS  12   2.039 -11.379   3.009
   58   2HB   LYS  12          1HB       LYS  12   2.394 -11.477   1.286
   59   1HG   LYS  12          2HG       LYS  12   4.272 -12.650   1.694
   60   2HG   LYS  12          1HG       LYS  12   4.866 -11.388   2.771
   61   1HD   LYS  12          2HD       LYS  12   3.719 -12.342   4.657
   62   2HD   LYS  12          1HD       LYS  12   2.843 -13.472   3.625
   63   1HE   LYS  12          2HE       LYS  12   4.813 -14.517   4.826
   64   2HE   LYS  12          1HE       LYS  12   4.926 -14.637   3.060
   65   1HZ   LYS  12          1HZ       LYS  12   6.030 -12.303   4.503
   66   2HZ   LYS  12          2HZ       LYS  12   6.420 -12.873   2.951
   67   3HZ   LYS  12          3HZ       LYS  12   6.944 -13.719   4.326
   68    H    SER  13           H        SER  13   5.385  -9.224   3.423
   69    HA   SER  13           HA       SER  13   4.093  -8.599   6.052
   70   1HB   SER  13          2HB       SER  13   5.804 -10.503   5.671
   71   2HB   SER  13          1HB       SER  13   7.003  -9.224   5.511
   72    HG   SER  13           HG       SER  13   5.546 -10.074   7.731
   73    H    THR  14           H        THR  14   4.422  -6.683   3.741
   74    HA   THR  14           HA       THR  14   6.493  -4.796   4.751
   75    HB   THR  14           HB       THR  14   6.167  -5.450   2.300
   76    HG1  THR  14           1HG      THR  14   6.825  -3.495   1.729
   77   1HG2  THR  14          1HG2      THR  14   3.890  -3.494   2.286
   78   2HG2  THR  14          2HG2      THR  14   3.571  -5.190   2.642
   79   3HG2  THR  14          3HG2      THR  14   4.299  -4.736   1.103
   80    H    PHE  15           H        PHE  15   5.774  -2.421   4.833
   81    HA   PHE  15           HA       PHE  15   2.920  -2.006   5.529
   82   1HB   PHE  15          2HB       PHE  15   3.360  -1.395   7.778
   83   2HB   PHE  15          1HB       PHE  15   4.347  -2.833   7.531
   84    HD1  PHE  15           1HD      PHE  15   4.341   0.641   8.440
   85    HD2  PHE  15           2HD      PHE  15   6.821  -2.493   6.862
   86    HE1  PHE  15           1HE      PHE  15   6.366   1.939   9.043
   87    HE2  PHE  15           2HE      PHE  15   8.845  -1.194   7.466
   88    HZ   PHE  15           HZ       PHE  15   8.617   1.022   8.556
   89    H    CYS  16           H        CYS  16   2.283   0.175   5.279
   90    HA   CYS  16           HA       CYS  16   4.191   1.898   3.808
   91   1HB   CYS  16          2HB       CYS  16   1.270   2.356   4.493
   92   2HB   CYS  16          1HB       CYS  16   2.187   3.096   3.183
   93    H    CYS  17           H        CYS  17   2.613   4.333   4.779
   94    HA   CYS  17           HA       CYS  17   4.369   4.978   7.036
   95   1HB   CYS  17          2HB       CYS  17   3.421   6.383   4.974
   96   2HB   CYS  17          1HB       CYS  17   2.128   6.736   6.120
   97    H    SER  18           H        SER  18   0.830   5.357   6.668
   98    HA   SER  18           HA       SER  18   0.270   3.991   9.192
   99   1HB   SER  18          2HB       SER  18   1.232   6.156   9.921
  100   2HB   SER  18          1HB       SER  18   0.017   7.009   8.972
  101    HG   SER  18           HG       SER  18  -1.472   6.502  10.409
  102    H    GLY  19           H        GLY  19  -1.001   6.458   6.933
  103   1HA   GLY  19          2HA       GLY  19  -3.698   5.226   7.139
  104   2HA   GLY  19          1HA       GLY  19  -3.342   6.793   6.414
  105    H    TYR  20           H        TYR  20  -1.294   4.076   5.624
  106    HA   TYR  20           HA       TYR  20  -2.681   3.771   2.983
  107   1HB   TYR  20          2HB       TYR  20   0.276   4.150   3.577
  108   2HB   TYR  20          1HB       TYR  20  -0.374   3.750   1.987
  109    HD1  TYR  20           1HD      TYR  20   0.030   6.370   4.519
  110    HD2  TYR  20           2HD      TYR  20  -1.782   5.371   0.754
  111    HE1  TYR  20           1HE      TYR  20  -0.412   8.773   4.094
  112    HE2  TYR  20           2HE      TYR  20  -2.224   7.773   0.330
  113    HH   TYR  20           HH       TYR  20  -2.409  10.001   2.397
  114    H    ASN  21           H        ASN  21  -2.614   1.655   2.140
  115    HA   ASN  21           HA       ASN  21  -1.299  -0.432   3.860
  116   1HB   ASN  21          2HB       ASN  21  -4.015  -0.159   2.619
  117   2HB   ASN  21          1HB       ASN  21  -3.332  -1.780   2.772
  118   1HD2  ASN  21          1HD2      ASN  21  -2.757  -2.514   5.005
  119   2HD2  ASN  21          2HD2      ASN  21  -3.525  -1.810   6.345
  120    H    CYS  22           H        CYS  22  -0.554  -2.357   2.635
  121    HA   CYS  22           HA       CYS  22   0.435  -1.613  -0.051
  122   1HB   CYS  22          2HB       CYS  22   1.963  -2.629   1.528
  123   2HB   CYS  22          1HB       CYS  22   0.858  -3.974   1.803
  124    H    SER  23           H        SER  23  -0.213  -2.590  -1.962
  125    HA   SER  23           HA       SER  23  -2.597  -4.392  -1.808
  126   1HB   SER  23          2HB       SER  23  -1.769  -2.094  -3.390
  127   2HB   SER  23          1HB       SER  23  -2.212  -3.446  -4.427
  128    HG   SER  23           HG       SER  23  -3.802  -1.806  -3.080
  129    HA   PRO  24           HA       PRO  24   0.098  -7.585  -3.321
  130   1HB   PRO  24          2HB       PRO  24  -1.827  -9.462  -3.820
  131   2HB   PRO  24          1HB       PRO  24  -1.256  -9.071  -2.186
  132   1HG   PRO  24          2HG       PRO  24  -3.734  -8.208  -3.581
  133   2HG   PRO  24          1HG       PRO  24  -3.483  -8.630  -1.881
  134   1HD   PRO  24          2HD       PRO  24  -3.664  -6.062  -2.811
  135   2HD   PRO  24          1HD       PRO  24  -2.804  -6.525  -1.327
  136    H    THR  25           H        THR  25  -2.729  -6.449  -5.122
  137    HA   THR  25           HA       THR  25  -1.839  -7.685  -7.648
  138    HB   THR  25           HB       THR  25  -4.115  -5.881  -6.789
  139    HG1  THR  25           1HG      THR  25  -5.194  -7.698  -6.712
  140   1HG2  THR  25          1HG2      THR  25  -5.012  -6.537  -9.138
  141   2HG2  THR  25          2HG2      THR  25  -3.320  -6.844  -9.532
  142   3HG2  THR  25          3HG2      THR  25  -3.832  -5.231  -9.034
  143    H    TRP  26           H        TRP  26  -1.951  -4.453  -6.181
  144    HA   TRP  26           HA       TRP  26  -0.817  -3.185  -8.601
  145   1HB   TRP  26          2HB       TRP  26  -1.468  -2.070  -5.854
  146   2HB   TRP  26          1HB       TRP  26  -1.192  -1.139  -7.323
  147    HD1  TRP  26           HD       TRP  26  -3.828  -3.057  -5.471
  148    HE1  TRP  26           1HE      TRP  26  -6.044  -2.985  -6.780
  149    HE3  TRP  26           3HE      TRP  26  -2.187  -1.063  -9.875
  150    HZ2  TRP  26           2HZ      TRP  26  -6.998  -2.186  -9.354
  151    HZ3  TRP  26           3HZ      TRP  26  -3.769  -0.657 -11.737
  152    HH2  TRP  26           HH       TRP  26  -6.171  -1.216 -11.484
  153    H    LYS  27           H        LYS  27   0.354  -4.624  -5.695
  154    HA   LYS  27           HA       LYS  27   2.501  -4.842  -4.793
  155   1HB   LYS  27          2HB       LYS  27   2.979  -3.956  -7.630
  156   2HB   LYS  27          1HB       LYS  27   4.338  -4.224  -6.540
  157   1HG   LYS  27          2HG       LYS  27   2.168  -6.295  -6.887
  158   2HG   LYS  27          1HG       LYS  27   3.560  -6.229  -7.967
  159   1HD   LYS  27          2HD       LYS  27   5.091  -6.658  -6.206
  160   2HD   LYS  27          1HD       LYS  27   3.894  -6.288  -4.966
  161   1HE   LYS  27          2HE       LYS  27   3.204  -8.502  -6.843
  162   2HE   LYS  27          1HE       LYS  27   4.481  -8.828  -5.655
  163   1HZ   LYS  27          1HZ       LYS  27   3.071  -8.151  -3.889
  164   2HZ   LYS  27          2HZ       LYS  27   2.164  -9.233  -4.834
  165   3HZ   LYS  27          3HZ       LYS  27   1.887  -7.560  -4.953
  166    H    TRP  28           H        TRP  28   1.051  -1.966  -4.891
  167    HA   TRP  28           HA       TRP  28   3.437  -0.606  -3.715
  168   1HB   TRP  28          2HB       TRP  28   2.844   1.463  -4.874
  169   2HB   TRP  28          1HB       TRP  28   3.099   0.176  -6.038
  170    HD1  TRP  28           HD       TRP  28  -0.063   1.314  -4.061
  171    HE1  TRP  28           1HE      TRP  28  -1.974   1.611  -5.762
  172    HE3  TRP  28           3HE      TRP  28   2.404   0.170  -8.380
  173    HZ2  TRP  28           2HZ      TRP  28  -2.405   1.398  -8.576
  174    HZ3  TRP  28           3HZ      TRP  28   1.222   0.230 -10.557
  175    HH2  TRP  28           HH       TRP  28  -1.178   0.843 -10.660
  176    H    CYS  29           H        CYS  29   2.852   1.116  -2.173
  177    HA   CYS  29           HA       CYS  29   0.705   0.356  -0.412
  178   1HB   CYS  29          2HB       CYS  29   2.681   2.602  -0.664
  179   2HB   CYS  29          1HB       CYS  29   1.363   2.764   0.495
  180    H    VAL  30           H        VAL  30  -1.408   1.024  -0.401
  181    HA   VAL  30           HA       VAL  30  -2.211   3.236  -2.269
  182    HB   VAL  30           HB       VAL  30  -4.393   1.969  -2.348
  183   1HG1  VAL  30          1HG1      VAL  30  -3.502   0.088  -3.725
  184   2HG1  VAL  30          2HG1      VAL  30  -1.883   0.466  -3.138
  185   3HG1  VAL  30          3HG1      VAL  30  -2.763   1.639  -4.116
  186   1HG2  VAL  30          1HG2      VAL  30  -4.679  -0.093  -1.289
  187   2HG2  VAL  30          2HG2      VAL  30  -3.749   0.791  -0.079
  188   3HG2  VAL  30          3HG2      VAL  30  -2.944  -0.370  -1.135
  189    H    TYR  31           H        TYR  31  -4.556   4.048  -1.459
  190    HA   TYR  31           HA       TYR  31  -4.134   5.194   1.193
  191   1HB   TYR  31          2HB       TYR  31  -5.212   6.323  -0.781
  192   2HB   TYR  31          1HB       TYR  31  -6.575   5.216  -0.615
  193    HD1  TYR  31           1HD      TYR  31  -4.498   7.486   1.547
  194    HD2  TYR  31           2HD      TYR  31  -8.404   5.955   0.621
  195    HE1  TYR  31           1HE      TYR  31  -5.485   8.954   3.283
  196    HE2  TYR  31           2HE      TYR  31  -9.390   7.424   2.358
  197    HH   TYR  31           HH       TYR  31  -8.206   9.965   3.507
  198    H    ALA  32           H        ALA  32  -5.207   4.638   3.110
  199    HA   ALA  32           HA       ALA  32  -6.479   1.967   3.183
  200   1HB   ALA  32          1HB       ALA  32  -6.195   2.262   5.604
  201   2HB   ALA  32          2HB       ALA  32  -5.797   3.963   5.371
  202   3HB   ALA  32          3HB       ALA  32  -4.704   2.712   4.779
  203    H    ARG  33           H        ARG  33  -8.533   2.437   2.174
  204    HA   ARG  33           HA       ARG  33 -10.260   4.579   3.156
  205   1HB   ARG  33          2HB       ARG  33 -10.359   2.326   1.189
  206   2HB   ARG  33          1HB       ARG  33 -11.890   3.031   1.707
  207   1HG   ARG  33          2HG       ARG  33 -10.628   5.312   1.225
  208   2HG   ARG  33          1HG       ARG  33  -9.649   4.291   0.171
  209   1HD   ARG  33          2HD       ARG  33 -12.441   3.646  -0.210
  210   2HD   ARG  33          1HD       ARG  33 -12.194   5.390  -0.417
  211    HE   ARG  33           HE       ARG  33 -10.176   4.639  -1.898
  212   1HH1  ARG  33          1HH2      ARG  33 -13.031   4.596  -3.085
  213   2HH1  ARG  33          2HH2      ARG  33 -13.003   3.076  -3.915
  214   1HH2  ARG  33          1HH1      ARG  33 -10.163   1.930  -2.277
  215   2HH2  ARG  33          2HH1      ARG  33 -11.378   1.564  -3.456
  216    HA   PRO  34           HA       PRO  34 -11.864   2.236   6.570
  217   1HB   PRO  34          2HB       PRO  34 -13.973   3.872   7.174
  218   2HB   PRO  34          1HB       PRO  34 -12.293   4.264   7.591
  219   1HG   PRO  34          2HG       PRO  34 -13.972   5.269   5.352
  220   2HG   PRO  34          1HG       PRO  34 -12.781   6.125   6.343
  221   1HD   PRO  34          2HD       PRO  34 -12.286   5.229   3.809
  222   2HD   PRO  34          1HD       PRO  34 -11.026   5.456   5.043
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1   8.946   5.970   9.102
    2   2H    GLY   1          2HT       GLY   1  10.306   4.967   9.278
    3   3H    GLY   1          3HT       GLY   1   8.747   4.294   9.266
    4   1HA   GLY   1          2HA       GLY   1  10.150   5.590   6.993
    5   2HA   GLY   1          1HA       GLY   1   9.742   3.882   7.148
    6    H    CYS   2           H        CYS   2   8.852   6.240   5.300
    7    HA   CYS   2           HA       CYS   2   5.920   5.623   5.474
    8   1HB   CYS   2          2HB       CYS   2   7.439   8.202   5.203
    9   2HB   CYS   2          1HB       CYS   2   5.837   8.074   4.477
   10    H    GLY   3           H        GLY   3   5.154   4.757   3.576
   11   1HA   GLY   3          2HA       GLY   3   6.900   4.617   1.226
   12   2HA   GLY   3          1HA       GLY   3   5.308   3.870   1.382
   13    H    GLY   4           H        GLY   4   3.429   5.163   0.944
   14   1HA   GLY   4          2HA       GLY   4   2.911   7.730   0.490
   15   2HA   GLY   4          1HA       GLY   4   3.997   7.444  -0.870
   16    H    LEU   5           H        LEU   5   2.444   7.683  -2.505
   17    HA   LEU   5           HA       LEU   5   0.026   5.945  -2.419
   18   1HB   LEU   5          2HB       LEU   5   0.467   8.553  -3.136
   19   2HB   LEU   5          1HB       LEU   5   0.503   7.750  -4.707
   20    HG   LEU   5           HG       LEU   5  -1.671   6.963  -2.823
   21   1HD1  LEU   5          1HD1      LEU   5  -2.441   9.239  -4.472
   22   2HD1  LEU   5          2HD1      LEU   5  -1.196   9.674  -3.302
   23   3HD1  LEU   5          3HD1      LEU   5  -2.712   8.962  -2.751
   24   1HD2  LEU   5          1HD2      LEU   5  -1.015   6.801  -5.644
   25   2HD2  LEU   5          2HD2      LEU   5  -2.605   7.528  -5.422
   26   3HD2  LEU   5          3HD2      LEU   5  -2.261   5.937  -4.744
   27    H    MET   6           H        MET   6   3.185   5.752  -3.597
   28    HA   MET   6           HA       MET   6   2.438   3.545  -5.430
   29   1HB   MET   6          2HB       MET   6   3.774   6.144  -6.175
   30   2HB   MET   6          1HB       MET   6   4.125   4.678  -7.093
   31   1HG   MET   6          2HG       MET   6   1.397   4.566  -6.954
   32   2HG   MET   6          1HG       MET   6   1.662   6.309  -7.019
   33   1HE   MET   6          1HE       MET   6   0.836   3.515  -8.464
   34   2HE   MET   6          2HE       MET   6   1.754   3.102  -9.909
   35   3HE   MET   6          3HE       MET   6   0.454   4.284 -10.009
   36    H    ALA   7           H        ALA   7   3.682   3.502  -2.863
   37    HA   ALA   7           HA       ALA   7   6.580   3.390  -3.050
   38   1HB   ALA   7          1HB       ALA   7   4.654   3.460  -1.078
   39   2HB   ALA   7          2HB       ALA   7   6.363   3.130  -0.797
   40   3HB   ALA   7          3HB       ALA   7   5.225   1.795  -0.973
   41    H    GLY   8           H        GLY   8   7.283   0.978  -1.914
   42   1HA   GLY   8          2HA       GLY   8   6.498  -1.003  -4.020
   43   2HA   GLY   8          1HA       GLY   8   8.116  -0.917  -3.324
   44    H    CYS   9           H        CYS   9   5.154  -2.502  -3.110
   45    HA   CYS   9           HA       CYS   9   5.192  -3.063  -0.233
   46   1HB   CYS   9          2HB       CYS   9   3.684  -4.217  -2.603
   47   2HB   CYS   9          1HB       CYS   9   3.366  -4.666  -0.928
   48    H    ASP  10           H        ASP  10   5.143  -5.490  -2.835
   49    HA   ASP  10           HA       ASP  10   6.268  -7.557  -3.029
   50   1HB   ASP  10          2HB       ASP  10   7.971  -5.541  -3.330
   51   2HB   ASP  10          1HB       ASP  10   8.653  -6.174  -1.833
   52    H    GLY  11           H        GLY  11   4.801  -8.087  -0.995
   53   1HA   GLY  11          2HA       GLY  11   5.647  -9.918   0.679
   54   2HA   GLY  11          1HA       GLY  11   6.458  -8.538   1.428
   55    H    LYS  12           H        LYS  12   3.761 -10.378   1.688
   56    HA   LYS  12           HA       LYS  12   1.611  -8.527   2.032
   57   1HB   LYS  12          2HB       LYS  12   2.283 -11.199   3.293
   58   2HB   LYS  12          1HB       LYS  12   0.719 -10.409   3.472
   59   1HG   LYS  12          2HG       LYS  12   0.094 -10.854   1.315
   60   2HG   LYS  12          1HG       LYS  12   1.736 -10.675   0.695
   61   1HD   LYS  12          2HD       LYS  12   1.133 -12.995   2.494
   62   2HD   LYS  12          1HD       LYS  12   0.589 -13.065   0.819
   63   1HE   LYS  12          2HE       LYS  12   2.704 -13.894   0.449
   64   2HE   LYS  12          1HE       LYS  12   3.165 -12.182   0.482
   65   1HZ   LYS  12          1HZ       LYS  12   2.945 -13.817   2.949
   66   2HZ   LYS  12          2HZ       LYS  12   3.698 -12.304   2.759
   67   3HZ   LYS  12          3HZ       LYS  12   4.394 -13.694   2.076
   68    H    SER  13           H        SER  13   4.451  -9.052   3.952
   69    HA   SER  13           HA       SER  13   3.229  -7.906   6.410
   70   1HB   SER  13          2HB       SER  13   5.522  -9.574   5.652
   71   2HB   SER  13          1HB       SER  13   5.932  -8.346   6.846
   72    HG   SER  13           HG       SER  13   4.498 -10.614   7.127
   73    H    THR  14           H        THR  14   4.274  -6.525   3.646
   74    HA   THR  14           HA       THR  14   6.257  -4.616   4.560
   75    HB   THR  14           HB       THR  14   5.777  -5.391   2.182
   76    HG1  THR  14           1HG      THR  14   5.583  -2.585   2.515
   77   1HG2  THR  14          1HG2      THR  14   3.941  -4.393   0.975
   78   2HG2  THR  14          2HG2      THR  14   3.486  -3.419   2.373
   79   3HG2  THR  14          3HG2      THR  14   3.281  -5.169   2.414
   80    H    PHE  15           H        PHE  15   5.851  -2.278   4.853
   81    HA   PHE  15           HA       PHE  15   3.032  -1.578   5.580
   82   1HB   PHE  15          2HB       PHE  15   5.408  -1.869   7.284
   83   2HB   PHE  15          1HB       PHE  15   4.608  -0.309   7.479
   84    HD1  PHE  15           1HD      PHE  15   2.215  -0.193   8.144
   85    HD2  PHE  15           2HD      PHE  15   4.342  -3.923   7.979
   86    HE1  PHE  15           1HE      PHE  15   0.430  -1.271   9.488
   87    HE2  PHE  15           2HE      PHE  15   2.558  -4.999   9.322
   88    HZ   PHE  15           HZ       PHE  15   0.601  -3.674  10.076
   89    H    CYS  16           H        CYS  16   2.489   0.571   5.149
   90    HA   CYS  16           HA       CYS  16   4.456   2.133   3.553
   91   1HB   CYS  16          2HB       CYS  16   1.498   2.565   4.085
   92   2HB   CYS  16          1HB       CYS  16   2.455   3.325   2.815
   93    H    CYS  17           H        CYS  17   2.688   4.583   4.345
   94    HA   CYS  17           HA       CYS  17   4.385   5.382   6.633
   95   1HB   CYS  17          2HB       CYS  17   4.090   6.760   4.571
   96   2HB   CYS  17          1HB       CYS  17   2.381   6.934   4.966
   97    H    SER  18           H        SER  18   1.060   6.515   6.140
   98    HA   SER  18           HA       SER  18   0.167   5.145   8.624
   99   1HB   SER  18          2HB       SER  18   0.501   8.106   8.170
  100   2HB   SER  18          1HB       SER  18  -0.656   7.501   9.350
  101    HG   SER  18           HG       SER  18   2.114   7.488   9.375
  102    H    GLY  19           H        GLY  19  -0.765   7.498   6.096
  103   1HA   GLY  19          2HA       GLY  19  -3.556   6.472   6.220
  104   2HA   GLY  19          1HA       GLY  19  -3.057   7.972   5.438
  105    H    TYR  20           H        TYR  20  -1.200   5.050   4.948
  106    HA   TYR  20           HA       TYR  20  -2.430   4.699   2.238
  107   1HB   TYR  20          2HB       TYR  20   0.494   4.962   3.019
  108   2HB   TYR  20          1HB       TYR  20  -0.043   4.422   1.429
  109    HD1  TYR  20           1HD      TYR  20   0.611   7.262   3.540
  110    HD2  TYR  20           2HD      TYR  20  -1.583   5.971   0.079
  111    HE1  TYR  20           1HE      TYR  20   0.338   9.622   2.832
  112    HE2  TYR  20           2HE      TYR  20  -1.857   8.331  -0.627
  113    HH   TYR  20           HH       TYR  20  -0.096  10.741   0.295
  114    H    ASN  21           H        ASN  21  -2.766   2.543   1.758
  115    HA   ASN  21           HA       ASN  21  -1.619   0.497   3.624
  116   1HB   ASN  21          2HB       ASN  21  -4.196   1.023   2.985
  117   2HB   ASN  21          1HB       ASN  21  -3.812  -0.122   1.700
  118   1HD2  ASN  21          1HD2      ASN  21  -4.284  -2.239   2.302
  119   2HD2  ASN  21          2HD2      ASN  21  -4.163  -2.857   3.879
  120    H    CYS  22           H        CYS  22  -0.597  -1.386   2.666
  121    HA   CYS  22           HA       CYS  22   0.553  -0.865  -0.006
  122   1HB   CYS  22          2HB       CYS  22   1.387  -2.053   2.384
  123   2HB   CYS  22          1HB       CYS  22   1.218  -3.405   1.263
  124    H    SER  23           H        SER  23  -0.331  -1.691  -1.826
  125    HA   SER  23           HA       SER  23  -2.430  -3.779  -1.638
  126   1HB   SER  23          2HB       SER  23  -1.764  -1.499  -3.295
  127   2HB   SER  23          1HB       SER  23  -2.009  -2.924  -4.298
  128    HG   SER  23           HG       SER  23  -4.033  -3.165  -3.437
  129    HA   PRO  24           HA       PRO  24   0.595  -6.796  -2.920
  130   1HB   PRO  24          2HB       PRO  24  -1.131  -8.911  -3.115
  131   2HB   PRO  24          1HB       PRO  24  -0.517  -8.303  -1.565
  132   1HG   PRO  24          2HG       PRO  24  -3.153  -7.862  -2.862
  133   2HG   PRO  24          1HG       PRO  24  -2.757  -8.066  -1.149
  134   1HD   PRO  24          2HD       PRO  24  -3.283  -5.648  -2.331
  135   2HD   PRO  24          1HD       PRO  24  -2.309  -5.851  -0.860
  136    H    THR  25           H        THR  25  -2.525  -6.388  -4.572
  137    HA   THR  25           HA       THR  25  -1.757  -7.703  -7.036
  138    HB   THR  25           HB       THR  25  -3.904  -5.659  -6.373
  139    HG1  THR  25           1HG      THR  25  -4.550  -7.324  -5.261
  140   1HG2  THR  25          1HG2      THR  25  -3.118  -6.899  -8.867
  141   2HG2  THR  25          2HG2      THR  25  -4.361  -5.684  -8.574
  142   3HG2  THR  25          3HG2      THR  25  -4.750  -7.397  -8.420
  143    H    TRP  26           H        TRP  26  -1.725  -4.333  -5.911
  144    HA   TRP  26           HA       TRP  26  -0.690  -3.363  -8.513
  145   1HB   TRP  26          2HB       TRP  26  -1.238  -1.945  -5.884
  146   2HB   TRP  26          1HB       TRP  26  -0.962  -1.171  -7.443
  147    HD1  TRP  26           HD       TRP  26  -3.578  -3.062  -5.453
  148    HE1  TRP  26           1HE      TRP  26  -5.831  -2.965  -6.699
  149    HE3  TRP  26           3HE      TRP  26  -2.062  -0.975  -9.859
  150    HZ2  TRP  26           2HZ      TRP  26  -6.858  -2.110  -9.225
  151    HZ3  TRP  26           3HZ      TRP  26  -3.698  -0.529 -11.666
  152    HH2  TRP  26           HH       TRP  26  -6.091  -1.093 -11.355
  153    H    LYS  27           H        LYS  27   0.590  -4.565  -5.569
  154    HA   LYS  27           HA       LYS  27   2.772  -4.739  -4.747
  155   1HB   LYS  27          2HB       LYS  27   3.243  -3.883  -7.611
  156   2HB   LYS  27          1HB       LYS  27   4.557  -4.328  -6.524
  157   1HG   LYS  27          2HG       LYS  27   2.187  -6.107  -7.178
  158   2HG   LYS  27          1HG       LYS  27   3.783  -6.247  -7.916
  159   1HD   LYS  27          2HD       LYS  27   4.413  -6.217  -5.243
  160   2HD   LYS  27          1HD       LYS  27   2.875  -7.079  -5.236
  161   1HE   LYS  27          2HE       LYS  27   5.041  -7.824  -7.209
  162   2HE   LYS  27          1HE       LYS  27   5.029  -8.493  -5.566
  163   1HZ   LYS  27          1HZ       LYS  27   3.740  -9.912  -7.002
  164   2HZ   LYS  27          2HZ       LYS  27   2.800  -8.600  -7.532
  165   3HZ   LYS  27          3HZ       LYS  27   2.692  -9.130  -5.922
  166    H    TRP  28           H        TRP  28   1.278  -1.954  -4.771
  167    HA   TRP  28           HA       TRP  28   3.627  -0.515  -3.688
  168   1HB   TRP  28          2HB       TRP  28   3.275   1.443  -5.076
  169   2HB   TRP  28          1HB       TRP  28   3.461   0.041  -6.116
  170    HD1  TRP  28           HD       TRP  28   0.367   1.664  -4.392
  171    HE1  TRP  28           1HE      TRP  28  -1.471   1.921  -6.178
  172    HE3  TRP  28           3HE      TRP  28   2.813  -0.207  -8.461
  173    HZ2  TRP  28           2HZ      TRP  28  -1.856   1.411  -8.961
  174    HZ3  TRP  28           3HZ      TRP  28   1.692  -0.304 -10.669
  175    HH2  TRP  28           HH       TRP  28  -0.639   0.503 -10.923
  176    H    CYS  29           H        CYS  29   3.023   1.314  -2.325
  177    HA   CYS  29           HA       CYS  29   0.724   0.801  -0.678
  178   1HB   CYS  29          2HB       CYS  29   2.683   3.092  -0.967
  179   2HB   CYS  29          1HB       CYS  29   1.439   3.071   0.282
  180    H    VAL  30           H        VAL  30  -1.315   1.652  -0.748
  181    HA   VAL  30           HA       VAL  30  -1.919   3.781  -2.776
  182    HB   VAL  30           HB       VAL  30  -4.113   2.581  -3.020
  183   1HG1  VAL  30          1HG1      VAL  30  -3.027   0.419  -4.016
  184   2HG1  VAL  30          2HG1      VAL  30  -1.505   1.203  -3.594
  185   3HG1  VAL  30          3HG1      VAL  30  -2.621   1.986  -4.711
  186   1HG2  VAL  30          1HG2      VAL  30  -4.569   0.549  -1.928
  187   2HG2  VAL  30          2HG2      VAL  30  -3.795   1.499  -0.660
  188   3HG2  VAL  30          3HG2      VAL  30  -2.874   0.272  -1.530
  189    H    TYR  31           H        TYR  31  -4.443   4.473  -2.063
  190    HA   TYR  31           HA       TYR  31  -4.098   5.902   0.429
  191   1HB   TYR  31          2HB       TYR  31  -6.238   6.818  -0.108
  192   2HB   TYR  31          1HB       TYR  31  -5.472   6.505  -1.662
  193    HD1  TYR  31           1HD      TYR  31  -6.216   4.641  -3.087
  194    HD2  TYR  31           2HD      TYR  31  -8.110   5.467   0.681
  195    HE1  TYR  31           1HE      TYR  31  -8.116   3.178  -3.720
  196    HE2  TYR  31           2HE      TYR  31 -10.008   4.003   0.047
  197    HH   TYR  31           HH       TYR  31 -10.013   1.780  -1.993
  198    H    ALA  32           H        ALA  32  -5.153   5.532   2.446
  199    HA   ALA  32           HA       ALA  32  -6.105   2.720   2.851
  200   1HB   ALA  32          1HB       ALA  32  -4.102   3.459   4.086
  201   2HB   ALA  32          2HB       ALA  32  -5.434   3.162   5.202
  202   3HB   ALA  32          3HB       ALA  32  -5.007   4.814   4.759
  203    H    ARG  33           H        ARG  33  -8.210   2.395   3.483
  204    HA   ARG  33           HA       ARG  33 -10.136   4.533   3.467
  205   1HB   ARG  33          2HB       ARG  33 -10.023   1.608   3.946
  206   2HB   ARG  33          1HB       ARG  33 -11.390   2.438   4.690
  207   1HG   ARG  33          2HG       ARG  33 -10.951   3.391   1.981
  208   2HG   ARG  33          1HG       ARG  33 -11.175   1.641   2.008
  209   1HD   ARG  33          2HD       ARG  33 -13.034   3.443   3.566
  210   2HD   ARG  33          1HD       ARG  33 -13.313   3.111   1.845
  211    HE   ARG  33           HE       ARG  33 -13.188   1.008   3.972
  212   1HH1  ARG  33          1HH2      ARG  33 -15.792   1.692   2.641
  213   2HH1  ARG  33          2HH2      ARG  33 -15.901   0.477   1.411
  214   1HH2  ARG  33          1HH1      ARG  33 -12.540  -0.387   1.593
  215   2HH2  ARG  33          2HH1      ARG  33 -14.056  -0.703   0.817
  216    HA   PRO  34           HA       PRO  34 -10.290   4.056   8.224
  217   1HB   PRO  34          2HB       PRO  34  -8.414   2.493   9.462
  218   2HB   PRO  34          1HB       PRO  34  -9.970   1.863   8.883
  219   1HG   PRO  34          2HG       PRO  34  -7.272   1.662   7.653
  220   2HG   PRO  34          1HG       PRO  34  -8.584   0.476   7.701
  221   1HD   PRO  34          2HD       PRO  34  -7.994   2.018   5.520
  222   2HD   PRO  34          1HD       PRO  34  -9.601   1.337   5.852
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1   9.070   4.459   8.302
    2   2H    GLY   1          2HT       GLY   1  10.474   3.570   7.955
    3   3H    GLY   1          3HT       GLY   1   9.122   2.797   8.635
    4   1HA   GLY   1          2HA       GLY   1   9.740   3.239   5.909
    5   2HA   GLY   1          1HA       GLY   1   8.436   2.279   6.607
    6    H    CYS   2           H        CYS   2   8.589   4.346   4.326
    7    HA   CYS   2           HA       CYS   2   6.025   5.662   4.974
    8   1HB   CYS   2          2HB       CYS   2   8.357   6.946   5.613
    9   2HB   CYS   2          1HB       CYS   2   8.088   7.535   3.974
   10    H    GLY   3           H        GLY   3   5.008   4.785   3.159
   11   1HA   GLY   3          2HA       GLY   3   6.347   5.104   0.512
   12   2HA   GLY   3          1HA       GLY   3   5.032   3.979   0.850
   13    H    GLY   4           H        GLY   4   3.115   4.617   0.003
   14   1HA   GLY   4          2HA       GLY   4   1.812   7.056   0.477
   15   2HA   GLY   4          1HA       GLY   4   2.691   7.275  -1.037
   16    H    LEU   5           H        LEU   5   1.306   6.992  -2.716
   17    HA   LEU   5           HA       LEU   5  -0.862   4.946  -2.482
   18   1HB   LEU   5          2HB       LEU   5  -0.406   7.445  -4.108
   19   2HB   LEU   5          1HB       LEU   5  -1.662   6.288  -4.553
   20    HG   LEU   5           HG       LEU   5  -2.203   6.507  -1.923
   21   1HD1  LEU   5          1HD1      LEU   5  -0.647   8.933  -2.708
   22   2HD1  LEU   5          2HD1      LEU   5  -0.751   8.123  -1.145
   23   3HD1  LEU   5          3HD1      LEU   5  -2.065   9.168  -1.685
   24   1HD2  LEU   5          1HD2      LEU   5  -3.805   8.411  -2.675
   25   2HD2  LEU   5          2HD2      LEU   5  -3.935   6.850  -3.486
   26   3HD2  LEU   5          3HD2      LEU   5  -3.086   8.183  -4.270
   27    H    MET   6           H        MET   6   2.228   5.214  -3.781
   28    HA   MET   6           HA       MET   6   1.723   2.942  -5.613
   29   1HB   MET   6          2HB       MET   6   1.564   5.413  -6.634
   30   2HB   MET   6          1HB       MET   6   3.318   5.234  -6.687
   31   1HG   MET   6          2HG       MET   6   2.064   2.813  -7.632
   32   2HG   MET   6          1HG       MET   6   1.434   4.197  -8.524
   33   1HE   MET   6          1HE       MET   6   3.230   1.600  -8.724
   34   2HE   MET   6          2HE       MET   6   4.866   1.908  -8.146
   35   3HE   MET   6          3HE       MET   6   4.540   1.885  -9.877
   36    H    ALA   7           H        ALA   7   3.180   3.381  -3.044
   37    HA   ALA   7           HA       ALA   7   6.044   3.386  -3.668
   38   1HB   ALA   7          1HB       ALA   7   4.758   2.422  -1.115
   39   2HB   ALA   7          2HB       ALA   7   4.735   4.136  -1.533
   40   3HB   ALA   7          3HB       ALA   7   6.273   3.301  -1.321
   41    H    GLY   8           H        GLY   8   7.230   1.592  -4.203
   42   1HA   GLY   8          2HA       GLY   8   6.089  -0.907  -4.840
   43   2HA   GLY   8          1HA       GLY   8   7.810  -0.658  -4.543
   44    H    CYS   9           H        CYS   9   5.189  -2.375  -3.499
   45    HA   CYS   9           HA       CYS   9   5.871  -2.381  -0.620
   46   1HB   CYS   9          2HB       CYS   9   3.541  -2.436  -1.170
   47   2HB   CYS   9          1HB       CYS   9   3.786  -3.704  -2.373
   48    H    ASP  10           H        ASP  10   5.213  -5.125  -2.801
   49    HA   ASP  10           HA       ASP  10   6.306  -7.194  -3.063
   50   1HB   ASP  10          2HB       ASP  10   8.132  -5.075  -3.322
   51   2HB   ASP  10          1HB       ASP  10   8.949  -6.244  -2.284
   52    H    GLY  11           H        GLY  11   5.359  -8.246  -1.225
   53   1HA   GLY  11          2HA       GLY  11   6.693  -9.654   0.583
   54   2HA   GLY  11          1HA       GLY  11   6.833  -8.076   1.353
   55    H    LYS  12           H        LYS  12   3.964  -7.641   0.036
   56    HA   LYS  12           HA       LYS  12   1.741  -7.766   0.784
   57   1HB   LYS  12          2HB       LYS  12   2.761 -10.405   1.892
   58   2HB   LYS  12          1HB       LYS  12   1.068  -9.978   1.664
   59   1HG   LYS  12          2HG       LYS  12   1.213 -10.072  -0.663
   60   2HG   LYS  12          1HG       LYS  12   2.955  -9.795  -0.666
   61   1HD   LYS  12          2HD       LYS  12   2.196 -12.236   0.771
   62   2HD   LYS  12          1HD       LYS  12   1.722 -12.263  -0.927
   63   1HE   LYS  12          2HE       LYS  12   3.888 -12.969  -1.242
   64   2HE   LYS  12          1HE       LYS  12   4.259 -11.238  -1.118
   65   1HZ   LYS  12          1HZ       LYS  12   4.424 -11.524   1.308
   66   2HZ   LYS  12          2HZ       LYS  12   5.580 -12.448   0.475
   67   3HZ   LYS  12          3HZ       LYS  12   4.198 -13.194   1.121
   68    H    SER  13           H        SER  13   4.075  -6.806   2.623
   69    HA   SER  13           HA       SER  13   2.423  -6.141   4.919
   70   1HB   SER  13          2HB       SER  13   3.110  -8.600   5.215
   71   2HB   SER  13          1HB       SER  13   4.758  -8.015   5.408
   72    HG   SER  13           HG       SER  13   2.506  -7.657   7.045
   73    H    THR  14           H        THR  14   3.860  -4.521   3.149
   74    HA   THR  14           HA       THR  14   6.484  -3.850   4.294
   75    HB   THR  14           HB       THR  14   5.712  -3.753   1.838
   76    HG1  THR  14           1HG      THR  14   7.398  -2.545   1.665
   77   1HG2  THR  14          1HG2      THR  14   4.398  -1.968   1.089
   78   2HG2  THR  14          2HG2      THR  14   4.698  -1.011   2.541
   79   3HG2  THR  14          3HG2      THR  14   3.608  -2.396   2.607
   80    H    PHE  15           H        PHE  15   6.951  -1.696   5.191
   81    HA   PHE  15           HA       PHE  15   4.715  -0.676   6.860
   82   1HB   PHE  15          2HB       PHE  15   7.566  -1.024   7.071
   83   2HB   PHE  15          1HB       PHE  15   7.177   0.675   7.340
   84    HD1  PHE  15           1HD      PHE  15   4.835   0.936   8.766
   85    HD2  PHE  15           2HD      PHE  15   7.615  -2.333   8.990
   86    HE1  PHE  15           1HE      PHE  15   4.002   0.382  11.034
   87    HE2  PHE  15           2HE      PHE  15   6.782  -2.886  11.259
   88    HZ   PHE  15           HZ       PHE  15   4.973  -1.529  12.281
   89    H    CYS  16           H        CYS  16   3.574   1.060   6.126
   90    HA   CYS  16           HA       CYS  16   4.802   2.855   4.084
   91   1HB   CYS  16          2HB       CYS  16   2.322   1.593   4.387
   92   2HB   CYS  16          1HB       CYS  16   1.996   3.284   4.770
   93    H    CYS  17           H        CYS  17   3.467   5.197   4.456
   94    HA   CYS  17           HA       CYS  17   4.839   6.468   6.627
   95   1HB   CYS  17          2HB       CYS  17   2.551   7.221   4.796
   96   2HB   CYS  17          1HB       CYS  17   3.187   8.350   5.989
   97    H    SER  18           H        SER  18   1.346   6.863   6.368
   98    HA   SER  18           HA       SER  18   0.796   5.519   8.927
   99   1HB   SER  18          2HB       SER  18   0.022   7.718   9.937
  100   2HB   SER  18          1HB       SER  18   1.763   7.591   9.713
  101    HG   SER  18           HG       SER  18  -0.082   9.236   8.498
  102    H    GLY  19           H        GLY  19  -0.755   4.386   7.562
  103   1HA   GLY  19          2HA       GLY  19  -3.292   4.520   7.505
  104   2HA   GLY  19          1HA       GLY  19  -3.075   6.073   6.698
  105    H    TYR  20           H        TYR  20  -0.628   4.669   5.303
  106    HA   TYR  20           HA       TYR  20  -2.164   3.809   2.947
  107   1HB   TYR  20          2HB       TYR  20   0.773   4.151   3.609
  108   2HB   TYR  20          1HB       TYR  20   0.206   3.610   2.030
  109    HD1  TYR  20           1HD      TYR  20  -2.057   5.166   1.351
  110    HD2  TYR  20           2HD      TYR  20   1.409   6.384   3.574
  111    HE1  TYR  20           1HE      TYR  20  -2.468   7.520   0.696
  112    HE2  TYR  20           2HE      TYR  20   0.999   8.741   2.918
  113    HH   TYR  20           HH       TYR  20  -1.464  10.024   2.116
  114    H    ASN  21           H        ASN  21  -2.184   1.687   2.117
  115    HA   ASN  21           HA       ASN  21  -0.992  -0.438   3.865
  116   1HB   ASN  21          2HB       ASN  21  -3.367  -0.360   4.220
  117   2HB   ASN  21          1HB       ASN  21  -3.684  -0.194   2.495
  118   1HD2  ASN  21          1HD2      ASN  21  -2.336  -2.526   4.890
  119   2HD2  ASN  21          2HD2      ASN  21  -2.759  -3.909   4.001
  120    H    CYS  22           H        CYS  22  -0.324  -2.378   2.727
  121    HA   CYS  22           HA       CYS  22   0.600  -1.841  -0.028
  122   1HB   CYS  22          2HB       CYS  22   2.223  -2.809   1.381
  123   2HB   CYS  22          1HB       CYS  22   1.062  -3.911   2.117
  124    H    SER  23           H        SER  23  -0.306  -2.737  -1.839
  125    HA   SER  23           HA       SER  23  -2.671  -4.523  -1.493
  126   1HB   SER  23          2HB       SER  23  -2.459  -2.244  -2.844
  127   2HB   SER  23          1HB       SER  23  -1.790  -3.294  -4.089
  128    HG   SER  23           HG       SER  23  -4.362  -3.130  -3.056
  129    HA   PRO  24           HA       PRO  24  -0.129  -7.867  -2.953
  130   1HB   PRO  24          2HB       PRO  24  -2.127  -9.704  -3.289
  131   2HB   PRO  24          1HB       PRO  24  -1.475  -9.264  -1.697
  132   1HG   PRO  24          2HG       PRO  24  -3.984  -8.376  -3.024
  133   2HG   PRO  24          1HG       PRO  24  -3.676  -8.743  -1.320
  134   1HD   PRO  24          2HD       PRO  24  -3.815  -6.206  -2.329
  135   2HD   PRO  24          1HD       PRO  24  -2.890  -6.647  -0.877
  136    H    THR  25           H        THR  25  -2.978  -6.681  -4.674
  137    HA   THR  25           HA       THR  25  -2.248  -8.060  -7.181
  138    HB   THR  25           HB       THR  25  -4.382  -5.978  -6.616
  139    HG1  THR  25           1HG      THR  25  -4.380  -8.797  -6.321
  140   1HG2  THR  25          1HG2      THR  25  -3.747  -6.620  -9.022
  141   2HG2  THR  25          2HG2      THR  25  -5.446  -6.784  -8.581
  142   3HG2  THR  25          3HG2      THR  25  -4.412  -8.211  -8.650
  143    H    TRP  26           H        TRP  26  -2.181  -4.774  -5.829
  144    HA   TRP  26           HA       TRP  26  -1.139  -3.632  -8.354
  145   1HB   TRP  26          2HB       TRP  26  -1.459  -2.363  -5.618
  146   2HB   TRP  26          1HB       TRP  26  -1.323  -1.537  -7.161
  147    HD1  TRP  26           HD       TRP  26  -3.396  -3.794  -8.539
  148    HE1  TRP  26           1HE      TRP  26  -5.908  -3.388  -8.164
  149    HE3  TRP  26           3HE      TRP  26  -3.200  -0.661  -4.512
  150    HZ2  TRP  26           2HZ      TRP  26  -7.616  -1.926  -6.402
  151    HZ3  TRP  26           3HZ      TRP  26  -5.285   0.225  -3.508
  152    HH2  TRP  26           HH       TRP  26  -7.492  -0.404  -4.446
  153    H    LYS  27           H        LYS  27   0.135  -5.073  -5.495
  154    HA   LYS  27           HA       LYS  27   2.322  -5.386  -4.726
  155   1HB   LYS  27          2HB       LYS  27   2.608  -4.617  -7.610
  156   2HB   LYS  27          1HB       LYS  27   4.060  -4.766  -6.624
  157   1HG   LYS  27          2HG       LYS  27   1.945  -6.927  -6.735
  158   2HG   LYS  27          1HG       LYS  27   3.322  -6.888  -7.835
  159   1HD   LYS  27          2HD       LYS  27   4.556  -7.911  -6.256
  160   2HD   LYS  27          1HD       LYS  27   4.384  -6.475  -5.247
  161   1HE   LYS  27          2HE       LYS  27   3.505  -8.190  -3.875
  162   2HE   LYS  27          1HE       LYS  27   2.045  -7.516  -4.625
  163   1HZ   LYS  27          1HZ       LYS  27   2.134  -9.940  -4.852
  164   2HZ   LYS  27          2HZ       LYS  27   3.612  -9.815  -5.682
  165   3HZ   LYS  27          3HZ       LYS  27   2.192  -9.176  -6.364
  166    H    TRP  28           H        TRP  28   0.954  -2.556  -4.591
  167    HA   TRP  28           HA       TRP  28   3.411  -1.239  -3.584
  168   1HB   TRP  28          2HB       TRP  28   2.940   0.824  -4.814
  169   2HB   TRP  28          1HB       TRP  28   3.143  -0.517  -5.927
  170    HD1  TRP  28           HD       TRP  28   0.002   0.787  -4.023
  171    HE1  TRP  28           1HE      TRP  28  -1.874   1.121  -5.760
  172    HE3  TRP  28           3HE      TRP  28   2.490  -0.508  -8.272
  173    HZ2  TRP  28           2HZ      TRP  28  -2.265   0.880  -8.580
  174    HZ3  TRP  28           3HZ      TRP  28   1.354  -0.447 -10.474
  175    HH2  TRP  28           HH       TRP  28  -1.022   0.245 -10.633
  176    H    CYS  29           H        CYS  29   2.819   0.804  -2.328
  177    HA   CYS  29           HA       CYS  29   0.689   0.160  -0.441
  178   1HB   CYS  29          2HB       CYS  29   3.099   1.397  -0.328
  179   2HB   CYS  29          1HB       CYS  29   2.042   2.804  -0.415
  180    H    VAL  30           H        VAL  30  -1.175   1.435  -0.017
  181    HA   VAL  30           HA       VAL  30  -1.885   3.662  -1.852
  182    HB   VAL  30           HB       VAL  30  -4.095   2.451  -2.282
  183   1HG1  VAL  30          1HG1      VAL  30  -1.868   0.778  -3.378
  184   2HG1  VAL  30          2HG1      VAL  30  -1.902   2.499  -3.764
  185   3HG1  VAL  30          3HG1      VAL  30  -3.263   1.469  -4.205
  186   1HG2  VAL  30          1HG2      VAL  30  -4.360   0.196  -1.727
  187   2HG2  VAL  30          2HG2      VAL  30  -3.479   0.796  -0.321
  188   3HG2  VAL  30          3HG2      VAL  30  -2.623  -0.079  -1.592
  189    H    TYR  31           H        TYR  31  -4.138   4.559  -1.090
  190    HA   TYR  31           HA       TYR  31  -4.015   5.056   1.759
  191   1HB   TYR  31          2HB       TYR  31  -4.929   6.525  -0.141
  192   2HB   TYR  31          1HB       TYR  31  -6.373   5.511  -0.088
  193    HD1  TYR  31           1HD      TYR  31  -4.089   7.175   2.397
  194    HD2  TYR  31           2HD      TYR  31  -8.129   6.362   1.182
  195    HE1  TYR  31           1HE      TYR  31  -4.931   8.478   4.329
  196    HE2  TYR  31           2HE      TYR  31  -8.971   7.666   3.115
  197    HH   TYR  31           HH       TYR  31  -7.325   9.817   4.735
  198    H    ALA  32           H        ALA  32  -5.071   3.988   3.420
  199    HA   ALA  32           HA       ALA  32  -6.521   1.496   2.756
  200   1HB   ALA  32          1HB       ALA  32  -5.748   2.756   5.410
  201   2HB   ALA  32          2HB       ALA  32  -4.729   1.647   4.492
  202   3HB   ALA  32          3HB       ALA  32  -6.261   1.087   5.163
  203    H    ARG  33           H        ARG  33  -8.633   1.945   2.148
  204    HA   ARG  33           HA       ARG  33 -10.340   3.362   4.154
  205   1HB   ARG  33          2HB       ARG  33 -11.426   4.542   2.227
  206   2HB   ARG  33          1HB       ARG  33  -9.728   4.974   2.420
  207   1HG   ARG  33          2HG       ARG  33  -9.155   4.074   0.419
  208   2HG   ARG  33          1HG       ARG  33 -10.142   2.637   0.684
  209   1HD   ARG  33          2HD       ARG  33 -12.185   4.059   0.173
  210   2HD   ARG  33          1HD       ARG  33 -11.068   5.339  -0.342
  211    HE   ARG  33           HE       ARG  33 -10.214   3.816  -2.074
  212   1HH1  ARG  33          1HH2      ARG  33 -13.061   3.903  -2.809
  213   2HH1  ARG  33          2HH2      ARG  33 -13.506   2.231  -2.876
  214   1HH2  ARG  33          1HH1      ARG  33 -10.738   1.148  -1.074
  215   2HH2  ARG  33          2HH1      ARG  33 -12.187   0.668  -1.890
  216    HA   PRO  34           HA       PRO  34 -13.124   0.036   3.416
  217   1HB   PRO  34          2HB       PRO  34 -15.549   1.254   3.790
  218   2HB   PRO  34          1HB       PRO  34 -14.440   0.874   5.122
  219   1HG   PRO  34          2HG       PRO  34 -14.919   3.465   3.739
  220   2HG   PRO  34          1HG       PRO  34 -14.629   3.137   5.455
  221   1HD   PRO  34          2HD       PRO  34 -12.718   4.094   3.764
  222   2HD   PRO  34          1HD       PRO  34 -12.355   3.115   5.201
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1  11.438   5.907   4.368
    2   2H    GLY   1          2HT       GLY   1  10.956   4.563   3.447
    3   3H    GLY   1          3HT       GLY   1  12.407   4.516   4.330
    4   1HA   GLY   1          2HA       GLY   1  10.928   3.274   5.618
    5   2HA   GLY   1          1HA       GLY   1  10.993   4.859   6.392
    6    H    CYS   2           H        CYS   2   9.351   6.472   5.178
    7    HA   CYS   2           HA       CYS   2   6.688   5.375   5.640
    8   1HB   CYS   2          2HB       CYS   2   7.922   7.841   5.729
    9   2HB   CYS   2          1HB       CYS   2   6.960   7.965   4.256
   10    H    GLY   3           H        GLY   3   5.184   4.748   4.083
   11   1HA   GLY   3          2HA       GLY   3   6.175   4.400   1.323
   12   2HA   GLY   3          1HA       GLY   3   4.691   3.712   1.983
   13    H    GLY   4           H        GLY   4   3.129   4.497   0.601
   14   1HA   GLY   4          2HA       GLY   4   2.190   7.158   0.835
   15   2HA   GLY   4          1HA       GLY   4   3.180   7.086  -0.621
   16    H    LEU   5           H        LEU   5   1.565   7.236  -2.166
   17    HA   LEU   5           HA       LEU   5  -0.788   5.431  -2.014
   18   1HB   LEU   5          2HB       LEU   5  -0.241   8.036  -2.938
   19   2HB   LEU   5          1HB       LEU   5  -0.565   7.084  -4.389
   20    HG   LEU   5           HG       LEU   5  -2.352   6.914  -1.963
   21   1HD1  LEU   5          1HD1      LEU   5  -3.669   8.699  -2.712
   22   2HD1  LEU   5          2HD1      LEU   5  -2.972   8.663  -4.331
   23   3HD1  LEU   5          3HD1      LEU   5  -2.035   9.302  -2.981
   24   1HD2  LEU   5          1HD2      LEU   5  -3.159   5.263  -3.296
   25   2HD2  LEU   5          2HD2      LEU   5  -2.284   5.855  -4.708
   26   3HD2  LEU   5          3HD2      LEU   5  -3.835   6.570  -4.268
   27    H    MET   6           H        MET   6   2.339   5.441  -3.451
   28    HA   MET   6           HA       MET   6   1.631   3.045  -5.048
   29   1HB   MET   6          2HB       MET   6   2.519   5.721  -6.089
   30   2HB   MET   6          1HB       MET   6   3.042   4.264  -6.936
   31   1HG   MET   6          2HG       MET   6   0.420   3.683  -6.630
   32   2HG   MET   6          1HG       MET   6   0.325   5.443  -6.702
   33   1HE   MET   6          1HE       MET   6  -0.521   3.539 -10.178
   34   2HE   MET   6          2HE       MET   6  -1.223   4.730  -9.086
   35   3HE   MET   6          3HE       MET   6  -0.795   3.133  -8.478
   36    H    ALA   7           H        ALA   7   3.280   3.604  -2.624
   37    HA   ALA   7           HA       ALA   7   6.094   3.527  -3.367
   38   1HB   ALA   7          1HB       ALA   7   6.089   4.135  -1.187
   39   2HB   ALA   7          2HB       ALA   7   5.711   2.462  -0.779
   40   3HB   ALA   7          3HB       ALA   7   4.409   3.630  -1.006
   41    H    GLY   8           H        GLY   8   7.470   1.682  -3.404
   42   1HA   GLY   8          2HA       GLY   8   6.334  -0.783  -4.321
   43   2HA   GLY   8          1HA       GLY   8   8.014  -0.564  -3.828
   44    H    CYS   9           H        CYS   9   5.377  -2.359  -3.135
   45    HA   CYS   9           HA       CYS   9   5.611  -2.329  -0.185
   46   1HB   CYS   9          2HB       CYS   9   3.406  -2.502  -1.147
   47   2HB   CYS   9          1HB       CYS   9   3.913  -3.820  -2.203
   48    H    ASP  10           H        ASP  10   5.509  -5.057  -2.484
   49    HA   ASP  10           HA       ASP  10   6.793  -7.025  -2.624
   50   1HB   ASP  10          2HB       ASP  10   8.507  -5.038  -2.704
   51   2HB   ASP  10          1HB       ASP  10   8.936  -5.575  -1.080
   52    H    GLY  11           H        GLY  11   5.658  -8.426  -1.238
   53   1HA   GLY  11          2HA       GLY  11   6.396  -9.909   0.715
   54   2HA   GLY  11          1HA       GLY  11   6.483  -8.412   1.639
   55    H    LYS  12           H        LYS  12   3.928  -7.706  -0.165
   56    HA   LYS  12           HA       LYS  12   1.597  -7.737   0.169
   57   1HB   LYS  12          2HB       LYS  12   2.109 -10.467   1.378
   58   2HB   LYS  12          1HB       LYS  12   0.660  -9.916   0.544
   59   1HG   LYS  12          2HG       LYS  12   1.932  -9.729  -1.561
   60   2HG   LYS  12          1HG       LYS  12   3.391 -10.266  -0.732
   61   1HD   LYS  12          2HD       LYS  12   0.839 -11.862  -1.109
   62   2HD   LYS  12          1HD       LYS  12   2.391 -12.166  -1.886
   63   1HE   LYS  12          2HE       LYS  12   1.839 -12.346   1.104
   64   2HE   LYS  12          1HE       LYS  12   2.111 -13.710   0.006
   65   1HZ   LYS  12          1HZ       LYS  12   4.016 -11.591   0.806
   66   2HZ   LYS  12          2HZ       LYS  12   4.253 -12.497  -0.612
   67   3HZ   LYS  12          3HZ       LYS  12   4.210 -13.272   0.899
   68    H    SER  13           H        SER  13   3.612  -7.061   2.465
   69    HA   SER  13           HA       SER  13   1.611  -6.485   4.496
   70   1HB   SER  13          2HB       SER  13   2.322  -9.039   4.564
   71   2HB   SER  13          1HB       SER  13   3.749  -8.409   5.381
   72    HG   SER  13           HG       SER  13   1.154  -8.630   6.248
   73    H    THR  14           H        THR  14   3.464  -4.863   3.112
   74    HA   THR  14           HA       THR  14   5.850  -4.419   4.761
   75    HB   THR  14           HB       THR  14   5.565  -4.128   2.232
   76    HG1  THR  14           1HG      THR  14   7.187  -2.778   2.325
   77   1HG2  THR  14          1HG2      THR  14   3.374  -2.783   2.644
   78   2HG2  THR  14          2HG2      THR  14   4.466  -2.239   1.371
   79   3HG2  THR  14          3HG2      THR  14   4.452  -1.418   2.932
   80    H    PHE  15           H        PHE  15   6.272  -2.205   5.693
   81    HA   PHE  15           HA       PHE  15   3.811  -1.154   7.032
   82   1HB   PHE  15          2HB       PHE  15   6.489  -1.859   7.831
   83   2HB   PHE  15          1HB       PHE  15   6.223  -0.148   8.172
   84    HD1  PHE  15           1HD      PHE  15   3.901  -3.099   8.207
   85    HD2  PHE  15           2HD      PHE  15   5.725   0.083  10.445
   86    HE1  PHE  15           1HE      PHE  15   2.529  -3.703  10.181
   87    HE2  PHE  15           2HE      PHE  15   4.353  -0.521  12.421
   88    HZ   PHE  15           HZ       PHE  15   2.755  -2.414  12.289
   89    H    CYS  16           H        CYS  16   3.048   0.510   5.747
   90    HA   CYS  16           HA       CYS  16   4.887   2.339   4.347
   91   1HB   CYS  16          2HB       CYS  16   1.865   2.246   4.641
   92   2HB   CYS  16          1HB       CYS  16   2.747   3.243   3.483
   93    H    CYS  17           H        CYS  17   2.824   4.570   4.816
   94    HA   CYS  17           HA       CYS  17   4.205   5.855   7.031
   95   1HB   CYS  17          2HB       CYS  17   1.939   6.499   5.144
   96   2HB   CYS  17          1HB       CYS  17   2.320   7.587   6.479
   97    H    SER  18           H        SER  18   0.796   6.408   7.003
   98    HA   SER  18           HA       SER  18   0.318   4.617   9.337
   99   1HB   SER  18          2HB       SER  18   0.310   7.631   9.250
  100   2HB   SER  18          1HB       SER  18  -0.699   6.777  10.413
  101    HG   SER  18           HG       SER  18   1.057   6.040  11.414
  102    H    GLY  19           H        GLY  19  -0.884   3.870   7.152
  103   1HA   GLY  19          2HA       GLY  19  -3.586   3.787   7.433
  104   2HA   GLY  19          1HA       GLY  19  -3.378   5.343   6.627
  105    H    TYR  20           H        TYR  20  -1.290   4.794   4.885
  106    HA   TYR  20           HA       TYR  20  -2.553   3.610   2.641
  107   1HB   TYR  20          2HB       TYR  20   0.396   3.878   3.336
  108   2HB   TYR  20          1HB       TYR  20  -0.237   3.603   1.716
  109    HD1  TYR  20           1HD      TYR  20  -2.742   5.389   2.073
  110    HD2  TYR  20           2HD      TYR  20   1.425   6.020   2.891
  111    HE1  TYR  20           1HE      TYR  20  -3.057   7.828   1.774
  112    HE2  TYR  20           2HE      TYR  20   1.111   8.462   2.595
  113    HH   TYR  20           HH       TYR  20  -1.150   9.851   1.058
  114    H    ASN  21           H        ASN  21  -2.922   1.482   2.122
  115    HA   ASN  21           HA       ASN  21  -1.548  -0.631   3.737
  116   1HB   ASN  21          2HB       ASN  21  -4.156  -0.196   3.463
  117   2HB   ASN  21          1HB       ASN  21  -3.925  -1.101   1.968
  118   1HD2  ASN  21          1HD2      ASN  21  -5.465  -2.589   3.434
  119   2HD2  ASN  21          2HD2      ASN  21  -4.654  -3.758   4.360
  120    H    CYS  22           H        CYS  22  -0.864  -2.595   2.570
  121    HA   CYS  22           HA       CYS  22   0.325  -1.947  -0.058
  122   1HB   CYS  22          2HB       CYS  22   1.765  -2.983   1.523
  123   2HB   CYS  22          1HB       CYS  22   0.546  -4.171   1.977
  124    H    SER  23           H        SER  23  -0.456  -2.722  -1.987
  125    HA   SER  23           HA       SER  23  -2.856  -4.485  -1.953
  126   1HB   SER  23          2HB       SER  23  -1.889  -2.260  -3.488
  127   2HB   SER  23          1HB       SER  23  -2.075  -3.633  -4.574
  128    HG   SER  23           HG       SER  23  -4.161  -3.493  -4.349
  129    HA   PRO  24           HA       PRO  24  -0.141  -7.851  -3.042
  130   1HB   PRO  24          2HB       PRO  24  -2.089  -9.729  -3.450
  131   2HB   PRO  24          1HB       PRO  24  -1.554  -9.219  -1.836
  132   1HG   PRO  24          2HG       PRO  24  -3.975  -8.425  -3.367
  133   2HG   PRO  24          1HG       PRO  24  -3.781  -8.715  -1.633
  134   1HD   PRO  24          2HD       PRO  24  -3.884  -6.226  -2.763
  135   2HD   PRO  24          1HD       PRO  24  -3.066  -6.585  -1.227
  136    H    THR  25           H        THR  25  -2.802  -6.696  -5.034
  137    HA   THR  25           HA       THR  25  -1.943  -8.227  -7.406
  138    HB   THR  25           HB       THR  25  -4.019  -6.040  -7.046
  139    HG1  THR  25           1HG      THR  25  -4.939  -7.545  -5.911
  140   1HG2  THR  25          1HG2      THR  25  -5.036  -7.281  -9.041
  141   2HG2  THR  25          2HG2      THR  25  -3.469  -8.069  -9.214
  142   3HG2  THR  25          3HG2      THR  25  -3.596  -6.317  -9.371
  143    H    TRP  26           H        TRP  26  -1.628  -4.950  -6.119
  144    HA   TRP  26           HA       TRP  26  -0.370  -4.007  -8.651
  145   1HB   TRP  26          2HB       TRP  26  -1.020  -2.524  -6.086
  146   2HB   TRP  26          1HB       TRP  26  -0.634  -1.811  -7.647
  147    HD1  TRP  26           HD       TRP  26  -2.529  -4.145  -9.152
  148    HE1  TRP  26           1HE      TRP  26  -5.060  -3.683  -9.194
  149    HE3  TRP  26           3HE      TRP  26  -2.864  -0.715  -5.392
  150    HZ2  TRP  26           2HZ      TRP  26  -6.978  -2.066  -7.823
  151    HZ3  TRP  26           3HZ      TRP  26  -5.055   0.272  -4.778
  152    HH2  TRP  26           HH       TRP  26  -7.111  -0.400  -5.989
  153    H    LYS  27           H        LYS  27   0.524  -5.194  -5.532
  154    HA   LYS  27           HA       LYS  27   2.632  -5.539  -4.562
  155   1HB   LYS  27          2HB       LYS  27   3.010  -5.836  -7.168
  156   2HB   LYS  27          1HB       LYS  27   3.931  -4.344  -6.987
  157   1HG   LYS  27          2HG       LYS  27   4.600  -6.160  -4.844
  158   2HG   LYS  27          1HG       LYS  27   4.792  -6.975  -6.395
  159   1HD   LYS  27          2HD       LYS  27   5.995  -4.756  -7.112
  160   2HD   LYS  27          1HD       LYS  27   6.177  -4.509  -5.376
  161   1HE   LYS  27          2HE       LYS  27   8.139  -5.698  -5.890
  162   2HE   LYS  27          1HE       LYS  27   7.046  -7.017  -5.423
  163   1HZ   LYS  27          1HZ       LYS  27   7.348  -6.001  -8.202
  164   2HZ   LYS  27          2HZ       LYS  27   6.448  -7.355  -7.702
  165   3HZ   LYS  27          3HZ       LYS  27   8.144  -7.375  -7.605
  166    H    TRP  28           H        TRP  28   1.251  -2.637  -4.779
  167    HA   TRP  28           HA       TRP  28   3.581  -1.303  -3.472
  168   1HB   TRP  28          2HB       TRP  28   3.173   0.743  -4.718
  169   2HB   TRP  28          1HB       TRP  28   3.377  -0.579  -5.855
  170    HD1  TRP  28           HD       TRP  28   0.289   0.920  -3.998
  171    HE1  TRP  28           1HE      TRP  28  -1.592   1.210  -5.735
  172    HE3  TRP  28           3HE      TRP  28   2.673  -0.795  -8.165
  173    HZ2  TRP  28           2HZ      TRP  28  -2.027   0.770  -8.531
  174    HZ3  TRP  28           3HZ      TRP  28   1.511  -0.850 -10.351
  175    HH2  TRP  28           HH       TRP  28  -0.835  -0.070 -10.540
  176    H    CYS  29           H        CYS  29   2.865   0.621  -2.140
  177    HA   CYS  29           HA       CYS  29   0.538  -0.119  -0.529
  178   1HB   CYS  29          2HB       CYS  29   2.914   0.984   0.016
  179   2HB   CYS  29          1HB       CYS  29   1.996   2.473  -0.212
  180    H    VAL  30           H        VAL  30  -1.462   0.831  -0.574
  181    HA   VAL  30           HA       VAL  30  -1.931   3.067  -2.520
  182    HB   VAL  30           HB       VAL  30  -4.210   2.080  -2.668
  183   1HG1  VAL  30          1HG1      VAL  30  -3.054   1.079  -4.356
  184   2HG1  VAL  30          2HG1      VAL  30  -3.226  -0.358  -3.349
  185   3HG1  VAL  30          3HG1      VAL  30  -1.734   0.580  -3.298
  186   1HG2  VAL  30          1HG2      VAL  30  -3.334  -0.337  -1.150
  187   2HG2  VAL  30          2HG2      VAL  30  -4.948   0.351  -1.330
  188   3HG2  VAL  30          3HG2      VAL  30  -3.799   1.077  -0.206
  189    H    TYR  31           H        TYR  31  -4.418   3.868  -1.694
  190    HA   TYR  31           HA       TYR  31  -3.826   5.233   0.859
  191   1HB   TYR  31          2HB       TYR  31  -5.840   6.548   0.239
  192   2HB   TYR  31          1HB       TYR  31  -4.684   6.475  -1.088
  193    HD1  TYR  31           1HD      TYR  31  -7.783   4.862   0.243
  194    HD2  TYR  31           2HD      TYR  31  -5.312   5.597  -3.191
  195    HE1  TYR  31           1HE      TYR  31  -9.527   3.880  -1.220
  196    HE2  TYR  31           2HE      TYR  31  -7.055   4.614  -4.656
  197    HH   TYR  31           HH       TYR  31  -9.950   4.344  -4.139
  198    H    ALA  32           H        ALA  32  -5.597   5.346   2.538
  199    HA   ALA  32           HA       ALA  32  -6.875   2.659   2.878
  200   1HB   ALA  32          1HB       ALA  32  -5.918   2.858   4.916
  201   2HB   ALA  32          2HB       ALA  32  -6.976   4.230   5.244
  202   3HB   ALA  32          3HB       ALA  32  -5.385   4.495   4.533
  203    H    ARG  33           H        ARG  33  -8.885   3.135   4.600
  204    HA   ARG  33           HA       ARG  33 -10.641   5.141   3.214
  205   1HB   ARG  33          2HB       ARG  33 -10.891   2.291   3.902
  206   2HB   ARG  33          1HB       ARG  33 -12.287   3.248   4.393
  207   1HG   ARG  33          2HG       ARG  33 -12.995   3.090   2.256
  208   2HG   ARG  33          1HG       ARG  33 -11.694   4.207   1.845
  209   1HD   ARG  33          2HD       ARG  33 -10.644   2.581   0.672
  210   2HD   ARG  33          1HD       ARG  33 -10.607   1.541   2.111
  211    HE   ARG  33           HE       ARG  33 -12.996   1.727   0.307
  212   1HH1  ARG  33          1HH1      ARG  33 -12.724   0.402   3.179
  213   2HH1  ARG  33          2HH1      ARG  33 -12.717  -1.264   2.707
  214   1HH2  ARG  33          1HH2      ARG  33 -12.174  -0.585  -0.655
  215   2HH2  ARG  33          2HH2      ARG  33 -12.406  -1.823   0.533
  216    HA   PRO  34           HA       PRO  34 -10.238   6.180   7.753
  217   1HB   PRO  34          2HB       PRO  34  -9.623   8.824   7.397
  218   2HB   PRO  34          1HB       PRO  34  -8.397   7.542   7.449
  219   1HG   PRO  34          2HG       PRO  34  -9.579   8.933   5.098
  220   2HG   PRO  34          1HG       PRO  34  -7.909   8.416   5.382
  221   1HD   PRO  34          2HD       PRO  34  -9.650   7.049   3.796
  222   2HD   PRO  34          1HD       PRO  34  -8.311   6.277   4.674
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1  10.802   9.651   3.128
    2   2H    GLY   1          2HT       GLY   1   9.194   9.104   3.120
    3   3H    GLY   1          3HT       GLY   1  10.435   8.109   2.524
    4   1HA   GLY   1          2HA       GLY   1  11.412   7.959   4.732
    5   2HA   GLY   1          1HA       GLY   1  10.109   8.978   5.345
    6    H    CYS   2           H        CYS   2   7.846   8.128   4.926
    7    HA   CYS   2           HA       CYS   2   7.773   5.221   5.538
    8   1HB   CYS   2          2HB       CYS   2   5.539   5.736   6.331
    9   2HB   CYS   2          1HB       CYS   2   6.619   7.006   6.904
   10    H    GLY   3           H        GLY   3   5.362   4.410   4.595
   11   1HA   GLY   3          2HA       GLY   3   5.821   4.153   1.723
   12   2HA   GLY   3          1HA       GLY   3   4.507   3.406   2.634
   13    H    GLY   4           H        GLY   4   3.780   4.421   0.245
   14   1HA   GLY   4          2HA       GLY   4   2.095   6.731   1.021
   15   2HA   GLY   4          1HA       GLY   4   3.149   6.950  -0.375
   16    H    LEU   5           H        LEU   5   2.130   6.588  -2.277
   17    HA   LEU   5           HA       LEU   5  -0.200   4.706  -2.309
   18   1HB   LEU   5          2HB       LEU   5   0.067   7.361  -3.039
   19   2HB   LEU   5          1HB       LEU   5   0.180   6.518  -4.585
   20    HG   LEU   5           HG       LEU   5  -1.930   5.495  -2.791
   21   1HD1  LEU   5          1HD1      LEU   5  -3.456   7.367  -3.189
   22   2HD1  LEU   5          2HD1      LEU   5  -2.187   8.249  -4.038
   23   3HD1  LEU   5          3HD1      LEU   5  -2.036   7.931  -2.309
   24   1HD2  LEU   5          1HD2      LEU   5  -3.149   5.359  -4.861
   25   2HD2  LEU   5          2HD2      LEU   5  -1.491   4.876  -5.216
   26   3HD2  LEU   5          3HD2      LEU   5  -2.050   6.491  -5.651
   27    H    MET   6           H        MET   6   2.996   4.536  -3.026
   28    HA   MET   6           HA       MET   6   2.528   2.509  -5.138
   29   1HB   MET   6          2HB       MET   6   3.163   5.099  -5.809
   30   2HB   MET   6          1HB       MET   6   4.758   4.352  -5.725
   31   1HG   MET   6          2HG       MET   6   4.301   3.708  -7.861
   32   2HG   MET   6          1HG       MET   6   3.372   2.431  -7.077
   33   1HE   MET   6          1HE       MET   6   3.212   6.056  -8.661
   34   2HE   MET   6          2HE       MET   6   1.983   5.615  -9.843
   35   3HE   MET   6          3HE       MET   6   3.464   4.667  -9.726
   36    H    ALA   7           H        ALA   7   3.486   2.547  -2.275
   37    HA   ALA   7           HA       ALA   7   6.366   2.045  -2.318
   38   1HB   ALA   7          1HB       ALA   7   4.982   0.866  -0.075
   39   2HB   ALA   7          2HB       ALA   7   4.275   2.440  -0.434
   40   3HB   ALA   7          3HB       ALA   7   6.001   2.305  -0.102
   41    H    GLY   8           H        GLY   8   7.238   0.205  -3.180
   42   1HA   GLY   8          2HA       GLY   8   5.900  -2.027  -4.170
   43   2HA   GLY   8          1HA       GLY   8   7.570  -2.082  -3.615
   44    H    CYS   9           H        CYS   9   4.840  -3.710  -3.272
   45    HA   CYS   9           HA       CYS   9   5.085  -4.155  -0.320
   46   1HB   CYS   9          2HB       CYS   9   2.912  -3.450  -1.589
   47   2HB   CYS   9          1HB       CYS   9   2.874  -5.129  -2.126
   48    H    ASP  10           H        ASP  10   6.772  -5.329  -2.637
   49    HA   ASP  10           HA       ASP  10   6.113  -8.096  -2.990
   50   1HB   ASP  10          2HB       ASP  10   7.742  -6.555  -4.250
   51   2HB   ASP  10          1HB       ASP  10   8.884  -6.878  -2.944
   52    H    GLY  11           H        GLY  11   7.535  -6.381  -0.290
   53   1HA   GLY  11          2HA       GLY  11   8.840  -8.696   0.899
   54   2HA   GLY  11          1HA       GLY  11   8.551  -7.149   1.692
   55    H    LYS  12           H        LYS  12   5.591  -7.935   0.512
   56    HA   LYS  12           HA       LYS  12   3.622  -8.790   1.461
   57   1HB   LYS  12          2HB       LYS  12   5.642 -10.687   2.713
   58   2HB   LYS  12          1HB       LYS  12   3.908 -10.974   2.596
   59   1HG   LYS  12          2HG       LYS  12   3.979 -11.130   0.226
   60   2HG   LYS  12          1HG       LYS  12   5.592 -10.424   0.149
   61   1HD   LYS  12          2HD       LYS  12   5.442 -12.851   1.808
   62   2HD   LYS  12          1HD       LYS  12   5.055 -13.127   0.112
   63   1HE   LYS  12          2HE       LYS  12   7.394 -13.373   0.112
   64   2HE   LYS  12          1HE       LYS  12   7.222 -11.660  -0.314
   65   1HZ   LYS  12          1HZ       LYS  12   8.727 -12.353   1.680
   66   2HZ   LYS  12          2HZ       LYS  12   7.259 -12.435   2.526
   67   3HZ   LYS  12          3HZ       LYS  12   7.745 -10.979   1.800
   68    H    SER  13           H        SER  13   5.385  -6.753   2.971
   69    HA   SER  13           HA       SER  13   3.725  -6.490   5.317
   70   1HB   SER  13          2HB       SER  13   5.312  -8.511   5.749
   71   2HB   SER  13          1HB       SER  13   6.573  -7.295   5.927
   72    HG   SER  13           HG       SER  13   4.401  -7.889   7.547
   73    H    THR  14           H        THR  14   4.750  -4.756   3.189
   74    HA   THR  14           HA       THR  14   6.910  -3.100   4.198
   75    HB   THR  14           HB       THR  14   6.364  -3.247   1.818
   76    HG1  THR  14           1HG      THR  14   6.523  -1.117   1.407
   77   1HG2  THR  14          1HG2      THR  14   4.011  -1.635   1.656
   78   2HG2  THR  14          2HG2      THR  14   3.678  -2.971   2.756
   79   3HG2  THR  14          3HG2      THR  14   4.233  -3.296   1.115
   80    H    PHE  15           H        PHE  15   6.591  -2.120   6.178
   81    HA   PHE  15           HA       PHE  15   4.029  -1.211   7.160
   82   1HB   PHE  15          2HB       PHE  15   6.807  -1.386   7.998
   83   2HB   PHE  15          1HB       PHE  15   6.111   0.155   8.492
   84    HD1  PHE  15           1HD      PHE  15   4.610  -3.271   8.135
   85    HD2  PHE  15           2HD      PHE  15   5.523   0.015  10.751
   86    HE1  PHE  15           1HE      PHE  15   3.400  -4.402   9.980
   87    HE2  PHE  15           2HE      PHE  15   4.313  -1.118  12.596
   88    HZ   PHE  15           HZ       PHE  15   3.251  -3.327  12.209
   89    H    CYS  16           H        CYS  16   3.001   0.359   5.939
   90    HA   CYS  16           HA       CYS  16   4.463   2.553   4.659
   91   1HB   CYS  16          2HB       CYS  16   1.502   1.996   5.053
   92   2HB   CYS  16          1HB       CYS  16   2.179   3.175   3.928
   93    H    CYS  17           H        CYS  17   2.836   4.757   5.078
   94    HA   CYS  17           HA       CYS  17   3.814   5.852   7.533
   95   1HB   CYS  17          2HB       CYS  17   2.419   6.666   5.188
   96   2HB   CYS  17          1HB       CYS  17   1.494   7.246   6.572
   97    H    SER  18           H        SER  18   0.362   5.357   6.701
   98    HA   SER  18           HA       SER  18  -0.277   3.974   9.166
   99   1HB   SER  18          2HB       SER  18  -0.036   6.858   9.183
  100   2HB   SER  18          1HB       SER  18  -1.691   6.389   9.562
  101    HG   SER  18           HG       SER  18  -0.999   5.311  11.305
  102    H    GLY  19           H        GLY  19  -1.587   6.244   6.741
  103   1HA   GLY  19          2HA       GLY  19  -4.121   4.680   6.693
  104   2HA   GLY  19          1HA       GLY  19  -3.925   6.310   6.053
  105    H    TYR  20           H        TYR  20  -1.585   3.754   5.453
  106    HA   TYR  20           HA       TYR  20  -2.477   3.691   2.581
  107   1HB   TYR  20          2HB       TYR  20   0.275   3.720   3.859
  108   2HB   TYR  20          1HB       TYR  20   0.010   3.383   2.151
  109    HD1  TYR  20           1HD      TYR  20   0.885   5.905   4.347
  110    HD2  TYR  20           2HD      TYR  20  -1.774   5.172   1.055
  111    HE1  TYR  20           1HE      TYR  20   0.799   8.337   3.877
  112    HE2  TYR  20           2HE      TYR  20  -1.862   7.605   0.585
  113    HH   TYR  20           HH       TYR  20  -1.278   9.866   2.481
  114    H    ASN  21           H        ASN  21  -3.166   1.649   2.040
  115    HA   ASN  21           HA       ASN  21  -2.049  -0.709   3.529
  116   1HB   ASN  21          2HB       ASN  21  -4.624   0.128   3.256
  117   2HB   ASN  21          1HB       ASN  21  -4.494  -0.926   1.848
  118   1HD2  ASN  21          1HD2      ASN  21  -4.310  -3.214   2.209
  119   2HD2  ASN  21          2HD2      ASN  21  -4.422  -3.907   3.754
  120    H    CYS  22           H        CYS  22  -1.903  -2.748   2.095
  121    HA   CYS  22           HA       CYS  22  -0.570  -2.020  -0.449
  122   1HB   CYS  22          2HB       CYS  22  -0.721  -4.344   1.414
  123   2HB   CYS  22          1HB       CYS  22  -0.328  -4.693  -0.269
  124    H    SER  23           H        SER  23  -1.287  -2.668  -2.500
  125    HA   SER  23           HA       SER  23  -4.147  -3.410  -2.725
  126   1HB   SER  23          2HB       SER  23  -2.481  -1.693  -4.065
  127   2HB   SER  23          1HB       SER  23  -2.463  -3.088  -5.138
  128    HG   SER  23           HG       SER  23  -4.522  -1.359  -4.466
  129    HA   PRO  24           HA       PRO  24  -3.220  -7.638  -3.596
  130   1HB   PRO  24          2HB       PRO  24  -5.525  -8.343  -4.882
  131   2HB   PRO  24          1HB       PRO  24  -5.439  -8.074  -3.131
  132   1HG   PRO  24          2HG       PRO  24  -6.485  -6.301  -5.269
  133   2HG   PRO  24          1HG       PRO  24  -7.054  -6.529  -3.609
  134   1HD   PRO  24          2HD       PRO  24  -5.540  -4.394  -4.465
  135   2HD   PRO  24          1HD       PRO  24  -5.646  -4.948  -2.781
  136    H    THR  25           H        THR  25  -4.083  -5.430  -6.209
  137    HA   THR  25           HA       THR  25  -2.924  -7.340  -8.206
  138    HB   THR  25           HB       THR  25  -4.700  -4.909  -8.593
  139    HG1  THR  25           1HG      THR  25  -6.102  -6.251  -7.776
  140   1HG2  THR  25          1HG2      THR  25  -3.266  -5.672 -10.537
  141   2HG2  THR  25          2HG2      THR  25  -5.002  -5.715 -10.838
  142   3HG2  THR  25          3HG2      THR  25  -4.133  -7.207 -10.480
  143    H    TRP  26           H        TRP  26  -2.654  -4.045  -6.923
  144    HA   TRP  26           HA       TRP  26  -0.705  -3.203  -8.945
  145   1HB   TRP  26          2HB       TRP  26  -1.459  -1.982  -6.272
  146   2HB   TRP  26          1HB       TRP  26  -0.632  -1.169  -7.594
  147    HD1  TRP  26           HD       TRP  26  -2.780  -2.956  -9.619
  148    HE1  TRP  26           1HE      TRP  26  -5.050  -1.816 -10.037
  149    HE3  TRP  26           3HE      TRP  26  -2.794   0.413  -5.791
  150    HZ2  TRP  26           2HZ      TRP  26  -6.659   0.258  -8.905
  151    HZ3  TRP  26           3HZ      TRP  26  -4.703   1.960  -5.482
  152    HH2  TRP  26           HH       TRP  26  -6.635   1.887  -7.034
  153    H    LYS  27           H        LYS  27  -0.568  -4.849  -5.883
  154    HA   LYS  27           HA       LYS  27   1.245  -5.785  -4.723
  155   1HB   LYS  27          2HB       LYS  27   1.932  -5.598  -7.461
  156   2HB   LYS  27          1HB       LYS  27   3.357  -5.077  -6.564
  157   1HG   LYS  27          2HG       LYS  27   1.906  -7.524  -5.631
  158   2HG   LYS  27          1HG       LYS  27   2.930  -7.649  -7.060
  159   1HD   LYS  27          2HD       LYS  27   4.869  -7.262  -5.880
  160   2HD   LYS  27          1HD       LYS  27   4.065  -6.238  -4.691
  161   1HE   LYS  27          2HE       LYS  27   4.181  -8.049  -3.309
  162   2HE   LYS  27          1HE       LYS  27   2.872  -8.726  -4.298
  163   1HZ   LYS  27          1HZ       LYS  27   4.777 -10.221  -4.257
  164   2HZ   LYS  27          2HZ       LYS  27   5.782  -8.990  -4.855
  165   3HZ   LYS  27          3HZ       LYS  27   4.532  -9.615  -5.822
  166    H    TRP  28           H        TRP  28   0.647  -2.696  -4.650
  167    HA   TRP  28           HA       TRP  28   3.104  -2.091  -3.094
  168   1HB   TRP  28          2HB       TRP  28   3.405   0.065  -4.214
  169   2HB   TRP  28          1HB       TRP  28   3.480  -1.242  -5.384
  170    HD1  TRP  28           HD       TRP  28   0.433   0.718  -3.960
  171    HE1  TRP  28           1HE      TRP  28  -0.931   1.599  -5.960
  172    HE3  TRP  28           3HE      TRP  28   3.349  -0.925  -7.803
  173    HZ2  TRP  28           2HZ      TRP  28  -0.800   1.610  -8.815
  174    HZ3  TRP  28           3HZ      TRP  28   2.713  -0.466 -10.153
  175    HH2  TRP  28           HH       TRP  28   0.644   0.800 -10.664
  176    H    CYS  29           H        CYS  29   2.802  -0.060  -1.749
  177    HA   CYS  29           HA       CYS  29   0.327  -0.214  -0.279
  178   1HB   CYS  29          2HB       CYS  29   2.797   0.516   0.335
  179   2HB   CYS  29          1HB       CYS  29   2.205   2.119  -0.101
  180    H    VAL  30           H        VAL  30  -1.470   1.051  -0.378
  181    HA   VAL  30           HA       VAL  30  -1.533   3.417  -2.215
  182    HB   VAL  30           HB       VAL  30  -3.769   2.551  -2.956
  183   1HG1  VAL  30          1HG1      VAL  30  -2.417   1.814  -4.608
  184   2HG1  VAL  30          2HG1      VAL  30  -2.545   0.234  -3.837
  185   3HG1  VAL  30          3HG1      VAL  30  -1.179   1.285  -3.473
  186   1HG2  VAL  30          1HG2      VAL  30  -3.037  -0.065  -1.642
  187   2HG2  VAL  30          2HG2      VAL  30  -4.603   0.456  -2.260
  188   3HG2  VAL  30          3HG2      VAL  30  -3.972   1.148  -0.766
  189    H    TYR  31           H        TYR  31  -3.866   4.509  -1.760
  190    HA   TYR  31           HA       TYR  31  -3.899   5.420   0.955
  191   1HB   TYR  31          2HB       TYR  31  -5.994   6.511   0.259
  192   2HB   TYR  31          1HB       TYR  31  -4.821   6.607  -1.054
  193    HD1  TYR  31           1HD      TYR  31  -5.189   5.486  -3.146
  194    HD2  TYR  31           2HD      TYR  31  -7.829   4.797   0.174
  195    HE1  TYR  31           1HE      TYR  31  -6.759   4.284  -4.642
  196    HE2  TYR  31           2HE      TYR  31  -9.397   3.596  -1.323
  197    HH   TYR  31           HH       TYR  31  -9.019   2.251  -3.678
  198    H    ALA  32           H        ALA  32  -5.609   5.031   2.578
  199    HA   ALA  32           HA       ALA  32  -6.960   2.361   2.314
  200   1HB   ALA  32          1HB       ALA  32  -5.646   3.509   4.798
  201   2HB   ALA  32          2HB       ALA  32  -4.835   2.394   3.697
  202   3HB   ALA  32          3HB       ALA  32  -6.267   1.873   4.584
  203    H    ARG  33           H        ARG  33  -8.714   2.181   4.123
  204    HA   ARG  33           HA       ARG  33 -10.137   4.817   4.334
  205   1HB   ARG  33          2HB       ARG  33 -10.924   2.005   3.713
  206   2HB   ARG  33          1HB       ARG  33 -12.086   2.981   4.613
  207   1HG   ARG  33          2HG       ARG  33 -11.894   4.755   2.870
  208   2HG   ARG  33          1HG       ARG  33 -10.828   3.695   1.948
  209   1HD   ARG  33          2HD       ARG  33 -12.571   2.097   1.577
  210   2HD   ARG  33          1HD       ARG  33 -13.619   2.855   2.792
  211    HE   ARG  33           HE       ARG  33 -14.158   4.542   1.213
  212   1HH1  ARG  33          1HH2      ARG  33 -13.473   2.288  -0.797
  213   2HH1  ARG  33          2HH2      ARG  33 -12.483   3.161  -1.919
  214   1HH2  ARG  33          1HH1      ARG  33 -11.988   5.864   0.209
  215   2HH2  ARG  33          2HH1      ARG  33 -11.642   5.189  -1.349
  216    HA   PRO  34           HA       PRO  34  -9.893   4.355   8.718
  217   1HB   PRO  34          2HB       PRO  34 -11.994   5.957   9.445
  218   2HB   PRO  34          1HB       PRO  34 -10.445   6.595   8.857
  219   1HG   PRO  34          2HG       PRO  34 -13.024   6.259   7.414
  220   2HG   PRO  34          1HG       PRO  34 -11.830   7.562   7.306
  221   1HD   PRO  34          2HD       PRO  34 -12.060   5.561   5.461
  222   2HD   PRO  34          1HD       PRO  34 -10.548   6.436   5.785
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1  10.912   4.719   7.042
    2   2H    GLY   1          2HT       GLY   1  11.294   3.900   5.603
    3   3H    GLY   1          3HT       GLY   1  11.827   3.292   7.097
    4   1HA   GLY   1          2HA       GLY   1   9.851   2.131   6.069
    5   2HA   GLY   1          1HA       GLY   1   9.685   2.644   7.748
    6    H    CYS   2           H        CYS   2   9.311   4.191   4.529
    7    HA   CYS   2           HA       CYS   2   6.518   4.928   5.218
    8   1HB   CYS   2          2HB       CYS   2   7.757   6.747   6.180
    9   2HB   CYS   2          1HB       CYS   2   8.818   6.852   4.777
   10    H    GLY   3           H        GLY   3   5.313   4.650   3.380
   11   1HA   GLY   3          2HA       GLY   3   6.727   4.699   0.747
   12   2HA   GLY   3          1HA       GLY   3   5.266   3.766   1.077
   13    H    GLY   4           H        GLY   4   3.450   4.661   0.251
   14   1HA   GLY   4          2HA       GLY   4   2.522   7.273   0.712
   15   2HA   GLY   4          1HA       GLY   4   3.387   7.335  -0.823
   16    H    LEU   5           H        LEU   5   1.917   7.257  -2.450
   17    HA   LEU   5           HA       LEU   5  -0.475   5.483  -2.146
   18   1HB   LEU   5          2HB       LEU   5  -0.171   8.144  -2.839
   19   2HB   LEU   5          1HB       LEU   5  -0.360   7.355  -4.406
   20    HG   LEU   5           HG       LEU   5  -2.215   6.340  -2.369
   21   1HD1  LEU   5          1HD1      LEU   5  -1.856   8.924  -1.946
   22   2HD1  LEU   5          2HD1      LEU   5  -3.482   8.246  -1.969
   23   3HD1  LEU   5          3HD1      LEU   5  -2.857   9.086  -3.388
   24   1HD2  LEU   5          1HD2      LEU   5  -3.769   6.483  -4.203
   25   2HD2  LEU   5          2HD2      LEU   5  -2.234   5.934  -4.874
   26   3HD2  LEU   5          3HD2      LEU   5  -2.729   7.614  -5.070
   27    H    MET   6           H        MET   6   2.553   5.572  -3.691
   28    HA   MET   6           HA       MET   6   1.752   3.358  -5.499
   29   1HB   MET   6          2HB       MET   6   2.339   6.117  -6.261
   30   2HB   MET   6          1HB       MET   6   3.427   4.980  -7.056
   31   1HG   MET   6          2HG       MET   6   1.754   4.627  -8.535
   32   2HG   MET   6          1HG       MET   6   0.953   3.731  -7.244
   33   1HE   MET   6          1HE       MET   6  -0.763   6.954  -9.493
   34   2HE   MET   6          2HE       MET   6  -0.880   5.197  -9.564
   35   3HE   MET   6          3HE       MET   6   0.683   5.979  -9.788
   36    H    ALA   7           H        ALA   7   3.440   3.721  -3.025
   37    HA   ALA   7           HA       ALA   7   6.228   3.412  -3.930
   38   1HB   ALA   7          1HB       ALA   7   5.013   2.966  -1.188
   39   2HB   ALA   7          2HB       ALA   7   5.390   4.570  -1.817
   40   3HB   ALA   7          3HB       ALA   7   6.681   3.398  -1.566
   41    H    GLY   8           H        GLY   8   7.405   1.451  -3.852
   42   1HA   GLY   8          2HA       GLY   8   6.040  -0.968  -4.438
   43   2HA   GLY   8          1HA       GLY   8   7.734  -0.866  -3.959
   44    H    CYS   9           H        CYS   9   4.961  -2.341  -3.109
   45    HA   CYS   9           HA       CYS   9   5.674  -2.365  -0.191
   46   1HB   CYS   9          2HB       CYS   9   3.329  -2.452   0.293
   47   2HB   CYS   9          1HB       CYS   9   3.519  -1.193  -0.925
   48    H    ASP  10           H        ASP  10   6.320  -4.180  -2.666
   49    HA   ASP  10           HA       ASP  10   5.027  -6.656  -2.602
   50   1HB   ASP  10          2HB       ASP  10   6.843  -5.931  -4.137
   51   2HB   ASP  10          1HB       ASP  10   8.004  -6.087  -2.819
   52    H    GLY  11           H        GLY  11   4.444  -7.635  -0.683
   53   1HA   GLY  11          2HA       GLY  11   5.916  -9.277   0.856
   54   2HA   GLY  11          1HA       GLY  11   6.327  -7.724   1.587
   55    H    LYS  12           H        LYS  12   4.542 -10.196   2.343
   56    HA   LYS  12           HA       LYS  12   1.849  -9.209   2.638
   57   1HB   LYS  12          2HB       LYS  12   1.573 -11.188   3.990
   58   2HB   LYS  12          1HB       LYS  12   2.700 -11.600   2.701
   59   1HG   LYS  12          2HG       LYS  12   4.213 -10.535   4.886
   60   2HG   LYS  12          1HG       LYS  12   3.117 -11.760   5.525
   61   1HD   LYS  12          2HD       LYS  12   3.965 -13.430   4.035
   62   2HD   LYS  12          1HD       LYS  12   4.837 -12.229   3.080
   63   1HE   LYS  12          2HE       LYS  12   5.466 -12.535   6.015
   64   2HE   LYS  12          1HE       LYS  12   6.187 -13.642   4.831
   65   1HZ   LYS  12          1HZ       LYS  12   7.586 -11.703   5.077
   66   2HZ   LYS  12          2HZ       LYS  12   6.281 -10.668   4.743
   67   3HZ   LYS  12          3HZ       LYS  12   6.887 -11.695   3.532
   68    H    SER  13           H        SER  13   4.749  -8.393   4.312
   69    HA   SER  13           HA       SER  13   3.133  -7.081   6.470
   70   1HB   SER  13          2HB       SER  13   4.683  -9.294   6.817
   71   2HB   SER  13          1HB       SER  13   5.876  -8.031   7.102
   72    HG   SER  13           HG       SER  13   4.673  -7.266   8.762
   73    H    THR  14           H        THR  14   4.119  -5.870   3.992
   74    HA   THR  14           HA       THR  14   6.593  -4.437   4.454
   75    HB   THR  14           HB       THR  14   5.463  -4.881   2.237
   76    HG1  THR  14           1HG      THR  14   6.649  -3.280   1.649
   77   1HG2  THR  14          1HG2      THR  14   3.188  -4.052   3.365
   78   2HG2  THR  14          2HG2      THR  14   3.472  -3.885   1.634
   79   3HG2  THR  14          3HG2      THR  14   3.715  -2.504   2.703
   80    H    PHE  15           H        PHE  15   6.841  -2.221   5.119
   81    HA   PHE  15           HA       PHE  15   4.575  -1.205   6.797
   82   1HB   PHE  15          2HB       PHE  15   7.532  -1.343   7.002
   83   2HB   PHE  15          1HB       PHE  15   6.806   0.150   7.596
   84    HD1  PHE  15           1HD      PHE  15   4.412  -0.418   8.899
   85    HD2  PHE  15           2HD      PHE  15   7.883  -2.938   8.654
   86    HE1  PHE  15           1HE      PHE  15   3.714  -1.582  10.975
   87    HE2  PHE  15           2HE      PHE  15   7.184  -4.101  10.730
   88    HZ   PHE  15           HZ       PHE  15   5.099  -3.425  11.889
   89    H    CYS  16           H        CYS  16   3.589   0.647   6.128
   90    HA   CYS  16           HA       CYS  16   4.878   2.278   3.979
   91   1HB   CYS  16          2HB       CYS  16   2.404   1.137   4.191
   92   2HB   CYS  16          1HB       CYS  16   2.070   2.750   4.821
   93    H    CYS  17           H        CYS  17   3.269   4.635   4.504
   94    HA   CYS  17           HA       CYS  17   4.810   5.756   6.774
   95   1HB   CYS  17          2HB       CYS  17   4.095   6.628   4.246
   96   2HB   CYS  17          1HB       CYS  17   2.970   7.498   5.287
   97    H    SER  18           H        SER  18   1.444   6.287   5.685
   98    HA   SER  18           HA       SER  18   0.267   5.451   8.217
   99   1HB   SER  18          2HB       SER  18  -0.396   7.795   8.867
  100   2HB   SER  18          1HB       SER  18   1.337   7.501   8.962
  101    HG   SER  18           HG       SER  18  -0.071   9.215   7.376
  102    H    GLY  19           H        GLY  19  -1.806   4.856   7.700
  103   1HA   GLY  19          2HA       GLY  19  -3.932   4.900   6.688
  104   2HA   GLY  19          1HA       GLY  19  -3.542   6.498   6.055
  105    H    TYR  20           H        TYR  20  -1.314   3.899   5.387
  106    HA   TYR  20           HA       TYR  20  -2.434   3.640   2.619
  107   1HB   TYR  20          2HB       TYR  20   0.412   4.137   3.543
  108   2HB   TYR  20          1HB       TYR  20   0.003   3.657   1.897
  109    HD1  TYR  20           1HD      TYR  20  -2.292   5.122   1.114
  110    HD2  TYR  20           2HD      TYR  20   0.906   6.405   3.679
  111    HE1  TYR  20           1HE      TYR  20  -2.787   7.483   0.548
  112    HE2  TYR  20           2HE      TYR  20   0.409   8.768   3.114
  113    HH   TYR  20           HH       TYR  20  -0.826   9.898   0.865
  114    H    ASN  21           H        ASN  21  -2.618   1.519   1.983
  115    HA   ASN  21           HA       ASN  21  -1.168  -0.564   3.591
  116   1HB   ASN  21          2HB       ASN  21  -3.764  -0.224   3.643
  117   2HB   ASN  21          1HB       ASN  21  -3.728  -0.987   2.054
  118   1HD2  ASN  21          1HD2      ASN  21  -2.859  -1.529   5.486
  119   2HD2  ASN  21          2HD2      ASN  21  -2.859  -3.222   5.381
  120    H    CYS  22           H        CYS  22  -0.716  -2.596   2.314
  121    HA   CYS  22           HA       CYS  22   0.355  -1.888  -0.349
  122   1HB   CYS  22          2HB       CYS  22   1.744  -3.092   1.231
  123   2HB   CYS  22          1HB       CYS  22   0.505  -4.329   1.444
  124    H    SER  23           H        SER  23  -0.467  -2.639  -2.278
  125    HA   SER  23           HA       SER  23  -2.975  -4.273  -2.169
  126   1HB   SER  23          2HB       SER  23  -2.194  -1.855  -3.441
  127   2HB   SER  23          1HB       SER  23  -2.384  -3.051  -4.720
  128    HG   SER  23           HG       SER  23  -4.303  -1.772  -3.787
  129    HA   PRO  24           HA       PRO  24  -0.569  -7.498  -4.063
  130   1HB   PRO  24          2HB       PRO  24  -2.627  -9.202  -4.630
  131   2HB   PRO  24          1HB       PRO  24  -1.979  -8.982  -2.993
  132   1HG   PRO  24          2HG       PRO  24  -4.449  -7.879  -4.215
  133   2HG   PRO  24          1HG       PRO  24  -4.153  -8.420  -2.557
  134   1HD   PRO  24          2HD       PRO  24  -4.209  -5.786  -3.353
  135   2HD   PRO  24          1HD       PRO  24  -3.375  -6.384  -1.904
  136    H    THR  25           H        THR  25  -3.471  -6.190  -5.637
  137    HA   THR  25           HA       THR  25  -2.869  -7.246  -8.280
  138    HB   THR  25           HB       THR  25  -4.647  -4.947  -7.398
  139    HG1  THR  25           1HG      THR  25  -5.690  -6.482  -6.446
  140   1HG2  THR  25          1HG2      THR  25  -3.997  -5.818  -9.962
  141   2HG2  THR  25          2HG2      THR  25  -5.409  -4.860  -9.518
  142   3HG2  THR  25          3HG2      THR  25  -5.533  -6.616  -9.622
  143    H    TRP  26           H        TRP  26  -2.249  -4.180  -6.606
  144    HA   TRP  26           HA       TRP  26  -0.971  -3.043  -9.046
  145   1HB   TRP  26          2HB       TRP  26  -1.468  -1.810  -6.319
  146   2HB   TRP  26          1HB       TRP  26  -1.106  -0.959  -7.819
  147    HD1  TRP  26           HD       TRP  26  -3.917  -2.592  -5.911
  148    HE1  TRP  26           1HE      TRP  26  -6.139  -2.222  -7.159
  149    HE3  TRP  26           3HE      TRP  26  -2.154  -0.641 -10.288
  150    HZ2  TRP  26           2HZ      TRP  26  -7.052  -1.223  -9.677
  151    HZ3  TRP  26           3HZ      TRP  26  -3.721   0.011 -12.092
  152    HH2  TRP  26           HH       TRP  26  -6.165  -0.277 -11.793
  153    H    LYS  27           H        LYS  27  -0.143  -4.508  -6.002
  154    HA   LYS  27           HA       LYS  27   1.934  -5.135  -5.114
  155   1HB   LYS  27          2HB       LYS  27   2.229  -5.104  -7.825
  156   2HB   LYS  27          1HB       LYS  27   3.479  -3.958  -7.343
  157   1HG   LYS  27          2HG       LYS  27   4.434  -6.198  -7.392
  158   2HG   LYS  27          1HG       LYS  27   4.344  -5.649  -5.718
  159   1HD   LYS  27          2HD       LYS  27   2.372  -6.968  -5.309
  160   2HD   LYS  27          1HD       LYS  27   2.203  -7.351  -7.023
  161   1HE   LYS  27          2HE       LYS  27   4.848  -8.091  -6.040
  162   2HE   LYS  27          1HE       LYS  27   3.560  -8.903  -5.129
  163   1HZ   LYS  27          1HZ       LYS  27   2.510  -9.499  -7.238
  164   2HZ   LYS  27          2HZ       LYS  27   4.079 -10.142  -7.134
  165   3HZ   LYS  27          3HZ       LYS  27   3.782  -8.771  -8.092
  166    H    TRP  28           H        TRP  28   0.869  -2.075  -5.171
  167    HA   TRP  28           HA       TRP  28   3.328  -1.106  -3.783
  168   1HB   TRP  28          2HB       TRP  28   3.105   1.070  -4.887
  169   2HB   TRP  28          1HB       TRP  28   3.267  -0.205  -6.084
  170    HD1  TRP  28           HD       TRP  28   0.190   1.330  -4.261
  171    HE1  TRP  28           1HE      TRP  28  -1.580   1.888  -6.047
  172    HE3  TRP  28           3HE      TRP  28   2.676  -0.150  -8.465
  173    HZ2  TRP  28           2HZ      TRP  28  -1.905   1.731  -8.878
  174    HZ3  TRP  28           3HZ      TRP  28   1.614   0.067 -10.694
  175    HH2  TRP  28           HH       TRP  28  -0.671   1.004 -10.906
  176    H    CYS  29           H        CYS  29   2.852   0.762  -2.312
  177    HA   CYS  29           HA       CYS  29   0.619   0.180  -0.597
  178   1HB   CYS  29          2HB       CYS  29   3.012   1.363  -0.321
  179   2HB   CYS  29          1HB       CYS  29   2.025   2.811  -0.501
  180    H    VAL  30           H        VAL  30  -1.388   1.123  -0.472
  181    HA   VAL  30           HA       VAL  30  -2.003   3.496  -2.188
  182    HB   VAL  30           HB       VAL  30  -4.061   2.329  -2.910
  183   1HG1  VAL  30          1HG1      VAL  30  -1.834   0.356  -3.347
  184   2HG1  VAL  30          2HG1      VAL  30  -1.717   1.986  -4.011
  185   3HG1  VAL  30          3HG1      VAL  30  -3.048   0.932  -4.489
  186   1HG2  VAL  30          1HG2      VAL  30  -3.513  -0.354  -2.186
  187   2HG2  VAL  30          2HG2      VAL  30  -4.860   0.645  -1.642
  188   3HG2  VAL  30          3HG2      VAL  30  -3.367   0.592  -0.707
  189    H    TYR  31           H        TYR  31  -4.529   4.045  -1.535
  190    HA   TYR  31           HA       TYR  31  -4.435   4.838   1.250
  191   1HB   TYR  31          2HB       TYR  31  -5.956   5.342  -1.129
  192   2HB   TYR  31          1HB       TYR  31  -7.083   4.967   0.175
  193    HD1  TYR  31           1HD      TYR  31  -6.525   6.119   2.503
  194    HD2  TYR  31           2HD      TYR  31  -5.153   7.522  -1.319
  195    HE1  TYR  31           1HE      TYR  31  -6.158   8.375   3.463
  196    HE2  TYR  31           2HE      TYR  31  -4.787   9.780  -0.358
  197    HH   TYR  31           HH       TYR  31  -6.074  10.957   2.110
  198    H    ALA  32           H        ALA  32  -5.360   3.850   3.037
  199    HA   ALA  32           HA       ALA  32  -6.651   1.181   2.601
  200   1HB   ALA  32          1HB       ALA  32  -4.495   1.518   3.946
  201   2HB   ALA  32          2HB       ALA  32  -5.787   0.647   4.773
  202   3HB   ALA  32          3HB       ALA  32  -5.489   2.345   5.146
  203    H    ARG  33           H        ARG  33  -8.861   1.230   2.787
  204    HA   ARG  33           HA       ARG  33 -10.150   2.487   5.089
  205   1HB   ARG  33          2HB       ARG  33 -11.376   4.171   3.816
  206   2HB   ARG  33          1HB       ARG  33  -9.651   4.389   3.532
  207   1HG   ARG  33          2HG       ARG  33 -10.264   4.395   1.336
  208   2HG   ARG  33          1HG       ARG  33 -10.269   2.642   1.530
  209   1HD   ARG  33          2HD       ARG  33 -12.553   2.513   1.427
  210   2HD   ARG  33          1HD       ARG  33 -12.773   4.005   2.359
  211    HE   ARG  33           HE       ARG  33 -12.620   5.257   0.336
  212   1HH1  ARG  33          1HH2      ARG  33 -14.088   3.026  -0.957
  213   2HH1  ARG  33          2HH2      ARG  33 -13.067   2.621  -2.296
  214   1HH2  ARG  33          1HH1      ARG  33 -10.288   4.269  -1.015
  215   2HH2  ARG  33          2HH1      ARG  33 -10.908   3.327  -2.328
  216    HA   PRO  34           HA       PRO  34 -13.107  -0.624   4.088
  217   1HB   PRO  34          2HB       PRO  34 -15.308   0.368   5.381
  218   2HB   PRO  34          1HB       PRO  34 -13.932  -0.362   6.233
  219   1HG   PRO  34          2HG       PRO  34 -14.600   2.511   5.827
  220   2HG   PRO  34          1HG       PRO  34 -13.930   1.698   7.250
  221   1HD   PRO  34          2HD       PRO  34 -12.427   3.158   5.510
  222   2HD   PRO  34          1HD       PRO  34 -11.785   1.801   6.463
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1  12.528   8.736   7.265
    2   2H    GLY   1          2HT       GLY   1  12.663   7.231   6.491
    3   3H    GLY   1          3HT       GLY   1  11.480   7.473   7.685
    4   1HA   GLY   1          2HA       GLY   1  10.387   9.128   6.271
    5   2HA   GLY   1          1HA       GLY   1  11.582   8.782   5.021
    6    H    CYS   2           H        CYS   2   8.494   8.140   5.737
    7    HA   CYS   2           HA       CYS   2   8.444   5.235   5.237
    8   1HB   CYS   2          2HB       CYS   2   6.008   5.586   5.445
    9   2HB   CYS   2          1HB       CYS   2   6.868   6.380   6.763
   10    H    GLY   3           H        GLY   3   6.462   4.766   3.479
   11   1HA   GLY   3          2HA       GLY   3   7.628   5.595   0.911
   12   2HA   GLY   3          1HA       GLY   3   6.340   4.413   1.131
   13    H    GLY   4           H        GLY   4   4.336   5.061   0.510
   14   1HA   GLY   4          2HA       GLY   4   3.079   7.508   1.091
   15   2HA   GLY   4          1HA       GLY   4   3.854   7.723  -0.479
   16    H    LEU   5           H        LEU   5   2.627   7.161  -2.212
   17    HA   LEU   5           HA       LEU   5   0.322   5.292  -1.767
   18   1HB   LEU   5          2HB       LEU   5   0.464   7.909  -2.719
   19   2HB   LEU   5          1HB       LEU   5   0.296   6.942  -4.184
   20    HG   LEU   5           HG       LEU   5  -1.461   6.241  -1.876
   21   1HD1  LEU   5          1HD1      LEU   5  -2.961   8.098  -3.298
   22   2HD1  LEU   5          2HD1      LEU   5  -1.390   8.884  -3.136
   23   3HD1  LEU   5          3HD1      LEU   5  -2.261   8.349  -1.699
   24   1HD2  LEU   5          1HD2      LEU   5  -1.620   4.918  -3.890
   25   2HD2  LEU   5          2HD2      LEU   5  -1.737   6.364  -4.894
   26   3HD2  LEU   5          3HD2      LEU   5  -3.063   5.930  -3.814
   27    H    MET   6           H        MET   6   3.364   5.038  -2.863
   28    HA   MET   6           HA       MET   6   2.635   2.973  -4.872
   29   1HB   MET   6          2HB       MET   6   3.159   5.446  -5.748
   30   2HB   MET   6          1HB       MET   6   4.823   4.895  -5.564
   31   1HG   MET   6          2HG       MET   6   4.523   3.118  -7.105
   32   2HG   MET   6          1HG       MET   6   2.764   3.250  -7.036
   33   1HE   MET   6          1HE       MET   6   2.554   3.603  -9.995
   34   2HE   MET   6          2HE       MET   6   4.007   2.802  -9.402
   35   3HE   MET   6          3HE       MET   6   4.144   4.089 -10.598
   36    H    ALA   7           H        ALA   7   3.730   2.857  -2.142
   37    HA   ALA   7           HA       ALA   7   6.601   2.407  -2.242
   38   1HB   ALA   7          1HB       ALA   7   5.477   1.000  -0.081
   39   2HB   ALA   7          2HB       ALA   7   4.392   2.363  -0.344
   40   3HB   ALA   7          3HB       ALA   7   6.106   2.647  -0.043
   41    H    GLY   8           H        GLY   8   7.598   0.606  -3.080
   42   1HA   GLY   8          2HA       GLY   8   6.237  -1.551  -4.305
   43   2HA   GLY   8          1HA       GLY   8   7.929  -1.604  -3.809
   44    H    CYS   9           H        CYS   9   4.961  -3.027  -3.313
   45    HA   CYS   9           HA       CYS   9   5.395  -3.690  -0.455
   46   1HB   CYS   9          2HB       CYS   9   3.162  -3.107  -1.127
   47   2HB   CYS   9          1HB       CYS   9   3.222  -4.209  -2.501
   48    H    ASP  10           H        ASP  10   4.187  -5.908  -2.949
   49    HA   ASP  10           HA       ASP  10   4.785  -8.142  -3.422
   50   1HB   ASP  10          2HB       ASP  10   7.382  -6.609  -3.195
   51   2HB   ASP  10          1HB       ASP  10   7.358  -8.302  -3.684
   52    H    GLY  11           H        GLY  11   3.931  -8.212  -0.902
   53   1HA   GLY  11          2HA       GLY  11   5.509 -10.246   0.379
   54   2HA   GLY  11          1HA       GLY  11   5.678  -8.708   1.232
   55    H    LYS  12           H        LYS  12   4.484  -9.238   3.069
   56    HA   LYS  12           HA       LYS  12   1.562  -9.743   2.609
   57   1HB   LYS  12          2HB       LYS  12   1.614 -11.233   4.517
   58   2HB   LYS  12          1HB       LYS  12   2.903 -11.709   3.413
   59   1HG   LYS  12          2HG       LYS  12   3.904  -9.717   5.244
   60   2HG   LYS  12          1HG       LYS  12   3.148 -11.023   6.156
   61   1HD   LYS  12          2HD       LYS  12   4.495 -12.677   4.928
   62   2HD   LYS  12          1HD       LYS  12   5.242 -11.384   3.991
   63   1HE   LYS  12          2HE       LYS  12   5.356 -11.272   7.000
   64   2HE   LYS  12          1HE       LYS  12   6.503 -12.293   6.111
   65   1HZ   LYS  12          1HZ       LYS  12   7.001 -10.366   4.685
   66   2HZ   LYS  12          2HZ       LYS  12   7.405 -10.081   6.310
   67   3HZ   LYS  12          3HZ       LYS  12   5.996  -9.398   5.650
   68    H    SER  13           H        SER  13   3.952  -7.752   4.122
   69    HA   SER  13           HA       SER  13   1.866  -6.041   5.287
   70   1HB   SER  13          2HB       SER  13   3.308  -8.051   6.807
   71   2HB   SER  13          1HB       SER  13   3.668  -6.444   7.429
   72    HG   SER  13           HG       SER  13   1.540  -7.847   7.903
   73    H    THR  14           H        THR  14   3.400  -5.200   3.283
   74    HA   THR  14           HA       THR  14   6.023  -4.227   3.809
   75    HB   THR  14           HB       THR  14   4.860  -4.369   1.596
   76    HG1  THR  14           1HG      THR  14   5.701  -1.731   2.215
   77   1HG2  THR  14          1HG2      THR  14   3.443  -1.833   2.452
   78   2HG2  THR  14          2HG2      THR  14   2.682  -3.423   2.470
   79   3HG2  THR  14          3HG2      THR  14   3.227  -2.723   0.946
   80    H    PHE  15           H        PHE  15   6.760  -2.189   4.634
   81    HA   PHE  15           HA       PHE  15   4.903  -0.870   6.515
   82   1HB   PHE  15          2HB       PHE  15   7.815  -1.114   6.045
   83   2HB   PHE  15          1HB       PHE  15   7.299   0.443   6.693
   84    HD1  PHE  15           1HD      PHE  15   6.828  -3.240   7.206
   85    HD2  PHE  15           2HD      PHE  15   6.878   0.667   8.993
   86    HE1  PHE  15           1HE      PHE  15   6.544  -4.261   9.447
   87    HE2  PHE  15           2HE      PHE  15   6.595  -0.355  11.234
   88    HZ   PHE  15           HZ       PHE  15   6.428  -2.819  11.461
   89    H    CYS  16           H        CYS  16   3.878   1.030   6.092
   90    HA   CYS  16           HA       CYS  16   4.828   2.703   3.783
   91   1HB   CYS  16          2HB       CYS  16   2.005   2.062   4.711
   92   2HB   CYS  16          1HB       CYS  16   2.416   3.090   3.339
   93    H    CYS  17           H        CYS  17   3.018   4.829   4.170
   94    HA   CYS  17           HA       CYS  17   4.219   6.179   6.484
   95   1HB   CYS  17          2HB       CYS  17   2.173   6.977   4.387
   96   2HB   CYS  17          1HB       CYS  17   2.842   8.089   5.580
   97    H    SER  18           H        SER  18   0.804   6.541   5.645
   98    HA   SER  18           HA       SER  18  -0.151   5.127   8.038
   99   1HB   SER  18          2HB       SER  18   0.661   7.858   8.146
  100   2HB   SER  18          1HB       SER  18  -1.097   7.840   8.239
  101    HG   SER  18           HG       SER  18   0.803   6.579   9.907
  102    H    GLY  19           H        GLY  19  -2.108   4.290   7.435
  103   1HA   GLY  19          2HA       GLY  19  -4.316   4.287   6.556
  104   2HA   GLY  19          1HA       GLY  19  -4.034   5.906   5.915
  105    H    TYR  20           H        TYR  20  -1.627   3.491   5.214
  106    HA   TYR  20           HA       TYR  20  -2.695   3.276   2.414
  107   1HB   TYR  20          2HB       TYR  20   0.106   3.575   3.533
  108   2HB   TYR  20          1HB       TYR  20  -0.197   3.086   1.867
  109    HD1  TYR  20           1HD      TYR  20   0.616   5.821   3.779
  110    HD2  TYR  20           2HD      TYR  20  -2.217   4.651   0.774
  111    HE1  TYR  20           1HE      TYR  20   0.322   8.196   3.132
  112    HE2  TYR  20           2HE      TYR  20  -2.514   7.024   0.126
  113    HH   TYR  20           HH       TYR  20  -0.627   9.292   0.551
  114    H    ASN  21           H        ASN  21  -3.024   1.194   1.723
  115    HA   ASN  21           HA       ASN  21  -1.858  -1.037   3.353
  116   1HB   ASN  21          2HB       ASN  21  -4.463  -0.479   2.022
  117   2HB   ASN  21          1HB       ASN  21  -3.900  -2.148   1.948
  118   1HD2  ASN  21          1HD2      ASN  21  -5.198  -3.147   3.547
  119   2HD2  ASN  21          2HD2      ASN  21  -5.256  -2.642   5.166
  120    H    CYS  22           H        CYS  22  -1.449  -3.068   2.009
  121    HA   CYS  22           HA       CYS  22   0.079  -2.324  -0.411
  122   1HB   CYS  22          2HB       CYS  22   1.183  -3.763   1.120
  123   2HB   CYS  22          1HB       CYS  22  -0.249  -4.768   1.335
  124    H    SER  23           H        SER  23  -0.579  -2.779  -2.485
  125    HA   SER  23           HA       SER  23  -3.194  -4.189  -2.841
  126   1HB   SER  23          2HB       SER  23  -2.315  -1.734  -3.674
  127   2HB   SER  23          1HB       SER  23  -1.926  -2.719  -5.081
  128    HG   SER  23           HG       SER  23  -4.054  -3.329  -5.221
  129    HA   PRO  24           HA       PRO  24  -0.818  -7.459  -4.701
  130   1HB   PRO  24          2HB       PRO  24  -2.922  -8.959  -5.591
  131   2HB   PRO  24          1HB       PRO  24  -2.426  -8.905  -3.888
  132   1HG   PRO  24          2HG       PRO  24  -4.692  -7.554  -5.242
  133   2HG   PRO  24          1HG       PRO  24  -4.580  -8.205  -3.601
  134   1HD   PRO  24          2HD       PRO  24  -4.386  -5.529  -4.256
  135   2HD   PRO  24          1HD       PRO  24  -3.767  -6.258  -2.759
  136    H    THR  25           H        THR  25  -3.442  -5.805  -6.429
  137    HA   THR  25           HA       THR  25  -2.671  -6.707  -9.082
  138    HB   THR  25           HB       THR  25  -4.350  -4.373  -8.104
  139    HG1  THR  25           1HG      THR  25  -5.062  -6.993  -8.935
  140   1HG2  THR  25          1HG2      THR  25  -4.172  -3.814 -10.315
  141   2HG2  THR  25          2HG2      THR  25  -5.408  -5.058 -10.494
  142   3HG2  THR  25          3HG2      THR  25  -3.716  -5.448 -10.799
  143    H    TRP  26           H        TRP  26  -2.184  -3.692  -7.242
  144    HA   TRP  26           HA       TRP  26  -0.458  -2.559  -9.358
  145   1HB   TRP  26          2HB       TRP  26  -1.248  -1.566  -6.599
  146   2HB   TRP  26          1HB       TRP  26  -0.476  -0.606  -7.859
  147    HD1  TRP  26           HD       TRP  26  -3.808  -1.769  -6.674
  148    HE1  TRP  26           1HE      TRP  26  -5.645  -1.038  -8.326
  149    HE3  TRP  26           3HE      TRP  26  -0.913  -0.206 -10.574
  150    HZ2  TRP  26           2HZ      TRP  26  -5.859   0.068 -10.956
  151    HZ3  TRP  26           3HZ      TRP  26  -1.955   0.680 -12.640
  152    HH2  TRP  26           HH       TRP  26  -4.422   0.820 -12.836
  153    H    LYS  27           H        LYS  27  -0.074  -4.513  -6.561
  154    HA   LYS  27           HA       LYS  27   1.813  -5.355  -5.470
  155   1HB   LYS  27          2HB       LYS  27   2.792  -4.346  -8.111
  156   2HB   LYS  27          1HB       LYS  27   3.988  -4.853  -6.920
  157   1HG   LYS  27          2HG       LYS  27   1.625  -6.566  -7.733
  158   2HG   LYS  27          1HG       LYS  27   3.215  -6.684  -8.490
  159   1HD   LYS  27          2HD       LYS  27   3.601  -8.226  -6.853
  160   2HD   LYS  27          1HD       LYS  27   3.915  -6.802  -5.862
  161   1HE   LYS  27          2HE       LYS  27   2.161  -7.334  -4.532
  162   2HE   LYS  27          1HE       LYS  27   1.070  -7.276  -5.929
  163   1HZ   LYS  27          1HZ       LYS  27   2.808  -9.572  -5.186
  164   2HZ   LYS  27          2HZ       LYS  27   1.776  -9.508  -6.534
  165   3HZ   LYS  27          3HZ       LYS  27   1.129  -9.499  -4.964
  166    H    TRP  28           H        TRP  28   1.001  -2.315  -5.160
  167    HA   TRP  28           HA       TRP  28   3.389  -1.696  -3.511
  168   1HB   TRP  28          2HB       TRP  28   3.600   0.544  -4.459
  169   2HB   TRP  28          1HB       TRP  28   3.745  -0.658  -5.730
  170    HD1  TRP  28           HD       TRP  28   0.668   1.164  -4.179
  171    HE1  TRP  28           1HE      TRP  28  -0.745   2.094  -6.124
  172    HE3  TRP  28           3HE      TRP  28   3.514  -0.328  -8.132
  173    HZ2  TRP  28           2HZ      TRP  28  -0.677   2.197  -8.978
  174    HZ3  TRP  28           3HZ      TRP  28   2.826   0.197 -10.455
  175    HH2  TRP  28           HH       TRP  28   0.734   1.458 -10.882
  176    H    CYS  29           H        CYS  29   2.938   0.178  -2.003
  177    HA   CYS  29           HA       CYS  29   0.476  -0.246  -0.597
  178   1HB   CYS  29          2HB       CYS  29   2.923   0.760  -0.027
  179   2HB   CYS  29          1HB       CYS  29   2.007   2.260  -0.165
  180    H    VAL  30           H        VAL  30  -1.462   0.768  -0.753
  181    HA   VAL  30           HA       VAL  30  -1.686   3.298  -2.346
  182    HB   VAL  30           HB       VAL  30  -3.782   2.304  -3.302
  183   1HG1  VAL  30          1HG1      VAL  30  -2.674   1.097  -4.967
  184   2HG1  VAL  30          2HG1      VAL  30  -1.556   0.354  -3.822
  185   3HG1  VAL  30          3HG1      VAL  30  -1.362   2.048  -4.269
  186   1HG2  VAL  30          1HG2      VAL  30  -4.092   0.686  -1.363
  187   2HG2  VAL  30          2HG2      VAL  30  -2.812  -0.296  -2.077
  188   3HG2  VAL  30          3HG2      VAL  30  -4.311  -0.021  -2.963
  189    H    TYR  31           H        TYR  31  -4.071   4.188  -1.921
  190    HA   TYR  31           HA       TYR  31  -4.330   4.795   0.857
  191   1HB   TYR  31          2HB       TYR  31  -5.208   5.978  -1.271
  192   2HB   TYR  31          1HB       TYR  31  -6.569   4.860  -1.172
  193    HD1  TYR  31           1HD      TYR  31  -4.811   7.642   0.508
  194    HD2  TYR  31           2HD      TYR  31  -8.216   5.023   0.602
  195    HE1  TYR  31           1HE      TYR  31  -5.869   9.079   2.229
  196    HE2  TYR  31           2HE      TYR  31  -9.274   6.460   2.322
  197    HH   TYR  31           HH       TYR  31  -7.940   8.357   4.206
  198    H    ALA  32           H        ALA  32  -5.471   3.791   2.503
  199    HA   ALA  32           HA       ALA  32  -6.807   1.191   1.862
  200   1HB   ALA  32          1HB       ALA  32  -5.897   2.311   4.529
  201   2HB   ALA  32          2HB       ALA  32  -4.837   1.396   3.456
  202   3HB   ALA  32          3HB       ALA  32  -6.268   0.630   4.146
  203    H    ARG  33           H        ARG  33  -8.863   0.711   2.908
  204    HA   ARG  33           HA       ARG  33 -10.350   3.060   4.016
  205   1HB   ARG  33          2HB       ARG  33 -10.579   1.941   1.412
  206   2HB   ARG  33          1HB       ARG  33 -12.024   1.455   2.298
  207   1HG   ARG  33          2HG       ARG  33 -11.013   4.307   2.265
  208   2HG   ARG  33          1HG       ARG  33 -12.178   3.695   1.093
  209   1HD   ARG  33          2HD       ARG  33 -13.246   2.844   3.512
  210   2HD   ARG  33          1HD       ARG  33 -12.603   4.453   3.894
  211    HE   ARG  33           HE       ARG  33 -13.940   5.357   2.026
  212   1HH1  ARG  33          1HH2      ARG  33 -16.007   4.153   3.781
  213   2HH1  ARG  33          2HH2      ARG  33 -16.907   3.159   2.687
  214   1HH2  ARG  33          1HH1      ARG  33 -14.448   3.176   0.231
  215   2HH2  ARG  33          2HH1      ARG  33 -16.023   2.605   0.670
  216    HA   PRO  34           HA       PRO  34 -11.366  -0.264   6.856
  217   1HB   PRO  34          2HB       PRO  34 -12.907   1.255   8.539
  218   2HB   PRO  34          1HB       PRO  34 -11.131   1.272   8.571
  219   1HG   PRO  34          2HG       PRO  34 -13.019   3.206   7.313
  220   2HG   PRO  34          1HG       PRO  34 -11.521   3.512   8.208
  221   1HD   PRO  34          2HD       PRO  34 -11.658   3.595   5.501
  222   2HD   PRO  34          1HD       PRO  34 -10.189   3.111   6.380
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1  11.380   4.488   5.596
    2   2H    GLY   1          2HT       GLY   1  11.843   4.096   7.183
    3   3H    GLY   1          3HT       GLY   1  10.858   5.448   6.893
    4   1HA   GLY   1          2HA       GLY   1   9.981   2.729   6.140
    5   2HA   GLY   1          1HA       GLY   1   9.736   3.351   7.771
    6    H    CYS   2           H        CYS   2   9.306   4.468   4.389
    7    HA   CYS   2           HA       CYS   2   6.504   5.203   4.983
    8   1HB   CYS   2          2HB       CYS   2   8.430   7.017   5.556
    9   2HB   CYS   2          1HB       CYS   2   8.173   7.394   3.853
   10    H    GLY   3           H        GLY   3   5.439   4.449   3.195
   11   1HA   GLY   3          2HA       GLY   3   6.854   4.283   0.600
   12   2HA   GLY   3          1HA       GLY   3   5.318   3.508   0.988
   13    H    GLY   4           H        GLY   4   3.389   4.674   0.691
   14   1HA   GLY   4          2HA       GLY   4   2.630   7.202   0.540
   15   2HA   GLY   4          1HA       GLY   4   3.684   7.189  -0.873
   16    H    LEU   5           H        LEU   5   2.345   7.200  -2.625
   17    HA   LEU   5           HA       LEU   5  -0.073   5.438  -2.607
   18   1HB   LEU   5          2HB       LEU   5   0.463   8.107  -3.375
   19   2HB   LEU   5          1HB       LEU   5   0.195   7.222  -4.877
   20    HG   LEU   5           HG       LEU   5  -1.927   8.113  -3.988
   21   1HD1  LEU   5          1HD1      LEU   5  -1.892   5.945  -5.224
   22   2HD1  LEU   5          2HD1      LEU   5  -3.206   6.032  -4.051
   23   3HD1  LEU   5          3HD1      LEU   5  -1.755   5.099  -3.684
   24   1HD2  LEU   5          1HD2      LEU   5  -2.750   7.591  -1.843
   25   2HD2  LEU   5          2HD2      LEU   5  -1.036   7.880  -1.551
   26   3HD2  LEU   5          3HD2      LEU   5  -1.647   6.229  -1.649
   27    H    MET   6           H        MET   6   3.118   5.442  -3.759
   28    HA   MET   6           HA       MET   6   2.455   3.309  -5.729
   29   1HB   MET   6          2HB       MET   6   2.854   5.894  -6.517
   30   2HB   MET   6          1HB       MET   6   4.507   5.280  -6.573
   31   1HG   MET   6          2HG       MET   6   4.056   3.831  -8.295
   32   2HG   MET   6          1HG       MET   6   2.406   3.532  -7.749
   33   1HE   MET   6          1HE       MET   6   0.171   5.129  -9.151
   34   2HE   MET   6          2HE       MET   6   0.581   6.657  -8.378
   35   3HE   MET   6          3HE       MET   6   0.807   5.147  -7.501
   36    H    ALA   7           H        ALA   7   3.663   3.222  -3.059
   37    HA   ALA   7           HA       ALA   7   6.556   3.008  -3.270
   38   1HB   ALA   7          1HB       ALA   7   6.385   2.599  -1.005
   39   2HB   ALA   7          2HB       ALA   7   4.983   1.545  -1.196
   40   3HB   ALA   7          3HB       ALA   7   4.787   3.297  -1.267
   41    H    GLY   8           H        GLY   8   7.168   0.582  -2.114
   42   1HA   GLY   8          2HA       GLY   8   6.178  -1.424  -4.105
   43   2HA   GLY   8          1HA       GLY   8   7.874  -1.336  -3.628
   44    H    CYS   9           H        CYS   9   4.710  -2.428  -2.715
   45    HA   CYS   9           HA       CYS   9   5.284  -3.071   0.043
   46   1HB   CYS   9          2HB       CYS   9   3.245  -4.090  -1.959
   47   2HB   CYS   9          1HB       CYS   9   3.180  -4.411  -0.226
   48    H    ASP  10           H        ASP  10   4.479  -5.515  -2.415
   49    HA   ASP  10           HA       ASP  10   5.324  -7.692  -2.747
   50   1HB   ASP  10          2HB       ASP  10   7.117  -6.062  -3.564
   51   2HB   ASP  10          1HB       ASP  10   7.949  -6.358  -2.037
   52    H    GLY  11           H        GLY  11   4.194  -7.744  -0.321
   53   1HA   GLY  11          2HA       GLY  11   5.156  -9.793   1.145
   54   2HA   GLY  11          1HA       GLY  11   6.173  -8.479   1.740
   55    H    LYS  12           H        LYS  12   3.829 -10.125   2.925
   56    HA   LYS  12           HA       LYS  12   1.703  -8.202   3.428
   57   1HB   LYS  12          2HB       LYS  12   0.921  -9.941   4.965
   58   2HB   LYS  12          1HB       LYS  12   1.484 -10.688   3.472
   59   1HG   LYS  12          2HG       LYS  12   3.706 -10.433   5.281
   60   2HG   LYS  12          1HG       LYS  12   2.370 -11.220   6.121
   61   1HD   LYS  12          2HD       LYS  12   2.267 -12.987   4.563
   62   2HD   LYS  12          1HD       LYS  12   3.165 -12.083   3.344
   63   1HE   LYS  12          2HE       LYS  12   4.427 -12.854   5.989
   64   2HE   LYS  12          1HE       LYS  12   4.480 -13.922   4.573
   65   1HZ   LYS  12          1HZ       LYS  12   5.423 -11.103   4.698
   66   2HZ   LYS  12          2HZ       LYS  12   5.345 -12.028   3.275
   67   3HZ   LYS  12          3HZ       LYS  12   6.393 -12.485   4.533
   68    H    SER  13           H        SER  13   4.886  -8.438   4.624
   69    HA   SER  13           HA       SER  13   4.204  -7.200   7.250
   70   1HB   SER  13          2HB       SER  13   6.325  -8.883   6.115
   71   2HB   SER  13          1HB       SER  13   6.951  -7.561   7.095
   72    HG   SER  13           HG       SER  13   6.030  -8.398   8.828
   73    H    THR  14           H        THR  14   4.765  -6.127   4.153
   74    HA   THR  14           HA       THR  14   6.751  -4.076   4.503
   75    HB   THR  14           HB       THR  14   5.821  -5.088   2.359
   76    HG1  THR  14           1HG      THR  14   6.844  -3.392   1.701
   77   1HG2  THR  14          1HG2      THR  14   3.384  -4.513   3.335
   78   2HG2  THR  14          2HG2      THR  14   3.704  -4.614   1.603
   79   3HG2  THR  14          3HG2      THR  14   3.655  -3.042   2.401
   80    H    PHE  15           H        PHE  15   6.475  -1.853   5.015
   81    HA   PHE  15           HA       PHE  15   3.790  -1.107   6.133
   82   1HB   PHE  15          2HB       PHE  15   6.149  -1.507   7.498
   83   2HB   PHE  15          1HB       PHE  15   6.187   0.233   7.212
   84    HD1  PHE  15           1HD      PHE  15   4.106  -2.530   8.591
   85    HD2  PHE  15           2HD      PHE  15   4.750   1.713   8.400
   86    HE1  PHE  15           1HE      PHE  15   2.437  -2.196  10.395
   87    HE2  PHE  15           2HE      PHE  15   3.081   2.047  10.204
   88    HZ   PHE  15           HZ       PHE  15   1.925   0.092  11.201
   89    H    CYS  16           H        CYS  16   2.914   0.658   5.172
   90    HA   CYS  16           HA       CYS  16   4.499   2.239   3.247
   91   1HB   CYS  16          2HB       CYS  16   1.597   2.487   4.100
   92   2HB   CYS  16          1HB       CYS  16   2.314   3.069   2.598
   93    H    CYS  17           H        CYS  17   3.005   4.710   3.614
   94    HA   CYS  17           HA       CYS  17   4.625   5.927   5.723
   95   1HB   CYS  17          2HB       CYS  17   2.724   6.766   3.567
   96   2HB   CYS  17          1HB       CYS  17   3.017   7.906   4.880
   97    H    SER  18           H        SER  18   1.295   6.962   5.359
   98    HA   SER  18           HA       SER  18   0.554   5.795   8.006
   99   1HB   SER  18          2HB       SER  18   1.030   8.631   7.252
  100   2HB   SER  18          1HB       SER  18  -0.404   8.330   8.228
  101    HG   SER  18           HG       SER  18   2.307   7.930   8.818
  102    H    GLY  19           H        GLY  19  -1.436   4.864   7.750
  103   1HA   GLY  19          2HA       GLY  19  -3.657   4.549   7.042
  104   2HA   GLY  19          1HA       GLY  19  -3.651   6.223   6.487
  105    H    TYR  20           H        TYR  20  -1.373   3.718   5.430
  106    HA   TYR  20           HA       TYR  20  -2.651   3.788   2.712
  107   1HB   TYR  20          2HB       TYR  20   0.205   4.171   3.620
  108   2HB   TYR  20          1HB       TYR  20  -0.141   3.601   1.989
  109    HD1  TYR  20           1HD      TYR  20  -2.486   5.057   1.147
  110    HD2  TYR  20           2HD      TYR  20   0.814   6.418   3.533
  111    HE1  TYR  20           1HE      TYR  20  -2.924   7.383   0.422
  112    HE2  TYR  20           2HE      TYR  20   0.375   8.748   2.809
  113    HH   TYR  20           HH       TYR  20  -2.463   9.726   1.376
  114    H    ASN  21           H        ASN  21  -3.235   1.718   2.166
  115    HA   ASN  21           HA       ASN  21  -1.851  -0.593   3.448
  116   1HB   ASN  21          2HB       ASN  21  -4.486   0.024   3.042
  117   2HB   ASN  21          1HB       ASN  21  -4.164  -0.965   1.619
  118   1HD2  ASN  21          1HD2      ASN  21  -5.800  -1.634   4.073
  119   2HD2  ASN  21          2HD2      ASN  21  -5.116  -3.061   4.687
  120    H    CYS  22           H        CYS  22  -2.083  -2.562   1.574
  121    HA   CYS  22           HA       CYS  22  -0.534  -1.498  -0.772
  122   1HB   CYS  22          2HB       CYS  22  -0.316  -3.996   0.911
  123   2HB   CYS  22          1HB       CYS  22   0.422  -3.902  -0.688
  124    H    SER  23           H        SER  23  -1.232  -2.128  -2.816
  125    HA   SER  23           HA       SER  23  -3.843  -3.479  -3.011
  126   1HB   SER  23          2HB       SER  23  -2.870  -1.432  -4.334
  127   2HB   SER  23          1HB       SER  23  -2.081  -2.665  -5.314
  128    HG   SER  23           HG       SER  23  -3.979  -3.315  -6.050
  129    HA   PRO  24           HA       PRO  24  -2.068  -7.460  -3.741
  130   1HB   PRO  24          2HB       PRO  24  -4.251  -8.660  -4.884
  131   2HB   PRO  24          1HB       PRO  24  -4.117  -8.343  -3.143
  132   1HG   PRO  24          2HG       PRO  24  -5.587  -6.816  -5.236
  133   2HG   PRO  24          1HG       PRO  24  -6.061  -7.197  -3.573
  134   1HD   PRO  24          2HD       PRO  24  -5.098  -4.769  -4.321
  135   2HD   PRO  24          1HD       PRO  24  -4.880  -5.443  -2.691
  136    H    THR  25           H        THR  25  -3.531  -5.554  -6.324
  137    HA   THR  25           HA       THR  25  -2.179  -7.232  -8.392
  138    HB   THR  25           HB       THR  25  -4.161  -4.955  -8.696
  139    HG1  THR  25           1HG      THR  25  -4.613  -7.757  -8.604
  140   1HG2  THR  25          1HG2      THR  25  -3.388  -7.223 -10.551
  141   2HG2  THR  25          2HG2      THR  25  -2.834  -5.555 -10.708
  142   3HG2  THR  25          3HG2      THR  25  -4.545  -5.939 -10.903
  143    H    TRP  26           H        TRP  26  -2.321  -3.896  -7.161
  144    HA   TRP  26           HA       TRP  26  -0.438  -2.875  -9.158
  145   1HB   TRP  26          2HB       TRP  26  -1.368  -1.668  -6.534
  146   2HB   TRP  26          1HB       TRP  26  -0.677  -0.811  -7.903
  147    HD1  TRP  26           HD       TRP  26  -2.474  -2.728  -9.992
  148    HE1  TRP  26           1HE      TRP  26  -4.919  -2.011 -10.359
  149    HE3  TRP  26           3HE      TRP  26  -3.164   0.222  -5.881
  150    HZ2  TRP  26           2HZ      TRP  26  -6.906  -0.400  -9.089
  151    HZ3  TRP  26           3HZ      TRP  26  -5.342   1.337  -5.485
  152    HH2  TRP  26           HH       TRP  26  -7.213   1.029  -7.084
  153    H    LYS  27           H        LYS  27  -0.159  -4.373  -6.022
  154    HA   LYS  27           HA       LYS  27   1.720  -4.987  -4.760
  155   1HB   LYS  27          2HB       LYS  27   2.642  -4.555  -7.532
  156   2HB   LYS  27          1HB       LYS  27   3.919  -4.482  -6.319
  157   1HG   LYS  27          2HG       LYS  27   1.948  -6.705  -6.075
  158   2HG   LYS  27          1HG       LYS  27   3.105  -6.801  -7.403
  159   1HD   LYS  27          2HD       LYS  27   4.621  -5.991  -5.179
  160   2HD   LYS  27          1HD       LYS  27   3.538  -7.242  -4.565
  161   1HE   LYS  27          2HE       LYS  27   5.141  -8.667  -5.391
  162   2HE   LYS  27          1HE       LYS  27   4.340  -8.359  -6.945
  163   1HZ   LYS  27          1HZ       LYS  27   6.751  -7.879  -7.002
  164   2HZ   LYS  27          2HZ       LYS  27   6.525  -6.686  -5.814
  165   3HZ   LYS  27          3HZ       LYS  27   5.804  -6.515  -7.344
  166    H    TRP  28           H        TRP  28   0.909  -1.863  -5.225
  167    HA   TRP  28           HA       TRP  28   3.303  -0.912  -3.690
  168   1HB   TRP  28          2HB       TRP  28   3.110   1.234  -4.849
  169   2HB   TRP  28          1HB       TRP  28   3.293  -0.068  -6.013
  170    HD1  TRP  28           HD       TRP  28   0.185   1.536  -4.304
  171    HE1  TRP  28           1HE      TRP  28  -1.523   2.083  -6.154
  172    HE3  TRP  28           3HE      TRP  28   2.778  -0.056  -8.399
  173    HZ2  TRP  28           2HZ      TRP  28  -1.760   1.877  -8.993
  174    HZ3  TRP  28           3HZ      TRP  28   1.791   0.131 -10.664
  175    HH2  TRP  28           HH       TRP  28  -0.473   1.096 -10.967
  176    H    CYS  29           H        CYS  29   2.824   0.906  -2.206
  177    HA   CYS  29           HA       CYS  29   0.521   0.399  -0.584
  178   1HB   CYS  29          2HB       CYS  29   2.551   2.635  -0.727
  179   2HB   CYS  29          1HB       CYS  29   1.315   2.557   0.529
  180    H    VAL  30           H        VAL  30  -1.451   1.384  -0.478
  181    HA   VAL  30           HA       VAL  30  -2.024   3.783  -2.167
  182    HB   VAL  30           HB       VAL  30  -4.133   2.598  -2.875
  183   1HG1  VAL  30          1HG1      VAL  30  -1.681   2.472  -3.994
  184   2HG1  VAL  30          2HG1      VAL  30  -3.094   1.686  -4.694
  185   3HG1  VAL  30          3HG1      VAL  30  -1.962   0.754  -3.715
  186   1HG2  VAL  30          1HG2      VAL  30  -2.770   0.171  -1.657
  187   2HG2  VAL  30          2HG2      VAL  30  -4.305   0.182  -2.525
  188   3HG2  VAL  30          3HG2      VAL  30  -4.171   0.989  -0.963
  189    H    TYR  31           H        TYR  31  -4.508   4.405  -1.549
  190    HA   TYR  31           HA       TYR  31  -4.536   5.136   1.212
  191   1HB   TYR  31          2HB       TYR  31  -6.511   5.013  -1.051
  192   2HB   TYR  31          1HB       TYR  31  -7.108   5.366   0.570
  193    HD1  TYR  31           1HD      TYR  31  -5.577   6.730  -2.357
  194    HD2  TYR  31           2HD      TYR  31  -5.875   7.235   1.899
  195    HE1  TYR  31           1HE      TYR  31  -4.802   9.075  -2.582
  196    HE2  TYR  31           2HE      TYR  31  -5.099   9.580   1.674
  197    HH   TYR  31           HH       TYR  31  -3.517  10.774  -0.714
  198    H    ALA  32           H        ALA  32  -5.251   4.048   3.026
  199    HA   ALA  32           HA       ALA  32  -6.030   1.212   2.722
  200   1HB   ALA  32          1HB       ALA  32  -5.525   1.114   5.072
  201   2HB   ALA  32          2HB       ALA  32  -5.669   2.863   5.239
  202   3HB   ALA  32          3HB       ALA  32  -4.312   2.171   4.349
  203    H    ARG  33           H        ARG  33  -8.193   0.942   2.252
  204    HA   ARG  33           HA       ARG  33 -10.180   1.945   4.200
  205   1HB   ARG  33          2HB       ARG  33  -9.721   3.691   2.372
  206   2HB   ARG  33          1HB       ARG  33 -10.467   2.558   1.247
  207   1HG   ARG  33          2HG       ARG  33 -12.238   3.986   1.927
  208   2HG   ARG  33          1HG       ARG  33 -12.460   2.515   2.875
  209   1HD   ARG  33          2HD       ARG  33 -11.776   3.526   4.860
  210   2HD   ARG  33          1HD       ARG  33 -10.768   4.723   4.020
  211    HE   ARG  33           HE       ARG  33 -12.728   6.024   3.581
  212   1HH1  ARG  33          1HH1      ARG  33 -13.384   4.740   6.347
  213   2HH1  ARG  33          2HH1      ARG  33 -15.047   4.321   6.097
  214   1HH2  ARG  33          1HH2      ARG  33 -14.901   4.714   2.648
  215   2HH2  ARG  33          2HH2      ARG  33 -15.907   4.306   3.997
  216    HA   PRO  34           HA       PRO  34 -10.987  -2.211   2.189
  217   1HB   PRO  34          2HB       PRO  34 -10.951  -3.692   4.492
  218   2HB   PRO  34          1HB       PRO  34  -9.497  -3.371   3.526
  219   1HG   PRO  34          2HG       PRO  34 -10.426  -2.074   6.035
  220   2HG   PRO  34          1HG       PRO  34  -8.786  -2.498   5.521
  221   1HD   PRO  34          2HD       PRO  34  -9.806   0.036   5.402
  222   2HD   PRO  34          1HD       PRO  34  -8.520  -0.565   4.332
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1  11.795   5.415   1.638
    2   2H    GLY   1          2HT       GLY   1  12.507   6.141   0.277
    3   3H    GLY   1          3HT       GLY   1  11.657   4.679   0.115
    4   1HA   GLY   1          2HA       GLY   1  10.597   7.394   0.591
    5   2HA   GLY   1          1HA       GLY   1  10.157   6.248  -0.675
    6    H    CYS   2           H        CYS   2   8.860   7.617   1.919
    7    HA   CYS   2           HA       CYS   2   7.825   5.347   3.428
    8   1HB   CYS   2          2HB       CYS   2   8.162   7.832   4.086
    9   2HB   CYS   2          1HB       CYS   2   6.641   8.123   3.243
   10    H    GLY   3           H        GLY   3   5.434   4.863   3.515
   11   1HA   GLY   3          2HA       GLY   3   4.357   4.126   1.010
   12   2HA   GLY   3          1HA       GLY   3   3.407   4.277   2.486
   13    H    GLY   4           H        GLY   4   3.697   5.448  -0.602
   14   1HA   GLY   4          2HA       GLY   4   2.095   7.868   0.091
   15   2HA   GLY   4          1HA       GLY   4   3.466   8.029  -1.008
   16    H    LEU   5           H        LEU   5   0.973   5.483  -0.742
   17    HA   LEU   5           HA       LEU   5  -0.622   4.713  -2.287
   18   1HB   LEU   5          2HB       LEU   5  -0.460   7.498  -2.583
   19   2HB   LEU   5          1HB       LEU   5  -0.398   6.862  -4.227
   20    HG   LEU   5           HG       LEU   5  -2.417   5.786  -2.276
   21   1HD1  LEU   5          1HD1      LEU   5  -2.547   8.372  -3.835
   22   2HD1  LEU   5          2HD1      LEU   5  -2.873   8.115  -2.120
   23   3HD1  LEU   5          3HD1      LEU   5  -4.001   7.508  -3.333
   24   1HD2  LEU   5          1HD2      LEU   5  -3.543   5.966  -4.781
   25   2HD2  LEU   5          2HD2      LEU   5  -2.722   4.537  -4.153
   26   3HD2  LEU   5          3HD2      LEU   5  -1.846   5.683  -5.167
   27    H    MET   6           H        MET   6   2.635   5.177  -3.071
   28    HA   MET   6           HA       MET   6   2.403   3.282  -5.333
   29   1HB   MET   6          2HB       MET   6   2.767   6.130  -5.591
   30   2HB   MET   6          1HB       MET   6   4.218   5.307  -6.165
   31   1HG   MET   6          2HG       MET   6   2.912   3.938  -7.682
   32   2HG   MET   6          1HG       MET   6   1.405   4.576  -7.024
   33   1HE   MET   6          1HE       MET   6   1.523   4.758 -10.078
   34   2HE   MET   6          2HE       MET   6   3.232   4.400  -9.849
   35   3HE   MET   6          3HE       MET   6   2.755   5.819 -10.777
   36    H    ALA   7           H        ALA   7   3.572   3.376  -2.528
   37    HA   ALA   7           HA       ALA   7   6.494   3.282  -2.978
   38   1HB   ALA   7          1HB       ALA   7   5.646   4.312  -0.962
   39   2HB   ALA   7          2HB       ALA   7   6.421   2.800  -0.490
   40   3HB   ALA   7          3HB       ALA   7   4.662   2.896  -0.592
   41    H    GLY   8           H        GLY   8   7.711   1.374  -2.966
   42   1HA   GLY   8          2HA       GLY   8   6.557  -1.064  -3.826
   43   2HA   GLY   8          1HA       GLY   8   8.171  -0.921  -3.132
   44    H    CYS   9           H        CYS   9   5.263  -2.431  -2.694
   45    HA   CYS   9           HA       CYS   9   5.695  -2.666   0.269
   46   1HB   CYS   9          2HB       CYS   9   3.310  -2.745   0.509
   47   2HB   CYS   9          1HB       CYS   9   3.640  -1.416  -0.600
   48    H    ASP  10           H        ASP  10   6.770  -4.360  -2.019
   49    HA   ASP  10           HA       ASP  10   5.431  -6.807  -2.376
   50   1HB   ASP  10          2HB       ASP  10   7.447  -6.256  -3.571
   51   2HB   ASP  10          1HB       ASP  10   8.364  -6.091  -2.073
   52    H    GLY  11           H        GLY  11   4.534  -8.011  -0.744
   53   1HA   GLY  11          2HA       GLY  11   5.561  -9.697   1.008
   54   2HA   GLY  11          1HA       GLY  11   5.936  -8.201   1.870
   55    H    LYS  12           H        LYS  12   3.923 -10.547   2.266
   56    HA   LYS  12           HA       LYS  12   1.276  -9.382   2.116
   57   1HB   LYS  12          2HB       LYS  12   0.660 -11.373   3.385
   58   2HB   LYS  12          1HB       LYS  12   1.860 -11.817   2.172
   59   1HG   LYS  12          2HG       LYS  12   3.361 -11.056   4.419
   60   2HG   LYS  12          1HG       LYS  12   2.024 -12.003   5.070
   61   1HD   LYS  12          2HD       LYS  12   2.819 -13.932   4.191
   62   2HD   LYS  12          1HD       LYS  12   3.189 -13.173   2.643
   63   1HE   LYS  12          2HE       LYS  12   4.937 -12.370   4.916
   64   2HE   LYS  12          1HE       LYS  12   5.125 -14.035   4.339
   65   1HZ   LYS  12          1HZ       LYS  12   5.763 -11.556   3.007
   66   2HZ   LYS  12          2HZ       LYS  12   4.866 -12.625   2.038
   67   3HZ   LYS  12          3HZ       LYS  12   6.343 -13.120   2.712
   68    H    SER  13           H        SER  13   3.885  -8.701   4.219
   69    HA   SER  13           HA       SER  13   2.015  -7.372   6.135
   70   1HB   SER  13          2HB       SER  13   2.941  -9.693   6.837
   71   2HB   SER  13          1HB       SER  13   4.488  -8.873   7.016
   72    HG   SER  13           HG       SER  13   3.749  -7.853   8.723
   73    H    THR  14           H        THR  14   3.351  -6.036   4.070
   74    HA   THR  14           HA       THR  14   5.927  -4.970   4.940
   75    HB   THR  14           HB       THR  14   5.060  -5.232   2.569
   76    HG1  THR  14           1HG      THR  14   6.491  -3.779   2.145
   77   1HG2  THR  14          1HG2      THR  14   3.201  -4.162   1.865
   78   2HG2  THR  14          2HG2      THR  14   3.704  -2.642   2.603
   79   3HG2  THR  14          3HG2      THR  14   2.861  -3.854   3.567
   80    H    PHE  15           H        PHE  15   5.929  -2.322   4.818
   81    HA   PHE  15           HA       PHE  15   3.768  -1.324   6.643
   82   1HB   PHE  15          2HB       PHE  15   6.700  -1.561   6.991
   83   2HB   PHE  15          1HB       PHE  15   6.013  -0.017   7.493
   84    HD1  PHE  15           1HD      PHE  15   3.521  -0.455   8.674
   85    HD2  PHE  15           2HD      PHE  15   6.921  -3.079   8.737
   86    HE1  PHE  15           1HE      PHE  15   2.668  -1.510  10.749
   87    HE2  PHE  15           2HE      PHE  15   6.067  -4.134  10.814
   88    HZ   PHE  15           HZ       PHE  15   3.940  -3.349  11.819
   89    H    CYS  16           H        CYS  16   3.241   0.882   6.373
   90    HA   CYS  16           HA       CYS  16   4.601   2.334   4.120
   91   1HB   CYS  16          2HB       CYS  16   1.645   2.049   4.768
   92   2HB   CYS  16          1HB       CYS  16   2.291   3.083   3.493
   93    H    CYS  17           H        CYS  17   3.089   4.719   4.353
   94    HA   CYS  17           HA       CYS  17   4.326   5.917   6.708
   95   1HB   CYS  17          2HB       CYS  17   3.218   6.710   4.194
   96   2HB   CYS  17          1HB       CYS  17   2.417   7.641   5.458
   97    H    SER  18           H        SER  18   0.928   6.375   5.736
   98    HA   SER  18           HA       SER  18  -0.072   5.332   8.305
   99   1HB   SER  18          2HB       SER  18  -1.003   7.587   8.907
  100   2HB   SER  18          1HB       SER  18   0.757   7.541   8.913
  101    HG   SER  18           HG       SER  18  -0.958   8.973   7.354
  102    H    GLY  19           H        GLY  19  -1.987   4.358   7.793
  103   1HA   GLY  19          2HA       GLY  19  -4.121   4.038   6.858
  104   2HA   GLY  19          1HA       GLY  19  -4.055   5.699   6.273
  105    H    TYR  20           H        TYR  20  -1.588   3.291   5.477
  106    HA   TYR  20           HA       TYR  20  -2.629   3.272   2.658
  107   1HB   TYR  20          2HB       TYR  20   0.215   3.394   3.719
  108   2HB   TYR  20          1HB       TYR  20  -0.204   3.234   2.016
  109    HD1  TYR  20           1HD      TYR  20   1.193   5.529   3.862
  110    HD2  TYR  20           2HD      TYR  20  -2.564   5.061   1.840
  111    HE1  TYR  20           1HE      TYR  20   0.977   7.992   3.693
  112    HE2  TYR  20           2HE      TYR  20  -2.780   7.525   1.671
  113    HH   TYR  20           HH       TYR  20  -0.633   9.566   1.748
  114    H    ASN  21           H        ASN  21  -2.900   1.226   1.814
  115    HA   ASN  21           HA       ASN  21  -1.769  -1.088   3.357
  116   1HB   ASN  21          2HB       ASN  21  -4.347  -0.511   2.923
  117   2HB   ASN  21          1HB       ASN  21  -4.022  -1.342   1.402
  118   1HD2  ASN  21          1HD2      ASN  21  -4.598  -1.809   4.796
  119   2HD2  ASN  21          2HD2      ASN  21  -4.367  -3.490   4.816
  120    H    CYS  22           H        CYS  22  -1.062  -2.952   2.029
  121    HA   CYS  22           HA       CYS  22   0.300  -2.057  -0.439
  122   1HB   CYS  22          2HB       CYS  22   1.562  -3.298   1.191
  123   2HB   CYS  22          1HB       CYS  22   0.335  -4.561   1.265
  124    H    SER  23           H        SER  23  -0.249  -2.714  -2.495
  125    HA   SER  23           HA       SER  23  -2.699  -4.398  -2.804
  126   1HB   SER  23          2HB       SER  23  -1.351  -2.188  -4.303
  127   2HB   SER  23          1HB       SER  23  -2.273  -3.359  -5.243
  128    HG   SER  23           HG       SER  23  -3.977  -2.341  -4.587
  129    HA   PRO  24           HA       PRO  24   0.080  -7.592  -4.203
  130   1HB   PRO  24          2HB       PRO  24  -1.841  -9.381  -4.976
  131   2HB   PRO  24          1HB       PRO  24  -1.397  -9.109  -3.280
  132   1HG   PRO  24          2HG       PRO  24  -3.727  -8.079  -4.815
  133   2HG   PRO  24          1HG       PRO  24  -3.634  -8.626  -3.134
  134   1HD   PRO  24          2HD       PRO  24  -3.673  -5.997  -3.876
  135   2HD   PRO  24          1HD       PRO  24  -2.924  -6.590  -2.377
  136    H    THR  25           H        THR  25  -2.509  -6.207  -6.159
  137    HA   THR  25           HA       THR  25  -1.539  -7.383  -8.670
  138    HB   THR  25           HB       THR  25  -3.575  -5.209  -8.078
  139    HG1  THR  25           1HG      THR  25  -4.563  -6.872  -7.253
  140   1HG2  THR  25          1HG2      THR  25  -4.487  -5.822 -10.293
  141   2HG2  THR  25          2HG2      THR  25  -3.156  -6.956 -10.521
  142   3HG2  THR  25          3HG2      THR  25  -2.832  -5.225 -10.423
  143    H    TRP  26           H        TRP  26  -1.348  -4.252  -7.007
  144    HA   TRP  26           HA       TRP  26   0.151  -3.054  -9.276
  145   1HB   TRP  26          2HB       TRP  26  -0.704  -1.914  -6.596
  146   2HB   TRP  26          1HB       TRP  26  -0.132  -0.998  -7.985
  147    HD1  TRP  26           HD       TRP  26  -1.953  -3.125  -9.933
  148    HE1  TRP  26           1HE      TRP  26  -4.439  -2.514 -10.194
  149    HE3  TRP  26           3HE      TRP  26  -2.516   0.009  -5.945
  150    HZ2  TRP  26           2HZ      TRP  26  -6.410  -0.901  -8.890
  151    HZ3  TRP  26           3HZ      TRP  26  -4.705   1.071  -5.477
  152    HH2  TRP  26           HH       TRP  26  -6.652   0.620  -6.945
  153    H    LYS  27           H        LYS  27   0.819  -4.700  -6.332
  154    HA   LYS  27           HA       LYS  27   2.832  -5.207  -5.248
  155   1HB   LYS  27          2HB       LYS  27   3.488  -4.414  -7.978
  156   2HB   LYS  27          1HB       LYS  27   4.810  -4.073  -6.862
  157   1HG   LYS  27          2HG       LYS  27   3.370  -6.736  -6.966
  158   2HG   LYS  27          1HG       LYS  27   4.844  -6.398  -7.873
  159   1HD   LYS  27          2HD       LYS  27   6.163  -6.490  -6.016
  160   2HD   LYS  27          1HD       LYS  27   4.965  -5.676  -5.008
  161   1HE   LYS  27          2HE       LYS  27   4.855  -7.808  -4.085
  162   2HE   LYS  27          1HE       LYS  27   3.656  -8.001  -5.379
  163   1HZ   LYS  27          1HZ       LYS  27   5.433  -8.760  -6.849
  164   2HZ   LYS  27          2HZ       LYS  27   5.310  -9.763  -5.484
  165   3HZ   LYS  27          3HZ       LYS  27   6.561  -8.617  -5.590
  166    H    TRP  28           H        TRP  28   1.553  -2.221  -5.244
  167    HA   TRP  28           HA       TRP  28   3.776  -1.176  -3.547
  168   1HB   TRP  28          2HB       TRP  28   3.525   1.034  -4.546
  169   2HB   TRP  28          1HB       TRP  28   3.853  -0.144  -5.806
  170    HD1  TRP  28           HD       TRP  28   0.522   1.013  -4.147
  171    HE1  TRP  28           1HE      TRP  28  -1.120   1.625  -6.031
  172    HE3  TRP  28           3HE      TRP  28   3.491   0.173  -8.214
  173    HZ2  TRP  28           2HZ      TRP  28  -1.173   1.748  -8.884
  174    HZ3  TRP  28           3HZ      TRP  28   2.620   0.548 -10.503
  175    HH2  TRP  28           HH       TRP  28   0.293   1.334 -10.843
  176    H    CYS  29           H        CYS  29   2.999   0.619  -2.079
  177    HA   CYS  29           HA       CYS  29   0.577  -0.218  -0.702
  178   1HB   CYS  29          2HB       CYS  29   2.870   0.848   0.092
  179   2HB   CYS  29          1HB       CYS  29   2.014   2.366  -0.185
  180    H    VAL  30           H        VAL  30  -1.412   0.859  -0.618
  181    HA   VAL  30           HA       VAL  30  -1.785   3.192  -2.474
  182    HB   VAL  30           HB       VAL  30  -4.005   2.184  -2.962
  183   1HG1  VAL  30          1HG1      VAL  30  -3.114   0.083  -4.097
  184   2HG1  VAL  30          2HG1      VAL  30  -1.561   0.443  -3.343
  185   3HG1  VAL  30          3HG1      VAL  30  -2.272   1.582  -4.487
  186   1HG2  VAL  30          1HG2      VAL  30  -3.149  -0.337  -1.572
  187   2HG2  VAL  30          2HG2      VAL  30  -4.774   0.217  -1.976
  188   3HG2  VAL  30          3HG2      VAL  30  -3.907   0.941  -0.623
  189    H    TYR  31           H        TYR  31  -4.339   3.905  -1.821
  190    HA   TYR  31           HA       TYR  31  -4.033   4.869   0.970
  191   1HB   TYR  31          2HB       TYR  31  -4.514   6.406  -0.924
  192   2HB   TYR  31          1HB       TYR  31  -6.020   5.542  -1.228
  193    HD1  TYR  31           1HD      TYR  31  -4.380   6.592   1.979
  194    HD2  TYR  31           2HD      TYR  31  -7.782   6.960  -0.616
  195    HE1  TYR  31           1HE      TYR  31  -5.523   7.984   3.678
  196    HE2  TYR  31           2HE      TYR  31  -8.928   8.352   1.085
  197    HH   TYR  31           HH       TYR  31  -8.332   8.441   4.087
  198    H    ALA  32           H        ALA  32  -5.301   4.121   2.637
  199    HA   ALA  32           HA       ALA  32  -7.296   1.990   2.033
  200   1HB   ALA  32          1HB       ALA  32  -5.251   2.081   3.776
  201   2HB   ALA  32          2HB       ALA  32  -6.721   1.169   4.115
  202   3HB   ALA  32          3HB       ALA  32  -6.505   2.779   4.803
  203    H    ARG  33           H        ARG  33  -9.168   2.049   3.820
  204    HA   ARG  33           HA       ARG  33 -10.108   4.720   4.567
  205   1HB   ARG  33          2HB       ARG  33 -10.748   3.527   2.002
  206   2HB   ARG  33          1HB       ARG  33 -12.217   3.776   2.945
  207   1HG   ARG  33          2HG       ARG  33 -10.570   6.087   3.274
  208   2HG   ARG  33          1HG       ARG  33 -10.661   5.729   1.550
  209   1HD   ARG  33          2HD       ARG  33 -12.647   6.871   1.667
  210   2HD   ARG  33          1HD       ARG  33 -13.275   5.347   2.323
  211    HE   ARG  33           HE       ARG  33 -12.197   7.542   4.059
  212   1HH1  ARG  33          1HH2      ARG  33 -15.199   7.153   3.529
  213   2HH1  ARG  33          2HH2      ARG  33 -15.671   6.284   4.951
  214   1HH2  ARG  33          1HH1      ARG  33 -12.416   5.451   5.842
  215   2HH2  ARG  33          2HH1      ARG  33 -14.092   5.318   6.264
  216    HA   PRO  34           HA       PRO  34 -13.368   1.556   6.017
  217   1HB   PRO  34          2HB       PRO  34 -13.272  -1.014   5.075
  218   2HB   PRO  34          1HB       PRO  34 -14.181   0.281   4.270
  219   1HG   PRO  34          2HG       PRO  34 -11.517  -0.859   3.600
  220   2HG   PRO  34          1HG       PRO  34 -12.821  -0.327   2.526
  221   1HD   PRO  34          2HD       PRO  34 -10.591   1.154   3.034
  222   2HD   PRO  34          1HD       PRO  34 -12.159   1.858   2.589